data_18475 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18475 _Entry.PDB_ID 2LTF 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 18475 _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 LYS N N 2 125.102 125.102 122.638 2.464 18475 2 1 1 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.350 -0.560 18475 3 1 1 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.440 0.909 18475 4 1 1 . 1 1 2 2 LYS CB C 2 34.348 34.348 35.030 -0.682 18475 5 1 1 . 1 1 2 2 LYS H H 2 8.576 8.576 8.043 0.533 18475 6 1 1 . 1 1 3 3 THR N N 3 118.344 118.344 115.743 2.601 18475 7 1 1 . 1 1 3 3 THR HA H 3 4.431 4.431 4.310 0.121 18475 8 1 1 . 1 1 3 3 THR CA C 3 58.999 58.999 60.196 -1.197 18475 9 1 1 . 1 1 3 3 THR CB C 3 70.310 70.310 71.175 -0.865 18475 10 1 1 . 1 1 3 3 THR H H 3 8.411 8.411 8.353 0.058 18475 11 1 1 . 1 1 4 4 PHE N N 4 119.203 119.203 124.868 -5.665 18475 12 1 1 . 1 1 4 4 PHE HA H 4 5.265 5.265 5.021 0.244 18475 13 1 1 . 1 1 4 4 PHE CA C 4 55.599 55.599 55.736 -0.137 18475 14 1 1 . 1 1 4 4 PHE CB C 4 41.521 41.521 37.912 3.609 18475 15 1 1 . 1 1 4 4 PHE H H 4 7.738 7.738 8.051 -0.313 18475 16 1 1 . 1 1 5 5 ALA N N 5 125.356 125.356 127.744 -2.388 18475 17 1 1 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.320 0.004 18475 18 1 1 . 1 1 5 5 ALA CA C 5 52.714 52.714 52.403 0.311 18475 19 1 1 . 1 1 5 5 ALA CB C 5 19.937 19.937 20.065 -0.128 18475 20 1 1 . 1 1 5 5 ALA H H 5 9.071 9.071 9.123 -0.052 18475 21 1 1 . 1 1 6 6 LEU N N 6 126.309 126.309 120.032 6.277 18475 22 1 1 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.624 -0.116 18475 23 1 1 . 1 1 6 6 LEU CA C 6 53.397 53.397 53.208 0.189 18475 24 1 1 . 1 1 6 6 LEU CB C 6 42.307 42.307 45.586 -3.279 18475 25 1 1 . 1 1 6 6 LEU H H 6 9.657 9.657 8.284 1.373 18475 26 1 1 . 1 1 7 7 GLN N N 7 119.930 119.930 120.582 -0.652 18475 27 1 1 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.142 0.035 18475 28 1 1 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.840 -0.330 18475 29 1 1 . 1 1 7 7 GLN CB C 7 27.938 27.938 29.179 -1.241 18475 30 1 1 . 1 1 7 7 GLN H H 7 8.647 8.647 8.562 0.085 18475 31 1 1 . 1 1 8 8 GLY N N 8 117.081 117.081 114.049 3.032 18475 32 1 1 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.687 -0.342 18475 33 1 1 . 1 1 8 8 GLY H H 8 9.812 9.812 8.850 0.962 18475 34 1 1 . 1 1 9 9 ASP N N 9 121.569 121.569 118.464 3.105 18475 35 1 1 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.834 -0.175 18475 36 1 1 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.171 2.468 18475 37 1 1 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.788 0.339 18475 38 1 1 . 1 1 9 9 ASP H H 9 8.085 8.085 8.250 -0.165 18475 39 1 1 . 1 1 10 10 THR N N 10 106.071 106.071 110.152 -4.081 18475 40 1 1 . 1 1 10 10 THR HA H 10 4.984 4.984 4.293 0.691 18475 41 1 1 . 1 1 10 10 THR CA C 10 58.309 58.309 61.086 -2.777 18475 42 1 1 . 1 1 10 10 THR CB C 10 72.680 72.680 70.385 2.295 18475 43 1 1 . 1 1 10 10 THR H H 10 6.920 6.920 7.547 -0.627 18475 44 1 1 . 1 1 11 11 LEU N N 11 122.591 122.591 121.393 1.198 18475 45 1 1 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.989 0.142 18475 46 1 1 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.447 -0.120 18475 47 1 1 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.794 -0.372 18475 48 1 1 . 1 1 11 11 LEU H H 11 9.621 9.621 8.617 1.004 18475 49 1 1 . 1 1 12 12 ASP N N 12 118.388 118.388 119.038 -0.650 18475 50 1 1 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.329 -0.188 18475 51 1 1 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.291 0.517 18475 52 1 1 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.828 -0.362 18475 53 1 1 . 1 1 12 12 ASP H H 12 8.561 8.561 7.949 0.612 18475 54 1 1 . 1 1 13 13 ALA N N 13 121.142 121.142 121.297 -0.155 18475 55 1 1 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.316 -0.295 18475 56 1 1 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.350 0.887 18475 57 1 1 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.281 -0.772 18475 58 1 1 . 1 1 13 13 ALA H H 13 7.870 7.870 7.637 0.233 18475 59 1 1 . 1 1 14 14 ILE N N 14 119.983 119.983 119.743 0.240 18475 60 1 1 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.660 -0.040 18475 61 1 1 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.853 0.214 18475 62 1 1 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.813 0.810 18475 63 1 1 . 1 1 14 14 ILE H H 14 8.043 8.043 8.568 -0.525 18475 64 1 1 . 1 1 15 15 CYS N N 15 117.727 117.727 116.685 1.042 18475 65 1 1 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.421 0.056 18475 66 1 1 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.221 1.200 18475 67 1 1 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.176 0.192 18475 68 1 1 . 1 1 15 15 CYS H H 15 8.477 8.477 8.628 -0.151 18475 69 1 1 . 1 1 16 16 VAL N N 16 120.808 120.808 118.846 1.962 18475 70 1 1 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.991 -0.673 18475 71 1 1 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.760 1.838 18475 72 1 1 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.426 -0.043 18475 73 1 1 . 1 1 16 16 VAL H H 16 8.477 8.477 7.902 0.575 18475 74 1 1 . 1 1 17 17 ARG N N 17 119.589 119.589 119.005 0.584 18475 75 1 1 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.186 -0.250 18475 76 1 1 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.809 1.375 18475 77 1 1 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.659 0.022 18475 78 1 1 . 1 1 17 17 ARG H H 17 7.963 7.963 8.214 -0.251 18475 79 1 1 . 1 1 18 18 TYR N N 18 113.897 113.897 117.101 -3.204 18475 80 1 1 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.381 0.000 18475 81 1 1 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.259 0.852 18475 82 1 1 . 1 1 18 18 TYR CB C 18 40.011 40.011 38.778 1.233 18475 83 1 1 . 1 1 18 18 TYR H H 18 7.833 7.833 8.359 -0.526 18475 84 1 1 . 1 1 19 19 TYR N N 19 115.270 115.270 116.896 -1.626 18475 85 1 1 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.427 0.318 18475 86 1 1 . 1 1 19 19 TYR CA C 19 58.340 58.340 60.256 -1.916 18475 87 1 1 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.359 0.531 18475 88 1 1 . 1 1 19 19 TYR H H 19 8.936 8.936 7.705 1.230 18475 89 1 1 . 1 1 20 20 GLY N N 20 108.099 108.099 105.049 3.050 18475 90 1 1 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.147 0.653 18475 91 1 1 . 1 1 20 20 GLY H H 20 7.921 7.921 8.444 -0.523 18475 92 1 1 . 1 1 21 21 ARG N N 21 115.116 115.116 117.298 -2.182 18475 93 1 1 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.688 0.045 18475 94 1 1 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.434 0.286 18475 95 1 1 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.517 -0.252 18475 96 1 1 . 1 1 21 21 ARG H H 21 7.495 7.495 7.741 -0.246 18475 97 1 1 . 1 1 22 22 THR N N 22 106.239 106.239 109.116 -2.877 18475 98 1 1 . 1 1 22 22 THR HA H 22 4.320 4.320 4.462 -0.142 18475 99 1 1 . 1 1 22 22 THR CA C 22 62.284 62.284 62.637 -0.353 18475 100 1 1 . 1 1 22 22 THR CB C 22 69.292 69.292 69.668 -0.376 18475 101 1 1 . 1 1 22 22 THR H H 22 8.162 8.162 8.327 -0.165 18475 102 1 1 . 1 1 23 23 GLU N N 23 126.964 126.964 123.574 3.390 18475 103 1 1 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.122 0.043 18475 104 1 1 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.403 1.349 18475 105 1 1 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.872 0.108 18475 106 1 1 . 1 1 23 23 GLU H H 23 8.543 8.543 8.178 0.365 18475 107 1 1 . 1 1 24 24 GLY N N 24 115.618 115.618 113.256 2.362 18475 108 1 1 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.585 0.430 18475 109 1 1 . 1 1 24 24 GLY H H 24 9.112 9.112 8.396 0.716 18475 110 1 1 . 1 1 25 25 VAL N N 25 118.084 118.084 120.302 -2.218 18475 111 1 1 . 1 1 25 25 VAL HA H 25 4.004 4.004 4.041 -0.037 18475 112 1 1 . 1 1 25 25 VAL CA C 25 63.479 63.479 64.248 -0.768 18475 113 1 1 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.909 0.974 18475 114 1 1 . 1 1 25 25 VAL H H 25 7.860 7.860 7.200 0.660 18475 115 1 1 . 1 1 26 26 VAL N N 26 121.094 121.094 118.346 2.748 18475 116 1 1 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.681 0.076 18475 117 1 1 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.538 1.323 18475 118 1 1 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.119 0.771 18475 119 1 1 . 1 1 26 26 VAL H H 26 8.101 8.101 7.846 0.255 18475 120 1 1 . 1 1 27 27 GLU N N 27 119.186 119.186 118.592 0.594 18475 121 1 1 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.107 -0.125 18475 122 1 1 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.138 1.522 18475 123 1 1 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.151 -0.695 18475 124 1 1 . 1 1 27 27 GLU H H 27 8.910 8.910 8.650 0.260 18475 125 1 1 . 1 1 28 28 THR N N 28 117.846 117.846 117.175 0.671 18475 126 1 1 . 1 1 28 28 THR HA H 28 3.980 3.980 4.043 -0.063 18475 127 1 1 . 1 1 28 28 THR CA C 28 66.119 66.119 65.771 0.348 18475 128 1 1 . 1 1 28 28 THR CB C 28 68.459 68.459 68.226 0.233 18475 129 1 1 . 1 1 28 28 THR H H 28 7.502 7.502 7.701 -0.199 18475 130 1 1 . 1 1 29 29 VAL N N 29 123.919 123.919 121.030 2.889 18475 131 1 1 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.696 -0.269 18475 132 1 1 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.268 1.131 18475 133 1 1 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.830 0.735 18475 134 1 1 . 1 1 29 29 VAL H H 29 8.025 8.025 7.779 0.246 18475 135 1 1 . 1 1 30 30 LEU N N 30 122.820 122.820 120.407 2.413 18475 136 1 1 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.128 -0.153 18475 137 1 1 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.370 1.583 18475 138 1 1 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.391 0.069 18475 139 1 1 . 1 1 30 30 LEU H H 30 8.971 8.971 7.415 1.556 18475 140 1 1 . 1 1 31 31 ALA N N 31 120.021 120.021 120.295 -0.274 18475 141 1 1 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.116 -0.018 18475 142 1 1 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.467 0.104 18475 143 1 1 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.256 -0.341 18475 144 1 1 . 1 1 31 31 ALA H H 31 7.652 7.652 7.533 0.119 18475 145 1 1 . 1 1 32 32 ALA N N 32 117.285 117.285 119.484 -2.199 18475 146 1 1 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.278 0.116 18475 147 1 1 . 1 1 32 32 ALA CA C 32 52.024 52.024 52.951 -0.927 18475 148 1 1 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.863 -0.496 18475 149 1 1 . 1 1 32 32 ALA H H 32 7.278 7.278 7.576 -0.298 18475 150 1 1 . 1 1 33 33 ASN N N 33 116.716 116.716 117.376 -0.660 18475 151 1 1 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.162 0.024 18475 152 1 1 . 1 1 33 33 ASN CA C 33 51.229 51.229 51.142 0.087 18475 153 1 1 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.187 2.226 18475 154 1 1 . 1 1 33 33 ASN H H 33 7.536 7.536 7.858 -0.322 18475 155 1 1 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.623 -0.136 18475 156 1 1 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.817 0.943 18475 157 1 1 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.059 -0.646 18475 158 1 1 . 1 1 35 35 GLY N N 35 110.626 110.626 110.959 -0.333 18475 159 1 1 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.261 0.379 18475 160 1 1 . 1 1 35 35 GLY H H 35 8.911 8.911 8.673 0.238 18475 161 1 1 . 1 1 36 36 LEU N N 36 121.614 121.614 123.049 -1.435 18475 162 1 1 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.320 -0.073 18475 163 1 1 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.512 0.212 18475 164 1 1 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.081 0.900 18475 165 1 1 . 1 1 36 36 LEU H H 36 7.974 7.974 7.500 0.474 18475 166 1 1 . 1 1 37 37 ALA N N 37 120.690 120.690 118.934 1.756 18475 167 1 1 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.162 -0.019 18475 168 1 1 . 1 1 37 37 ALA CA C 37 54.442 54.442 53.980 0.462 18475 169 1 1 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.286 0.712 18475 170 1 1 . 1 1 37 37 ALA H H 37 8.215 8.215 8.316 -0.101 18475 171 1 1 . 1 1 38 38 GLU N N 38 115.505 115.505 117.419 -1.914 18475 172 1 1 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.240 0.051 18475 173 1 1 . 1 1 38 38 GLU CA C 38 56.988 56.988 57.176 -0.188 18475 174 1 1 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.773 0.067 18475 175 1 1 . 1 1 38 38 GLU H H 38 7.982 7.982 7.777 0.205 18475 176 1 1 . 1 1 39 39 LEU N N 39 119.888 119.888 119.953 -0.065 18475 177 1 1 . 1 1 39 39 LEU HA H 39 4.269 4.269 3.962 0.307 18475 178 1 1 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.843 -0.902 18475 179 1 1 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.303 0.005 18475 180 1 1 . 1 1 39 39 LEU H H 39 7.760 7.760 7.478 0.282 18475 181 1 1 . 1 1 40 40 GLY N N 40 105.788 105.788 106.019 -0.231 18475 182 1 1 . 1 1 40 40 GLY CA C 40 44.450 44.450 45.436 -0.986 18475 183 1 1 . 1 1 40 40 GLY H H 40 7.863 7.863 7.983 -0.120 18475 184 1 1 . 1 1 41 41 ALA N N 41 120.963 120.963 125.320 -4.357 18475 185 1 1 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.270 -0.089 18475 186 1 1 . 1 1 41 41 ALA CA C 41 54.089 54.089 52.026 2.063 18475 187 1 1 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.448 -0.027 18475 188 1 1 . 1 1 41 41 ALA H H 41 7.956 7.956 7.871 0.085 18475 189 1 1 . 1 1 42 42 VAL N N 42 116.969 116.969 119.213 -2.244 18475 190 1 1 . 1 1 42 42 VAL HA H 42 4.206 4.206 3.894 0.312 18475 191 1 1 . 1 1 42 42 VAL CA C 42 61.658 61.658 63.628 -1.970 18475 192 1 1 . 1 1 42 42 VAL CB C 42 32.330 32.330 31.828 0.502 18475 193 1 1 . 1 1 42 42 VAL H H 42 7.848 7.848 8.116 -0.268 18475 194 1 1 . 1 1 43 43 LEU N N 43 129.206 129.206 127.206 2.000 18475 195 1 1 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.655 -0.184 18475 196 1 1 . 1 1 43 43 LEU CA C 43 52.410 52.410 52.034 0.376 18475 197 1 1 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.457 0.747 18475 198 1 1 . 1 1 43 43 LEU H H 43 8.764 8.764 8.270 0.494 18475 199 1 1 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.500 -0.070 18475 200 1 1 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.600 -0.174 18475 201 1 1 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.146 -0.289 18475 202 1 1 . 1 1 45 45 HIS N N 45 126.707 126.707 118.739 7.968 18475 203 1 1 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.359 -0.342 18475 204 1 1 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.325 1.422 18475 205 1 1 . 1 1 45 45 HIS CB C 45 31.007 31.007 27.992 3.015 18475 206 1 1 . 1 1 45 45 HIS H H 45 8.880 8.880 8.531 0.349 18475 207 1 1 . 1 1 46 46 GLY N N 46 115.148 115.148 113.300 1.848 18475 208 1 1 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.894 0.197 18475 209 1 1 . 1 1 46 46 GLY H H 46 9.143 9.143 8.971 0.172 18475 210 1 1 . 1 1 47 47 THR N N 47 117.455 117.455 119.130 -1.675 18475 211 1 1 . 1 1 47 47 THR HA H 47 3.919 3.919 4.186 -0.267 18475 212 1 1 . 1 1 47 47 THR CA C 47 65.329 65.329 63.523 1.806 18475 213 1 1 . 1 1 47 47 THR CB C 47 70.171 70.171 69.449 0.722 18475 214 1 1 . 1 1 47 47 THR H H 47 7.680 7.680 7.762 -0.082 18475 215 1 1 . 1 1 48 48 ALA N N 48 131.425 131.425 131.609 -0.184 18475 216 1 1 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.574 -0.106 18475 217 1 1 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.476 0.578 18475 218 1 1 . 1 1 48 48 ALA CB C 48 19.536 19.536 18.946 0.590 18475 219 1 1 . 1 1 48 48 ALA H H 48 8.777 8.777 8.625 0.152 18475 220 1 1 . 1 1 49 49 VAL N N 49 122.720 122.720 124.423 -1.703 18475 221 1 1 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.580 -0.622 18475 222 1 1 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.135 0.287 18475 223 1 1 . 1 1 49 49 VAL CB C 49 34.974 34.974 34.232 0.742 18475 224 1 1 . 1 1 49 49 VAL H H 49 8.564 8.564 7.814 0.750 18475 225 1 1 . 1 1 50 50 GLU N N 50 129.105 129.105 126.426 2.679 18475 226 1 1 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.381 -0.053 18475 227 1 1 . 1 1 50 50 GLU CA C 50 55.869 55.869 54.822 1.047 18475 228 1 1 . 1 1 50 50 GLU CB C 50 29.777 29.777 31.455 -1.678 18475 229 1 1 . 1 1 50 50 GLU H H 50 9.632 9.632 8.729 0.903 18475 230 1 1 . 1 1 51 51 LEU N N 51 126.085 126.085 126.220 -0.135 18475 231 1 1 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.805 0.139 18475 232 1 1 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.847 -0.863 18475 233 1 1 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.269 -0.350 18475 234 1 1 . 1 1 51 51 LEU H H 51 8.474 8.474 8.246 0.228 18475 235 1 1 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.563 -0.071 18475 236 1 1 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.917 -0.787 18475 237 1 1 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.150 0.437 18475 238 1 1 . 1 1 53 53 ASP N N 53 120.950 120.950 120.072 0.878 18475 239 1 1 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.439 0.236 18475 240 1 1 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.391 -0.271 18475 241 1 1 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.758 -0.268 18475 242 1 1 . 1 1 53 53 ASP H H 53 8.737 8.737 8.622 0.115 18475 243 1 1 . 1 1 54 54 VAL N N 54 121.459 121.459 118.313 3.146 18475 244 1 1 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.367 -0.170 18475 245 1 1 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.508 0.522 18475 246 1 1 . 1 1 54 54 VAL CB C 54 33.327 33.327 33.689 -0.362 18475 247 1 1 . 1 1 54 54 VAL H H 54 8.161 8.161 8.068 0.093 18475 248 1 1 . 1 1 55 55 GLN N N 55 124.703 124.703 123.198 1.505 18475 249 1 1 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.481 -0.050 18475 250 1 1 . 1 1 55 55 GLN CA C 55 56.109 56.109 55.340 0.769 18475 251 1 1 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.502 -0.018 18475 252 1 1 . 1 1 55 55 GLN H H 55 8.623 8.623 8.398 0.225 18475 253 1 1 . 1 1 56 56 THR HA H 56 4.332 4.332 4.136 0.196 18475 254 1 1 . 1 1 56 56 THR CA C 56 61.688 61.688 62.868 -1.180 18475 255 1 1 . 1 1 56 56 THR CB C 56 69.969 69.969 69.439 0.530 18475 256 1 1 . 1 1 57 57 ALA N N 57 127.534 127.534 123.575 3.959 18475 257 1 1 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.261 0.392 18475 258 1 1 . 1 1 57 57 ALA CA C 57 50.572 50.572 51.663 -1.091 18475 259 1 1 . 1 1 57 57 ALA CB C 57 18.397 18.397 17.563 0.834 18475 260 1 1 . 1 1 57 57 ALA H H 57 8.277 8.277 8.314 -0.037 18475 261 1 1 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.483 0.001 18475 262 1 1 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.687 -0.277 18475 263 1 1 . 1 1 58 58 PRO CB C 58 32.030 32.030 32.664 -0.635 18475 264 1 1 . 1 1 59 59 VAL N N 59 120.618 120.618 117.815 2.803 18475 265 1 1 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.120 -0.053 18475 266 1 1 . 1 1 59 59 VAL CA C 59 62.396 62.396 60.190 2.206 18475 267 1 1 . 1 1 59 59 VAL CB C 59 32.832 32.832 34.053 -1.221 18475 268 1 1 . 1 1 59 59 VAL H H 59 8.219 8.219 8.134 0.085 18475 269 1 1 . 1 1 60 60 ALA N N 60 127.858 127.858 128.822 -0.964 18475 270 1 1 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.169 0.153 18475 271 1 1 . 1 1 60 60 ALA CA C 60 52.641 52.641 53.434 -0.793 18475 272 1 1 . 1 1 60 60 ALA CB C 60 19.368 19.368 18.402 0.966 18475 273 1 1 . 1 1 60 60 ALA H H 60 8.399 8.399 8.241 0.158 18475 274 1 1 . 1 1 61 61 GLU N N 61 120.215 120.215 121.872 -1.657 18475 275 1 1 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.376 -0.071 18475 276 1 1 . 1 1 61 61 GLU CA C 61 56.778 56.778 55.871 0.907 18475 277 1 1 . 1 1 61 61 GLU CB C 61 30.357 30.357 32.258 -1.901 18475 278 1 1 . 1 1 61 61 GLU H H 61 8.405 8.405 8.219 0.186 18475 279 1 1 . 1 1 62 62 THR N N 62 115.392 115.392 115.534 -0.142 18475 280 1 1 . 1 1 62 62 THR HA H 62 4.327 4.327 4.793 -0.466 18475 281 1 1 . 1 1 62 62 THR CA C 62 61.984 61.984 61.584 0.400 18475 282 1 1 . 1 1 62 62 THR CB C 62 69.856 69.856 69.347 0.509 18475 283 1 1 . 1 1 62 62 THR H H 62 8.166 8.166 8.235 -0.069 18475 284 1 1 . 1 1 63 63 VAL N N 63 122.511 122.511 123.443 -0.932 18475 285 1 1 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.122 -0.075 18475 286 1 1 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.669 -0.397 18475 287 1 1 . 1 1 63 63 VAL CB C 63 32.853 32.853 34.550 -1.697 18475 288 1 1 . 1 1 63 63 VAL H H 63 8.099 8.099 8.325 -0.226 18475 289 1 1 . 1 1 64 64 ASN N N 64 122.642 122.642 124.916 -2.274 18475 290 1 1 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.309 0.314 18475 291 1 1 . 1 1 64 64 ASN CA C 64 52.901 52.901 52.158 0.743 18475 292 1 1 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.973 -0.432 18475 293 1 1 . 1 1 64 64 ASN H H 64 8.471 8.471 8.362 0.109 18475 294 1 1 . 1 1 65 65 LEU N N 65 123.365 123.365 122.101 1.264 18475 295 1 1 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.044 0.120 18475 296 1 1 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.494 1.670 18475 297 1 1 . 1 1 65 65 LEU CB C 65 41.989 41.989 41.467 0.522 18475 298 1 1 . 1 1 65 65 LEU H H 65 8.226 8.226 7.532 0.694 18475 299 1 1 . 1 1 66 66 TRP N N 66 119.270 119.270 127.166 -7.896 18475 300 1 1 . 1 1 66 66 TRP HA H 66 4.644 4.644 5.011 -0.367 18475 301 1 1 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.224 1.594 18475 302 1 1 . 1 1 66 66 TRP CB C 66 29.145 29.145 30.634 -1.489 18475 303 1 1 . 1 1 66 66 TRP H H 66 7.886 7.886 8.064 -0.178 18475 304 1 1 . 1 1 67 67 GLU N N 67 121.087 121.087 123.172 -2.085 18475 305 1 1 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.561 -0.337 18475 306 1 1 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.377 0.606 18475 307 1 1 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.649 -0.438 18475 308 1 1 . 1 1 67 67 GLU H H 67 7.982 7.982 8.545 -0.563 18475 309 1 1 . 1 1 68 68 VAL N N 68 119.603 119.603 119.992 -0.389 18475 310 1 1 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.396 -0.409 18475 311 1 1 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.629 0.200 18475 312 1 1 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.490 0.244 18475 313 1 1 . 1 1 68 68 VAL H H 68 7.836 7.836 8.156 -0.320 18475 314 1 1 . 1 1 69 69 GLU N N 69 122.754 122.754 121.963 0.791 18475 315 1 1 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.437 -0.254 18475 316 1 1 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.105 0.781 18475 317 1 1 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.774 0.462 18475 318 1 1 . 1 1 69 69 GLU H H 69 8.287 8.287 8.429 -0.142 18475 319 1 1 . 1 1 70 70 HIS N N 70 119.727 119.727 122.078 -2.351 18475 320 1 1 . 1 1 70 70 HIS H H 70 8.145 8.145 8.165 -0.020 18475 321 1 2 . 1 1 2 2 LYS N N 2 125.102 125.102 119.220 5.882 18475 322 1 2 . 1 1 2 2 LYS HA H 2 4.790 4.790 4.626 0.164 18475 323 1 2 . 1 1 2 2 LYS CA C 2 55.349 55.349 55.826 -0.477 18475 324 1 2 . 1 1 2 2 LYS CB C 2 34.348 34.348 33.590 0.758 18475 325 1 2 . 1 1 2 2 LYS H H 2 8.576 8.576 7.535 1.041 18475 326 1 2 . 1 1 3 3 THR N N 3 118.344 118.344 115.390 2.954 18475 327 1 2 . 1 1 3 3 THR HA H 3 4.431 4.431 4.206 0.225 18475 328 1 2 . 1 1 3 3 THR CA C 3 58.999 58.999 60.274 -1.275 18475 329 1 2 . 1 1 3 3 THR CB C 3 70.310 70.310 70.184 0.126 18475 330 1 2 . 1 1 3 3 THR H H 3 8.411 8.411 8.162 0.249 18475 331 1 2 . 1 1 4 4 PHE N N 4 119.203 119.203 123.988 -4.785 18475 332 1 2 . 1 1 4 4 PHE HA H 4 5.265 5.265 5.057 0.208 18475 333 1 2 . 1 1 4 4 PHE CA C 4 55.599 55.599 55.571 0.028 18475 334 1 2 . 1 1 4 4 PHE CB C 4 41.521 41.521 38.479 3.042 18475 335 1 2 . 1 1 4 4 PHE H H 4 7.738 7.738 8.089 -0.351 18475 336 1 2 . 1 1 5 5 ALA N N 5 125.356 125.356 127.465 -2.109 18475 337 1 2 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.414 -0.090 18475 338 1 2 . 1 1 5 5 ALA CA C 5 52.714 52.714 52.082 0.632 18475 339 1 2 . 1 1 5 5 ALA CB C 5 19.937 19.937 20.288 -0.351 18475 340 1 2 . 1 1 5 5 ALA H H 5 9.071 9.071 9.139 -0.068 18475 341 1 2 . 1 1 6 6 LEU N N 6 126.309 126.309 120.093 6.216 18475 342 1 2 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.647 -0.139 18475 343 1 2 . 1 1 6 6 LEU CA C 6 53.397 53.397 53.316 0.081 18475 344 1 2 . 1 1 6 6 LEU CB C 6 42.307 42.307 45.613 -3.306 18475 345 1 2 . 1 1 6 6 LEU H H 6 9.657 9.657 8.270 1.387 18475 346 1 2 . 1 1 7 7 GLN N N 7 119.930 119.930 121.910 -1.980 18475 347 1 2 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.126 0.051 18475 348 1 2 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.793 -0.283 18475 349 1 2 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.831 -0.893 18475 350 1 2 . 1 1 7 7 GLN H H 7 8.647 8.647 8.565 0.082 18475 351 1 2 . 1 1 8 8 GLY N N 8 117.081 117.081 114.575 2.506 18475 352 1 2 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.763 -0.418 18475 353 1 2 . 1 1 8 8 GLY H H 8 9.812 9.812 8.999 0.813 18475 354 1 2 . 1 1 9 9 ASP N N 9 121.569 121.569 118.859 2.710 18475 355 1 2 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.904 -0.245 18475 356 1 2 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.539 2.100 18475 357 1 2 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.634 0.493 18475 358 1 2 . 1 1 9 9 ASP H H 9 8.085 8.085 8.563 -0.478 18475 359 1 2 . 1 1 10 10 THR N N 10 106.071 106.071 110.903 -4.832 18475 360 1 2 . 1 1 10 10 THR HA H 10 4.984 4.984 4.364 0.620 18475 361 1 2 . 1 1 10 10 THR CA C 10 58.309 58.309 61.041 -2.732 18475 362 1 2 . 1 1 10 10 THR CB C 10 72.680 72.680 70.493 2.187 18475 363 1 2 . 1 1 10 10 THR H H 10 6.920 6.920 7.459 -0.539 18475 364 1 2 . 1 1 11 11 LEU N N 11 122.591 122.591 119.880 2.711 18475 365 1 2 . 1 1 11 11 LEU HA H 11 4.131 4.131 4.004 0.127 18475 366 1 2 . 1 1 11 11 LEU CA C 11 58.327 58.327 59.683 -1.356 18475 367 1 2 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.536 -0.114 18475 368 1 2 . 1 1 11 11 LEU H H 11 9.621 9.621 8.705 0.916 18475 369 1 2 . 1 1 12 12 ASP N N 12 118.388 118.388 118.504 -0.116 18475 370 1 2 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.290 -0.149 18475 371 1 2 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.297 0.512 18475 372 1 2 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.551 -0.085 18475 373 1 2 . 1 1 12 12 ASP H H 12 8.561 8.561 8.013 0.548 18475 374 1 2 . 1 1 13 13 ALA N N 13 121.142 121.142 120.630 0.512 18475 375 1 2 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.328 -0.307 18475 376 1 2 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.060 1.177 18475 377 1 2 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.652 -1.143 18475 378 1 2 . 1 1 13 13 ALA H H 13 7.870 7.870 7.661 0.209 18475 379 1 2 . 1 1 14 14 ILE N N 14 119.983 119.983 119.368 0.615 18475 380 1 2 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.631 -0.011 18475 381 1 2 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.906 0.160 18475 382 1 2 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.902 0.721 18475 383 1 2 . 1 1 14 14 ILE H H 14 8.043 8.043 8.591 -0.548 18475 384 1 2 . 1 1 15 15 CYS N N 15 117.727 117.727 116.351 1.376 18475 385 1 2 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.393 0.084 18475 386 1 2 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.158 1.263 18475 387 1 2 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.191 0.177 18475 388 1 2 . 1 1 15 15 CYS H H 15 8.477 8.477 8.546 -0.069 18475 389 1 2 . 1 1 16 16 VAL N N 16 120.808 120.808 119.386 1.422 18475 390 1 2 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.009 -0.691 18475 391 1 2 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.885 1.713 18475 392 1 2 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.593 -0.210 18475 393 1 2 . 1 1 16 16 VAL H H 16 8.477 8.477 8.100 0.377 18475 394 1 2 . 1 1 17 17 ARG N N 17 119.589 119.589 119.685 -0.096 18475 395 1 2 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.182 -0.246 18475 396 1 2 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.483 1.700 18475 397 1 2 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.106 0.575 18475 398 1 2 . 1 1 17 17 ARG H H 17 7.963 7.963 8.113 -0.150 18475 399 1 2 . 1 1 18 18 TYR N N 18 113.897 113.897 118.082 -4.185 18475 400 1 2 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.371 0.010 18475 401 1 2 . 1 1 18 18 TYR CA C 18 61.111 61.111 59.936 1.175 18475 402 1 2 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.726 0.285 18475 403 1 2 . 1 1 18 18 TYR H H 18 7.833 7.833 8.114 -0.281 18475 404 1 2 . 1 1 19 19 TYR N N 19 115.270 115.270 115.993 -0.723 18475 405 1 2 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.674 0.071 18475 406 1 2 . 1 1 19 19 TYR CA C 19 58.340 58.340 59.266 -0.926 18475 407 1 2 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.285 0.605 18475 408 1 2 . 1 1 19 19 TYR H H 19 8.936 8.936 7.687 1.249 18475 409 1 2 . 1 1 20 20 GLY N N 20 108.099 108.099 105.290 2.809 18475 410 1 2 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.189 0.611 18475 411 1 2 . 1 1 20 20 GLY H H 20 7.921 7.921 8.429 -0.508 18475 412 1 2 . 1 1 21 21 ARG N N 21 115.116 115.116 118.018 -2.902 18475 413 1 2 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.636 0.097 18475 414 1 2 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.665 0.055 18475 415 1 2 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.431 -0.167 18475 416 1 2 . 1 1 21 21 ARG H H 21 7.495 7.495 7.753 -0.258 18475 417 1 2 . 1 1 22 22 THR N N 22 106.239 106.239 109.872 -3.633 18475 418 1 2 . 1 1 22 22 THR HA H 22 4.320 4.320 4.374 -0.054 18475 419 1 2 . 1 1 22 22 THR CA C 22 62.284 62.284 61.849 0.435 18475 420 1 2 . 1 1 22 22 THR CB C 22 69.292 69.292 69.603 -0.311 18475 421 1 2 . 1 1 22 22 THR H H 22 8.162 8.162 8.274 -0.112 18475 422 1 2 . 1 1 23 23 GLU N N 23 126.964 126.964 122.724 4.240 18475 423 1 2 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.079 0.086 18475 424 1 2 . 1 1 23 23 GLU CA C 23 58.752 58.752 56.995 1.756 18475 425 1 2 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.719 0.261 18475 426 1 2 . 1 1 23 23 GLU H H 23 8.543 8.543 8.192 0.351 18475 427 1 2 . 1 1 24 24 GLY N N 24 115.618 115.618 113.972 1.646 18475 428 1 2 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.740 0.275 18475 429 1 2 . 1 1 24 24 GLY H H 24 9.112 9.112 8.493 0.619 18475 430 1 2 . 1 1 25 25 VAL N N 25 118.084 118.084 120.580 -2.496 18475 431 1 2 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.977 0.027 18475 432 1 2 . 1 1 25 25 VAL CA C 25 63.479 63.479 64.097 -0.618 18475 433 1 2 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.476 1.407 18475 434 1 2 . 1 1 25 25 VAL H H 25 7.860 7.860 7.413 0.447 18475 435 1 2 . 1 1 26 26 VAL N N 26 121.094 121.094 117.776 3.318 18475 436 1 2 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.672 0.085 18475 437 1 2 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.770 1.091 18475 438 1 2 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.846 1.044 18475 439 1 2 . 1 1 26 26 VAL H H 26 8.101 8.101 8.157 -0.056 18475 440 1 2 . 1 1 27 27 GLU N N 27 119.186 119.186 119.153 0.033 18475 441 1 2 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.063 -0.081 18475 442 1 2 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.505 1.155 18475 443 1 2 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.126 -0.670 18475 444 1 2 . 1 1 27 27 GLU H H 27 8.910 8.910 8.762 0.148 18475 445 1 2 . 1 1 28 28 THR N N 28 117.846 117.846 116.841 1.005 18475 446 1 2 . 1 1 28 28 THR HA H 28 3.980 3.980 3.968 0.012 18475 447 1 2 . 1 1 28 28 THR CA C 28 66.119 66.119 66.120 -0.001 18475 448 1 2 . 1 1 28 28 THR CB C 28 68.459 68.459 68.685 -0.226 18475 449 1 2 . 1 1 28 28 THR H H 28 7.502 7.502 7.664 -0.162 18475 450 1 2 . 1 1 29 29 VAL N N 29 123.919 123.919 121.856 2.063 18475 451 1 2 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.710 -0.283 18475 452 1 2 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.399 1.000 18475 453 1 2 . 1 1 29 29 VAL CB C 29 31.565 31.565 31.233 0.332 18475 454 1 2 . 1 1 29 29 VAL H H 29 8.025 8.025 7.570 0.455 18475 455 1 2 . 1 1 30 30 LEU N N 30 122.820 122.820 119.948 2.872 18475 456 1 2 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.969 0.006 18475 457 1 2 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.773 1.179 18475 458 1 2 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.517 -0.057 18475 459 1 2 . 1 1 30 30 LEU H H 30 8.971 8.971 8.046 0.925 18475 460 1 2 . 1 1 31 31 ALA N N 31 120.021 120.021 119.737 0.284 18475 461 1 2 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.050 0.048 18475 462 1 2 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.303 0.268 18475 463 1 2 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.166 -0.251 18475 464 1 2 . 1 1 31 31 ALA H H 31 7.652 7.652 7.417 0.235 18475 465 1 2 . 1 1 32 32 ALA N N 32 117.285 117.285 120.657 -3.372 18475 466 1 2 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.092 0.302 18475 467 1 2 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.285 -1.261 18475 468 1 2 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.632 -0.265 18475 469 1 2 . 1 1 32 32 ALA H H 32 7.278 7.278 7.629 -0.351 18475 470 1 2 . 1 1 33 33 ASN N N 33 116.716 116.716 116.832 -0.116 18475 471 1 2 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.207 -0.021 18475 472 1 2 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.529 0.700 18475 473 1 2 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.465 1.948 18475 474 1 2 . 1 1 33 33 ASN H H 33 7.536 7.536 7.958 -0.422 18475 475 1 2 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.531 -0.044 18475 476 1 2 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.889 0.872 18475 477 1 2 . 1 1 34 34 PRO CB C 34 31.414 31.414 31.969 -0.555 18475 478 1 2 . 1 1 35 35 GLY N N 35 110.626 110.626 111.567 -0.941 18475 479 1 2 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.130 0.510 18475 480 1 2 . 1 1 35 35 GLY H H 35 8.911 8.911 8.698 0.213 18475 481 1 2 . 1 1 36 36 LEU N N 36 121.614 121.614 122.447 -0.833 18475 482 1 2 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.328 -0.081 18475 483 1 2 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.499 0.225 18475 484 1 2 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.741 0.240 18475 485 1 2 . 1 1 36 36 LEU H H 36 7.974 7.974 7.460 0.514 18475 486 1 2 . 1 1 37 37 ALA N N 37 120.690 120.690 120.650 0.040 18475 487 1 2 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.026 0.117 18475 488 1 2 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.414 0.028 18475 489 1 2 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.463 0.535 18475 490 1 2 . 1 1 37 37 ALA H H 37 8.215 8.215 8.570 -0.355 18475 491 1 2 . 1 1 38 38 GLU N N 38 115.505 115.505 115.987 -0.482 18475 492 1 2 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.225 0.066 18475 493 1 2 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.787 0.201 18475 494 1 2 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.578 0.261 18475 495 1 2 . 1 1 38 38 GLU H H 38 7.982 7.982 7.628 0.354 18475 496 1 2 . 1 1 39 39 LEU N N 39 119.888 119.888 121.137 -1.249 18475 497 1 2 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.031 0.238 18475 498 1 2 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.637 -0.697 18475 499 1 2 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.385 -0.077 18475 500 1 2 . 1 1 39 39 LEU H H 39 7.760 7.760 7.744 0.016 18475 501 1 2 . 1 1 40 40 GLY N N 40 105.788 105.788 103.939 1.849 18475 502 1 2 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.303 0.147 18475 503 1 2 . 1 1 40 40 GLY H H 40 7.863 7.863 7.671 0.192 18475 504 1 2 . 1 1 41 41 ALA N N 41 120.963 120.963 123.025 -2.062 18475 505 1 2 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.353 -0.172 18475 506 1 2 . 1 1 41 41 ALA CA C 41 54.089 54.089 53.219 0.869 18475 507 1 2 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.069 0.352 18475 508 1 2 . 1 1 41 41 ALA H H 41 7.956 7.956 8.258 -0.302 18475 509 1 2 . 1 1 42 42 VAL N N 42 116.969 116.969 119.572 -2.603 18475 510 1 2 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.090 0.116 18475 511 1 2 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.791 -0.133 18475 512 1 2 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.797 -0.467 18475 513 1 2 . 1 1 42 42 VAL H H 42 7.848 7.848 7.755 0.093 18475 514 1 2 . 1 1 43 43 LEU N N 43 129.206 129.206 127.555 1.651 18475 515 1 2 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.537 -0.066 18475 516 1 2 . 1 1 43 43 LEU CA C 43 52.410 52.410 52.910 -0.500 18475 517 1 2 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.540 0.664 18475 518 1 2 . 1 1 43 43 LEU H H 43 8.764 8.764 8.254 0.510 18475 519 1 2 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.514 -0.084 18475 520 1 2 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.492 -0.067 18475 521 1 2 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.329 -0.472 18475 522 1 2 . 1 1 45 45 HIS N N 45 126.707 126.707 118.987 7.720 18475 523 1 2 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.430 -0.413 18475 524 1 2 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.331 1.416 18475 525 1 2 . 1 1 45 45 HIS CB C 45 31.007 31.007 27.980 3.027 18475 526 1 2 . 1 1 45 45 HIS H H 45 8.880 8.880 8.573 0.307 18475 527 1 2 . 1 1 46 46 GLY N N 46 115.148 115.148 113.604 1.544 18475 528 1 2 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.942 0.149 18475 529 1 2 . 1 1 46 46 GLY H H 46 9.143 9.143 9.004 0.139 18475 530 1 2 . 1 1 47 47 THR N N 47 117.455 117.455 119.096 -1.641 18475 531 1 2 . 1 1 47 47 THR HA H 47 3.919 3.919 4.260 -0.341 18475 532 1 2 . 1 1 47 47 THR CA C 47 65.329 65.329 64.111 1.218 18475 533 1 2 . 1 1 47 47 THR CB C 47 70.171 70.171 69.512 0.659 18475 534 1 2 . 1 1 47 47 THR H H 47 7.680 7.680 7.892 -0.212 18475 535 1 2 . 1 1 48 48 ALA N N 48 131.425 131.425 131.398 0.027 18475 536 1 2 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.568 -0.100 18475 537 1 2 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.425 0.629 18475 538 1 2 . 1 1 48 48 ALA CB C 48 19.536 19.536 18.936 0.600 18475 539 1 2 . 1 1 48 48 ALA H H 48 8.777 8.777 8.634 0.143 18475 540 1 2 . 1 1 49 49 VAL N N 49 122.720 122.720 124.673 -1.953 18475 541 1 2 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.255 -0.297 18475 542 1 2 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.282 0.140 18475 543 1 2 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.154 -0.180 18475 544 1 2 . 1 1 49 49 VAL H H 49 8.564 8.564 7.831 0.733 18475 545 1 2 . 1 1 50 50 GLU N N 50 129.105 129.105 126.129 2.976 18475 546 1 2 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.459 -0.131 18475 547 1 2 . 1 1 50 50 GLU CA C 50 55.869 55.869 55.362 0.507 18475 548 1 2 . 1 1 50 50 GLU CB C 50 29.777 29.777 31.391 -1.614 18475 549 1 2 . 1 1 50 50 GLU H H 50 9.632 9.632 8.570 1.062 18475 550 1 2 . 1 1 51 51 LEU N N 51 126.085 126.085 125.769 0.316 18475 551 1 2 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.720 0.224 18475 552 1 2 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.604 -0.620 18475 553 1 2 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.270 -0.352 18475 554 1 2 . 1 1 51 51 LEU H H 51 8.474 8.474 8.426 0.048 18475 555 1 2 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.507 -0.015 18475 556 1 2 . 1 1 52 52 PRO CA C 52 62.130 62.130 63.127 -0.997 18475 557 1 2 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.206 0.381 18475 558 1 2 . 1 1 53 53 ASP N N 53 120.950 120.950 117.503 3.447 18475 559 1 2 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.383 0.292 18475 560 1 2 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.547 -0.427 18475 561 1 2 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.214 0.276 18475 562 1 2 . 1 1 53 53 ASP H H 53 8.737 8.737 8.633 0.104 18475 563 1 2 . 1 1 54 54 VAL N N 54 121.459 121.459 118.923 2.536 18475 564 1 2 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.316 -0.119 18475 565 1 2 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.514 0.516 18475 566 1 2 . 1 1 54 54 VAL CB C 54 33.327 33.327 32.791 0.536 18475 567 1 2 . 1 1 54 54 VAL H H 54 8.161 8.161 7.888 0.273 18475 568 1 2 . 1 1 55 55 GLN N N 55 124.703 124.703 122.923 1.780 18475 569 1 2 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.597 -0.166 18475 570 1 2 . 1 1 55 55 GLN CA C 55 56.109 56.109 54.589 1.520 18475 571 1 2 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.696 -0.212 18475 572 1 2 . 1 1 55 55 GLN H H 55 8.623 8.623 8.358 0.265 18475 573 1 2 . 1 1 56 56 THR HA H 56 4.332 4.332 4.072 0.260 18475 574 1 2 . 1 1 56 56 THR CA C 56 61.688 61.688 63.164 -1.476 18475 575 1 2 . 1 1 56 56 THR CB C 56 69.969 69.969 69.304 0.665 18475 576 1 2 . 1 1 57 57 ALA N N 57 127.534 127.534 128.226 -0.692 18475 577 1 2 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.780 -0.127 18475 578 1 2 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.126 0.446 18475 579 1 2 . 1 1 57 57 ALA CB C 57 18.397 18.397 20.173 -1.776 18475 580 1 2 . 1 1 57 57 ALA H H 57 8.277 8.277 8.353 -0.076 18475 581 1 2 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.548 -0.064 18475 582 1 2 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.263 0.147 18475 583 1 2 . 1 1 58 58 PRO CB C 58 32.030 32.030 32.247 -0.217 18475 584 1 2 . 1 1 59 59 VAL N N 59 120.618 120.618 119.090 1.528 18475 585 1 2 . 1 1 59 59 VAL HA H 59 4.067 4.067 3.826 0.241 18475 586 1 2 . 1 1 59 59 VAL CA C 59 62.396 62.396 63.771 -1.375 18475 587 1 2 . 1 1 59 59 VAL CB C 59 32.832 32.832 31.548 1.284 18475 588 1 2 . 1 1 59 59 VAL H H 59 8.219 8.219 8.330 -0.111 18475 589 1 2 . 1 1 60 60 ALA N N 60 127.858 127.858 129.854 -1.996 18475 590 1 2 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.484 -0.162 18475 591 1 2 . 1 1 60 60 ALA CA C 60 52.641 52.641 51.585 1.056 18475 592 1 2 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.754 -0.386 18475 593 1 2 . 1 1 60 60 ALA H H 60 8.399 8.399 7.846 0.553 18475 594 1 2 . 1 1 61 61 GLU N N 61 120.215 120.215 119.708 0.507 18475 595 1 2 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.301 0.004 18475 596 1 2 . 1 1 61 61 GLU CA C 61 56.778 56.778 57.377 -0.599 18475 597 1 2 . 1 1 61 61 GLU CB C 61 30.357 30.357 30.360 -0.003 18475 598 1 2 . 1 1 61 61 GLU H H 61 8.405 8.405 8.485 -0.080 18475 599 1 2 . 1 1 62 62 THR N N 62 115.392 115.392 114.485 0.907 18475 600 1 2 . 1 1 62 62 THR HA H 62 4.327 4.327 4.600 -0.273 18475 601 1 2 . 1 1 62 62 THR CA C 62 61.984 61.984 61.175 0.809 18475 602 1 2 . 1 1 62 62 THR CB C 62 69.856 69.856 69.596 0.261 18475 603 1 2 . 1 1 62 62 THR H H 62 8.166 8.166 7.880 0.286 18475 604 1 2 . 1 1 63 63 VAL N N 63 122.511 122.511 125.579 -3.068 18475 605 1 2 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.344 -0.297 18475 606 1 2 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.741 -0.469 18475 607 1 2 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.135 -0.282 18475 608 1 2 . 1 1 63 63 VAL H H 63 8.099 8.099 8.339 -0.240 18475 609 1 2 . 1 1 64 64 ASN N N 64 122.642 122.642 121.417 1.225 18475 610 1 2 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.645 -0.022 18475 611 1 2 . 1 1 64 64 ASN CA C 64 52.901 52.901 52.998 -0.097 18475 612 1 2 . 1 1 64 64 ASN CB C 64 38.541 38.541 36.487 2.054 18475 613 1 2 . 1 1 64 64 ASN H H 64 8.471 8.471 8.386 0.085 18475 614 1 2 . 1 1 65 65 LEU N N 65 123.365 123.365 120.468 2.897 18475 615 1 2 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.203 -0.039 18475 616 1 2 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.107 2.057 18475 617 1 2 . 1 1 65 65 LEU CB C 65 41.989 41.989 45.613 -3.624 18475 618 1 2 . 1 1 65 65 LEU H H 65 8.226 8.226 7.889 0.337 18475 619 1 2 . 1 1 66 66 TRP N N 66 119.270 119.270 122.823 -3.553 18475 620 1 2 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.469 0.175 18475 621 1 2 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.477 0.341 18475 622 1 2 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.270 -0.124 18475 623 1 2 . 1 1 66 66 TRP H H 66 7.886 7.886 8.112 -0.226 18475 624 1 2 . 1 1 67 67 GLU N N 67 121.087 121.087 126.613 -5.526 18475 625 1 2 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.692 -0.468 18475 626 1 2 . 1 1 67 67 GLU CA C 67 56.983 56.983 55.868 1.115 18475 627 1 2 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.809 -0.598 18475 628 1 2 . 1 1 67 67 GLU H H 67 7.982 7.982 8.633 -0.651 18475 629 1 2 . 1 1 68 68 VAL N N 68 119.603 119.603 122.307 -2.704 18475 630 1 2 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.346 -0.359 18475 631 1 2 . 1 1 68 68 VAL CA C 68 62.829 62.829 61.913 0.916 18475 632 1 2 . 1 1 68 68 VAL CB C 68 32.734 32.734 31.770 0.964 18475 633 1 2 . 1 1 68 68 VAL H H 68 7.836 7.836 8.448 -0.612 18475 634 1 2 . 1 1 69 69 GLU N N 69 122.754 122.754 123.583 -0.829 18475 635 1 2 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.478 -0.295 18475 636 1 2 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.417 0.469 18475 637 1 2 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.019 1.217 18475 638 1 2 . 1 1 69 69 GLU H H 69 8.287 8.287 7.734 0.553 18475 639 1 2 . 1 1 70 70 HIS N N 70 119.727 119.727 120.966 -1.239 18475 640 1 2 . 1 1 70 70 HIS H H 70 8.145 8.145 8.664 -0.519 18475 641 1 3 . 1 1 2 2 LYS N N 2 125.102 125.102 122.980 2.122 18475 642 1 3 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.387 -0.597 18475 643 1 3 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.513 0.836 18475 644 1 3 . 1 1 2 2 LYS CB C 2 34.348 34.348 36.203 -1.855 18475 645 1 3 . 1 1 2 2 LYS H H 2 8.576 8.576 8.050 0.526 18475 646 1 3 . 1 1 3 3 THR N N 3 118.344 118.344 114.376 3.968 18475 647 1 3 . 1 1 3 3 THR HA H 3 4.431 4.431 4.304 0.127 18475 648 1 3 . 1 1 3 3 THR CA C 3 58.999 58.999 60.194 -1.194 18475 649 1 3 . 1 1 3 3 THR CB C 3 70.310 70.310 70.334 -0.024 18475 650 1 3 . 1 1 3 3 THR H H 3 8.411 8.411 8.591 -0.180 18475 651 1 3 . 1 1 4 4 PHE N N 4 119.203 119.203 123.241 -4.038 18475 652 1 3 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.738 0.527 18475 653 1 3 . 1 1 4 4 PHE CA C 4 55.599 55.599 57.240 -1.641 18475 654 1 3 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.233 2.288 18475 655 1 3 . 1 1 4 4 PHE H H 4 7.738 7.738 8.206 -0.468 18475 656 1 3 . 1 1 5 5 ALA N N 5 125.356 125.356 127.282 -1.926 18475 657 1 3 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.522 -0.198 18475 658 1 3 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.759 0.955 18475 659 1 3 . 1 1 5 5 ALA CB C 5 19.937 19.937 20.671 -0.734 18475 660 1 3 . 1 1 5 5 ALA H H 5 9.071 9.071 9.019 0.052 18475 661 1 3 . 1 1 6 6 LEU N N 6 126.309 126.309 119.473 6.836 18475 662 1 3 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.857 -0.349 18475 663 1 3 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.880 0.517 18475 664 1 3 . 1 1 6 6 LEU CB C 6 42.307 42.307 46.184 -3.877 18475 665 1 3 . 1 1 6 6 LEU H H 6 9.657 9.657 8.088 1.569 18475 666 1 3 . 1 1 7 7 GLN N N 7 119.930 119.930 121.843 -1.913 18475 667 1 3 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.157 0.020 18475 668 1 3 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.274 0.236 18475 669 1 3 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.319 -0.381 18475 670 1 3 . 1 1 7 7 GLN H H 7 8.647 8.647 8.772 -0.125 18475 671 1 3 . 1 1 8 8 GLY N N 8 117.081 117.081 113.533 3.548 18475 672 1 3 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.774 -0.429 18475 673 1 3 . 1 1 8 8 GLY H H 8 9.812 9.812 9.009 0.803 18475 674 1 3 . 1 1 9 9 ASP N N 9 121.569 121.569 118.948 2.621 18475 675 1 3 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.942 -0.283 18475 676 1 3 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.329 2.310 18475 677 1 3 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.888 0.239 18475 678 1 3 . 1 1 9 9 ASP H H 9 8.085 8.085 8.374 -0.289 18475 679 1 3 . 1 1 10 10 THR N N 10 106.071 106.071 111.770 -5.699 18475 680 1 3 . 1 1 10 10 THR HA H 10 4.984 4.984 4.315 0.669 18475 681 1 3 . 1 1 10 10 THR CA C 10 58.309 58.309 61.120 -2.811 18475 682 1 3 . 1 1 10 10 THR CB C 10 72.680 72.680 70.070 2.610 18475 683 1 3 . 1 1 10 10 THR H H 10 6.920 6.920 7.484 -0.564 18475 684 1 3 . 1 1 11 11 LEU N N 11 122.591 122.591 120.403 2.188 18475 685 1 3 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.945 0.186 18475 686 1 3 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.292 0.035 18475 687 1 3 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.347 0.075 18475 688 1 3 . 1 1 11 11 LEU H H 11 9.621 9.621 8.508 1.113 18475 689 1 3 . 1 1 12 12 ASP N N 12 118.388 118.388 119.498 -1.110 18475 690 1 3 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.333 -0.192 18475 691 1 3 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.485 0.324 18475 692 1 3 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.951 -0.485 18475 693 1 3 . 1 1 12 12 ASP H H 12 8.561 8.561 7.957 0.604 18475 694 1 3 . 1 1 13 13 ALA N N 13 121.142 121.142 121.704 -0.562 18475 695 1 3 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.305 -0.284 18475 696 1 3 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.233 1.004 18475 697 1 3 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.592 -1.083 18475 698 1 3 . 1 1 13 13 ALA H H 13 7.870 7.870 7.657 0.213 18475 699 1 3 . 1 1 14 14 ILE N N 14 119.983 119.983 119.519 0.464 18475 700 1 3 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.616 0.004 18475 701 1 3 . 1 1 14 14 ILE CA C 14 66.066 66.066 66.024 0.042 18475 702 1 3 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.910 0.713 18475 703 1 3 . 1 1 14 14 ILE H H 14 8.043 8.043 8.500 -0.457 18475 704 1 3 . 1 1 15 15 CYS N N 15 117.727 117.727 116.421 1.306 18475 705 1 3 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.293 0.184 18475 706 1 3 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.090 1.331 18475 707 1 3 . 1 1 15 15 CYS CB C 15 26.368 26.368 27.500 -1.133 18475 708 1 3 . 1 1 15 15 CYS H H 15 8.477 8.477 8.605 -0.128 18475 709 1 3 . 1 1 16 16 VAL N N 16 120.808 120.808 119.603 1.205 18475 710 1 3 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.994 -0.676 18475 711 1 3 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.697 1.901 18475 712 1 3 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.710 -0.327 18475 713 1 3 . 1 1 16 16 VAL H H 16 8.477 8.477 8.042 0.435 18475 714 1 3 . 1 1 17 17 ARG N N 17 119.589 119.589 119.516 0.073 18475 715 1 3 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.203 -0.267 18475 716 1 3 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.657 1.527 18475 717 1 3 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.127 0.554 18475 718 1 3 . 1 1 17 17 ARG H H 17 7.963 7.963 8.265 -0.302 18475 719 1 3 . 1 1 18 18 TYR N N 18 113.897 113.897 117.295 -3.398 18475 720 1 3 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.304 0.077 18475 721 1 3 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.362 0.749 18475 722 1 3 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.761 0.250 18475 723 1 3 . 1 1 18 18 TYR H H 18 7.833 7.833 8.101 -0.268 18475 724 1 3 . 1 1 19 19 TYR N N 19 115.270 115.270 113.962 1.308 18475 725 1 3 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.588 0.157 18475 726 1 3 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.449 -0.109 18475 727 1 3 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.711 0.179 18475 728 1 3 . 1 1 19 19 TYR H H 19 8.936 8.936 7.649 1.287 18475 729 1 3 . 1 1 20 20 GLY N N 20 108.099 108.099 106.305 1.794 18475 730 1 3 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.128 0.672 18475 731 1 3 . 1 1 20 20 GLY H H 20 7.921 7.921 8.554 -0.633 18475 732 1 3 . 1 1 21 21 ARG N N 21 115.116 115.116 117.285 -2.169 18475 733 1 3 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.616 0.117 18475 734 1 3 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.702 0.018 18475 735 1 3 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.475 -0.210 18475 736 1 3 . 1 1 21 21 ARG H H 21 7.495 7.495 7.859 -0.364 18475 737 1 3 . 1 1 22 22 THR N N 22 106.239 106.239 109.043 -2.804 18475 738 1 3 . 1 1 22 22 THR HA H 22 4.320 4.320 4.419 -0.099 18475 739 1 3 . 1 1 22 22 THR CA C 22 62.284 62.284 62.036 0.248 18475 740 1 3 . 1 1 22 22 THR CB C 22 69.292 69.292 69.812 -0.520 18475 741 1 3 . 1 1 22 22 THR H H 22 8.162 8.162 8.309 -0.147 18475 742 1 3 . 1 1 23 23 GLU N N 23 126.964 126.964 122.591 4.373 18475 743 1 3 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.111 0.054 18475 744 1 3 . 1 1 23 23 GLU CA C 23 58.752 58.752 56.781 1.971 18475 745 1 3 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.982 -0.002 18475 746 1 3 . 1 1 23 23 GLU H H 23 8.543 8.543 8.169 0.374 18475 747 1 3 . 1 1 24 24 GLY N N 24 115.618 115.618 113.637 1.981 18475 748 1 3 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.828 0.187 18475 749 1 3 . 1 1 24 24 GLY H H 24 9.112 9.112 8.434 0.678 18475 750 1 3 . 1 1 25 25 VAL N N 25 118.084 118.084 120.340 -2.256 18475 751 1 3 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.986 0.018 18475 752 1 3 . 1 1 25 25 VAL CA C 25 63.479 63.479 64.501 -1.022 18475 753 1 3 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.788 1.095 18475 754 1 3 . 1 1 25 25 VAL H H 25 7.860 7.860 7.225 0.635 18475 755 1 3 . 1 1 26 26 VAL N N 26 121.094 121.094 117.828 3.266 18475 756 1 3 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.723 0.034 18475 757 1 3 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.429 1.432 18475 758 1 3 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.161 0.729 18475 759 1 3 . 1 1 26 26 VAL H H 26 8.101 8.101 7.867 0.234 18475 760 1 3 . 1 1 27 27 GLU N N 27 119.186 119.186 118.907 0.279 18475 761 1 3 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.126 -0.144 18475 762 1 3 . 1 1 27 27 GLU CA C 27 60.660 60.660 58.865 1.795 18475 763 1 3 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.086 -0.630 18475 764 1 3 . 1 1 27 27 GLU H H 27 8.910 8.910 8.630 0.280 18475 765 1 3 . 1 1 28 28 THR N N 28 117.846 117.846 117.378 0.468 18475 766 1 3 . 1 1 28 28 THR HA H 28 3.980 3.980 4.019 -0.039 18475 767 1 3 . 1 1 28 28 THR CA C 28 66.119 66.119 66.315 -0.196 18475 768 1 3 . 1 1 28 28 THR CB C 28 68.459 68.459 68.685 -0.226 18475 769 1 3 . 1 1 28 28 THR H H 28 7.502 7.502 7.571 -0.069 18475 770 1 3 . 1 1 29 29 VAL N N 29 123.919 123.919 121.192 2.727 18475 771 1 3 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.677 -0.250 18475 772 1 3 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.306 1.093 18475 773 1 3 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.697 0.868 18475 774 1 3 . 1 1 29 29 VAL H H 29 8.025 8.025 7.697 0.328 18475 775 1 3 . 1 1 30 30 LEU N N 30 122.820 122.820 118.803 4.017 18475 776 1 3 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.078 -0.103 18475 777 1 3 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.226 1.726 18475 778 1 3 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.427 0.033 18475 779 1 3 . 1 1 30 30 LEU H H 30 8.971 8.971 7.447 1.524 18475 780 1 3 . 1 1 31 31 ALA N N 31 120.021 120.021 120.393 -0.372 18475 781 1 3 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.193 -0.095 18475 782 1 3 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.285 0.286 18475 783 1 3 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.564 -0.649 18475 784 1 3 . 1 1 31 31 ALA H H 31 7.652 7.652 7.855 -0.203 18475 785 1 3 . 1 1 32 32 ALA N N 32 117.285 117.285 120.495 -3.210 18475 786 1 3 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.228 0.166 18475 787 1 3 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.038 -1.014 18475 788 1 3 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.994 -0.627 18475 789 1 3 . 1 1 32 32 ALA H H 32 7.278 7.278 7.673 -0.395 18475 790 1 3 . 1 1 33 33 ASN N N 33 116.716 116.716 117.584 -0.868 18475 791 1 3 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.124 0.062 18475 792 1 3 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.729 0.500 18475 793 1 3 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.032 2.381 18475 794 1 3 . 1 1 33 33 ASN H H 33 7.536 7.536 8.227 -0.691 18475 795 1 3 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.535 -0.048 18475 796 1 3 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.695 1.065 18475 797 1 3 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.124 -0.711 18475 798 1 3 . 1 1 35 35 GLY N N 35 110.626 110.626 109.062 1.564 18475 799 1 3 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.379 0.261 18475 800 1 3 . 1 1 35 35 GLY H H 35 8.911 8.911 8.655 0.256 18475 801 1 3 . 1 1 36 36 LEU N N 36 121.614 121.614 121.350 0.264 18475 802 1 3 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.314 -0.067 18475 803 1 3 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.786 -0.062 18475 804 1 3 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.443 0.538 18475 805 1 3 . 1 1 36 36 LEU H H 36 7.974 7.974 7.557 0.417 18475 806 1 3 . 1 1 37 37 ALA N N 37 120.690 120.690 121.706 -1.016 18475 807 1 3 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.089 0.054 18475 808 1 3 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.470 -0.028 18475 809 1 3 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.374 0.624 18475 810 1 3 . 1 1 37 37 ALA H H 37 8.215 8.215 8.552 -0.337 18475 811 1 3 . 1 1 38 38 GLU N N 38 115.505 115.505 116.088 -0.583 18475 812 1 3 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.271 0.020 18475 813 1 3 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.475 0.513 18475 814 1 3 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.053 0.786 18475 815 1 3 . 1 1 38 38 GLU H H 38 7.982 7.982 8.303 -0.321 18475 816 1 3 . 1 1 39 39 LEU N N 39 119.888 119.888 121.843 -1.955 18475 817 1 3 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.069 0.200 18475 818 1 3 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.756 -0.816 18475 819 1 3 . 1 1 39 39 LEU CB C 39 42.308 42.308 41.866 0.442 18475 820 1 3 . 1 1 39 39 LEU H H 39 7.760 7.760 7.627 0.133 18475 821 1 3 . 1 1 40 40 GLY N N 40 105.788 105.788 104.767 1.021 18475 822 1 3 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.405 0.045 18475 823 1 3 . 1 1 40 40 GLY H H 40 7.863 7.863 7.709 0.154 18475 824 1 3 . 1 1 41 41 ALA N N 41 120.963 120.963 121.587 -0.624 18475 825 1 3 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.352 -0.171 18475 826 1 3 . 1 1 41 41 ALA CA C 41 54.089 54.089 53.516 0.573 18475 827 1 3 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.195 0.226 18475 828 1 3 . 1 1 41 41 ALA H H 41 7.956 7.956 8.124 -0.168 18475 829 1 3 . 1 1 42 42 VAL N N 42 116.969 116.969 119.263 -2.294 18475 830 1 3 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.209 -0.003 18475 831 1 3 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.289 0.369 18475 832 1 3 . 1 1 42 42 VAL CB C 42 32.330 32.330 34.029 -1.699 18475 833 1 3 . 1 1 42 42 VAL H H 42 7.848 7.848 7.561 0.287 18475 834 1 3 . 1 1 43 43 LEU N N 43 129.206 129.206 128.928 0.278 18475 835 1 3 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.385 0.086 18475 836 1 3 . 1 1 43 43 LEU CA C 43 52.410 52.410 53.923 -1.513 18475 837 1 3 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.041 1.163 18475 838 1 3 . 1 1 43 43 LEU H H 43 8.764 8.764 8.405 0.359 18475 839 1 3 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.241 0.189 18475 840 1 3 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.671 -0.245 18475 841 1 3 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.552 -0.695 18475 842 1 3 . 1 1 45 45 HIS N N 45 126.707 126.707 113.918 12.789 18475 843 1 3 . 1 1 45 45 HIS HA H 45 4.017 4.017 5.143 -1.126 18475 844 1 3 . 1 1 45 45 HIS CA C 45 57.747 57.747 54.425 3.322 18475 845 1 3 . 1 1 45 45 HIS CB C 45 31.007 31.007 29.047 1.960 18475 846 1 3 . 1 1 45 45 HIS H H 45 8.880 8.880 7.899 0.981 18475 847 1 3 . 1 1 46 46 GLY N N 46 115.148 115.148 111.970 3.178 18475 848 1 3 . 1 1 46 46 GLY CA C 46 45.091 45.091 45.779 -0.688 18475 849 1 3 . 1 1 46 46 GLY H H 46 9.143 9.143 8.548 0.595 18475 850 1 3 . 1 1 47 47 THR N N 47 117.455 117.455 119.837 -2.382 18475 851 1 3 . 1 1 47 47 THR HA H 47 3.919 3.919 4.366 -0.447 18475 852 1 3 . 1 1 47 47 THR CA C 47 65.329 65.329 62.916 2.413 18475 853 1 3 . 1 1 47 47 THR CB C 47 70.171 70.171 69.550 0.621 18475 854 1 3 . 1 1 47 47 THR H H 47 7.680 7.680 8.025 -0.345 18475 855 1 3 . 1 1 48 48 ALA N N 48 131.425 131.425 130.380 1.045 18475 856 1 3 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.620 -0.152 18475 857 1 3 . 1 1 48 48 ALA CA C 48 52.054 52.054 52.473 -0.419 18475 858 1 3 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.691 -0.155 18475 859 1 3 . 1 1 48 48 ALA H H 48 8.777 8.777 8.638 0.139 18475 860 1 3 . 1 1 49 49 VAL N N 49 122.720 122.720 119.653 3.067 18475 861 1 3 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.409 -0.451 18475 862 1 3 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.204 0.218 18475 863 1 3 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.848 -0.874 18475 864 1 3 . 1 1 49 49 VAL H H 49 8.564 8.564 7.850 0.714 18475 865 1 3 . 1 1 50 50 GLU N N 50 129.105 129.105 127.673 1.432 18475 866 1 3 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.262 0.066 18475 867 1 3 . 1 1 50 50 GLU CA C 50 55.869 55.869 55.916 -0.047 18475 868 1 3 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.774 -0.997 18475 869 1 3 . 1 1 50 50 GLU H H 50 9.632 9.632 8.707 0.925 18475 870 1 3 . 1 1 51 51 LEU N N 51 126.085 126.085 126.583 -0.498 18475 871 1 3 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.789 0.155 18475 872 1 3 . 1 1 51 51 LEU CA C 51 50.984 50.984 50.495 0.489 18475 873 1 3 . 1 1 51 51 LEU CB C 51 40.919 40.919 40.968 -0.049 18475 874 1 3 . 1 1 51 51 LEU H H 51 8.474 8.474 8.227 0.247 18475 875 1 3 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.620 -0.128 18475 876 1 3 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.590 -0.460 18475 877 1 3 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.370 0.217 18475 878 1 3 . 1 1 53 53 ASP N N 53 120.950 120.950 118.949 2.001 18475 879 1 3 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.405 0.270 18475 880 1 3 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.338 -0.218 18475 881 1 3 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.440 0.050 18475 882 1 3 . 1 1 53 53 ASP H H 53 8.737 8.737 8.689 0.048 18475 883 1 3 . 1 1 54 54 VAL N N 54 121.459 121.459 117.544 3.915 18475 884 1 3 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.458 -0.261 18475 885 1 3 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.547 0.483 18475 886 1 3 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.651 -1.324 18475 887 1 3 . 1 1 54 54 VAL H H 54 8.161 8.161 7.966 0.195 18475 888 1 3 . 1 1 55 55 GLN N N 55 124.703 124.703 124.921 -0.218 18475 889 1 3 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.646 -0.215 18475 890 1 3 . 1 1 55 55 GLN CA C 55 56.109 56.109 55.137 0.972 18475 891 1 3 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.881 -0.397 18475 892 1 3 . 1 1 55 55 GLN H H 55 8.623 8.623 8.221 0.402 18475 893 1 3 . 1 1 56 56 THR HA H 56 4.332 4.332 4.043 0.289 18475 894 1 3 . 1 1 56 56 THR CA C 56 61.688 61.688 62.727 -1.040 18475 895 1 3 . 1 1 56 56 THR CB C 56 69.969 69.969 66.987 2.982 18475 896 1 3 . 1 1 57 57 ALA N N 57 127.534 127.534 124.274 3.260 18475 897 1 3 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.636 0.017 18475 898 1 3 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.185 0.386 18475 899 1 3 . 1 1 57 57 ALA CB C 57 18.397 18.397 20.506 -2.110 18475 900 1 3 . 1 1 57 57 ALA H H 57 8.277 8.277 7.883 0.394 18475 901 1 3 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.563 -0.079 18475 902 1 3 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.561 -0.151 18475 903 1 3 . 1 1 58 58 PRO CB C 58 32.030 32.030 32.323 -0.293 18475 904 1 3 . 1 1 59 59 VAL N N 59 120.618 120.618 119.477 1.141 18475 905 1 3 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.228 -0.161 18475 906 1 3 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.750 0.646 18475 907 1 3 . 1 1 59 59 VAL CB C 59 32.832 32.832 33.855 -1.024 18475 908 1 3 . 1 1 59 59 VAL H H 59 8.219 8.219 8.135 0.084 18475 909 1 3 . 1 1 60 60 ALA N N 60 127.858 127.858 129.971 -2.113 18475 910 1 3 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.481 -0.159 18475 911 1 3 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.020 0.621 18475 912 1 3 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.357 0.011 18475 913 1 3 . 1 1 60 60 ALA H H 60 8.399 8.399 8.381 0.018 18475 914 1 3 . 1 1 61 61 GLU N N 61 120.215 120.215 121.935 -1.720 18475 915 1 3 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.338 -0.033 18475 916 1 3 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.190 0.588 18475 917 1 3 . 1 1 61 61 GLU CB C 61 30.357 30.357 29.625 0.733 18475 918 1 3 . 1 1 61 61 GLU H H 61 8.405 8.405 8.754 -0.349 18475 919 1 3 . 1 1 62 62 THR N N 62 115.392 115.392 112.950 2.442 18475 920 1 3 . 1 1 62 62 THR HA H 62 4.327 4.327 4.560 -0.233 18475 921 1 3 . 1 1 62 62 THR CA C 62 61.984 61.984 61.608 0.376 18475 922 1 3 . 1 1 62 62 THR CB C 62 69.856 69.856 68.926 0.930 18475 923 1 3 . 1 1 62 62 THR H H 62 8.166 8.166 7.696 0.470 18475 924 1 3 . 1 1 63 63 VAL N N 63 122.511 122.511 124.476 -1.965 18475 925 1 3 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.217 -0.170 18475 926 1 3 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.563 -0.291 18475 927 1 3 . 1 1 63 63 VAL CB C 63 32.853 32.853 34.732 -1.879 18475 928 1 3 . 1 1 63 63 VAL H H 63 8.099 8.099 8.228 -0.129 18475 929 1 3 . 1 1 64 64 ASN N N 64 122.642 122.642 124.804 -2.162 18475 930 1 3 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.781 -0.158 18475 931 1 3 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.051 -0.150 18475 932 1 3 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.355 0.186 18475 933 1 3 . 1 1 64 64 ASN H H 64 8.471 8.471 8.581 -0.110 18475 934 1 3 . 1 1 65 65 LEU N N 65 123.365 123.365 120.592 2.773 18475 935 1 3 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.216 -0.052 18475 936 1 3 . 1 1 65 65 LEU CA C 65 56.164 56.164 53.719 2.445 18475 937 1 3 . 1 1 65 65 LEU CB C 65 41.989 41.989 44.610 -2.621 18475 938 1 3 . 1 1 65 65 LEU H H 65 8.226 8.226 7.643 0.583 18475 939 1 3 . 1 1 66 66 TRP N N 66 119.270 119.270 122.569 -3.299 18475 940 1 3 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.888 -0.244 18475 941 1 3 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.471 1.347 18475 942 1 3 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.303 -0.158 18475 943 1 3 . 1 1 66 66 TRP H H 66 7.886 7.886 8.311 -0.425 18475 944 1 3 . 1 1 67 67 GLU N N 67 121.087 121.087 122.075 -0.988 18475 945 1 3 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.015 0.209 18475 946 1 3 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.328 0.655 18475 947 1 3 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.164 0.047 18475 948 1 3 . 1 1 67 67 GLU H H 67 7.982 7.982 8.813 -0.831 18475 949 1 3 . 1 1 68 68 VAL N N 68 119.603 119.603 119.332 0.271 18475 950 1 3 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.177 -0.190 18475 951 1 3 . 1 1 68 68 VAL CA C 68 62.829 62.829 63.653 -0.824 18475 952 1 3 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.705 0.029 18475 953 1 3 . 1 1 68 68 VAL H H 68 7.836 7.836 7.982 -0.146 18475 954 1 3 . 1 1 69 69 GLU N N 69 122.754 122.754 120.714 2.040 18475 955 1 3 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.530 -0.347 18475 956 1 3 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.043 0.843 18475 957 1 3 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.020 1.216 18475 958 1 3 . 1 1 69 69 GLU H H 69 8.287 8.287 8.481 -0.194 18475 959 1 3 . 1 1 70 70 HIS N N 70 119.727 119.727 120.378 -0.651 18475 960 1 3 . 1 1 70 70 HIS H H 70 8.145 8.145 8.326 -0.181 18475 961 1 4 . 1 1 2 2 LYS N N 2 125.102 125.102 122.242 2.860 18475 962 1 4 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.291 -0.501 18475 963 1 4 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.802 0.547 18475 964 1 4 . 1 1 2 2 LYS CB C 2 34.348 34.348 36.117 -1.769 18475 965 1 4 . 1 1 2 2 LYS H H 2 8.576 8.576 8.023 0.553 18475 966 1 4 . 1 1 3 3 THR N N 3 118.344 118.344 114.743 3.601 18475 967 1 4 . 1 1 3 3 THR HA H 3 4.431 4.431 4.331 0.100 18475 968 1 4 . 1 1 3 3 THR CA C 3 58.999 58.999 60.127 -1.128 18475 969 1 4 . 1 1 3 3 THR CB C 3 70.310 70.310 70.101 0.209 18475 970 1 4 . 1 1 3 3 THR H H 3 8.411 8.411 8.118 0.293 18475 971 1 4 . 1 1 4 4 PHE N N 4 119.203 119.203 120.431 -1.228 18475 972 1 4 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.711 0.554 18475 973 1 4 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.521 -0.922 18475 974 1 4 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.631 1.890 18475 975 1 4 . 1 1 4 4 PHE H H 4 7.738 7.738 8.072 -0.334 18475 976 1 4 . 1 1 5 5 ALA N N 5 125.356 125.356 126.253 -0.897 18475 977 1 4 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.869 -0.545 18475 978 1 4 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.120 1.594 18475 979 1 4 . 1 1 5 5 ALA CB C 5 19.937 19.937 19.219 0.718 18475 980 1 4 . 1 1 5 5 ALA H H 5 9.071 9.071 8.734 0.337 18475 981 1 4 . 1 1 6 6 LEU N N 6 126.309 126.309 124.843 1.466 18475 982 1 4 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.672 -0.164 18475 983 1 4 . 1 1 6 6 LEU CA C 6 53.397 53.397 53.210 0.187 18475 984 1 4 . 1 1 6 6 LEU CB C 6 42.307 42.307 44.603 -2.296 18475 985 1 4 . 1 1 6 6 LEU H H 6 9.657 9.657 8.127 1.530 18475 986 1 4 . 1 1 7 7 GLN N N 7 119.930 119.930 121.651 -1.721 18475 987 1 4 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.065 0.112 18475 988 1 4 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.850 -0.340 18475 989 1 4 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.660 -0.722 18475 990 1 4 . 1 1 7 7 GLN H H 7 8.647 8.647 8.736 -0.089 18475 991 1 4 . 1 1 8 8 GLY N N 8 117.081 117.081 113.740 3.341 18475 992 1 4 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.501 -0.156 18475 993 1 4 . 1 1 8 8 GLY H H 8 9.812 9.812 8.997 0.815 18475 994 1 4 . 1 1 9 9 ASP N N 9 121.569 121.569 118.783 2.786 18475 995 1 4 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.949 -0.290 18475 996 1 4 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.443 2.196 18475 997 1 4 . 1 1 9 9 ASP CB C 9 42.127 42.127 42.065 0.062 18475 998 1 4 . 1 1 9 9 ASP H H 9 8.085 8.085 8.521 -0.436 18475 999 1 4 . 1 1 10 10 THR N N 10 106.071 106.071 110.502 -4.431 18475 1000 1 4 . 1 1 10 10 THR HA H 10 4.984 4.984 4.398 0.586 18475 1001 1 4 . 1 1 10 10 THR CA C 10 58.309 58.309 60.550 -2.241 18475 1002 1 4 . 1 1 10 10 THR CB C 10 72.680 72.680 70.964 1.716 18475 1003 1 4 . 1 1 10 10 THR H H 10 6.920 6.920 7.428 -0.508 18475 1004 1 4 . 1 1 11 11 LEU N N 11 122.591 122.591 120.300 2.291 18475 1005 1 4 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.978 0.153 18475 1006 1 4 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.526 -0.200 18475 1007 1 4 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.556 -0.134 18475 1008 1 4 . 1 1 11 11 LEU H H 11 9.621 9.621 8.782 0.839 18475 1009 1 4 . 1 1 12 12 ASP N N 12 118.388 118.388 118.463 -0.075 18475 1010 1 4 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.348 -0.207 18475 1011 1 4 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.232 0.577 18475 1012 1 4 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.849 -0.383 18475 1013 1 4 . 1 1 12 12 ASP H H 12 8.561 8.561 8.116 0.445 18475 1014 1 4 . 1 1 13 13 ALA N N 13 121.142 121.142 121.785 -0.643 18475 1015 1 4 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.309 -0.288 18475 1016 1 4 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.541 0.696 18475 1017 1 4 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.174 -0.665 18475 1018 1 4 . 1 1 13 13 ALA H H 13 7.870 7.870 7.644 0.226 18475 1019 1 4 . 1 1 14 14 ILE N N 14 119.983 119.983 118.903 1.080 18475 1020 1 4 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.738 -0.118 18475 1021 1 4 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.437 0.629 18475 1022 1 4 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.792 0.831 18475 1023 1 4 . 1 1 14 14 ILE H H 14 8.043 8.043 8.650 -0.607 18475 1024 1 4 . 1 1 15 15 CYS N N 15 117.727 117.727 117.464 0.263 18475 1025 1 4 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.541 -0.064 18475 1026 1 4 . 1 1 15 15 CYS CA C 15 65.421 65.421 63.644 1.778 18475 1027 1 4 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.359 0.009 18475 1028 1 4 . 1 1 15 15 CYS H H 15 8.477 8.477 8.620 -0.143 18475 1029 1 4 . 1 1 16 16 VAL N N 16 120.808 120.808 120.150 0.658 18475 1030 1 4 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.023 -0.705 18475 1031 1 4 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.373 2.225 18475 1032 1 4 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.634 -0.251 18475 1033 1 4 . 1 1 16 16 VAL H H 16 8.477 8.477 8.108 0.369 18475 1034 1 4 . 1 1 17 17 ARG N N 17 119.589 119.589 119.844 -0.255 18475 1035 1 4 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.184 -0.248 18475 1036 1 4 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.671 1.513 18475 1037 1 4 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.027 0.654 18475 1038 1 4 . 1 1 17 17 ARG H H 17 7.963 7.963 8.360 -0.397 18475 1039 1 4 . 1 1 18 18 TYR N N 18 113.897 113.897 117.771 -3.874 18475 1040 1 4 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.375 0.006 18475 1041 1 4 . 1 1 18 18 TYR CA C 18 61.111 61.111 59.770 1.341 18475 1042 1 4 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.528 0.483 18475 1043 1 4 . 1 1 18 18 TYR H H 18 7.833 7.833 7.756 0.077 18475 1044 1 4 . 1 1 19 19 TYR N N 19 115.270 115.270 115.884 -0.614 18475 1045 1 4 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.564 0.181 18475 1046 1 4 . 1 1 19 19 TYR CA C 19 58.340 58.340 59.238 -0.898 18475 1047 1 4 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.006 0.884 18475 1048 1 4 . 1 1 19 19 TYR H H 19 8.936 8.936 7.595 1.341 18475 1049 1 4 . 1 1 20 20 GLY N N 20 108.099 108.099 105.600 2.499 18475 1050 1 4 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.154 0.645 18475 1051 1 4 . 1 1 20 20 GLY H H 20 7.921 7.921 8.345 -0.424 18475 1052 1 4 . 1 1 21 21 ARG N N 21 115.116 115.116 117.232 -2.116 18475 1053 1 4 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.628 0.105 18475 1054 1 4 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.617 0.103 18475 1055 1 4 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.426 -0.161 18475 1056 1 4 . 1 1 21 21 ARG H H 21 7.495 7.495 7.698 -0.203 18475 1057 1 4 . 1 1 22 22 THR N N 22 106.239 106.239 108.796 -2.557 18475 1058 1 4 . 1 1 22 22 THR HA H 22 4.320 4.320 4.386 -0.066 18475 1059 1 4 . 1 1 22 22 THR CA C 22 62.284 62.284 61.732 0.552 18475 1060 1 4 . 1 1 22 22 THR CB C 22 69.292 69.292 69.700 -0.408 18475 1061 1 4 . 1 1 22 22 THR H H 22 8.162 8.162 8.309 -0.147 18475 1062 1 4 . 1 1 23 23 GLU N N 23 126.964 126.964 122.555 4.409 18475 1063 1 4 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.078 0.087 18475 1064 1 4 . 1 1 23 23 GLU CA C 23 58.752 58.752 56.860 1.892 18475 1065 1 4 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.621 0.359 18475 1066 1 4 . 1 1 23 23 GLU H H 23 8.543 8.543 8.218 0.325 18475 1067 1 4 . 1 1 24 24 GLY N N 24 115.618 115.618 114.452 1.166 18475 1068 1 4 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.452 0.563 18475 1069 1 4 . 1 1 24 24 GLY H H 24 9.112 9.112 8.786 0.326 18475 1070 1 4 . 1 1 25 25 VAL N N 25 118.084 118.084 119.734 -1.650 18475 1071 1 4 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.900 0.104 18475 1072 1 4 . 1 1 25 25 VAL CA C 25 63.479 63.479 63.850 -0.371 18475 1073 1 4 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.803 1.080 18475 1074 1 4 . 1 1 25 25 VAL H H 25 7.860 7.860 7.435 0.425 18475 1075 1 4 . 1 1 26 26 VAL N N 26 121.094 121.094 117.499 3.595 18475 1076 1 4 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.648 0.109 18475 1077 1 4 . 1 1 26 26 VAL CA C 26 66.861 66.861 66.285 0.576 18475 1078 1 4 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.422 0.468 18475 1079 1 4 . 1 1 26 26 VAL H H 26 8.101 8.101 7.966 0.135 18475 1080 1 4 . 1 1 27 27 GLU N N 27 119.186 119.186 119.678 -0.492 18475 1081 1 4 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.027 -0.045 18475 1082 1 4 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.696 0.965 18475 1083 1 4 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.228 -0.772 18475 1084 1 4 . 1 1 27 27 GLU H H 27 8.910 8.910 8.738 0.172 18475 1085 1 4 . 1 1 28 28 THR N N 28 117.846 117.846 116.601 1.245 18475 1086 1 4 . 1 1 28 28 THR HA H 28 3.980 3.980 4.013 -0.034 18475 1087 1 4 . 1 1 28 28 THR CA C 28 66.119 66.119 66.249 -0.129 18475 1088 1 4 . 1 1 28 28 THR CB C 28 68.459 68.459 68.674 -0.215 18475 1089 1 4 . 1 1 28 28 THR H H 28 7.502 7.502 7.600 -0.098 18475 1090 1 4 . 1 1 29 29 VAL N N 29 123.919 123.919 122.000 1.919 18475 1091 1 4 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.668 -0.241 18475 1092 1 4 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.615 0.784 18475 1093 1 4 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.814 0.750 18475 1094 1 4 . 1 1 29 29 VAL H H 29 8.025 8.025 7.842 0.183 18475 1095 1 4 . 1 1 30 30 LEU N N 30 122.820 122.820 119.450 3.370 18475 1096 1 4 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.994 -0.019 18475 1097 1 4 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.562 1.390 18475 1098 1 4 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.717 -0.257 18475 1099 1 4 . 1 1 30 30 LEU H H 30 8.971 8.971 8.241 0.730 18475 1100 1 4 . 1 1 31 31 ALA N N 31 120.021 120.021 120.244 -0.223 18475 1101 1 4 . 1 1 31 31 ALA HA H 31 4.098 4.098 3.991 0.107 18475 1102 1 4 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.559 0.013 18475 1103 1 4 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.544 -0.629 18475 1104 1 4 . 1 1 31 31 ALA H H 31 7.652 7.652 7.547 0.105 18475 1105 1 4 . 1 1 32 32 ALA N N 32 117.285 117.285 119.225 -1.940 18475 1106 1 4 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.124 0.270 18475 1107 1 4 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.082 -1.058 18475 1108 1 4 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.716 -0.349 18475 1109 1 4 . 1 1 32 32 ALA H H 32 7.278 7.278 7.874 -0.596 18475 1110 1 4 . 1 1 33 33 ASN N N 33 116.716 116.716 117.067 -0.351 18475 1111 1 4 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.172 0.014 18475 1112 1 4 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.729 0.500 18475 1113 1 4 . 1 1 33 33 ASN CB C 33 42.413 42.413 39.386 3.027 18475 1114 1 4 . 1 1 33 33 ASN H H 33 7.536 7.536 7.979 -0.443 18475 1115 1 4 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.521 -0.034 18475 1116 1 4 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.833 0.927 18475 1117 1 4 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.288 -0.874 18475 1118 1 4 . 1 1 35 35 GLY N N 35 110.626 110.626 110.603 0.023 18475 1119 1 4 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.067 0.573 18475 1120 1 4 . 1 1 35 35 GLY H H 35 8.911 8.911 8.595 0.316 18475 1121 1 4 . 1 1 36 36 LEU N N 36 121.614 121.614 123.594 -1.980 18475 1122 1 4 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.143 0.104 18475 1123 1 4 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.431 -0.707 18475 1124 1 4 . 1 1 36 36 LEU CB C 36 41.981 41.981 40.962 1.019 18475 1125 1 4 . 1 1 36 36 LEU H H 36 7.974 7.974 7.668 0.306 18475 1126 1 4 . 1 1 37 37 ALA N N 37 120.690 120.690 118.922 1.768 18475 1127 1 4 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.021 0.122 18475 1128 1 4 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.367 0.075 18475 1129 1 4 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.375 0.622 18475 1130 1 4 . 1 1 37 37 ALA H H 37 8.215 8.215 8.440 -0.225 18475 1131 1 4 . 1 1 38 38 GLU N N 38 115.505 115.505 117.280 -1.775 18475 1132 1 4 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.337 -0.046 18475 1133 1 4 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.188 0.800 18475 1134 1 4 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.551 0.288 18475 1135 1 4 . 1 1 38 38 GLU H H 38 7.982 7.982 7.660 0.322 18475 1136 1 4 . 1 1 39 39 LEU N N 39 119.888 119.888 119.872 0.016 18475 1137 1 4 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.179 0.090 18475 1138 1 4 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.516 -0.576 18475 1139 1 4 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.764 -0.456 18475 1140 1 4 . 1 1 39 39 LEU H H 39 7.760 7.760 7.928 -0.168 18475 1141 1 4 . 1 1 40 40 GLY N N 40 105.788 105.788 105.337 0.451 18475 1142 1 4 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.784 -0.334 18475 1143 1 4 . 1 1 40 40 GLY H H 40 7.863 7.863 8.212 -0.349 18475 1144 1 4 . 1 1 41 41 ALA N N 41 120.963 120.963 123.418 -2.455 18475 1145 1 4 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.663 -0.482 18475 1146 1 4 . 1 1 41 41 ALA CA C 41 54.089 54.089 51.817 2.272 18475 1147 1 4 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.936 -0.515 18475 1148 1 4 . 1 1 41 41 ALA H H 41 7.956 7.956 8.216 -0.260 18475 1149 1 4 . 1 1 42 42 VAL N N 42 116.969 116.969 120.730 -3.761 18475 1150 1 4 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.237 -0.031 18475 1151 1 4 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.870 -0.212 18475 1152 1 4 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.730 -0.400 18475 1153 1 4 . 1 1 42 42 VAL H H 42 7.848 7.848 7.984 -0.136 18475 1154 1 4 . 1 1 43 43 LEU N N 43 129.206 129.206 125.658 3.548 18475 1155 1 4 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.627 -0.156 18475 1156 1 4 . 1 1 43 43 LEU CA C 43 52.410 52.410 52.305 0.105 18475 1157 1 4 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.756 0.448 18475 1158 1 4 . 1 1 43 43 LEU H H 43 8.764 8.764 8.283 0.481 18475 1159 1 4 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.491 -0.061 18475 1160 1 4 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.677 -0.251 18475 1161 1 4 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.051 -0.194 18475 1162 1 4 . 1 1 45 45 HIS N N 45 126.707 126.707 120.414 6.293 18475 1163 1 4 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.511 -0.494 18475 1164 1 4 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.760 0.987 18475 1165 1 4 . 1 1 45 45 HIS CB C 45 31.007 31.007 28.430 2.577 18475 1166 1 4 . 1 1 45 45 HIS H H 45 8.880 8.880 8.613 0.267 18475 1167 1 4 . 1 1 46 46 GLY N N 46 115.148 115.148 112.945 2.203 18475 1168 1 4 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.839 0.252 18475 1169 1 4 . 1 1 46 46 GLY H H 46 9.143 9.143 8.544 0.599 18475 1170 1 4 . 1 1 47 47 THR N N 47 117.455 117.455 120.626 -3.171 18475 1171 1 4 . 1 1 47 47 THR HA H 47 3.919 3.919 4.454 -0.535 18475 1172 1 4 . 1 1 47 47 THR CA C 47 65.329 65.329 63.232 2.097 18475 1173 1 4 . 1 1 47 47 THR CB C 47 70.171 70.171 69.320 0.851 18475 1174 1 4 . 1 1 47 47 THR H H 47 7.680 7.680 7.996 -0.316 18475 1175 1 4 . 1 1 48 48 ALA N N 48 131.425 131.425 131.266 0.159 18475 1176 1 4 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.634 -0.166 18475 1177 1 4 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.842 0.213 18475 1178 1 4 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.894 -0.358 18475 1179 1 4 . 1 1 48 48 ALA H H 48 8.777 8.777 8.734 0.043 18475 1180 1 4 . 1 1 49 49 VAL N N 49 122.720 122.720 120.827 1.893 18475 1181 1 4 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.236 -0.278 18475 1182 1 4 . 1 1 49 49 VAL CA C 49 61.422 61.422 60.532 0.890 18475 1183 1 4 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.289 -0.315 18475 1184 1 4 . 1 1 49 49 VAL H H 49 8.564 8.564 8.270 0.294 18475 1185 1 4 . 1 1 50 50 GLU N N 50 129.105 129.105 126.717 2.388 18475 1186 1 4 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.225 0.103 18475 1187 1 4 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.502 -0.633 18475 1188 1 4 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.495 -0.718 18475 1189 1 4 . 1 1 50 50 GLU H H 50 9.632 9.632 8.524 1.108 18475 1190 1 4 . 1 1 51 51 LEU N N 51 126.085 126.085 127.449 -1.364 18475 1191 1 4 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.785 0.159 18475 1192 1 4 . 1 1 51 51 LEU CA C 51 50.984 50.984 52.000 -1.016 18475 1193 1 4 . 1 1 51 51 LEU CB C 51 40.919 40.919 42.184 -1.265 18475 1194 1 4 . 1 1 51 51 LEU H H 51 8.474 8.474 7.832 0.642 18475 1195 1 4 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.478 0.014 18475 1196 1 4 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.893 -0.763 18475 1197 1 4 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.369 0.218 18475 1198 1 4 . 1 1 53 53 ASP N N 53 120.950 120.950 119.729 1.221 18475 1199 1 4 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.434 0.241 18475 1200 1 4 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.226 -0.106 18475 1201 1 4 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.275 0.215 18475 1202 1 4 . 1 1 53 53 ASP H H 53 8.737 8.737 8.647 0.090 18475 1203 1 4 . 1 1 54 54 VAL N N 54 121.459 121.459 117.523 3.936 18475 1204 1 4 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.389 -0.192 18475 1205 1 4 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.482 0.548 18475 1206 1 4 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.346 -1.018 18475 1207 1 4 . 1 1 54 54 VAL H H 54 8.161 8.161 7.903 0.258 18475 1208 1 4 . 1 1 55 55 GLN N N 55 124.703 124.703 124.717 -0.014 18475 1209 1 4 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.712 -0.281 18475 1210 1 4 . 1 1 55 55 GLN CA C 55 56.109 56.109 54.849 1.260 18475 1211 1 4 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.728 -0.244 18475 1212 1 4 . 1 1 55 55 GLN H H 55 8.623 8.623 8.571 0.052 18475 1213 1 4 . 1 1 56 56 THR HA H 56 4.332 4.332 4.262 0.070 18475 1214 1 4 . 1 1 56 56 THR CA C 56 61.688 61.688 62.521 -0.833 18475 1215 1 4 . 1 1 56 56 THR CB C 56 69.969 69.969 69.290 0.679 18475 1216 1 4 . 1 1 57 57 ALA N N 57 127.534 127.534 126.984 0.550 18475 1217 1 4 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.619 0.034 18475 1218 1 4 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.926 -0.354 18475 1219 1 4 . 1 1 57 57 ALA CB C 57 18.397 18.397 19.965 -1.568 18475 1220 1 4 . 1 1 57 57 ALA H H 57 8.277 8.277 8.012 0.265 18475 1221 1 4 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.485 -0.001 18475 1222 1 4 . 1 1 58 58 PRO CA C 58 62.410 62.410 63.138 -0.728 18475 1223 1 4 . 1 1 58 58 PRO CB C 58 32.030 32.030 30.420 1.610 18475 1224 1 4 . 1 1 59 59 VAL N N 59 120.618 120.618 122.705 -2.087 18475 1225 1 4 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.252 -0.185 18475 1226 1 4 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.069 1.327 18475 1227 1 4 . 1 1 59 59 VAL CB C 59 32.832 32.832 33.947 -1.115 18475 1228 1 4 . 1 1 59 59 VAL H H 59 8.219 8.219 7.978 0.241 18475 1229 1 4 . 1 1 60 60 ALA N N 60 127.858 127.858 130.531 -2.673 18475 1230 1 4 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.546 -0.224 18475 1231 1 4 . 1 1 60 60 ALA CA C 60 52.641 52.641 51.562 1.079 18475 1232 1 4 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.218 0.150 18475 1233 1 4 . 1 1 60 60 ALA H H 60 8.399 8.399 8.364 0.035 18475 1234 1 4 . 1 1 61 61 GLU N N 61 120.215 120.215 122.917 -2.702 18475 1235 1 4 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.649 -0.344 18475 1236 1 4 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.202 0.577 18475 1237 1 4 . 1 1 61 61 GLU CB C 61 30.357 30.357 31.275 -0.918 18475 1238 1 4 . 1 1 61 61 GLU H H 61 8.405 8.405 8.773 -0.368 18475 1239 1 4 . 1 1 62 62 THR N N 62 115.392 115.392 114.896 0.496 18475 1240 1 4 . 1 1 62 62 THR HA H 62 4.327 4.327 4.730 -0.403 18475 1241 1 4 . 1 1 62 62 THR CA C 62 61.984 61.984 61.695 0.289 18475 1242 1 4 . 1 1 62 62 THR CB C 62 69.856 69.856 70.262 -0.406 18475 1243 1 4 . 1 1 62 62 THR H H 62 8.166 8.166 8.418 -0.252 18475 1244 1 4 . 1 1 63 63 VAL N N 63 122.511 122.511 121.527 0.984 18475 1245 1 4 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.220 -0.173 18475 1246 1 4 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.919 0.353 18475 1247 1 4 . 1 1 63 63 VAL CB C 63 32.853 32.853 34.270 -1.417 18475 1248 1 4 . 1 1 63 63 VAL H H 63 8.099 8.099 8.459 -0.360 18475 1249 1 4 . 1 1 64 64 ASN N N 64 122.642 122.642 126.584 -3.942 18475 1250 1 4 . 1 1 64 64 ASN HA H 64 4.623 4.623 5.117 -0.494 18475 1251 1 4 . 1 1 64 64 ASN CA C 64 52.901 52.901 52.590 0.311 18475 1252 1 4 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.397 0.145 18475 1253 1 4 . 1 1 64 64 ASN H H 64 8.471 8.471 8.568 -0.097 18475 1254 1 4 . 1 1 65 65 LEU N N 65 123.365 123.365 120.219 3.146 18475 1255 1 4 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.584 -0.420 18475 1256 1 4 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.392 1.772 18475 1257 1 4 . 1 1 65 65 LEU CB C 65 41.989 41.989 41.560 0.428 18475 1258 1 4 . 1 1 65 65 LEU H H 65 8.226 8.226 8.344 -0.118 18475 1259 1 4 . 1 1 66 66 TRP N N 66 119.270 119.270 121.202 -1.932 18475 1260 1 4 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.894 -0.251 18475 1261 1 4 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.081 0.737 18475 1262 1 4 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.513 -0.368 18475 1263 1 4 . 1 1 66 66 TRP H H 66 7.886 7.886 7.159 0.727 18475 1264 1 4 . 1 1 67 67 GLU N N 67 121.087 121.087 119.363 1.724 18475 1265 1 4 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.447 -0.223 18475 1266 1 4 . 1 1 67 67 GLU CA C 67 56.983 56.983 55.867 1.116 18475 1267 1 4 . 1 1 67 67 GLU CB C 67 30.211 30.211 28.299 1.912 18475 1268 1 4 . 1 1 67 67 GLU H H 67 7.982 7.982 7.568 0.414 18475 1269 1 4 . 1 1 68 68 VAL N N 68 119.603 119.603 119.541 0.062 18475 1270 1 4 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.074 -0.087 18475 1271 1 4 . 1 1 68 68 VAL CA C 68 62.829 62.829 63.153 -0.324 18475 1272 1 4 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.375 0.359 18475 1273 1 4 . 1 1 68 68 VAL H H 68 7.836 7.836 7.741 0.095 18475 1274 1 4 . 1 1 69 69 GLU N N 69 122.754 122.754 121.993 0.761 18475 1275 1 4 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.453 -0.270 18475 1276 1 4 . 1 1 69 69 GLU CA C 69 56.886 56.886 55.736 1.150 18475 1277 1 4 . 1 1 69 69 GLU CB C 69 30.236 30.236 27.987 2.249 18475 1278 1 4 . 1 1 69 69 GLU H H 69 8.287 8.287 8.353 -0.066 18475 1279 1 4 . 1 1 70 70 HIS N N 70 119.727 119.727 121.813 -2.086 18475 1280 1 4 . 1 1 70 70 HIS H H 70 8.145 8.145 8.339 -0.194 18475 1281 1 5 . 1 1 2 2 LYS N N 2 125.102 125.102 123.319 1.783 18475 1282 1 5 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.473 -0.683 18475 1283 1 5 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.734 0.615 18475 1284 1 5 . 1 1 2 2 LYS CB C 2 34.348 34.348 36.353 -2.005 18475 1285 1 5 . 1 1 2 2 LYS H H 2 8.576 8.576 8.391 0.185 18475 1286 1 5 . 1 1 3 3 THR N N 3 118.344 118.344 115.549 2.795 18475 1287 1 5 . 1 1 3 3 THR HA H 3 4.431 4.431 4.267 0.164 18475 1288 1 5 . 1 1 3 3 THR CA C 3 58.999 58.999 60.232 -1.233 18475 1289 1 5 . 1 1 3 3 THR CB C 3 70.310 70.310 70.173 0.137 18475 1290 1 5 . 1 1 3 3 THR H H 3 8.411 8.411 8.140 0.271 18475 1291 1 5 . 1 1 4 4 PHE N N 4 119.203 119.203 122.504 -3.301 18475 1292 1 5 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.591 0.674 18475 1293 1 5 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.145 -0.546 18475 1294 1 5 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.042 2.479 18475 1295 1 5 . 1 1 4 4 PHE H H 4 7.738 7.738 7.984 -0.246 18475 1296 1 5 . 1 1 5 5 ALA N N 5 125.356 125.356 126.474 -1.118 18475 1297 1 5 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.623 -0.299 18475 1298 1 5 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.309 1.405 18475 1299 1 5 . 1 1 5 5 ALA CB C 5 19.937 19.937 20.799 -0.862 18475 1300 1 5 . 1 1 5 5 ALA H H 5 9.071 9.071 8.832 0.239 18475 1301 1 5 . 1 1 6 6 LEU N N 6 126.309 126.309 120.558 5.751 18475 1302 1 5 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.641 -0.133 18475 1303 1 5 . 1 1 6 6 LEU CA C 6 53.397 53.397 53.282 0.115 18475 1304 1 5 . 1 1 6 6 LEU CB C 6 42.307 42.307 45.586 -3.279 18475 1305 1 5 . 1 1 6 6 LEU H H 6 9.657 9.657 8.089 1.568 18475 1306 1 5 . 1 1 7 7 GLN N N 7 119.930 119.930 121.993 -2.063 18475 1307 1 5 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.155 0.022 18475 1308 1 5 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.584 -0.074 18475 1309 1 5 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.733 -0.795 18475 1310 1 5 . 1 1 7 7 GLN H H 7 8.647 8.647 8.777 -0.130 18475 1311 1 5 . 1 1 8 8 GLY N N 8 117.081 117.081 115.075 2.006 18475 1312 1 5 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.847 -0.502 18475 1313 1 5 . 1 1 8 8 GLY H H 8 9.812 9.812 8.861 0.951 18475 1314 1 5 . 1 1 9 9 ASP N N 9 121.569 121.569 118.900 2.669 18475 1315 1 5 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.951 -0.292 18475 1316 1 5 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.446 2.193 18475 1317 1 5 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.268 0.859 18475 1318 1 5 . 1 1 9 9 ASP H H 9 8.085 8.085 8.492 -0.407 18475 1319 1 5 . 1 1 10 10 THR N N 10 106.071 106.071 110.489 -4.418 18475 1320 1 5 . 1 1 10 10 THR HA H 10 4.984 4.984 4.384 0.600 18475 1321 1 5 . 1 1 10 10 THR CA C 10 58.309 58.309 60.733 -2.425 18475 1322 1 5 . 1 1 10 10 THR CB C 10 72.680 72.680 71.069 1.611 18475 1323 1 5 . 1 1 10 10 THR H H 10 6.920 6.920 7.428 -0.508 18475 1324 1 5 . 1 1 11 11 LEU N N 11 122.591 122.591 120.575 2.016 18475 1325 1 5 . 1 1 11 11 LEU HA H 11 4.131 4.131 4.006 0.125 18475 1326 1 5 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.887 -0.560 18475 1327 1 5 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.677 -0.255 18475 1328 1 5 . 1 1 11 11 LEU H H 11 9.621 9.621 8.771 0.850 18475 1329 1 5 . 1 1 12 12 ASP N N 12 118.388 118.388 118.819 -0.431 18475 1330 1 5 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.340 -0.199 18475 1331 1 5 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.385 0.424 18475 1332 1 5 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.578 -0.112 18475 1333 1 5 . 1 1 12 12 ASP H H 12 8.561 8.561 8.007 0.554 18475 1334 1 5 . 1 1 13 13 ALA N N 13 121.142 121.142 121.436 -0.294 18475 1335 1 5 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.335 -0.314 18475 1336 1 5 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.305 0.932 18475 1337 1 5 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.602 -1.093 18475 1338 1 5 . 1 1 13 13 ALA H H 13 7.870 7.870 7.686 0.184 18475 1339 1 5 . 1 1 14 14 ILE N N 14 119.983 119.983 119.573 0.410 18475 1340 1 5 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.654 -0.034 18475 1341 1 5 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.671 0.396 18475 1342 1 5 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.821 0.802 18475 1343 1 5 . 1 1 14 14 ILE H H 14 8.043 8.043 8.668 -0.625 18475 1344 1 5 . 1 1 15 15 CYS N N 15 117.727 117.727 116.385 1.342 18475 1345 1 5 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.439 0.038 18475 1346 1 5 . 1 1 15 15 CYS CA C 15 65.421 65.421 63.915 1.506 18475 1347 1 5 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.002 0.367 18475 1348 1 5 . 1 1 15 15 CYS H H 15 8.477 8.477 8.593 -0.116 18475 1349 1 5 . 1 1 16 16 VAL N N 16 120.808 120.808 119.272 1.536 18475 1350 1 5 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.049 -0.731 18475 1351 1 5 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.751 1.847 18475 1352 1 5 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.620 -0.237 18475 1353 1 5 . 1 1 16 16 VAL H H 16 8.477 8.477 8.020 0.457 18475 1354 1 5 . 1 1 17 17 ARG N N 17 119.589 119.589 119.949 -0.360 18475 1355 1 5 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.217 -0.281 18475 1356 1 5 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.557 1.627 18475 1357 1 5 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.177 0.504 18475 1358 1 5 . 1 1 17 17 ARG H H 17 7.963 7.963 8.222 -0.259 18475 1359 1 5 . 1 1 18 18 TYR N N 18 113.897 113.897 117.288 -3.391 18475 1360 1 5 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.346 0.035 18475 1361 1 5 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.406 0.705 18475 1362 1 5 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.770 0.241 18475 1363 1 5 . 1 1 18 18 TYR H H 18 7.833 7.833 8.167 -0.334 18475 1364 1 5 . 1 1 19 19 TYR N N 19 115.270 115.270 114.311 0.959 18475 1365 1 5 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.581 0.164 18475 1366 1 5 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.675 -0.334 18475 1367 1 5 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.658 0.232 18475 1368 1 5 . 1 1 19 19 TYR H H 19 8.936 8.936 7.723 1.213 18475 1369 1 5 . 1 1 20 20 GLY N N 20 108.099 108.099 106.152 1.947 18475 1370 1 5 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.166 0.634 18475 1371 1 5 . 1 1 20 20 GLY H H 20 7.921 7.921 8.581 -0.660 18475 1372 1 5 . 1 1 21 21 ARG N N 21 115.116 115.116 117.201 -2.085 18475 1373 1 5 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.681 0.052 18475 1374 1 5 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.594 0.126 18475 1375 1 5 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.471 -0.206 18475 1376 1 5 . 1 1 21 21 ARG H H 21 7.495 7.495 7.828 -0.333 18475 1377 1 5 . 1 1 22 22 THR N N 22 106.239 106.239 109.083 -2.844 18475 1378 1 5 . 1 1 22 22 THR HA H 22 4.320 4.320 4.464 -0.144 18475 1379 1 5 . 1 1 22 22 THR CA C 22 62.284 62.284 62.923 -0.639 18475 1380 1 5 . 1 1 22 22 THR CB C 22 69.292 69.292 70.019 -0.727 18475 1381 1 5 . 1 1 22 22 THR H H 22 8.162 8.162 8.322 -0.160 18475 1382 1 5 . 1 1 23 23 GLU N N 23 126.964 126.964 123.079 3.885 18475 1383 1 5 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.043 0.122 18475 1384 1 5 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.385 1.367 18475 1385 1 5 . 1 1 23 23 GLU CB C 23 28.980 28.980 29.155 -0.176 18475 1386 1 5 . 1 1 23 23 GLU H H 23 8.543 8.543 8.241 0.302 18475 1387 1 5 . 1 1 24 24 GLY N N 24 115.618 115.618 113.781 1.837 18475 1388 1 5 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.601 0.414 18475 1389 1 5 . 1 1 24 24 GLY H H 24 9.112 9.112 8.535 0.577 18475 1390 1 5 . 1 1 25 25 VAL N N 25 118.084 118.084 120.943 -2.859 18475 1391 1 5 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.947 0.057 18475 1392 1 5 . 1 1 25 25 VAL CA C 25 63.479 63.479 64.272 -0.793 18475 1393 1 5 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.412 1.471 18475 1394 1 5 . 1 1 25 25 VAL H H 25 7.860 7.860 7.378 0.482 18475 1395 1 5 . 1 1 26 26 VAL N N 26 121.094 121.094 116.827 4.267 18475 1396 1 5 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.752 0.005 18475 1397 1 5 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.664 1.197 18475 1398 1 5 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.029 0.861 18475 1399 1 5 . 1 1 26 26 VAL H H 26 8.101 8.101 8.136 -0.035 18475 1400 1 5 . 1 1 27 27 GLU N N 27 119.186 119.186 118.585 0.601 18475 1401 1 5 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.183 -0.201 18475 1402 1 5 . 1 1 27 27 GLU CA C 27 60.660 60.660 58.948 1.712 18475 1403 1 5 . 1 1 27 27 GLU CB C 27 28.456 28.456 28.790 -0.334 18475 1404 1 5 . 1 1 27 27 GLU H H 27 8.910 8.910 8.801 0.109 18475 1405 1 5 . 1 1 28 28 THR N N 28 117.846 117.846 117.395 0.451 18475 1406 1 5 . 1 1 28 28 THR HA H 28 3.980 3.980 4.079 -0.098 18475 1407 1 5 . 1 1 28 28 THR CA C 28 66.119 66.119 66.089 0.030 18475 1408 1 5 . 1 1 28 28 THR CB C 28 68.459 68.459 68.484 -0.025 18475 1409 1 5 . 1 1 28 28 THR H H 28 7.502 7.502 7.802 -0.300 18475 1410 1 5 . 1 1 29 29 VAL N N 29 123.919 123.919 121.442 2.477 18475 1411 1 5 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.659 -0.232 18475 1412 1 5 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.325 1.074 18475 1413 1 5 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.904 0.661 18475 1414 1 5 . 1 1 29 29 VAL H H 29 8.025 8.025 7.548 0.477 18475 1415 1 5 . 1 1 30 30 LEU N N 30 122.820 122.820 119.513 3.307 18475 1416 1 5 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.976 -0.001 18475 1417 1 5 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.576 1.376 18475 1418 1 5 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.609 -0.149 18475 1419 1 5 . 1 1 30 30 LEU H H 30 8.971 8.971 7.553 1.418 18475 1420 1 5 . 1 1 31 31 ALA N N 31 120.021 120.021 119.333 0.688 18475 1421 1 5 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.077 0.021 18475 1422 1 5 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.569 0.002 18475 1423 1 5 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.469 -0.554 18475 1424 1 5 . 1 1 31 31 ALA H H 31 7.652 7.652 7.560 0.092 18475 1425 1 5 . 1 1 32 32 ALA N N 32 117.285 117.285 118.874 -1.589 18475 1426 1 5 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.203 0.191 18475 1427 1 5 . 1 1 32 32 ALA CA C 32 52.024 52.024 52.806 -0.782 18475 1428 1 5 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.839 -0.472 18475 1429 1 5 . 1 1 32 32 ALA H H 32 7.278 7.278 7.351 -0.073 18475 1430 1 5 . 1 1 33 33 ASN N N 33 116.716 116.716 116.881 -0.165 18475 1431 1 5 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.159 0.027 18475 1432 1 5 . 1 1 33 33 ASN CA C 33 51.229 51.229 51.000 0.229 18475 1433 1 5 . 1 1 33 33 ASN CB C 33 42.413 42.413 41.152 1.261 18475 1434 1 5 . 1 1 33 33 ASN H H 33 7.536 7.536 8.058 -0.522 18475 1435 1 5 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.387 0.100 18475 1436 1 5 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.768 0.992 18475 1437 1 5 . 1 1 34 34 PRO CB C 34 31.414 31.414 31.422 -0.009 18475 1438 1 5 . 1 1 35 35 GLY N N 35 110.626 110.626 112.164 -1.538 18475 1439 1 5 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.111 0.529 18475 1440 1 5 . 1 1 35 35 GLY H H 35 8.911 8.911 8.391 0.520 18475 1441 1 5 . 1 1 36 36 LEU N N 36 121.614 121.614 121.787 -0.173 18475 1442 1 5 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.345 -0.098 18475 1443 1 5 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.842 -0.118 18475 1444 1 5 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.665 0.316 18475 1445 1 5 . 1 1 36 36 LEU H H 36 7.974 7.974 7.505 0.469 18475 1446 1 5 . 1 1 37 37 ALA N N 37 120.690 120.690 122.180 -1.490 18475 1447 1 5 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.060 0.083 18475 1448 1 5 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.944 -0.502 18475 1449 1 5 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.373 0.625 18475 1450 1 5 . 1 1 37 37 ALA H H 37 8.215 8.215 8.557 -0.342 18475 1451 1 5 . 1 1 38 38 GLU N N 38 115.505 115.505 117.632 -2.127 18475 1452 1 5 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.292 -0.001 18475 1453 1 5 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.609 0.379 18475 1454 1 5 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.178 0.661 18475 1455 1 5 . 1 1 38 38 GLU H H 38 7.982 7.982 8.526 -0.544 18475 1456 1 5 . 1 1 39 39 LEU N N 39 119.888 119.888 122.739 -2.851 18475 1457 1 5 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.203 0.066 18475 1458 1 5 . 1 1 39 39 LEU CA C 39 55.940 55.940 55.683 0.257 18475 1459 1 5 . 1 1 39 39 LEU CB C 39 42.308 42.308 43.179 -0.871 18475 1460 1 5 . 1 1 39 39 LEU H H 39 7.760 7.760 7.719 0.041 18475 1461 1 5 . 1 1 40 40 GLY N N 40 105.788 105.788 105.868 -0.080 18475 1462 1 5 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.282 0.168 18475 1463 1 5 . 1 1 40 40 GLY H H 40 7.863 7.863 7.442 0.421 18475 1464 1 5 . 1 1 41 41 ALA N N 41 120.963 120.963 122.258 -1.295 18475 1465 1 5 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.267 -0.086 18475 1466 1 5 . 1 1 41 41 ALA CA C 41 54.089 54.089 53.513 0.576 18475 1467 1 5 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.239 0.182 18475 1468 1 5 . 1 1 41 41 ALA H H 41 7.956 7.956 8.100 -0.144 18475 1469 1 5 . 1 1 42 42 VAL N N 42 116.969 116.969 118.680 -1.711 18475 1470 1 5 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.195 0.011 18475 1471 1 5 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.537 0.121 18475 1472 1 5 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.960 -0.630 18475 1473 1 5 . 1 1 42 42 VAL H H 42 7.848 7.848 7.798 0.050 18475 1474 1 5 . 1 1 43 43 LEU N N 43 129.206 129.206 122.814 6.392 18475 1475 1 5 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.836 -0.365 18475 1476 1 5 . 1 1 43 43 LEU CA C 43 52.410 52.410 51.230 1.180 18475 1477 1 5 . 1 1 43 43 LEU CB C 43 42.204 42.204 40.711 1.493 18475 1478 1 5 . 1 1 43 43 LEU H H 43 8.764 8.764 8.131 0.633 18475 1479 1 5 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.626 -0.196 18475 1480 1 5 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.743 -0.317 18475 1481 1 5 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.234 -0.377 18475 1482 1 5 . 1 1 45 45 HIS N N 45 126.707 126.707 119.443 7.264 18475 1483 1 5 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.562 -0.545 18475 1484 1 5 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.362 1.385 18475 1485 1 5 . 1 1 45 45 HIS CB C 45 31.007 31.007 29.686 1.321 18475 1486 1 5 . 1 1 45 45 HIS H H 45 8.880 8.880 8.572 0.308 18475 1487 1 5 . 1 1 46 46 GLY N N 46 115.148 115.148 114.729 0.419 18475 1488 1 5 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.792 0.299 18475 1489 1 5 . 1 1 46 46 GLY H H 46 9.143 9.143 9.102 0.041 18475 1490 1 5 . 1 1 47 47 THR N N 47 117.455 117.455 120.581 -3.126 18475 1491 1 5 . 1 1 47 47 THR HA H 47 3.919 3.919 4.129 -0.210 18475 1492 1 5 . 1 1 47 47 THR CA C 47 65.329 65.329 64.571 0.758 18475 1493 1 5 . 1 1 47 47 THR CB C 47 70.171 70.171 69.086 1.085 18475 1494 1 5 . 1 1 47 47 THR H H 47 7.680 7.680 7.568 0.112 18475 1495 1 5 . 1 1 48 48 ALA N N 48 131.425 131.425 130.090 1.335 18475 1496 1 5 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.779 -0.311 18475 1497 1 5 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.880 0.174 18475 1498 1 5 . 1 1 48 48 ALA CB C 48 19.536 19.536 20.139 -0.603 18475 1499 1 5 . 1 1 48 48 ALA H H 48 8.777 8.777 8.282 0.495 18475 1500 1 5 . 1 1 49 49 VAL N N 49 122.720 122.720 120.884 1.836 18475 1501 1 5 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.276 -0.318 18475 1502 1 5 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.268 0.154 18475 1503 1 5 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.870 -0.896 18475 1504 1 5 . 1 1 49 49 VAL H H 49 8.564 8.564 8.482 0.082 18475 1505 1 5 . 1 1 50 50 GLU N N 50 129.105 129.105 127.000 2.105 18475 1506 1 5 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.259 0.069 18475 1507 1 5 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.253 -0.384 18475 1508 1 5 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.661 -0.884 18475 1509 1 5 . 1 1 50 50 GLU H H 50 9.632 9.632 8.623 1.008 18475 1510 1 5 . 1 1 51 51 LEU N N 51 126.085 126.085 129.037 -2.952 18475 1511 1 5 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.751 0.193 18475 1512 1 5 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.610 -0.626 18475 1513 1 5 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.472 -0.554 18475 1514 1 5 . 1 1 51 51 LEU H H 51 8.474 8.474 8.404 0.070 18475 1515 1 5 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.482 0.010 18475 1516 1 5 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.654 -0.524 18475 1517 1 5 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.336 0.251 18475 1518 1 5 . 1 1 53 53 ASP N N 53 120.950 120.950 118.814 2.136 18475 1519 1 5 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.420 0.255 18475 1520 1 5 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.338 -0.218 18475 1521 1 5 . 1 1 53 53 ASP CB C 53 40.490 40.490 39.925 0.565 18475 1522 1 5 . 1 1 53 53 ASP H H 53 8.737 8.737 8.593 0.144 18475 1523 1 5 . 1 1 54 54 VAL N N 54 121.459 121.459 119.035 2.424 18475 1524 1 5 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.314 -0.117 18475 1525 1 5 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.076 0.954 18475 1526 1 5 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.520 -1.194 18475 1527 1 5 . 1 1 54 54 VAL H H 54 8.161 8.161 7.927 0.234 18475 1528 1 5 . 1 1 55 55 GLN N N 55 124.703 124.703 123.150 1.553 18475 1529 1 5 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.114 0.317 18475 1530 1 5 . 1 1 55 55 GLN CA C 55 56.109 56.109 56.879 -0.770 18475 1531 1 5 . 1 1 55 55 GLN CB C 55 29.484 29.484 28.106 1.378 18475 1532 1 5 . 1 1 55 55 GLN H H 55 8.623 8.623 8.795 -0.172 18475 1533 1 5 . 1 1 56 56 THR HA H 56 4.332 4.332 4.499 -0.167 18475 1534 1 5 . 1 1 56 56 THR CA C 56 61.688 61.688 60.604 1.084 18475 1535 1 5 . 1 1 56 56 THR CB C 56 69.969 69.969 70.295 -0.326 18475 1536 1 5 . 1 1 57 57 ALA N N 57 127.534 127.534 123.567 3.967 18475 1537 1 5 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.407 0.246 18475 1538 1 5 . 1 1 57 57 ALA CA C 57 50.572 50.572 51.189 -0.617 18475 1539 1 5 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.219 0.178 18475 1540 1 5 . 1 1 57 57 ALA H H 57 8.277 8.277 8.292 -0.015 18475 1541 1 5 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.378 0.106 18475 1542 1 5 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.915 -0.505 18475 1543 1 5 . 1 1 58 58 PRO CB C 58 32.030 32.030 30.322 1.708 18475 1544 1 5 . 1 1 59 59 VAL N N 59 120.618 120.618 122.898 -2.280 18475 1545 1 5 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.424 -0.357 18475 1546 1 5 . 1 1 59 59 VAL CA C 59 62.396 62.396 60.347 2.049 18475 1547 1 5 . 1 1 59 59 VAL CB C 59 32.832 32.832 30.649 2.183 18475 1548 1 5 . 1 1 59 59 VAL H H 59 8.219 8.219 7.835 0.384 18475 1549 1 5 . 1 1 60 60 ALA N N 60 127.858 127.858 127.423 0.435 18475 1550 1 5 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.437 -0.115 18475 1551 1 5 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.278 0.363 18475 1552 1 5 . 1 1 60 60 ALA CB C 60 19.368 19.368 21.126 -1.758 18475 1553 1 5 . 1 1 60 60 ALA H H 60 8.399 8.399 7.635 0.764 18475 1554 1 5 . 1 1 61 61 GLU N N 61 120.215 120.215 123.710 -3.495 18475 1555 1 5 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.606 -0.301 18475 1556 1 5 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.030 0.748 18475 1557 1 5 . 1 1 61 61 GLU CB C 61 30.357 30.357 28.230 2.127 18475 1558 1 5 . 1 1 61 61 GLU H H 61 8.405 8.405 8.736 -0.331 18475 1559 1 5 . 1 1 62 62 THR N N 62 115.392 115.392 112.041 3.351 18475 1560 1 5 . 1 1 62 62 THR HA H 62 4.327 4.327 4.577 -0.250 18475 1561 1 5 . 1 1 62 62 THR CA C 62 61.984 61.984 61.261 0.723 18475 1562 1 5 . 1 1 62 62 THR CB C 62 69.856 69.856 70.561 -0.705 18475 1563 1 5 . 1 1 62 62 THR H H 62 8.166 8.166 7.774 0.392 18475 1564 1 5 . 1 1 63 63 VAL N N 63 122.511 122.511 119.794 2.717 18475 1565 1 5 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.483 -0.436 18475 1566 1 5 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.832 0.440 18475 1567 1 5 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.794 -0.941 18475 1568 1 5 . 1 1 63 63 VAL H H 63 8.099 8.099 8.733 -0.634 18475 1569 1 5 . 1 1 64 64 ASN N N 64 122.642 122.642 125.457 -2.815 18475 1570 1 5 . 1 1 64 64 ASN HA H 64 4.623 4.623 5.487 -0.864 18475 1571 1 5 . 1 1 64 64 ASN CA C 64 52.901 52.901 52.170 0.731 18475 1572 1 5 . 1 1 64 64 ASN CB C 64 38.541 38.541 40.347 -1.806 18475 1573 1 5 . 1 1 64 64 ASN H H 64 8.471 8.471 8.517 -0.046 18475 1574 1 5 . 1 1 65 65 LEU N N 65 123.365 123.365 116.173 7.192 18475 1575 1 5 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.461 -0.297 18475 1576 1 5 . 1 1 65 65 LEU CA C 65 56.164 56.164 53.654 2.510 18475 1577 1 5 . 1 1 65 65 LEU CB C 65 41.989 41.989 43.495 -1.506 18475 1578 1 5 . 1 1 65 65 LEU H H 65 8.226 8.226 8.299 -0.073 18475 1579 1 5 . 1 1 66 66 TRP N N 66 119.270 119.270 121.731 -2.461 18475 1580 1 5 . 1 1 66 66 TRP HA H 66 4.644 4.644 5.115 -0.471 18475 1581 1 5 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.164 0.654 18475 1582 1 5 . 1 1 66 66 TRP CB C 66 29.145 29.145 31.025 -1.880 18475 1583 1 5 . 1 1 66 66 TRP H H 66 7.886 7.886 8.113 -0.227 18475 1584 1 5 . 1 1 67 67 GLU N N 67 121.087 121.087 121.415 -0.328 18475 1585 1 5 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.573 -0.349 18475 1586 1 5 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.709 0.274 18475 1587 1 5 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.248 -0.037 18475 1588 1 5 . 1 1 67 67 GLU H H 67 7.982 7.982 8.563 -0.581 18475 1589 1 5 . 1 1 68 68 VAL N N 68 119.603 119.603 121.549 -1.946 18475 1590 1 5 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.382 -0.395 18475 1591 1 5 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.337 0.492 18475 1592 1 5 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.479 0.255 18475 1593 1 5 . 1 1 68 68 VAL H H 68 7.836 7.836 8.282 -0.446 18475 1594 1 5 . 1 1 69 69 GLU N N 69 122.754 122.754 122.355 0.399 18475 1595 1 5 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.298 -0.115 18475 1596 1 5 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.349 0.537 18475 1597 1 5 . 1 1 69 69 GLU CB C 69 30.236 30.236 27.881 2.356 18475 1598 1 5 . 1 1 69 69 GLU H H 69 8.287 8.287 8.312 -0.025 18475 1599 1 5 . 1 1 70 70 HIS N N 70 119.727 119.727 122.444 -2.717 18475 1600 1 5 . 1 1 70 70 HIS H H 70 8.145 8.145 8.181 -0.036 18475 1601 1 6 . 1 1 2 2 LYS N N 2 125.102 125.102 125.710 -0.608 18475 1602 1 6 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.518 -0.728 18475 1603 1 6 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.868 0.481 18475 1604 1 6 . 1 1 2 2 LYS CB C 2 34.348 34.348 35.968 -1.621 18475 1605 1 6 . 1 1 2 2 LYS H H 2 8.576 8.576 8.389 0.187 18475 1606 1 6 . 1 1 3 3 THR N N 3 118.344 118.344 114.654 3.690 18475 1607 1 6 . 1 1 3 3 THR HA H 3 4.431 4.431 4.211 0.220 18475 1608 1 6 . 1 1 3 3 THR CA C 3 58.999 58.999 60.646 -1.647 18475 1609 1 6 . 1 1 3 3 THR CB C 3 70.310 70.310 69.774 0.536 18475 1610 1 6 . 1 1 3 3 THR H H 3 8.411 8.411 8.225 0.186 18475 1611 1 6 . 1 1 4 4 PHE N N 4 119.203 119.203 122.519 -3.316 18475 1612 1 6 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.710 0.555 18475 1613 1 6 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.172 -0.573 18475 1614 1 6 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.447 2.074 18475 1615 1 6 . 1 1 4 4 PHE H H 4 7.738 7.738 8.126 -0.388 18475 1616 1 6 . 1 1 5 5 ALA N N 5 125.356 125.356 127.095 -1.739 18475 1617 1 6 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.751 -0.427 18475 1618 1 6 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.219 1.495 18475 1619 1 6 . 1 1 5 5 ALA CB C 5 19.937 19.937 19.452 0.485 18475 1620 1 6 . 1 1 5 5 ALA H H 5 9.071 9.071 8.983 0.088 18475 1621 1 6 . 1 1 6 6 LEU N N 6 126.309 126.309 124.348 1.961 18475 1622 1 6 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.753 -0.245 18475 1623 1 6 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.466 0.931 18475 1624 1 6 . 1 1 6 6 LEU CB C 6 42.307 42.307 43.977 -1.670 18475 1625 1 6 . 1 1 6 6 LEU H H 6 9.657 9.657 8.252 1.405 18475 1626 1 6 . 1 1 7 7 GLN N N 7 119.930 119.930 120.457 -0.527 18475 1627 1 6 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.011 0.166 18475 1628 1 6 . 1 1 7 7 GLN CA C 7 57.510 57.510 58.009 -0.499 18475 1629 1 6 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.933 -0.995 18475 1630 1 6 . 1 1 7 7 GLN H H 7 8.647 8.647 8.554 0.093 18475 1631 1 6 . 1 1 8 8 GLY N N 8 117.081 117.081 113.414 3.667 18475 1632 1 6 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.474 -0.129 18475 1633 1 6 . 1 1 8 8 GLY H H 8 9.812 9.812 8.806 1.006 18475 1634 1 6 . 1 1 9 9 ASP N N 9 121.569 121.569 118.573 2.996 18475 1635 1 6 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.917 -0.258 18475 1636 1 6 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.535 2.104 18475 1637 1 6 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.306 0.821 18475 1638 1 6 . 1 1 9 9 ASP H H 9 8.085 8.085 8.552 -0.467 18475 1639 1 6 . 1 1 10 10 THR N N 10 106.071 106.071 112.793 -6.722 18475 1640 1 6 . 1 1 10 10 THR HA H 10 4.984 4.984 4.379 0.605 18475 1641 1 6 . 1 1 10 10 THR CA C 10 58.309 58.309 61.663 -3.354 18475 1642 1 6 . 1 1 10 10 THR CB C 10 72.680 72.680 70.040 2.640 18475 1643 1 6 . 1 1 10 10 THR H H 10 6.920 6.920 7.522 -0.602 18475 1644 1 6 . 1 1 11 11 LEU N N 11 122.591 122.591 119.912 2.679 18475 1645 1 6 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.972 0.159 18475 1646 1 6 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.542 -0.215 18475 1647 1 6 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.407 0.015 18475 1648 1 6 . 1 1 11 11 LEU H H 11 9.621 9.621 8.530 1.091 18475 1649 1 6 . 1 1 12 12 ASP N N 12 118.388 118.388 118.801 -0.413 18475 1650 1 6 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.370 -0.229 18475 1651 1 6 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.381 0.428 18475 1652 1 6 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.652 -0.186 18475 1653 1 6 . 1 1 12 12 ASP H H 12 8.561 8.561 8.100 0.461 18475 1654 1 6 . 1 1 13 13 ALA N N 13 121.142 121.142 121.748 -0.606 18475 1655 1 6 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.329 -0.308 18475 1656 1 6 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.436 0.801 18475 1657 1 6 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.457 -0.948 18475 1658 1 6 . 1 1 13 13 ALA H H 13 7.870 7.870 7.680 0.190 18475 1659 1 6 . 1 1 14 14 ILE N N 14 119.983 119.983 119.498 0.485 18475 1660 1 6 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.651 -0.031 18475 1661 1 6 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.988 0.078 18475 1662 1 6 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.906 0.717 18475 1663 1 6 . 1 1 14 14 ILE H H 14 8.043 8.043 8.522 -0.479 18475 1664 1 6 . 1 1 15 15 CYS N N 15 117.727 117.727 116.449 1.278 18475 1665 1 6 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.258 0.219 18475 1666 1 6 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.182 1.239 18475 1667 1 6 . 1 1 15 15 CYS CB C 15 26.368 26.368 27.597 -1.229 18475 1668 1 6 . 1 1 15 15 CYS H H 15 8.477 8.477 8.695 -0.218 18475 1669 1 6 . 1 1 16 16 VAL N N 16 120.808 120.808 119.311 1.497 18475 1670 1 6 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.993 -0.675 18475 1671 1 6 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.684 1.914 18475 1672 1 6 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.590 -0.207 18475 1673 1 6 . 1 1 16 16 VAL H H 16 8.477 8.477 8.092 0.385 18475 1674 1 6 . 1 1 17 17 ARG N N 17 119.589 119.589 119.904 -0.315 18475 1675 1 6 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.186 -0.250 18475 1676 1 6 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.535 1.649 18475 1677 1 6 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.133 0.548 18475 1678 1 6 . 1 1 17 17 ARG H H 17 7.963 7.963 8.319 -0.356 18475 1679 1 6 . 1 1 18 18 TYR N N 18 113.897 113.897 117.155 -3.258 18475 1680 1 6 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.311 0.070 18475 1681 1 6 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.276 0.835 18475 1682 1 6 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.730 0.281 18475 1683 1 6 . 1 1 18 18 TYR H H 18 7.833 7.833 8.010 -0.177 18475 1684 1 6 . 1 1 19 19 TYR N N 19 115.270 115.270 114.297 0.973 18475 1685 1 6 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.510 0.235 18475 1686 1 6 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.711 -0.371 18475 1687 1 6 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.557 0.333 18475 1688 1 6 . 1 1 19 19 TYR H H 19 8.936 8.936 7.679 1.257 18475 1689 1 6 . 1 1 20 20 GLY N N 20 108.099 108.099 106.162 1.937 18475 1690 1 6 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.148 0.652 18475 1691 1 6 . 1 1 20 20 GLY H H 20 7.921 7.921 8.575 -0.654 18475 1692 1 6 . 1 1 21 21 ARG N N 21 115.116 115.116 117.449 -2.333 18475 1693 1 6 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.700 0.033 18475 1694 1 6 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.586 0.134 18475 1695 1 6 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.519 -0.254 18475 1696 1 6 . 1 1 21 21 ARG H H 21 7.495 7.495 7.813 -0.318 18475 1697 1 6 . 1 1 22 22 THR N N 22 106.239 106.239 108.633 -2.394 18475 1698 1 6 . 1 1 22 22 THR HA H 22 4.320 4.320 4.487 -0.167 18475 1699 1 6 . 1 1 22 22 THR CA C 22 62.284 62.284 62.620 -0.335 18475 1700 1 6 . 1 1 22 22 THR CB C 22 69.292 69.292 70.065 -0.773 18475 1701 1 6 . 1 1 22 22 THR H H 22 8.162 8.162 8.341 -0.179 18475 1702 1 6 . 1 1 23 23 GLU N N 23 126.964 126.964 122.261 4.703 18475 1703 1 6 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.170 -0.005 18475 1704 1 6 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.002 1.750 18475 1705 1 6 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.228 0.752 18475 1706 1 6 . 1 1 23 23 GLU H H 23 8.543 8.543 8.113 0.430 18475 1707 1 6 . 1 1 24 24 GLY N N 24 115.618 115.618 112.982 2.636 18475 1708 1 6 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.777 0.238 18475 1709 1 6 . 1 1 24 24 GLY H H 24 9.112 9.112 8.633 0.479 18475 1710 1 6 . 1 1 25 25 VAL N N 25 118.084 118.084 119.947 -1.863 18475 1711 1 6 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.939 0.065 18475 1712 1 6 . 1 1 25 25 VAL CA C 25 63.479 63.479 64.648 -1.169 18475 1713 1 6 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.767 1.116 18475 1714 1 6 . 1 1 25 25 VAL H H 25 7.860 7.860 7.228 0.632 18475 1715 1 6 . 1 1 26 26 VAL N N 26 121.094 121.094 118.088 3.006 18475 1716 1 6 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.692 0.065 18475 1717 1 6 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.894 0.966 18475 1718 1 6 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.919 0.971 18475 1719 1 6 . 1 1 26 26 VAL H H 26 8.101 8.101 8.052 0.049 18475 1720 1 6 . 1 1 27 27 GLU N N 27 119.186 119.186 119.378 -0.192 18475 1721 1 6 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.037 -0.055 18475 1722 1 6 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.517 1.143 18475 1723 1 6 . 1 1 27 27 GLU CB C 27 28.456 28.456 28.731 -0.275 18475 1724 1 6 . 1 1 27 27 GLU H H 27 8.910 8.910 8.837 0.073 18475 1725 1 6 . 1 1 28 28 THR N N 28 117.846 117.846 117.043 0.803 18475 1726 1 6 . 1 1 28 28 THR HA H 28 3.980 3.980 4.113 -0.133 18475 1727 1 6 . 1 1 28 28 THR CA C 28 66.119 66.119 66.539 -0.420 18475 1728 1 6 . 1 1 28 28 THR CB C 28 68.459 68.459 68.633 -0.174 18475 1729 1 6 . 1 1 28 28 THR H H 28 7.502 7.502 7.931 -0.429 18475 1730 1 6 . 1 1 29 29 VAL N N 29 123.919 123.919 121.668 2.251 18475 1731 1 6 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.639 -0.212 18475 1732 1 6 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.512 0.887 18475 1733 1 6 . 1 1 29 29 VAL CB C 29 31.565 31.565 31.050 0.515 18475 1734 1 6 . 1 1 29 29 VAL H H 29 8.025 8.025 7.571 0.454 18475 1735 1 6 . 1 1 30 30 LEU N N 30 122.820 122.820 119.792 3.028 18475 1736 1 6 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.094 -0.119 18475 1737 1 6 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.816 1.136 18475 1738 1 6 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.592 -0.132 18475 1739 1 6 . 1 1 30 30 LEU H H 30 8.971 8.971 8.118 0.853 18475 1740 1 6 . 1 1 31 31 ALA N N 31 120.021 120.021 120.124 -0.103 18475 1741 1 6 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.119 -0.021 18475 1742 1 6 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.592 -0.021 18475 1743 1 6 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.676 -0.761 18475 1744 1 6 . 1 1 31 31 ALA H H 31 7.652 7.652 7.513 0.139 18475 1745 1 6 . 1 1 32 32 ALA N N 32 117.285 117.285 118.526 -1.241 18475 1746 1 6 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.452 -0.058 18475 1747 1 6 . 1 1 32 32 ALA CA C 32 52.024 52.024 52.741 -0.717 18475 1748 1 6 . 1 1 32 32 ALA CB C 32 19.367 19.367 20.140 -0.773 18475 1749 1 6 . 1 1 32 32 ALA H H 32 7.278 7.278 7.579 -0.301 18475 1750 1 6 . 1 1 33 33 ASN N N 33 116.716 116.716 116.724 -0.008 18475 1751 1 6 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.188 -0.002 18475 1752 1 6 . 1 1 33 33 ASN CA C 33 51.229 51.229 51.022 0.207 18475 1753 1 6 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.715 1.698 18475 1754 1 6 . 1 1 33 33 ASN H H 33 7.536 7.536 8.087 -0.551 18475 1755 1 6 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.522 -0.035 18475 1756 1 6 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.998 0.762 18475 1757 1 6 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.084 -0.670 18475 1758 1 6 . 1 1 35 35 GLY N N 35 110.626 110.626 111.388 -0.762 18475 1759 1 6 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.102 0.538 18475 1760 1 6 . 1 1 35 35 GLY H H 35 8.911 8.911 8.651 0.260 18475 1761 1 6 . 1 1 36 36 LEU N N 36 121.614 121.614 122.166 -0.552 18475 1762 1 6 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.362 -0.115 18475 1763 1 6 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.876 -0.152 18475 1764 1 6 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.464 0.517 18475 1765 1 6 . 1 1 36 36 LEU H H 36 7.974 7.974 7.493 0.481 18475 1766 1 6 . 1 1 37 37 ALA N N 37 120.690 120.690 121.701 -1.011 18475 1767 1 6 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.060 0.083 18475 1768 1 6 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.692 -0.250 18475 1769 1 6 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.599 0.399 18475 1770 1 6 . 1 1 37 37 ALA H H 37 8.215 8.215 8.271 -0.056 18475 1771 1 6 . 1 1 38 38 GLU N N 38 115.505 115.505 116.528 -1.023 18475 1772 1 6 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.284 0.007 18475 1773 1 6 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.524 0.464 18475 1774 1 6 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.043 0.797 18475 1775 1 6 . 1 1 38 38 GLU H H 38 7.982 7.982 8.259 -0.277 18475 1776 1 6 . 1 1 39 39 LEU N N 39 119.888 119.888 120.069 -0.181 18475 1777 1 6 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.085 0.184 18475 1778 1 6 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.221 -0.281 18475 1779 1 6 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.557 -0.249 18475 1780 1 6 . 1 1 39 39 LEU H H 39 7.760 7.760 7.430 0.330 18475 1781 1 6 . 1 1 40 40 GLY N N 40 105.788 105.788 105.742 0.046 18475 1782 1 6 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.492 -0.042 18475 1783 1 6 . 1 1 40 40 GLY H H 40 7.863 7.863 7.645 0.218 18475 1784 1 6 . 1 1 41 41 ALA N N 41 120.963 120.963 123.413 -2.450 18475 1785 1 6 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.347 -0.166 18475 1786 1 6 . 1 1 41 41 ALA CA C 41 54.089 54.089 51.848 2.241 18475 1787 1 6 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.286 0.135 18475 1788 1 6 . 1 1 41 41 ALA H H 41 7.956 7.956 8.239 -0.283 18475 1789 1 6 . 1 1 42 42 VAL N N 42 116.969 116.969 119.998 -3.029 18475 1790 1 6 . 1 1 42 42 VAL HA H 42 4.206 4.206 3.966 0.240 18475 1791 1 6 . 1 1 42 42 VAL CA C 42 61.658 61.658 62.659 -1.001 18475 1792 1 6 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.506 -0.176 18475 1793 1 6 . 1 1 42 42 VAL H H 42 7.848 7.848 8.086 -0.238 18475 1794 1 6 . 1 1 43 43 LEU N N 43 129.206 129.206 128.470 0.736 18475 1795 1 6 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.488 -0.017 18475 1796 1 6 . 1 1 43 43 LEU CA C 43 52.410 52.410 53.231 -0.821 18475 1797 1 6 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.021 1.183 18475 1798 1 6 . 1 1 43 43 LEU H H 43 8.764 8.764 8.420 0.344 18475 1799 1 6 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.460 -0.030 18475 1800 1 6 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.599 -0.173 18475 1801 1 6 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.033 -0.176 18475 1802 1 6 . 1 1 45 45 HIS N N 45 126.707 126.707 120.578 6.129 18475 1803 1 6 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.539 -0.522 18475 1804 1 6 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.647 1.100 18475 1805 1 6 . 1 1 45 45 HIS CB C 45 31.007 31.007 28.358 2.648 18475 1806 1 6 . 1 1 45 45 HIS H H 45 8.880 8.880 8.622 0.258 18475 1807 1 6 . 1 1 46 46 GLY N N 46 115.148 115.148 112.794 2.354 18475 1808 1 6 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.904 0.188 18475 1809 1 6 . 1 1 46 46 GLY H H 46 9.143 9.143 8.511 0.632 18475 1810 1 6 . 1 1 47 47 THR N N 47 117.455 117.455 120.628 -3.173 18475 1811 1 6 . 1 1 47 47 THR HA H 47 3.919 3.919 4.484 -0.565 18475 1812 1 6 . 1 1 47 47 THR CA C 47 65.329 65.329 63.010 2.319 18475 1813 1 6 . 1 1 47 47 THR CB C 47 70.171 70.171 69.233 0.938 18475 1814 1 6 . 1 1 47 47 THR H H 47 7.680 7.680 7.936 -0.256 18475 1815 1 6 . 1 1 48 48 ALA N N 48 131.425 131.425 131.184 0.241 18475 1816 1 6 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.824 -0.356 18475 1817 1 6 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.512 0.542 18475 1818 1 6 . 1 1 48 48 ALA CB C 48 19.536 19.536 20.052 -0.516 18475 1819 1 6 . 1 1 48 48 ALA H H 48 8.777 8.777 8.753 0.024 18475 1820 1 6 . 1 1 49 49 VAL N N 49 122.720 122.720 121.005 1.715 18475 1821 1 6 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.278 -0.320 18475 1822 1 6 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.251 0.171 18475 1823 1 6 . 1 1 49 49 VAL CB C 49 34.974 34.974 36.484 -1.510 18475 1824 1 6 . 1 1 49 49 VAL H H 49 8.564 8.564 8.315 0.249 18475 1825 1 6 . 1 1 50 50 GLU N N 50 129.105 129.105 125.701 3.404 18475 1826 1 6 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.337 -0.009 18475 1827 1 6 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.150 -0.281 18475 1828 1 6 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.629 -0.852 18475 1829 1 6 . 1 1 50 50 GLU H H 50 9.632 9.632 8.520 1.112 18475 1830 1 6 . 1 1 51 51 LEU N N 51 126.085 126.085 128.237 -2.152 18475 1831 1 6 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.832 0.112 18475 1832 1 6 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.812 -0.828 18475 1833 1 6 . 1 1 51 51 LEU CB C 51 40.919 40.919 40.991 -0.072 18475 1834 1 6 . 1 1 51 51 LEU H H 51 8.474 8.474 8.764 -0.290 18475 1835 1 6 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.530 -0.038 18475 1836 1 6 . 1 1 52 52 PRO CA C 52 62.130 62.130 63.281 -1.151 18475 1837 1 6 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.213 0.374 18475 1838 1 6 . 1 1 53 53 ASP N N 53 120.950 120.950 118.048 2.902 18475 1839 1 6 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.395 0.280 18475 1840 1 6 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.521 -0.401 18475 1841 1 6 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.345 0.145 18475 1842 1 6 . 1 1 53 53 ASP H H 53 8.737 8.737 8.571 0.166 18475 1843 1 6 . 1 1 54 54 VAL N N 54 121.459 121.459 118.834 2.625 18475 1844 1 6 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.321 -0.124 18475 1845 1 6 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.382 0.648 18475 1846 1 6 . 1 1 54 54 VAL CB C 54 33.327 33.327 32.838 0.489 18475 1847 1 6 . 1 1 54 54 VAL H H 54 8.161 8.161 7.828 0.333 18475 1848 1 6 . 1 1 55 55 GLN N N 55 124.703 124.703 124.018 0.685 18475 1849 1 6 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.635 -0.204 18475 1850 1 6 . 1 1 55 55 GLN CA C 55 56.109 56.109 54.782 1.327 18475 1851 1 6 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.927 -0.444 18475 1852 1 6 . 1 1 55 55 GLN H H 55 8.623 8.623 8.213 0.410 18475 1853 1 6 . 1 1 56 56 THR HA H 56 4.332 4.332 3.966 0.366 18475 1854 1 6 . 1 1 56 56 THR CA C 56 61.688 61.688 61.930 -0.242 18475 1855 1 6 . 1 1 56 56 THR CB C 56 69.969 69.969 67.418 2.551 18475 1856 1 6 . 1 1 57 57 ALA N N 57 127.534 127.534 123.611 3.923 18475 1857 1 6 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.602 0.051 18475 1858 1 6 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.196 0.376 18475 1859 1 6 . 1 1 57 57 ALA CB C 57 18.397 18.397 20.747 -2.350 18475 1860 1 6 . 1 1 57 57 ALA H H 57 8.277 8.277 7.698 0.579 18475 1861 1 6 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.479 0.005 18475 1862 1 6 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.974 -0.564 18475 1863 1 6 . 1 1 58 58 PRO CB C 58 32.030 32.030 31.419 0.611 18475 1864 1 6 . 1 1 59 59 VAL N N 59 120.618 120.618 123.912 -3.294 18475 1865 1 6 . 1 1 59 59 VAL HA H 59 4.067 4.067 3.843 0.224 18475 1866 1 6 . 1 1 59 59 VAL CA C 59 62.396 62.396 63.127 -0.731 18475 1867 1 6 . 1 1 59 59 VAL CB C 59 32.832 32.832 32.839 -0.007 18475 1868 1 6 . 1 1 59 59 VAL H H 59 8.219 8.219 8.541 -0.322 18475 1869 1 6 . 1 1 60 60 ALA N N 60 127.858 127.858 129.918 -2.060 18475 1870 1 6 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.561 -0.239 18475 1871 1 6 . 1 1 60 60 ALA CA C 60 52.641 52.641 51.678 0.963 18475 1872 1 6 . 1 1 60 60 ALA CB C 60 19.368 19.368 20.284 -0.916 18475 1873 1 6 . 1 1 60 60 ALA H H 60 8.399 8.399 8.201 0.198 18475 1874 1 6 . 1 1 61 61 GLU N N 61 120.215 120.215 119.198 1.017 18475 1875 1 6 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.619 -0.314 18475 1876 1 6 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.477 0.301 18475 1877 1 6 . 1 1 61 61 GLU CB C 61 30.357 30.357 28.786 1.571 18475 1878 1 6 . 1 1 61 61 GLU H H 61 8.405 8.405 8.536 -0.131 18475 1879 1 6 . 1 1 62 62 THR N N 62 115.392 115.392 115.350 0.042 18475 1880 1 6 . 1 1 62 62 THR HA H 62 4.327 4.327 4.533 -0.206 18475 1881 1 6 . 1 1 62 62 THR CA C 62 61.984 61.984 61.853 0.131 18475 1882 1 6 . 1 1 62 62 THR CB C 62 69.856 69.856 70.330 -0.474 18475 1883 1 6 . 1 1 62 62 THR H H 62 8.166 8.166 7.765 0.401 18475 1884 1 6 . 1 1 63 63 VAL N N 63 122.511 122.511 121.666 0.845 18475 1885 1 6 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.340 -0.293 18475 1886 1 6 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.052 0.220 18475 1887 1 6 . 1 1 63 63 VAL CB C 63 32.853 32.853 34.376 -1.523 18475 1888 1 6 . 1 1 63 63 VAL H H 63 8.099 8.099 8.266 -0.167 18475 1889 1 6 . 1 1 64 64 ASN N N 64 122.642 122.642 124.312 -1.670 18475 1890 1 6 . 1 1 64 64 ASN HA H 64 4.623 4.623 5.495 -0.872 18475 1891 1 6 . 1 1 64 64 ASN CA C 64 52.901 52.901 52.441 0.460 18475 1892 1 6 . 1 1 64 64 ASN CB C 64 38.541 38.541 40.501 -1.960 18475 1893 1 6 . 1 1 64 64 ASN H H 64 8.471 8.471 8.637 -0.166 18475 1894 1 6 . 1 1 65 65 LEU N N 65 123.365 123.365 117.501 5.864 18475 1895 1 6 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.593 -0.429 18475 1896 1 6 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.055 2.109 18475 1897 1 6 . 1 1 65 65 LEU CB C 65 41.989 41.989 44.550 -2.561 18475 1898 1 6 . 1 1 65 65 LEU H H 65 8.226 8.226 8.208 0.018 18475 1899 1 6 . 1 1 66 66 TRP N N 66 119.270 119.270 124.060 -4.790 18475 1900 1 6 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.848 -0.204 18475 1901 1 6 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.906 0.913 18475 1902 1 6 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.276 -0.131 18475 1903 1 6 . 1 1 66 66 TRP H H 66 7.886 7.886 8.435 -0.549 18475 1904 1 6 . 1 1 67 67 GLU N N 67 121.087 121.087 123.588 -2.501 18475 1905 1 6 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.539 -0.315 18475 1906 1 6 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.078 0.905 18475 1907 1 6 . 1 1 67 67 GLU CB C 67 30.211 30.211 29.916 0.294 18475 1908 1 6 . 1 1 67 67 GLU H H 67 7.982 7.982 8.717 -0.735 18475 1909 1 6 . 1 1 68 68 VAL N N 68 119.603 119.603 120.026 -0.423 18475 1910 1 6 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.319 -0.332 18475 1911 1 6 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.271 0.558 18475 1912 1 6 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.480 0.254 18475 1913 1 6 . 1 1 68 68 VAL H H 68 7.836 7.836 7.928 -0.092 18475 1914 1 6 . 1 1 69 69 GLU N N 69 122.754 122.754 121.332 1.422 18475 1915 1 6 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.165 0.018 18475 1916 1 6 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.927 -0.041 18475 1917 1 6 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.198 1.038 18475 1918 1 6 . 1 1 69 69 GLU H H 69 8.287 8.287 8.208 0.079 18475 1919 1 6 . 1 1 70 70 HIS N N 70 119.727 119.727 123.214 -3.487 18475 1920 1 6 . 1 1 70 70 HIS H H 70 8.145 8.145 8.539 -0.394 18475 1921 1 7 . 1 1 2 2 LYS N N 2 125.102 125.102 121.775 3.327 18475 1922 1 7 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.454 -0.664 18475 1923 1 7 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.862 0.486 18475 1924 1 7 . 1 1 2 2 LYS CB C 2 34.348 34.348 36.449 -2.101 18475 1925 1 7 . 1 1 2 2 LYS H H 2 8.576 8.576 8.030 0.546 18475 1926 1 7 . 1 1 3 3 THR N N 3 118.344 118.344 115.259 3.085 18475 1927 1 7 . 1 1 3 3 THR HA H 3 4.431 4.431 4.240 0.191 18475 1928 1 7 . 1 1 3 3 THR CA C 3 58.999 58.999 60.297 -1.298 18475 1929 1 7 . 1 1 3 3 THR CB C 3 70.310 70.310 70.216 0.094 18475 1930 1 7 . 1 1 3 3 THR H H 3 8.411 8.411 8.013 0.398 18475 1931 1 7 . 1 1 4 4 PHE N N 4 119.203 119.203 122.194 -2.991 18475 1932 1 7 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.698 0.567 18475 1933 1 7 . 1 1 4 4 PHE CA C 4 55.599 55.599 55.952 -0.353 18475 1934 1 7 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.314 2.207 18475 1935 1 7 . 1 1 4 4 PHE H H 4 7.738 7.738 8.082 -0.344 18475 1936 1 7 . 1 1 5 5 ALA N N 5 125.356 125.356 127.532 -2.176 18475 1937 1 7 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.797 -0.473 18475 1938 1 7 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.333 1.381 18475 1939 1 7 . 1 1 5 5 ALA CB C 5 19.937 19.937 18.992 0.945 18475 1940 1 7 . 1 1 5 5 ALA H H 5 9.071 9.071 8.933 0.138 18475 1941 1 7 . 1 1 6 6 LEU N N 6 126.309 126.309 125.464 0.845 18475 1942 1 7 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.650 -0.142 18475 1943 1 7 . 1 1 6 6 LEU CA C 6 53.397 53.397 53.145 0.252 18475 1944 1 7 . 1 1 6 6 LEU CB C 6 42.307 42.307 44.444 -2.138 18475 1945 1 7 . 1 1 6 6 LEU H H 6 9.657 9.657 7.968 1.689 18475 1946 1 7 . 1 1 7 7 GLN N N 7 119.930 119.930 121.393 -1.463 18475 1947 1 7 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.068 0.109 18475 1948 1 7 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.845 -0.335 18475 1949 1 7 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.686 -0.747 18475 1950 1 7 . 1 1 7 7 GLN H H 7 8.647 8.647 8.791 -0.144 18475 1951 1 7 . 1 1 8 8 GLY N N 8 117.081 117.081 113.997 3.084 18475 1952 1 7 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.595 -0.250 18475 1953 1 7 . 1 1 8 8 GLY H H 8 9.812 9.812 8.972 0.840 18475 1954 1 7 . 1 1 9 9 ASP N N 9 121.569 121.569 118.911 2.658 18475 1955 1 7 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.943 -0.284 18475 1956 1 7 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.500 2.139 18475 1957 1 7 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.520 0.607 18475 1958 1 7 . 1 1 9 9 ASP H H 9 8.085 8.085 8.591 -0.506 18475 1959 1 7 . 1 1 10 10 THR N N 10 106.071 106.071 110.224 -4.153 18475 1960 1 7 . 1 1 10 10 THR HA H 10 4.984 4.984 4.388 0.596 18475 1961 1 7 . 1 1 10 10 THR CA C 10 58.309 58.309 60.523 -2.214 18475 1962 1 7 . 1 1 10 10 THR CB C 10 72.680 72.680 70.938 1.742 18475 1963 1 7 . 1 1 10 10 THR H H 10 6.920 6.920 7.442 -0.522 18475 1964 1 7 . 1 1 11 11 LEU N N 11 122.591 122.591 119.847 2.744 18475 1965 1 7 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.976 0.155 18475 1966 1 7 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.487 -0.160 18475 1967 1 7 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.436 -0.014 18475 1968 1 7 . 1 1 11 11 LEU H H 11 9.621 9.621 8.770 0.851 18475 1969 1 7 . 1 1 12 12 ASP N N 12 118.388 118.388 118.721 -0.333 18475 1970 1 7 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.368 -0.227 18475 1971 1 7 . 1 1 12 12 ASP CA C 12 57.809 57.809 56.881 0.928 18475 1972 1 7 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.708 -0.242 18475 1973 1 7 . 1 1 12 12 ASP H H 12 8.561 8.561 8.179 0.382 18475 1974 1 7 . 1 1 13 13 ALA N N 13 121.142 121.142 120.383 0.759 18475 1975 1 7 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.279 -0.258 18475 1976 1 7 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.084 1.153 18475 1977 1 7 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.457 -0.948 18475 1978 1 7 . 1 1 13 13 ALA H H 13 7.870 7.870 7.558 0.312 18475 1979 1 7 . 1 1 14 14 ILE N N 14 119.983 119.983 119.618 0.365 18475 1980 1 7 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.624 -0.004 18475 1981 1 7 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.663 0.403 18475 1982 1 7 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.857 0.766 18475 1983 1 7 . 1 1 14 14 ILE H H 14 8.043 8.043 8.575 -0.532 18475 1984 1 7 . 1 1 15 15 CYS N N 15 117.727 117.727 116.846 0.881 18475 1985 1 7 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.210 0.267 18475 1986 1 7 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.477 0.944 18475 1987 1 7 . 1 1 15 15 CYS CB C 15 26.368 26.368 27.488 -1.120 18475 1988 1 7 . 1 1 15 15 CYS H H 15 8.477 8.477 8.607 -0.130 18475 1989 1 7 . 1 1 16 16 VAL N N 16 120.808 120.808 119.552 1.256 18475 1990 1 7 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.885 -0.567 18475 1991 1 7 . 1 1 16 16 VAL CA C 16 67.598 67.598 66.079 1.519 18475 1992 1 7 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.968 -0.585 18475 1993 1 7 . 1 1 16 16 VAL H H 16 8.477 8.477 8.162 0.315 18475 1994 1 7 . 1 1 17 17 ARG N N 17 119.589 119.589 119.590 -0.001 18475 1995 1 7 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.187 -0.251 18475 1996 1 7 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.610 1.574 18475 1997 1 7 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.203 0.478 18475 1998 1 7 . 1 1 17 17 ARG H H 17 7.963 7.963 8.067 -0.104 18475 1999 1 7 . 1 1 18 18 TYR N N 18 113.897 113.897 118.137 -4.240 18475 2000 1 7 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.366 0.015 18475 2001 1 7 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.020 1.091 18475 2002 1 7 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.629 0.382 18475 2003 1 7 . 1 1 18 18 TYR H H 18 7.833 7.833 8.158 -0.325 18475 2004 1 7 . 1 1 19 19 TYR N N 19 115.270 115.270 115.881 -0.611 18475 2005 1 7 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.644 0.101 18475 2006 1 7 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.831 -0.491 18475 2007 1 7 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.269 0.621 18475 2008 1 7 . 1 1 19 19 TYR H H 19 8.936 8.936 7.607 1.329 18475 2009 1 7 . 1 1 20 20 GLY N N 20 108.099 108.099 106.533 1.566 18475 2010 1 7 . 1 1 20 20 GLY CA C 20 45.800 45.800 44.949 0.851 18475 2011 1 7 . 1 1 20 20 GLY H H 20 7.921 7.921 8.388 -0.467 18475 2012 1 7 . 1 1 21 21 ARG N N 21 115.116 115.116 117.571 -2.455 18475 2013 1 7 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.679 0.054 18475 2014 1 7 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.527 0.193 18475 2015 1 7 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.541 -0.276 18475 2016 1 7 . 1 1 21 21 ARG H H 21 7.495 7.495 7.819 -0.324 18475 2017 1 7 . 1 1 22 22 THR N N 22 106.239 106.239 109.545 -3.306 18475 2018 1 7 . 1 1 22 22 THR HA H 22 4.320 4.320 4.421 -0.101 18475 2019 1 7 . 1 1 22 22 THR CA C 22 62.284 62.284 62.364 -0.080 18475 2020 1 7 . 1 1 22 22 THR CB C 22 69.292 69.292 70.075 -0.783 18475 2021 1 7 . 1 1 22 22 THR H H 22 8.162 8.162 8.312 -0.150 18475 2022 1 7 . 1 1 23 23 GLU N N 23 126.964 126.964 122.716 4.248 18475 2023 1 7 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.038 0.127 18475 2024 1 7 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.189 1.563 18475 2025 1 7 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.974 0.006 18475 2026 1 7 . 1 1 23 23 GLU H H 23 8.543 8.543 8.261 0.282 18475 2027 1 7 . 1 1 24 24 GLY N N 24 115.618 115.618 113.738 1.880 18475 2028 1 7 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.615 0.400 18475 2029 1 7 . 1 1 24 24 GLY H H 24 9.112 9.112 8.682 0.430 18475 2030 1 7 . 1 1 25 25 VAL N N 25 118.084 118.084 121.524 -3.440 18475 2031 1 7 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.847 0.157 18475 2032 1 7 . 1 1 25 25 VAL CA C 25 63.479 63.479 65.317 -1.838 18475 2033 1 7 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.355 1.528 18475 2034 1 7 . 1 1 25 25 VAL H H 25 7.860 7.860 7.299 0.561 18475 2035 1 7 . 1 1 26 26 VAL N N 26 121.094 121.094 117.673 3.421 18475 2036 1 7 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.731 0.026 18475 2037 1 7 . 1 1 26 26 VAL CA C 26 66.861 66.861 66.187 0.674 18475 2038 1 7 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.242 0.648 18475 2039 1 7 . 1 1 26 26 VAL H H 26 8.101 8.101 7.955 0.146 18475 2040 1 7 . 1 1 27 27 GLU N N 27 119.186 119.186 118.674 0.512 18475 2041 1 7 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.103 -0.121 18475 2042 1 7 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.050 1.610 18475 2043 1 7 . 1 1 27 27 GLU CB C 27 28.456 28.456 28.710 -0.254 18475 2044 1 7 . 1 1 27 27 GLU H H 27 8.910 8.910 8.798 0.112 18475 2045 1 7 . 1 1 28 28 THR N N 28 117.846 117.846 117.191 0.655 18475 2046 1 7 . 1 1 28 28 THR HA H 28 3.980 3.980 4.041 -0.061 18475 2047 1 7 . 1 1 28 28 THR CA C 28 66.119 66.119 65.961 0.158 18475 2048 1 7 . 1 1 28 28 THR CB C 28 68.459 68.459 68.838 -0.379 18475 2049 1 7 . 1 1 28 28 THR H H 28 7.502 7.502 7.809 -0.307 18475 2050 1 7 . 1 1 29 29 VAL N N 29 123.919 123.919 122.417 1.502 18475 2051 1 7 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.703 -0.276 18475 2052 1 7 . 1 1 29 29 VAL CA C 29 67.399 67.399 65.500 1.899 18475 2053 1 7 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.788 0.777 18475 2054 1 7 . 1 1 29 29 VAL H H 29 8.025 8.025 7.601 0.424 18475 2055 1 7 . 1 1 30 30 LEU N N 30 122.820 122.820 118.638 4.182 18475 2056 1 7 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.943 0.032 18475 2057 1 7 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.695 1.257 18475 2058 1 7 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.466 -0.006 18475 2059 1 7 . 1 1 30 30 LEU H H 30 8.971 8.971 7.888 1.083 18475 2060 1 7 . 1 1 31 31 ALA N N 31 120.021 120.021 119.201 0.820 18475 2061 1 7 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.106 -0.008 18475 2062 1 7 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.406 0.165 18475 2063 1 7 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.165 -0.250 18475 2064 1 7 . 1 1 31 31 ALA H H 31 7.652 7.652 7.441 0.211 18475 2065 1 7 . 1 1 32 32 ALA N N 32 117.285 117.285 120.903 -3.618 18475 2066 1 7 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.189 0.205 18475 2067 1 7 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.479 -1.455 18475 2068 1 7 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.819 -0.452 18475 2069 1 7 . 1 1 32 32 ALA H H 32 7.278 7.278 7.676 -0.398 18475 2070 1 7 . 1 1 33 33 ASN N N 33 116.716 116.716 116.914 -0.198 18475 2071 1 7 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.156 0.030 18475 2072 1 7 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.951 0.278 18475 2073 1 7 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.046 2.367 18475 2074 1 7 . 1 1 33 33 ASN H H 33 7.536 7.536 8.148 -0.612 18475 2075 1 7 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.637 -0.150 18475 2076 1 7 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.891 0.870 18475 2077 1 7 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.154 -0.740 18475 2078 1 7 . 1 1 35 35 GLY N N 35 110.626 110.626 109.670 0.956 18475 2079 1 7 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.180 0.460 18475 2080 1 7 . 1 1 35 35 GLY H H 35 8.911 8.911 8.462 0.449 18475 2081 1 7 . 1 1 36 36 LEU N N 36 121.614 121.614 123.779 -2.165 18475 2082 1 7 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.103 0.144 18475 2083 1 7 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.464 -0.740 18475 2084 1 7 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.001 0.980 18475 2085 1 7 . 1 1 36 36 LEU H H 36 7.974 7.974 7.577 0.397 18475 2086 1 7 . 1 1 37 37 ALA N N 37 120.690 120.690 117.654 3.036 18475 2087 1 7 . 1 1 37 37 ALA HA H 37 4.143 4.143 3.984 0.159 18475 2088 1 7 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.544 -0.102 18475 2089 1 7 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.488 0.510 18475 2090 1 7 . 1 1 37 37 ALA H H 37 8.215 8.215 8.446 -0.231 18475 2091 1 7 . 1 1 38 38 GLU N N 38 115.505 115.505 116.298 -0.793 18475 2092 1 7 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.231 0.060 18475 2093 1 7 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.879 0.109 18475 2094 1 7 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.649 0.190 18475 2095 1 7 . 1 1 38 38 GLU H H 38 7.982 7.982 7.748 0.234 18475 2096 1 7 . 1 1 39 39 LEU N N 39 119.888 119.888 120.127 -0.239 18475 2097 1 7 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.020 0.249 18475 2098 1 7 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.757 -0.817 18475 2099 1 7 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.525 -0.217 18475 2100 1 7 . 1 1 39 39 LEU H H 39 7.760 7.760 7.676 0.084 18475 2101 1 7 . 1 1 40 40 GLY N N 40 105.788 105.788 103.751 2.037 18475 2102 1 7 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.593 -0.143 18475 2103 1 7 . 1 1 40 40 GLY H H 40 7.863 7.863 7.505 0.358 18475 2104 1 7 . 1 1 41 41 ALA N N 41 120.963 120.963 122.316 -1.353 18475 2105 1 7 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.591 -0.410 18475 2106 1 7 . 1 1 41 41 ALA CA C 41 54.089 54.089 52.518 1.571 18475 2107 1 7 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.195 0.226 18475 2108 1 7 . 1 1 41 41 ALA H H 41 7.956 7.956 8.263 -0.307 18475 2109 1 7 . 1 1 42 42 VAL N N 42 116.969 116.969 121.191 -4.222 18475 2110 1 7 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.146 0.060 18475 2111 1 7 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.339 0.319 18475 2112 1 7 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.996 -0.666 18475 2113 1 7 . 1 1 42 42 VAL H H 42 7.848 7.848 7.879 -0.031 18475 2114 1 7 . 1 1 43 43 LEU N N 43 129.206 129.206 127.855 1.351 18475 2115 1 7 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.600 -0.129 18475 2116 1 7 . 1 1 43 43 LEU CA C 43 52.410 52.410 52.705 -0.295 18475 2117 1 7 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.367 0.837 18475 2118 1 7 . 1 1 43 43 LEU H H 43 8.764 8.764 8.256 0.508 18475 2119 1 7 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.476 -0.046 18475 2120 1 7 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.663 -0.236 18475 2121 1 7 . 1 1 44 44 PRO CB C 44 31.857 31.857 31.855 0.002 18475 2122 1 7 . 1 1 45 45 HIS N N 45 126.707 126.707 121.062 5.645 18475 2123 1 7 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.436 -0.418 18475 2124 1 7 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.839 0.908 18475 2125 1 7 . 1 1 45 45 HIS CB C 45 31.007 31.007 29.231 1.776 18475 2126 1 7 . 1 1 45 45 HIS H H 45 8.880 8.880 8.552 0.328 18475 2127 1 7 . 1 1 46 46 GLY N N 46 115.148 115.148 113.098 2.050 18475 2128 1 7 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.703 0.388 18475 2129 1 7 . 1 1 46 46 GLY H H 46 9.143 9.143 8.761 0.382 18475 2130 1 7 . 1 1 47 47 THR N N 47 117.455 117.455 120.843 -3.388 18475 2131 1 7 . 1 1 47 47 THR HA H 47 3.919 3.919 4.470 -0.551 18475 2132 1 7 . 1 1 47 47 THR CA C 47 65.329 65.329 62.537 2.792 18475 2133 1 7 . 1 1 47 47 THR CB C 47 70.171 70.171 68.917 1.254 18475 2134 1 7 . 1 1 47 47 THR H H 47 7.680 7.680 7.724 -0.044 18475 2135 1 7 . 1 1 48 48 ALA N N 48 131.425 131.425 130.825 0.600 18475 2136 1 7 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.749 -0.281 18475 2137 1 7 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.930 0.124 18475 2138 1 7 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.898 -0.362 18475 2139 1 7 . 1 1 48 48 ALA H H 48 8.777 8.777 8.684 0.093 18475 2140 1 7 . 1 1 49 49 VAL N N 49 122.720 122.720 120.455 2.265 18475 2141 1 7 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.224 -0.266 18475 2142 1 7 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.302 0.120 18475 2143 1 7 . 1 1 49 49 VAL CB C 49 34.974 34.974 36.104 -1.130 18475 2144 1 7 . 1 1 49 49 VAL H H 49 8.564 8.564 8.212 0.352 18475 2145 1 7 . 1 1 50 50 GLU N N 50 129.105 129.105 127.441 1.664 18475 2146 1 7 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.173 0.155 18475 2147 1 7 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.706 -0.837 18475 2148 1 7 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.342 -0.565 18475 2149 1 7 . 1 1 50 50 GLU H H 50 9.632 9.632 8.612 1.020 18475 2150 1 7 . 1 1 51 51 LEU N N 51 126.085 126.085 128.127 -2.042 18475 2151 1 7 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.780 0.164 18475 2152 1 7 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.738 -0.754 18475 2153 1 7 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.565 -0.646 18475 2154 1 7 . 1 1 51 51 LEU H H 51 8.474 8.474 8.279 0.195 18475 2155 1 7 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.577 -0.085 18475 2156 1 7 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.738 -0.608 18475 2157 1 7 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.202 0.385 18475 2158 1 7 . 1 1 53 53 ASP N N 53 120.950 120.950 118.096 2.854 18475 2159 1 7 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.403 0.272 18475 2160 1 7 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.566 -0.446 18475 2161 1 7 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.183 0.307 18475 2162 1 7 . 1 1 53 53 ASP H H 53 8.737 8.737 8.636 0.101 18475 2163 1 7 . 1 1 54 54 VAL N N 54 121.459 121.459 118.714 2.745 18475 2164 1 7 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.383 -0.186 18475 2165 1 7 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.317 0.713 18475 2166 1 7 . 1 1 54 54 VAL CB C 54 33.327 33.327 33.617 -0.290 18475 2167 1 7 . 1 1 54 54 VAL H H 54 8.161 8.161 8.036 0.125 18475 2168 1 7 . 1 1 55 55 GLN N N 55 124.703 124.703 123.313 1.390 18475 2169 1 7 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.575 -0.144 18475 2170 1 7 . 1 1 55 55 GLN CA C 55 56.109 56.109 55.014 1.095 18475 2171 1 7 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.207 0.277 18475 2172 1 7 . 1 1 55 55 GLN H H 55 8.623 8.623 8.350 0.273 18475 2173 1 7 . 1 1 56 56 THR HA H 56 4.332 4.332 4.095 0.237 18475 2174 1 7 . 1 1 56 56 THR CA C 56 61.688 61.688 63.424 -1.736 18475 2175 1 7 . 1 1 56 56 THR CB C 56 69.969 69.969 69.023 0.946 18475 2176 1 7 . 1 1 57 57 ALA N N 57 127.534 127.534 124.680 2.854 18475 2177 1 7 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.644 0.010 18475 2178 1 7 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.822 -0.250 18475 2179 1 7 . 1 1 57 57 ALA CB C 57 18.397 18.397 20.141 -1.744 18475 2180 1 7 . 1 1 57 57 ALA H H 57 8.277 8.277 8.101 0.176 18475 2181 1 7 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.590 -0.106 18475 2182 1 7 . 1 1 58 58 PRO CA C 58 62.410 62.410 63.851 -1.441 18475 2183 1 7 . 1 1 58 58 PRO CB C 58 32.030 32.030 30.616 1.414 18475 2184 1 7 . 1 1 59 59 VAL N N 59 120.618 120.618 122.367 -1.749 18475 2185 1 7 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.219 -0.152 18475 2186 1 7 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.266 1.130 18475 2187 1 7 . 1 1 59 59 VAL CB C 59 32.832 32.832 35.943 -3.111 18475 2188 1 7 . 1 1 59 59 VAL H H 59 8.219 8.219 7.913 0.306 18475 2189 1 7 . 1 1 60 60 ALA N N 60 127.858 127.858 129.763 -1.905 18475 2190 1 7 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.494 -0.172 18475 2191 1 7 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.378 0.263 18475 2192 1 7 . 1 1 60 60 ALA CB C 60 19.368 19.368 18.435 0.933 18475 2193 1 7 . 1 1 60 60 ALA H H 60 8.399 8.399 8.570 -0.171 18475 2194 1 7 . 1 1 61 61 GLU N N 61 120.215 120.215 122.126 -1.911 18475 2195 1 7 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.704 -0.399 18475 2196 1 7 . 1 1 61 61 GLU CA C 61 56.778 56.778 55.748 1.030 18475 2197 1 7 . 1 1 61 61 GLU CB C 61 30.357 30.357 31.877 -1.520 18475 2198 1 7 . 1 1 61 61 GLU H H 61 8.405 8.405 8.852 -0.447 18475 2199 1 7 . 1 1 62 62 THR N N 62 115.392 115.392 112.664 2.728 18475 2200 1 7 . 1 1 62 62 THR HA H 62 4.327 4.327 4.941 -0.614 18475 2201 1 7 . 1 1 62 62 THR CA C 62 61.984 61.984 60.891 1.093 18475 2202 1 7 . 1 1 62 62 THR CB C 62 69.856 69.856 70.997 -1.141 18475 2203 1 7 . 1 1 62 62 THR H H 62 8.166 8.166 8.455 -0.289 18475 2204 1 7 . 1 1 63 63 VAL N N 63 122.511 122.511 120.220 2.291 18475 2205 1 7 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.385 -0.338 18475 2206 1 7 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.751 0.521 18475 2207 1 7 . 1 1 63 63 VAL CB C 63 32.853 32.853 34.369 -1.516 18475 2208 1 7 . 1 1 63 63 VAL H H 63 8.099 8.099 8.860 -0.761 18475 2209 1 7 . 1 1 64 64 ASN N N 64 122.642 122.642 124.160 -1.518 18475 2210 1 7 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.774 -0.151 18475 2211 1 7 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.019 -0.118 18475 2212 1 7 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.775 -0.234 18475 2213 1 7 . 1 1 64 64 ASN H H 64 8.471 8.471 8.579 -0.108 18475 2214 1 7 . 1 1 65 65 LEU N N 65 123.365 123.365 119.673 3.692 18475 2215 1 7 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.247 -0.083 18475 2216 1 7 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.791 1.373 18475 2217 1 7 . 1 1 65 65 LEU CB C 65 41.989 41.989 43.990 -2.001 18475 2218 1 7 . 1 1 65 65 LEU H H 65 8.226 8.226 8.428 -0.202 18475 2219 1 7 . 1 1 66 66 TRP N N 66 119.270 119.270 120.784 -1.514 18475 2220 1 7 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.415 0.229 18475 2221 1 7 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.536 0.282 18475 2222 1 7 . 1 1 66 66 TRP CB C 66 29.145 29.145 28.276 0.869 18475 2223 1 7 . 1 1 66 66 TRP H H 66 7.886 7.886 8.162 -0.276 18475 2224 1 7 . 1 1 67 67 GLU N N 67 121.087 121.087 120.471 0.616 18475 2225 1 7 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.606 -0.382 18475 2226 1 7 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.154 0.829 18475 2227 1 7 . 1 1 67 67 GLU CB C 67 30.211 30.211 28.815 1.396 18475 2228 1 7 . 1 1 67 67 GLU H H 67 7.982 7.982 8.411 -0.429 18475 2229 1 7 . 1 1 68 68 VAL N N 68 119.603 119.603 118.336 1.267 18475 2230 1 7 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.500 -0.513 18475 2231 1 7 . 1 1 68 68 VAL CA C 68 62.829 62.829 61.807 1.022 18475 2232 1 7 . 1 1 68 68 VAL CB C 68 32.734 32.734 31.548 1.186 18475 2233 1 7 . 1 1 68 68 VAL H H 68 7.836 7.836 8.066 -0.230 18475 2234 1 7 . 1 1 69 69 GLU N N 69 122.754 122.754 124.098 -1.344 18475 2235 1 7 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.545 -0.362 18475 2236 1 7 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.130 0.756 18475 2237 1 7 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.843 0.393 18475 2238 1 7 . 1 1 69 69 GLU H H 69 8.287 8.287 8.241 0.046 18475 2239 1 7 . 1 1 70 70 HIS N N 70 119.727 119.727 120.109 -0.382 18475 2240 1 7 . 1 1 70 70 HIS H H 70 8.145 8.145 8.443 -0.298 18475 2241 1 8 . 1 1 2 2 LYS N N 2 125.102 125.102 118.981 6.121 18475 2242 1 8 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.158 -0.368 18475 2243 1 8 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.996 0.353 18475 2244 1 8 . 1 1 2 2 LYS CB C 2 34.348 34.348 34.960 -0.612 18475 2245 1 8 . 1 1 2 2 LYS H H 2 8.576 8.576 7.691 0.885 18475 2246 1 8 . 1 1 3 3 THR N N 3 118.344 118.344 115.038 3.306 18475 2247 1 8 . 1 1 3 3 THR HA H 3 4.431 4.431 4.265 0.166 18475 2248 1 8 . 1 1 3 3 THR CA C 3 58.999 58.999 60.458 -1.459 18475 2249 1 8 . 1 1 3 3 THR CB C 3 70.310 70.310 70.141 0.169 18475 2250 1 8 . 1 1 3 3 THR H H 3 8.411 8.411 8.088 0.323 18475 2251 1 8 . 1 1 4 4 PHE N N 4 119.203 119.203 121.718 -2.515 18475 2252 1 8 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.612 0.653 18475 2253 1 8 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.734 -1.135 18475 2254 1 8 . 1 1 4 4 PHE CB C 4 41.521 41.521 38.728 2.792 18475 2255 1 8 . 1 1 4 4 PHE H H 4 7.738 7.738 8.144 -0.406 18475 2256 1 8 . 1 1 5 5 ALA N N 5 125.356 125.356 128.684 -3.328 18475 2257 1 8 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.569 -0.245 18475 2258 1 8 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.849 0.865 18475 2259 1 8 . 1 1 5 5 ALA CB C 5 19.937 19.937 19.280 0.657 18475 2260 1 8 . 1 1 5 5 ALA H H 5 9.071 9.071 9.024 0.047 18475 2261 1 8 . 1 1 6 6 LEU N N 6 126.309 126.309 124.904 1.405 18475 2262 1 8 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.697 -0.189 18475 2263 1 8 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.764 0.633 18475 2264 1 8 . 1 1 6 6 LEU CB C 6 42.307 42.307 45.104 -2.797 18475 2265 1 8 . 1 1 6 6 LEU H H 6 9.657 9.657 8.275 1.382 18475 2266 1 8 . 1 1 7 7 GLN N N 7 119.930 119.930 122.031 -2.101 18475 2267 1 8 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.110 0.067 18475 2268 1 8 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.369 0.141 18475 2269 1 8 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.174 -0.236 18475 2270 1 8 . 1 1 7 7 GLN H H 7 8.647 8.647 8.655 -0.008 18475 2271 1 8 . 1 1 8 8 GLY N N 8 117.081 117.081 113.922 3.159 18475 2272 1 8 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.797 -0.452 18475 2273 1 8 . 1 1 8 8 GLY H H 8 9.812 9.812 8.914 0.898 18475 2274 1 8 . 1 1 9 9 ASP N N 9 121.569 121.569 119.211 2.358 18475 2275 1 8 . 1 1 9 9 ASP HA H 9 4.659 4.659 5.037 -0.378 18475 2276 1 8 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.512 2.127 18475 2277 1 8 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.865 0.262 18475 2278 1 8 . 1 1 9 9 ASP H H 9 8.085 8.085 8.537 -0.452 18475 2279 1 8 . 1 1 10 10 THR N N 10 106.071 106.071 109.463 -3.392 18475 2280 1 8 . 1 1 10 10 THR HA H 10 4.984 4.984 4.366 0.618 18475 2281 1 8 . 1 1 10 10 THR CA C 10 58.309 58.309 60.370 -2.061 18475 2282 1 8 . 1 1 10 10 THR CB C 10 72.680 72.680 70.931 1.749 18475 2283 1 8 . 1 1 10 10 THR H H 10 6.920 6.920 7.512 -0.592 18475 2284 1 8 . 1 1 11 11 LEU N N 11 122.591 122.591 120.677 1.914 18475 2285 1 8 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.993 0.138 18475 2286 1 8 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.442 -0.115 18475 2287 1 8 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.777 -0.355 18475 2288 1 8 . 1 1 11 11 LEU H H 11 9.621 9.621 8.711 0.910 18475 2289 1 8 . 1 1 12 12 ASP N N 12 118.388 118.388 119.168 -0.780 18475 2290 1 8 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.346 -0.205 18475 2291 1 8 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.422 0.387 18475 2292 1 8 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.939 -0.473 18475 2293 1 8 . 1 1 12 12 ASP H H 12 8.561 8.561 7.993 0.568 18475 2294 1 8 . 1 1 13 13 ALA N N 13 121.142 121.142 121.842 -0.700 18475 2295 1 8 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.299 -0.278 18475 2296 1 8 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.275 0.962 18475 2297 1 8 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.553 -1.044 18475 2298 1 8 . 1 1 13 13 ALA H H 13 7.870 7.870 7.677 0.193 18475 2299 1 8 . 1 1 14 14 ILE N N 14 119.983 119.983 119.686 0.297 18475 2300 1 8 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.651 -0.031 18475 2301 1 8 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.689 0.377 18475 2302 1 8 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.889 0.734 18475 2303 1 8 . 1 1 14 14 ILE H H 14 8.043 8.043 8.623 -0.580 18475 2304 1 8 . 1 1 15 15 CYS N N 15 117.727 117.727 116.717 1.010 18475 2305 1 8 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.397 0.080 18475 2306 1 8 . 1 1 15 15 CYS CA C 15 65.421 65.421 65.257 0.164 18475 2307 1 8 . 1 1 15 15 CYS CB C 15 26.368 26.368 27.218 -0.850 18475 2308 1 8 . 1 1 15 15 CYS H H 15 8.477 8.477 8.511 -0.034 18475 2309 1 8 . 1 1 16 16 VAL N N 16 120.808 120.808 119.718 1.090 18475 2310 1 8 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.885 -0.567 18475 2311 1 8 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.932 1.666 18475 2312 1 8 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.874 -0.491 18475 2313 1 8 . 1 1 16 16 VAL H H 16 8.477 8.477 8.005 0.472 18475 2314 1 8 . 1 1 17 17 ARG N N 17 119.589 119.589 120.282 -0.693 18475 2315 1 8 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.134 -0.198 18475 2316 1 8 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.327 1.857 18475 2317 1 8 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.227 0.454 18475 2318 1 8 . 1 1 17 17 ARG H H 17 7.963 7.963 8.302 -0.339 18475 2319 1 8 . 1 1 18 18 TYR N N 18 113.897 113.897 117.431 -3.534 18475 2320 1 8 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.323 0.058 18475 2321 1 8 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.094 1.017 18475 2322 1 8 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.946 0.065 18475 2323 1 8 . 1 1 18 18 TYR H H 18 7.833 7.833 7.919 -0.086 18475 2324 1 8 . 1 1 19 19 TYR N N 19 115.270 115.270 113.698 1.572 18475 2325 1 8 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.556 0.189 18475 2326 1 8 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.519 -0.179 18475 2327 1 8 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.721 0.169 18475 2328 1 8 . 1 1 19 19 TYR H H 19 8.936 8.936 7.753 1.183 18475 2329 1 8 . 1 1 20 20 GLY N N 20 108.099 108.099 105.641 2.458 18475 2330 1 8 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.152 0.648 18475 2331 1 8 . 1 1 20 20 GLY H H 20 7.921 7.921 8.474 -0.553 18475 2332 1 8 . 1 1 21 21 ARG N N 21 115.116 115.116 117.316 -2.200 18475 2333 1 8 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.645 0.088 18475 2334 1 8 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.547 0.173 18475 2335 1 8 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.491 -0.226 18475 2336 1 8 . 1 1 21 21 ARG H H 21 7.495 7.495 7.835 -0.340 18475 2337 1 8 . 1 1 22 22 THR N N 22 106.239 106.239 109.217 -2.978 18475 2338 1 8 . 1 1 22 22 THR HA H 22 4.320 4.320 4.444 -0.124 18475 2339 1 8 . 1 1 22 22 THR CA C 22 62.284 62.284 62.732 -0.448 18475 2340 1 8 . 1 1 22 22 THR CB C 22 69.292 69.292 69.891 -0.599 18475 2341 1 8 . 1 1 22 22 THR H H 22 8.162 8.162 8.357 -0.195 18475 2342 1 8 . 1 1 23 23 GLU N N 23 126.964 126.964 122.632 4.332 18475 2343 1 8 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.134 0.031 18475 2344 1 8 . 1 1 23 23 GLU CA C 23 58.752 58.752 56.893 1.859 18475 2345 1 8 . 1 1 23 23 GLU CB C 23 28.980 28.980 29.206 -0.226 18475 2346 1 8 . 1 1 23 23 GLU H H 23 8.543 8.543 8.151 0.392 18475 2347 1 8 . 1 1 24 24 GLY N N 24 115.618 115.618 113.647 1.971 18475 2348 1 8 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.817 0.198 18475 2349 1 8 . 1 1 24 24 GLY H H 24 9.112 9.112 8.460 0.652 18475 2350 1 8 . 1 1 25 25 VAL N N 25 118.084 118.084 121.163 -3.079 18475 2351 1 8 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.868 0.136 18475 2352 1 8 . 1 1 25 25 VAL CA C 25 63.479 63.479 64.955 -1.476 18475 2353 1 8 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.295 1.588 18475 2354 1 8 . 1 1 25 25 VAL H H 25 7.860 7.860 7.210 0.650 18475 2355 1 8 . 1 1 26 26 VAL N N 26 121.094 121.094 117.457 3.637 18475 2356 1 8 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.743 0.014 18475 2357 1 8 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.416 1.445 18475 2358 1 8 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.993 0.897 18475 2359 1 8 . 1 1 26 26 VAL H H 26 8.101 8.101 7.585 0.516 18475 2360 1 8 . 1 1 27 27 GLU N N 27 119.186 119.186 119.110 0.076 18475 2361 1 8 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.184 -0.202 18475 2362 1 8 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.083 1.577 18475 2363 1 8 . 1 1 27 27 GLU CB C 27 28.456 28.456 28.907 -0.451 18475 2364 1 8 . 1 1 27 27 GLU H H 27 8.910 8.910 8.748 0.162 18475 2365 1 8 . 1 1 28 28 THR N N 28 117.846 117.846 117.715 0.131 18475 2366 1 8 . 1 1 28 28 THR HA H 28 3.980 3.980 4.026 -0.046 18475 2367 1 8 . 1 1 28 28 THR CA C 28 66.119 66.119 66.495 -0.376 18475 2368 1 8 . 1 1 28 28 THR CB C 28 68.459 68.459 68.607 -0.148 18475 2369 1 8 . 1 1 28 28 THR H H 28 7.502 7.502 7.722 -0.220 18475 2370 1 8 . 1 1 29 29 VAL N N 29 123.919 123.919 121.594 2.325 18475 2371 1 8 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.666 -0.239 18475 2372 1 8 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.059 1.339 18475 2373 1 8 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.916 0.649 18475 2374 1 8 . 1 1 29 29 VAL H H 29 8.025 8.025 7.519 0.506 18475 2375 1 8 . 1 1 30 30 LEU N N 30 122.820 122.820 118.801 4.019 18475 2376 1 8 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.927 0.048 18475 2377 1 8 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.748 1.204 18475 2378 1 8 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.436 0.024 18475 2379 1 8 . 1 1 30 30 LEU H H 30 8.971 8.971 7.470 1.501 18475 2380 1 8 . 1 1 31 31 ALA N N 31 120.021 120.021 119.995 0.026 18475 2381 1 8 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.017 0.081 18475 2382 1 8 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.573 -0.002 18475 2383 1 8 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.237 -0.322 18475 2384 1 8 . 1 1 31 31 ALA H H 31 7.652 7.652 7.564 0.088 18475 2385 1 8 . 1 1 32 32 ALA N N 32 117.285 117.285 119.527 -2.242 18475 2386 1 8 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.172 0.222 18475 2387 1 8 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.203 -1.179 18475 2388 1 8 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.825 -0.458 18475 2389 1 8 . 1 1 32 32 ALA H H 32 7.278 7.278 7.607 -0.329 18475 2390 1 8 . 1 1 33 33 ASN N N 33 116.716 116.716 116.532 0.184 18475 2391 1 8 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.113 0.073 18475 2392 1 8 . 1 1 33 33 ASN CA C 33 51.229 51.229 51.020 0.209 18475 2393 1 8 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.363 2.050 18475 2394 1 8 . 1 1 33 33 ASN H H 33 7.536 7.536 8.094 -0.558 18475 2395 1 8 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.537 -0.050 18475 2396 1 8 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.938 0.822 18475 2397 1 8 . 1 1 34 34 PRO CB C 34 31.414 31.414 31.958 -0.544 18475 2398 1 8 . 1 1 35 35 GLY N N 35 110.626 110.626 111.263 -0.637 18475 2399 1 8 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.178 0.462 18475 2400 1 8 . 1 1 35 35 GLY H H 35 8.911 8.911 8.693 0.218 18475 2401 1 8 . 1 1 36 36 LEU N N 36 121.614 121.614 123.099 -1.485 18475 2402 1 8 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.290 -0.043 18475 2403 1 8 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.117 -0.393 18475 2404 1 8 . 1 1 36 36 LEU CB C 36 41.981 41.981 40.998 0.983 18475 2405 1 8 . 1 1 36 36 LEU H H 36 7.974 7.974 7.537 0.437 18475 2406 1 8 . 1 1 37 37 ALA N N 37 120.690 120.690 119.441 1.249 18475 2407 1 8 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.034 0.109 18475 2408 1 8 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.100 0.342 18475 2409 1 8 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.197 0.801 18475 2410 1 8 . 1 1 37 37 ALA H H 37 8.215 8.215 8.593 -0.378 18475 2411 1 8 . 1 1 38 38 GLU N N 38 115.505 115.505 117.821 -2.316 18475 2412 1 8 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.104 0.187 18475 2413 1 8 . 1 1 38 38 GLU CA C 38 56.988 56.988 58.429 -1.442 18475 2414 1 8 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.453 0.387 18475 2415 1 8 . 1 1 38 38 GLU H H 38 7.982 7.982 7.524 0.458 18475 2416 1 8 . 1 1 39 39 LEU N N 39 119.888 119.888 119.351 0.537 18475 2417 1 8 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.014 0.255 18475 2418 1 8 . 1 1 39 39 LEU CA C 39 55.940 55.940 57.016 -1.076 18475 2419 1 8 . 1 1 39 39 LEU CB C 39 42.308 42.308 41.532 0.776 18475 2420 1 8 . 1 1 39 39 LEU H H 39 7.760 7.760 7.517 0.243 18475 2421 1 8 . 1 1 40 40 GLY N N 40 105.788 105.788 105.957 -0.169 18475 2422 1 8 . 1 1 40 40 GLY CA C 40 44.450 44.450 45.237 -0.787 18475 2423 1 8 . 1 1 40 40 GLY H H 40 7.863 7.863 8.034 -0.171 18475 2424 1 8 . 1 1 41 41 ALA N N 41 120.963 120.963 125.124 -4.161 18475 2425 1 8 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.269 -0.088 18475 2426 1 8 . 1 1 41 41 ALA CA C 41 54.089 54.089 52.093 1.996 18475 2427 1 8 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.458 -0.037 18475 2428 1 8 . 1 1 41 41 ALA H H 41 7.956 7.956 8.018 -0.062 18475 2429 1 8 . 1 1 42 42 VAL N N 42 116.969 116.969 119.672 -2.703 18475 2430 1 8 . 1 1 42 42 VAL HA H 42 4.206 4.206 3.888 0.318 18475 2431 1 8 . 1 1 42 42 VAL CA C 42 61.658 61.658 63.546 -1.888 18475 2432 1 8 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.005 0.325 18475 2433 1 8 . 1 1 42 42 VAL H H 42 7.848 7.848 8.089 -0.241 18475 2434 1 8 . 1 1 43 43 LEU N N 43 129.206 129.206 127.943 1.263 18475 2435 1 8 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.467 0.004 18475 2436 1 8 . 1 1 43 43 LEU CA C 43 52.410 52.410 53.189 -0.779 18475 2437 1 8 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.346 0.858 18475 2438 1 8 . 1 1 43 43 LEU H H 43 8.764 8.764 8.288 0.476 18475 2439 1 8 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.458 -0.028 18475 2440 1 8 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.650 -0.224 18475 2441 1 8 . 1 1 44 44 PRO CB C 44 31.857 31.857 31.936 -0.079 18475 2442 1 8 . 1 1 45 45 HIS N N 45 126.707 126.707 120.991 5.716 18475 2443 1 8 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.561 -0.544 18475 2444 1 8 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.647 1.100 18475 2445 1 8 . 1 1 45 45 HIS CB C 45 31.007 31.007 28.477 2.530 18475 2446 1 8 . 1 1 45 45 HIS H H 45 8.880 8.880 8.638 0.242 18475 2447 1 8 . 1 1 46 46 GLY N N 46 115.148 115.148 112.854 2.294 18475 2448 1 8 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.943 0.148 18475 2449 1 8 . 1 1 46 46 GLY H H 46 9.143 9.143 8.549 0.594 18475 2450 1 8 . 1 1 47 47 THR N N 47 117.455 117.455 120.736 -3.281 18475 2451 1 8 . 1 1 47 47 THR HA H 47 3.919 3.919 4.479 -0.560 18475 2452 1 8 . 1 1 47 47 THR CA C 47 65.329 65.329 63.337 1.992 18475 2453 1 8 . 1 1 47 47 THR CB C 47 70.171 70.171 69.333 0.838 18475 2454 1 8 . 1 1 47 47 THR H H 47 7.680 7.680 7.956 -0.276 18475 2455 1 8 . 1 1 48 48 ALA N N 48 131.425 131.425 131.569 -0.144 18475 2456 1 8 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.664 -0.196 18475 2457 1 8 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.582 0.472 18475 2458 1 8 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.865 -0.329 18475 2459 1 8 . 1 1 48 48 ALA H H 48 8.777 8.777 8.773 0.004 18475 2460 1 8 . 1 1 49 49 VAL N N 49 122.720 122.720 121.930 0.790 18475 2461 1 8 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.285 -0.327 18475 2462 1 8 . 1 1 49 49 VAL CA C 49 61.422 61.422 60.547 0.875 18475 2463 1 8 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.823 -0.849 18475 2464 1 8 . 1 1 49 49 VAL H H 49 8.564 8.564 8.300 0.264 18475 2465 1 8 . 1 1 50 50 GLU N N 50 129.105 129.105 126.707 2.398 18475 2466 1 8 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.249 0.079 18475 2467 1 8 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.082 -0.213 18475 2468 1 8 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.299 -0.522 18475 2469 1 8 . 1 1 50 50 GLU H H 50 9.632 9.632 8.502 1.130 18475 2470 1 8 . 1 1 51 51 LEU N N 51 126.085 126.085 127.680 -1.595 18475 2471 1 8 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.705 0.239 18475 2472 1 8 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.709 -0.725 18475 2473 1 8 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.637 -0.718 18475 2474 1 8 . 1 1 51 51 LEU H H 51 8.474 8.474 7.957 0.517 18475 2475 1 8 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.447 0.045 18475 2476 1 8 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.739 -0.609 18475 2477 1 8 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.266 0.321 18475 2478 1 8 . 1 1 53 53 ASP N N 53 120.950 120.950 116.573 4.377 18475 2479 1 8 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.400 0.275 18475 2480 1 8 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.307 -0.187 18475 2481 1 8 . 1 1 53 53 ASP CB C 53 40.490 40.490 39.715 0.775 18475 2482 1 8 . 1 1 53 53 ASP H H 53 8.737 8.737 8.649 0.088 18475 2483 1 8 . 1 1 54 54 VAL N N 54 121.459 121.459 118.230 3.229 18475 2484 1 8 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.301 -0.104 18475 2485 1 8 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.367 0.663 18475 2486 1 8 . 1 1 54 54 VAL CB C 54 33.327 33.327 33.843 -0.516 18475 2487 1 8 . 1 1 54 54 VAL H H 54 8.161 8.161 8.040 0.121 18475 2488 1 8 . 1 1 55 55 GLN N N 55 124.703 124.703 123.861 0.842 18475 2489 1 8 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.515 -0.084 18475 2490 1 8 . 1 1 55 55 GLN CA C 55 56.109 56.109 56.426 -0.317 18475 2491 1 8 . 1 1 55 55 GLN CB C 55 29.484 29.484 30.241 -0.757 18475 2492 1 8 . 1 1 55 55 GLN H H 55 8.623 8.623 8.672 -0.049 18475 2493 1 8 . 1 1 56 56 THR HA H 56 4.332 4.332 4.204 0.128 18475 2494 1 8 . 1 1 56 56 THR CA C 56 61.688 61.688 62.495 -0.807 18475 2495 1 8 . 1 1 56 56 THR CB C 56 69.969 69.969 68.505 1.464 18475 2496 1 8 . 1 1 57 57 ALA N N 57 127.534 127.534 130.136 -2.602 18475 2497 1 8 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.795 -0.142 18475 2498 1 8 . 1 1 57 57 ALA CA C 57 50.572 50.572 49.882 0.690 18475 2499 1 8 . 1 1 57 57 ALA CB C 57 18.397 18.397 19.564 -1.167 18475 2500 1 8 . 1 1 57 57 ALA H H 57 8.277 8.277 8.167 0.110 18475 2501 1 8 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.556 -0.072 18475 2502 1 8 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.520 -0.110 18475 2503 1 8 . 1 1 58 58 PRO CB C 58 32.030 32.030 31.970 0.060 18475 2504 1 8 . 1 1 59 59 VAL N N 59 120.618 120.618 115.118 5.500 18475 2505 1 8 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.252 -0.185 18475 2506 1 8 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.746 0.650 18475 2507 1 8 . 1 1 59 59 VAL CB C 59 32.832 32.832 32.159 0.673 18475 2508 1 8 . 1 1 59 59 VAL H H 59 8.219 8.219 7.934 0.285 18475 2509 1 8 . 1 1 60 60 ALA N N 60 127.858 127.858 124.490 3.368 18475 2510 1 8 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.208 0.114 18475 2511 1 8 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.545 0.096 18475 2512 1 8 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.160 0.208 18475 2513 1 8 . 1 1 60 60 ALA H H 60 8.399 8.399 8.295 0.104 18475 2514 1 8 . 1 1 61 61 GLU N N 61 120.215 120.215 119.463 0.752 18475 2515 1 8 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.501 -0.196 18475 2516 1 8 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.181 0.597 18475 2517 1 8 . 1 1 61 61 GLU CB C 61 30.357 30.357 31.522 -1.165 18475 2518 1 8 . 1 1 61 61 GLU H H 61 8.405 8.405 9.060 -0.655 18475 2519 1 8 . 1 1 62 62 THR N N 62 115.392 115.392 119.655 -4.263 18475 2520 1 8 . 1 1 62 62 THR HA H 62 4.327 4.327 4.545 -0.218 18475 2521 1 8 . 1 1 62 62 THR CA C 62 61.984 61.984 61.986 -0.001 18475 2522 1 8 . 1 1 62 62 THR CB C 62 69.856 69.856 69.801 0.055 18475 2523 1 8 . 1 1 62 62 THR H H 62 8.166 8.166 8.383 -0.217 18475 2524 1 8 . 1 1 63 63 VAL N N 63 122.511 122.511 124.656 -2.145 18475 2525 1 8 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.152 -0.105 18475 2526 1 8 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.144 0.128 18475 2527 1 8 . 1 1 63 63 VAL CB C 63 32.853 32.853 34.145 -1.292 18475 2528 1 8 . 1 1 63 63 VAL H H 63 8.099 8.099 8.301 -0.202 18475 2529 1 8 . 1 1 64 64 ASN N N 64 122.642 122.642 124.502 -1.860 18475 2530 1 8 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.628 -0.005 18475 2531 1 8 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.519 -0.618 18475 2532 1 8 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.950 -0.409 18475 2533 1 8 . 1 1 64 64 ASN H H 64 8.471 8.471 8.490 -0.019 18475 2534 1 8 . 1 1 65 65 LEU N N 65 123.365 123.365 122.732 0.633 18475 2535 1 8 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.238 -0.074 18475 2536 1 8 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.813 1.351 18475 2537 1 8 . 1 1 65 65 LEU CB C 65 41.989 41.989 40.314 1.675 18475 2538 1 8 . 1 1 65 65 LEU H H 65 8.226 8.226 8.343 -0.117 18475 2539 1 8 . 1 1 66 66 TRP N N 66 119.270 119.270 122.360 -3.090 18475 2540 1 8 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.362 0.282 18475 2541 1 8 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.701 0.117 18475 2542 1 8 . 1 1 66 66 TRP CB C 66 29.145 29.145 28.052 1.093 18475 2543 1 8 . 1 1 66 66 TRP H H 66 7.886 7.886 8.210 -0.324 18475 2544 1 8 . 1 1 67 67 GLU N N 67 121.087 121.087 119.269 1.818 18475 2545 1 8 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.629 -0.405 18475 2546 1 8 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.304 0.679 18475 2547 1 8 . 1 1 67 67 GLU CB C 67 30.211 30.211 29.768 0.443 18475 2548 1 8 . 1 1 67 67 GLU H H 67 7.982 7.982 8.291 -0.309 18475 2549 1 8 . 1 1 68 68 VAL N N 68 119.603 119.603 119.222 0.381 18475 2550 1 8 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.167 -0.180 18475 2551 1 8 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.802 0.027 18475 2552 1 8 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.384 0.350 18475 2553 1 8 . 1 1 68 68 VAL H H 68 7.836 7.836 7.773 0.063 18475 2554 1 8 . 1 1 69 69 GLU N N 69 122.754 122.754 120.423 2.331 18475 2555 1 8 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.241 -0.058 18475 2556 1 8 . 1 1 69 69 GLU CA C 69 56.886 56.886 57.215 -0.329 18475 2557 1 8 . 1 1 69 69 GLU CB C 69 30.236 30.236 28.145 2.091 18475 2558 1 8 . 1 1 69 69 GLU H H 69 8.287 8.287 8.579 -0.292 18475 2559 1 8 . 1 1 70 70 HIS N N 70 119.727 119.727 124.274 -4.547 18475 2560 1 8 . 1 1 70 70 HIS H H 70 8.145 8.145 8.432 -0.287 18475 2561 1 9 . 1 1 2 2 LYS N N 2 125.102 125.102 121.966 3.136 18475 2562 1 9 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.328 -0.538 18475 2563 1 9 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.581 0.768 18475 2564 1 9 . 1 1 2 2 LYS CB C 2 34.348 34.348 35.417 -1.069 18475 2565 1 9 . 1 1 2 2 LYS H H 2 8.576 8.576 7.917 0.659 18475 2566 1 9 . 1 1 3 3 THR N N 3 118.344 118.344 114.935 3.409 18475 2567 1 9 . 1 1 3 3 THR HA H 3 4.431 4.431 4.262 0.169 18475 2568 1 9 . 1 1 3 3 THR CA C 3 58.999 58.999 59.881 -0.882 18475 2569 1 9 . 1 1 3 3 THR CB C 3 70.310 70.310 70.324 -0.014 18475 2570 1 9 . 1 1 3 3 THR H H 3 8.411 8.411 8.076 0.335 18475 2571 1 9 . 1 1 4 4 PHE N N 4 119.203 119.203 120.836 -1.633 18475 2572 1 9 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.563 0.702 18475 2573 1 9 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.294 -0.695 18475 2574 1 9 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.151 2.370 18475 2575 1 9 . 1 1 4 4 PHE H H 4 7.738 7.738 8.037 -0.299 18475 2576 1 9 . 1 1 5 5 ALA N N 5 125.356 125.356 127.670 -2.314 18475 2577 1 9 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.730 -0.406 18475 2578 1 9 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.235 1.479 18475 2579 1 9 . 1 1 5 5 ALA CB C 5 19.937 19.937 19.428 0.509 18475 2580 1 9 . 1 1 5 5 ALA H H 5 9.071 9.071 8.994 0.077 18475 2581 1 9 . 1 1 6 6 LEU N N 6 126.309 126.309 124.951 1.358 18475 2582 1 9 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.725 -0.217 18475 2583 1 9 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.456 0.941 18475 2584 1 9 . 1 1 6 6 LEU CB C 6 42.307 42.307 44.015 -1.708 18475 2585 1 9 . 1 1 6 6 LEU H H 6 9.657 9.657 8.232 1.425 18475 2586 1 9 . 1 1 7 7 GLN N N 7 119.930 119.930 120.536 -0.606 18475 2587 1 9 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.006 0.171 18475 2588 1 9 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.993 -0.483 18475 2589 1 9 . 1 1 7 7 GLN CB C 7 27.938 27.938 29.010 -1.072 18475 2590 1 9 . 1 1 7 7 GLN H H 7 8.647 8.647 8.758 -0.111 18475 2591 1 9 . 1 1 8 8 GLY N N 8 117.081 117.081 114.591 2.490 18475 2592 1 9 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.635 -0.290 18475 2593 1 9 . 1 1 8 8 GLY H H 8 9.812 9.812 8.901 0.911 18475 2594 1 9 . 1 1 9 9 ASP N N 9 121.569 121.569 118.337 3.232 18475 2595 1 9 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.897 -0.238 18475 2596 1 9 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.303 2.336 18475 2597 1 9 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.575 0.552 18475 2598 1 9 . 1 1 9 9 ASP H H 9 8.085 8.085 8.448 -0.363 18475 2599 1 9 . 1 1 10 10 THR N N 10 106.071 106.071 112.469 -6.398 18475 2600 1 9 . 1 1 10 10 THR HA H 10 4.984 4.984 4.319 0.665 18475 2601 1 9 . 1 1 10 10 THR CA C 10 58.309 58.309 61.009 -2.700 18475 2602 1 9 . 1 1 10 10 THR CB C 10 72.680 72.680 70.034 2.646 18475 2603 1 9 . 1 1 10 10 THR H H 10 6.920 6.920 7.381 -0.461 18475 2604 1 9 . 1 1 11 11 LEU N N 11 122.591 122.591 119.781 2.810 18475 2605 1 9 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.924 0.207 18475 2606 1 9 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.811 -0.484 18475 2607 1 9 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.347 0.075 18475 2608 1 9 . 1 1 11 11 LEU H H 11 9.621 9.621 8.483 1.138 18475 2609 1 9 . 1 1 12 12 ASP N N 12 118.388 118.388 119.046 -0.658 18475 2610 1 9 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.367 -0.226 18475 2611 1 9 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.214 0.595 18475 2612 1 9 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.210 0.256 18475 2613 1 9 . 1 1 12 12 ASP H H 12 8.561 8.561 8.015 0.546 18475 2614 1 9 . 1 1 13 13 ALA N N 13 121.142 121.142 121.060 0.082 18475 2615 1 9 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.327 -0.306 18475 2616 1 9 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.352 0.885 18475 2617 1 9 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.443 -0.934 18475 2618 1 9 . 1 1 13 13 ALA H H 13 7.870 7.870 7.627 0.243 18475 2619 1 9 . 1 1 14 14 ILE N N 14 119.983 119.983 119.537 0.446 18475 2620 1 9 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.635 -0.015 18475 2621 1 9 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.570 0.496 18475 2622 1 9 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.823 0.800 18475 2623 1 9 . 1 1 14 14 ILE H H 14 8.043 8.043 8.678 -0.635 18475 2624 1 9 . 1 1 15 15 CYS N N 15 117.727 117.727 116.329 1.398 18475 2625 1 9 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.333 0.144 18475 2626 1 9 . 1 1 15 15 CYS CA C 15 65.421 65.421 63.666 1.754 18475 2627 1 9 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.303 0.065 18475 2628 1 9 . 1 1 15 15 CYS H H 15 8.477 8.477 8.651 -0.174 18475 2629 1 9 . 1 1 16 16 VAL N N 16 120.808 120.808 119.709 1.099 18475 2630 1 9 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.888 -0.570 18475 2631 1 9 . 1 1 16 16 VAL CA C 16 67.598 67.598 66.005 1.593 18475 2632 1 9 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.908 -0.525 18475 2633 1 9 . 1 1 16 16 VAL H H 16 8.477 8.477 7.998 0.479 18475 2634 1 9 . 1 1 17 17 ARG N N 17 119.589 119.589 119.010 0.579 18475 2635 1 9 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.103 -0.167 18475 2636 1 9 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.310 1.874 18475 2637 1 9 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.085 0.596 18475 2638 1 9 . 1 1 17 17 ARG H H 17 7.963 7.963 8.242 -0.279 18475 2639 1 9 . 1 1 18 18 TYR N N 18 113.897 113.897 117.182 -3.285 18475 2640 1 9 . 1 1 18 18 TYR HA H 18 4.381 4.381 3.932 0.449 18475 2641 1 9 . 1 1 18 18 TYR CA C 18 61.111 61.111 59.706 1.405 18475 2642 1 9 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.839 0.172 18475 2643 1 9 . 1 1 18 18 TYR H H 18 7.833 7.833 7.977 -0.144 18475 2644 1 9 . 1 1 19 19 TYR N N 19 115.270 115.270 115.134 0.136 18475 2645 1 9 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.765 -0.020 18475 2646 1 9 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.434 -0.094 18475 2647 1 9 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.504 0.386 18475 2648 1 9 . 1 1 19 19 TYR H H 19 8.936 8.936 7.519 1.417 18475 2649 1 9 . 1 1 20 20 GLY N N 20 108.099 108.099 106.425 1.674 18475 2650 1 9 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.193 0.607 18475 2651 1 9 . 1 1 20 20 GLY H H 20 7.921 7.921 8.526 -0.605 18475 2652 1 9 . 1 1 21 21 ARG N N 21 115.116 115.116 117.771 -2.655 18475 2653 1 9 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.755 -0.022 18475 2654 1 9 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.284 0.436 18475 2655 1 9 . 1 1 21 21 ARG CB C 21 31.265 31.265 32.459 -1.194 18475 2656 1 9 . 1 1 21 21 ARG H H 21 7.495 7.495 7.485 0.010 18475 2657 1 9 . 1 1 22 22 THR N N 22 106.239 106.239 109.252 -3.013 18475 2658 1 9 . 1 1 22 22 THR HA H 22 4.320 4.320 4.431 -0.111 18475 2659 1 9 . 1 1 22 22 THR CA C 22 62.284 62.284 62.101 0.183 18475 2660 1 9 . 1 1 22 22 THR CB C 22 69.292 69.292 70.355 -1.063 18475 2661 1 9 . 1 1 22 22 THR H H 22 8.162 8.162 8.217 -0.055 18475 2662 1 9 . 1 1 23 23 GLU N N 23 126.964 126.964 123.139 3.825 18475 2663 1 9 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.093 0.072 18475 2664 1 9 . 1 1 23 23 GLU CA C 23 58.752 58.752 56.724 2.028 18475 2665 1 9 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.330 0.650 18475 2666 1 9 . 1 1 23 23 GLU H H 23 8.543 8.543 8.388 0.155 18475 2667 1 9 . 1 1 24 24 GLY N N 24 115.618 115.618 112.501 3.117 18475 2668 1 9 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.465 0.550 18475 2669 1 9 . 1 1 24 24 GLY H H 24 9.112 9.112 8.571 0.541 18475 2670 1 9 . 1 1 25 25 VAL N N 25 118.084 118.084 122.832 -4.748 18475 2671 1 9 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.714 0.290 18475 2672 1 9 . 1 1 25 25 VAL CA C 25 63.479 63.479 63.631 -0.152 18475 2673 1 9 . 1 1 25 25 VAL CB C 25 33.883 33.883 31.510 2.373 18475 2674 1 9 . 1 1 25 25 VAL H H 25 7.860 7.860 7.714 0.146 18475 2675 1 9 . 1 1 26 26 VAL N N 26 121.094 121.094 116.355 4.739 18475 2676 1 9 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.718 0.039 18475 2677 1 9 . 1 1 26 26 VAL CA C 26 66.861 66.861 66.008 0.853 18475 2678 1 9 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.684 1.206 18475 2679 1 9 . 1 1 26 26 VAL H H 26 8.101 8.101 7.511 0.590 18475 2680 1 9 . 1 1 27 27 GLU N N 27 119.186 119.186 120.069 -0.883 18475 2681 1 9 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.079 -0.097 18475 2682 1 9 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.255 1.405 18475 2683 1 9 . 1 1 27 27 GLU CB C 27 28.456 28.456 28.698 -0.242 18475 2684 1 9 . 1 1 27 27 GLU H H 27 8.910 8.910 8.732 0.178 18475 2685 1 9 . 1 1 28 28 THR N N 28 117.846 117.846 117.382 0.464 18475 2686 1 9 . 1 1 28 28 THR HA H 28 3.980 3.980 3.943 0.037 18475 2687 1 9 . 1 1 28 28 THR CA C 28 66.119 66.119 66.726 -0.607 18475 2688 1 9 . 1 1 28 28 THR CB C 28 68.459 68.459 68.420 0.039 18475 2689 1 9 . 1 1 28 28 THR H H 28 7.502 7.502 7.747 -0.245 18475 2690 1 9 . 1 1 29 29 VAL N N 29 123.919 123.919 121.266 2.653 18475 2691 1 9 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.469 -0.042 18475 2692 1 9 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.623 0.777 18475 2693 1 9 . 1 1 29 29 VAL CB C 29 31.565 31.565 31.421 0.144 18475 2694 1 9 . 1 1 29 29 VAL H H 29 8.025 8.025 7.268 0.757 18475 2695 1 9 . 1 1 30 30 LEU N N 30 122.820 122.820 119.741 3.079 18475 2696 1 9 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.958 0.017 18475 2697 1 9 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.612 1.339 18475 2698 1 9 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.469 -0.009 18475 2699 1 9 . 1 1 30 30 LEU H H 30 8.971 8.971 7.549 1.422 18475 2700 1 9 . 1 1 31 31 ALA N N 31 120.021 120.021 121.282 -1.261 18475 2701 1 9 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.068 0.030 18475 2702 1 9 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.675 -0.104 18475 2703 1 9 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.393 -0.478 18475 2704 1 9 . 1 1 31 31 ALA H H 31 7.652 7.652 7.813 -0.161 18475 2705 1 9 . 1 1 32 32 ALA N N 32 117.285 117.285 119.364 -2.079 18475 2706 1 9 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.226 0.168 18475 2707 1 9 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.377 -1.353 18475 2708 1 9 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.538 -0.171 18475 2709 1 9 . 1 1 32 32 ALA H H 32 7.278 7.278 7.624 -0.346 18475 2710 1 9 . 1 1 33 33 ASN N N 33 116.716 116.716 116.236 0.480 18475 2711 1 9 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.100 0.086 18475 2712 1 9 . 1 1 33 33 ASN CA C 33 51.229 51.229 51.218 0.011 18475 2713 1 9 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.445 1.968 18475 2714 1 9 . 1 1 33 33 ASN H H 33 7.536 7.536 8.151 -0.615 18475 2715 1 9 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.495 -0.008 18475 2716 1 9 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.766 0.994 18475 2717 1 9 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.215 -0.801 18475 2718 1 9 . 1 1 35 35 GLY N N 35 110.626 110.626 110.037 0.589 18475 2719 1 9 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.171 0.469 18475 2720 1 9 . 1 1 35 35 GLY H H 35 8.911 8.911 8.628 0.283 18475 2721 1 9 . 1 1 36 36 LEU N N 36 121.614 121.614 121.805 -0.191 18475 2722 1 9 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.360 -0.113 18475 2723 1 9 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.835 -0.111 18475 2724 1 9 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.456 0.525 18475 2725 1 9 . 1 1 36 36 LEU H H 36 7.974 7.974 7.644 0.330 18475 2726 1 9 . 1 1 37 37 ALA N N 37 120.690 120.690 121.588 -0.898 18475 2727 1 9 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.082 0.061 18475 2728 1 9 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.345 0.097 18475 2729 1 9 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.429 0.569 18475 2730 1 9 . 1 1 37 37 ALA H H 37 8.215 8.215 8.553 -0.338 18475 2731 1 9 . 1 1 38 38 GLU N N 38 115.505 115.505 117.140 -1.635 18475 2732 1 9 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.083 0.208 18475 2733 1 9 . 1 1 38 38 GLU CA C 38 56.988 56.988 58.224 -1.236 18475 2734 1 9 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.283 0.556 18475 2735 1 9 . 1 1 38 38 GLU H H 38 7.982 7.982 8.014 -0.032 18475 2736 1 9 . 1 1 39 39 LEU N N 39 119.888 119.888 119.035 0.853 18475 2737 1 9 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.068 0.201 18475 2738 1 9 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.758 -0.818 18475 2739 1 9 . 1 1 39 39 LEU CB C 39 42.308 42.308 41.984 0.324 18475 2740 1 9 . 1 1 39 39 LEU H H 39 7.760 7.760 7.461 0.299 18475 2741 1 9 . 1 1 40 40 GLY N N 40 105.788 105.788 104.703 1.085 18475 2742 1 9 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.413 0.037 18475 2743 1 9 . 1 1 40 40 GLY H H 40 7.863 7.863 7.380 0.483 18475 2744 1 9 . 1 1 41 41 ALA N N 41 120.963 120.963 122.521 -1.558 18475 2745 1 9 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.341 -0.160 18475 2746 1 9 . 1 1 41 41 ALA CA C 41 54.089 54.089 53.385 0.704 18475 2747 1 9 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.293 0.128 18475 2748 1 9 . 1 1 41 41 ALA H H 41 7.956 7.956 8.130 -0.174 18475 2749 1 9 . 1 1 42 42 VAL N N 42 116.969 116.969 119.151 -2.182 18475 2750 1 9 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.156 0.050 18475 2751 1 9 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.440 0.218 18475 2752 1 9 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.176 0.154 18475 2753 1 9 . 1 1 42 42 VAL H H 42 7.848 7.848 7.742 0.106 18475 2754 1 9 . 1 1 43 43 LEU N N 43 129.206 129.206 128.535 0.671 18475 2755 1 9 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.505 -0.034 18475 2756 1 9 . 1 1 43 43 LEU CA C 43 52.410 52.410 52.911 -0.501 18475 2757 1 9 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.398 0.806 18475 2758 1 9 . 1 1 43 43 LEU H H 43 8.764 8.764 8.310 0.454 18475 2759 1 9 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.451 -0.021 18475 2760 1 9 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.605 -0.179 18475 2761 1 9 . 1 1 44 44 PRO CB C 44 31.857 31.857 31.823 0.034 18475 2762 1 9 . 1 1 45 45 HIS N N 45 126.707 126.707 120.640 6.067 18475 2763 1 9 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.412 -0.395 18475 2764 1 9 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.751 0.996 18475 2765 1 9 . 1 1 45 45 HIS CB C 45 31.007 31.007 28.903 2.104 18475 2766 1 9 . 1 1 45 45 HIS H H 45 8.880 8.880 8.551 0.329 18475 2767 1 9 . 1 1 46 46 GLY N N 46 115.148 115.148 113.573 1.575 18475 2768 1 9 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.691 0.400 18475 2769 1 9 . 1 1 46 46 GLY H H 46 9.143 9.143 8.727 0.416 18475 2770 1 9 . 1 1 47 47 THR N N 47 117.455 117.455 120.729 -3.274 18475 2771 1 9 . 1 1 47 47 THR HA H 47 3.919 3.919 4.386 -0.467 18475 2772 1 9 . 1 1 47 47 THR CA C 47 65.329 65.329 62.230 3.099 18475 2773 1 9 . 1 1 47 47 THR CB C 47 70.171 70.171 69.159 1.012 18475 2774 1 9 . 1 1 47 47 THR H H 47 7.680 7.680 7.753 -0.073 18475 2775 1 9 . 1 1 48 48 ALA N N 48 131.425 131.425 131.587 -0.162 18475 2776 1 9 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.641 -0.173 18475 2777 1 9 . 1 1 48 48 ALA CA C 48 52.054 52.054 52.045 0.009 18475 2778 1 9 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.891 -0.355 18475 2779 1 9 . 1 1 48 48 ALA H H 48 8.777 8.777 8.746 0.031 18475 2780 1 9 . 1 1 49 49 VAL N N 49 122.720 122.720 121.271 1.449 18475 2781 1 9 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.211 -0.253 18475 2782 1 9 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.355 0.067 18475 2783 1 9 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.771 -0.797 18475 2784 1 9 . 1 1 49 49 VAL H H 49 8.564 8.564 8.241 0.323 18475 2785 1 9 . 1 1 50 50 GLU N N 50 129.105 129.105 127.426 1.679 18475 2786 1 9 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.231 0.097 18475 2787 1 9 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.435 -0.566 18475 2788 1 9 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.250 -0.473 18475 2789 1 9 . 1 1 50 50 GLU H H 50 9.632 9.632 8.463 1.169 18475 2790 1 9 . 1 1 51 51 LEU N N 51 126.085 126.085 127.551 -1.466 18475 2791 1 9 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.711 0.233 18475 2792 1 9 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.752 -0.768 18475 2793 1 9 . 1 1 51 51 LEU CB C 51 40.919 40.919 42.001 -1.082 18475 2794 1 9 . 1 1 51 51 LEU H H 51 8.474 8.474 7.891 0.583 18475 2795 1 9 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.460 0.032 18475 2796 1 9 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.848 -0.718 18475 2797 1 9 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.232 0.355 18475 2798 1 9 . 1 1 53 53 ASP N N 53 120.950 120.950 116.745 4.205 18475 2799 1 9 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.319 0.356 18475 2800 1 9 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.240 -0.120 18475 2801 1 9 . 1 1 53 53 ASP CB C 53 40.490 40.490 39.833 0.657 18475 2802 1 9 . 1 1 53 53 ASP H H 53 8.737 8.737 8.685 0.052 18475 2803 1 9 . 1 1 54 54 VAL N N 54 121.459 121.459 117.039 4.420 18475 2804 1 9 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.377 -0.180 18475 2805 1 9 . 1 1 54 54 VAL CA C 54 62.030 62.030 60.563 1.467 18475 2806 1 9 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.953 -1.626 18475 2807 1 9 . 1 1 54 54 VAL H H 54 8.161 8.161 7.966 0.195 18475 2808 1 9 . 1 1 55 55 GLN N N 55 124.703 124.703 124.347 0.356 18475 2809 1 9 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.498 -0.067 18475 2810 1 9 . 1 1 55 55 GLN CA C 55 56.109 56.109 56.207 -0.098 18475 2811 1 9 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.827 -0.343 18475 2812 1 9 . 1 1 55 55 GLN H H 55 8.623 8.623 8.598 0.025 18475 2813 1 9 . 1 1 56 56 THR HA H 56 4.332 4.332 3.946 0.386 18475 2814 1 9 . 1 1 56 56 THR CA C 56 61.688 61.688 62.415 -0.727 18475 2815 1 9 . 1 1 56 56 THR CB C 56 69.969 69.969 67.472 2.497 18475 2816 1 9 . 1 1 57 57 ALA N N 57 127.534 127.534 120.945 6.589 18475 2817 1 9 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.626 0.027 18475 2818 1 9 . 1 1 57 57 ALA CA C 57 50.572 50.572 51.080 -0.508 18475 2819 1 9 . 1 1 57 57 ALA CB C 57 18.397 18.397 20.791 -2.394 18475 2820 1 9 . 1 1 57 57 ALA H H 57 8.277 8.277 7.546 0.731 18475 2821 1 9 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.552 -0.068 18475 2822 1 9 . 1 1 58 58 PRO CA C 58 62.410 62.410 63.322 -0.912 18475 2823 1 9 . 1 1 58 58 PRO CB C 58 32.030 32.030 30.394 1.636 18475 2824 1 9 . 1 1 59 59 VAL N N 59 120.618 120.618 122.434 -1.816 18475 2825 1 9 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.243 -0.176 18475 2826 1 9 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.025 1.371 18475 2827 1 9 . 1 1 59 59 VAL CB C 59 32.832 32.832 34.579 -1.747 18475 2828 1 9 . 1 1 59 59 VAL H H 59 8.219 8.219 7.946 0.273 18475 2829 1 9 . 1 1 60 60 ALA N N 60 127.858 127.858 126.728 1.130 18475 2830 1 9 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.251 0.071 18475 2831 1 9 . 1 1 60 60 ALA CA C 60 52.641 52.641 51.779 0.862 18475 2832 1 9 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.437 -0.069 18475 2833 1 9 . 1 1 60 60 ALA H H 60 8.399 8.399 8.131 0.268 18475 2834 1 9 . 1 1 61 61 GLU N N 61 120.215 120.215 118.452 1.763 18475 2835 1 9 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.119 0.186 18475 2836 1 9 . 1 1 61 61 GLU CA C 61 56.778 56.778 57.568 -0.790 18475 2837 1 9 . 1 1 61 61 GLU CB C 61 30.357 30.357 29.672 0.685 18475 2838 1 9 . 1 1 61 61 GLU H H 61 8.405 8.405 8.571 -0.166 18475 2839 1 9 . 1 1 62 62 THR N N 62 115.392 115.392 116.751 -1.359 18475 2840 1 9 . 1 1 62 62 THR HA H 62 4.327 4.327 4.593 -0.266 18475 2841 1 9 . 1 1 62 62 THR CA C 62 61.984 61.984 61.602 0.382 18475 2842 1 9 . 1 1 62 62 THR CB C 62 69.856 69.856 71.206 -1.350 18475 2843 1 9 . 1 1 62 62 THR H H 62 8.166 8.166 8.166 -0.000 18475 2844 1 9 . 1 1 63 63 VAL N N 63 122.511 122.511 122.324 0.187 18475 2845 1 9 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.518 -0.471 18475 2846 1 9 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.803 0.469 18475 2847 1 9 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.434 -0.581 18475 2848 1 9 . 1 1 63 63 VAL H H 63 8.099 8.099 8.281 -0.182 18475 2849 1 9 . 1 1 64 64 ASN N N 64 122.642 122.642 123.216 -0.574 18475 2850 1 9 . 1 1 64 64 ASN HA H 64 4.623 4.623 5.076 -0.453 18475 2851 1 9 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.080 -0.179 18475 2852 1 9 . 1 1 64 64 ASN CB C 64 38.541 38.541 40.516 -1.975 18475 2853 1 9 . 1 1 64 64 ASN H H 64 8.471 8.471 8.513 -0.042 18475 2854 1 9 . 1 1 65 65 LEU N N 65 123.365 123.365 123.142 0.223 18475 2855 1 9 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.549 -0.385 18475 2856 1 9 . 1 1 65 65 LEU CA C 65 56.164 56.164 55.221 0.943 18475 2857 1 9 . 1 1 65 65 LEU CB C 65 41.989 41.989 44.194 -2.204 18475 2858 1 9 . 1 1 65 65 LEU H H 65 8.226 8.226 8.597 -0.371 18475 2859 1 9 . 1 1 66 66 TRP N N 66 119.270 119.270 124.150 -4.880 18475 2860 1 9 . 1 1 66 66 TRP HA H 66 4.644 4.644 5.005 -0.361 18475 2861 1 9 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.697 1.121 18475 2862 1 9 . 1 1 66 66 TRP CB C 66 29.145 29.145 30.147 -1.002 18475 2863 1 9 . 1 1 66 66 TRP H H 66 7.886 7.886 7.672 0.214 18475 2864 1 9 . 1 1 67 67 GLU N N 67 121.087 121.087 119.767 1.320 18475 2865 1 9 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.476 -0.252 18475 2866 1 9 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.308 0.675 18475 2867 1 9 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.621 -0.410 18475 2868 1 9 . 1 1 67 67 GLU H H 67 7.982 7.982 8.471 -0.489 18475 2869 1 9 . 1 1 68 68 VAL N N 68 119.603 119.603 122.660 -3.057 18475 2870 1 9 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.310 -0.323 18475 2871 1 9 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.608 0.221 18475 2872 1 9 . 1 1 68 68 VAL CB C 68 32.734 32.734 33.470 -0.736 18475 2873 1 9 . 1 1 68 68 VAL H H 68 7.836 7.836 8.212 -0.376 18475 2874 1 9 . 1 1 69 69 GLU N N 69 122.754 122.754 127.490 -4.736 18475 2875 1 9 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.721 -0.538 18475 2876 1 9 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.153 0.733 18475 2877 1 9 . 1 1 69 69 GLU CB C 69 30.236 30.236 30.570 -0.334 18475 2878 1 9 . 1 1 69 69 GLU H H 69 8.287 8.287 8.543 -0.256 18475 2879 1 9 . 1 1 70 70 HIS N N 70 119.727 119.727 119.496 0.231 18475 2880 1 9 . 1 1 70 70 HIS H H 70 8.145 8.145 8.140 0.005 18475 2881 1 10 . 1 1 2 2 LYS N N 2 125.102 125.102 123.597 1.505 18475 2882 1 10 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.387 -0.597 18475 2883 1 10 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.676 0.673 18475 2884 1 10 . 1 1 2 2 LYS CB C 2 34.348 34.348 36.111 -1.763 18475 2885 1 10 . 1 1 2 2 LYS H H 2 8.576 8.576 8.135 0.441 18475 2886 1 10 . 1 1 3 3 THR N N 3 118.344 118.344 114.388 3.956 18475 2887 1 10 . 1 1 3 3 THR HA H 3 4.431 4.431 4.315 0.116 18475 2888 1 10 . 1 1 3 3 THR CA C 3 58.999 58.999 60.159 -1.160 18475 2889 1 10 . 1 1 3 3 THR CB C 3 70.310 70.310 70.542 -0.232 18475 2890 1 10 . 1 1 3 3 THR H H 3 8.411 8.411 8.369 0.042 18475 2891 1 10 . 1 1 4 4 PHE N N 4 119.203 119.203 121.945 -2.742 18475 2892 1 10 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.757 0.508 18475 2893 1 10 . 1 1 4 4 PHE CA C 4 55.599 55.599 57.372 -1.773 18475 2894 1 10 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.494 2.027 18475 2895 1 10 . 1 1 4 4 PHE H H 4 7.738 7.738 8.232 -0.494 18475 2896 1 10 . 1 1 5 5 ALA N N 5 125.356 125.356 126.106 -0.750 18475 2897 1 10 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.702 -0.378 18475 2898 1 10 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.284 1.430 18475 2899 1 10 . 1 1 5 5 ALA CB C 5 19.937 19.937 20.650 -0.713 18475 2900 1 10 . 1 1 5 5 ALA H H 5 9.071 9.071 8.873 0.198 18475 2901 1 10 . 1 1 6 6 LEU N N 6 126.309 126.309 120.652 5.657 18475 2902 1 10 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.877 -0.369 18475 2903 1 10 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.877 0.520 18475 2904 1 10 . 1 1 6 6 LEU CB C 6 42.307 42.307 45.029 -2.722 18475 2905 1 10 . 1 1 6 6 LEU H H 6 9.657 9.657 8.189 1.468 18475 2906 1 10 . 1 1 7 7 GLN N N 7 119.930 119.930 121.863 -1.933 18475 2907 1 10 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.081 0.096 18475 2908 1 10 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.930 -0.420 18475 2909 1 10 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.716 -0.778 18475 2910 1 10 . 1 1 7 7 GLN H H 7 8.647 8.647 8.690 -0.043 18475 2911 1 10 . 1 1 8 8 GLY N N 8 117.081 117.081 113.633 3.448 18475 2912 1 10 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.632 -0.287 18475 2913 1 10 . 1 1 8 8 GLY H H 8 9.812 9.812 9.104 0.708 18475 2914 1 10 . 1 1 9 9 ASP N N 9 121.569 121.569 118.834 2.735 18475 2915 1 10 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.898 -0.239 18475 2916 1 10 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.627 2.012 18475 2917 1 10 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.671 0.456 18475 2918 1 10 . 1 1 9 9 ASP H H 9 8.085 8.085 8.471 -0.386 18475 2919 1 10 . 1 1 10 10 THR N N 10 106.071 106.071 112.786 -6.715 18475 2920 1 10 . 1 1 10 10 THR HA H 10 4.984 4.984 4.356 0.628 18475 2921 1 10 . 1 1 10 10 THR CA C 10 58.309 58.309 61.662 -3.353 18475 2922 1 10 . 1 1 10 10 THR CB C 10 72.680 72.680 70.073 2.607 18475 2923 1 10 . 1 1 10 10 THR H H 10 6.920 6.920 7.503 -0.583 18475 2924 1 10 . 1 1 11 11 LEU N N 11 122.591 122.591 120.579 2.012 18475 2925 1 10 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.959 0.172 18475 2926 1 10 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.559 -0.232 18475 2927 1 10 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.420 0.002 18475 2928 1 10 . 1 1 11 11 LEU H H 11 9.621 9.621 8.545 1.076 18475 2929 1 10 . 1 1 12 12 ASP N N 12 118.388 118.388 119.281 -0.893 18475 2930 1 10 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.377 -0.236 18475 2931 1 10 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.341 0.468 18475 2932 1 10 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.304 0.162 18475 2933 1 10 . 1 1 12 12 ASP H H 12 8.561 8.561 7.999 0.562 18475 2934 1 10 . 1 1 13 13 ALA N N 13 121.142 121.142 120.795 0.347 18475 2935 1 10 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.351 -0.330 18475 2936 1 10 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.297 0.940 18475 2937 1 10 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.489 -0.980 18475 2938 1 10 . 1 1 13 13 ALA H H 13 7.870 7.870 7.639 0.231 18475 2939 1 10 . 1 1 14 14 ILE N N 14 119.983 119.983 119.404 0.579 18475 2940 1 10 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.658 -0.038 18475 2941 1 10 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.904 0.162 18475 2942 1 10 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.909 0.714 18475 2943 1 10 . 1 1 14 14 ILE H H 14 8.043 8.043 8.628 -0.585 18475 2944 1 10 . 1 1 15 15 CYS N N 15 117.727 117.727 116.659 1.068 18475 2945 1 10 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.457 0.020 18475 2946 1 10 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.316 1.105 18475 2947 1 10 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.267 0.101 18475 2948 1 10 . 1 1 15 15 CYS H H 15 8.477 8.477 8.539 -0.062 18475 2949 1 10 . 1 1 16 16 VAL N N 16 120.808 120.808 119.503 1.305 18475 2950 1 10 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.924 -0.606 18475 2951 1 10 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.811 1.787 18475 2952 1 10 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.887 -0.504 18475 2953 1 10 . 1 1 16 16 VAL H H 16 8.477 8.477 8.046 0.431 18475 2954 1 10 . 1 1 17 17 ARG N N 17 119.589 119.589 119.764 -0.175 18475 2955 1 10 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.176 -0.240 18475 2956 1 10 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.557 1.627 18475 2957 1 10 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.204 0.477 18475 2958 1 10 . 1 1 17 17 ARG H H 17 7.963 7.963 8.231 -0.268 18475 2959 1 10 . 1 1 18 18 TYR N N 18 113.897 113.897 117.151 -3.254 18475 2960 1 10 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.235 0.146 18475 2961 1 10 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.295 0.816 18475 2962 1 10 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.769 0.242 18475 2963 1 10 . 1 1 18 18 TYR H H 18 7.833 7.833 7.992 -0.159 18475 2964 1 10 . 1 1 19 19 TYR N N 19 115.270 115.270 114.134 1.136 18475 2965 1 10 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.577 0.169 18475 2966 1 10 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.568 -0.228 18475 2967 1 10 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.684 0.206 18475 2968 1 10 . 1 1 19 19 TYR H H 19 8.936 8.936 7.708 1.228 18475 2969 1 10 . 1 1 20 20 GLY N N 20 108.099 108.099 106.235 1.864 18475 2970 1 10 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.136 0.664 18475 2971 1 10 . 1 1 20 20 GLY H H 20 7.921 7.921 8.562 -0.641 18475 2972 1 10 . 1 1 21 21 ARG N N 21 115.116 115.116 117.228 -2.112 18475 2973 1 10 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.619 0.114 18475 2974 1 10 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.701 0.019 18475 2975 1 10 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.431 -0.166 18475 2976 1 10 . 1 1 21 21 ARG H H 21 7.495 7.495 7.839 -0.344 18475 2977 1 10 . 1 1 22 22 THR N N 22 106.239 106.239 108.948 -2.709 18475 2978 1 10 . 1 1 22 22 THR HA H 22 4.320 4.320 4.375 -0.055 18475 2979 1 10 . 1 1 22 22 THR CA C 22 62.284 62.284 62.095 0.189 18475 2980 1 10 . 1 1 22 22 THR CB C 22 69.292 69.292 69.982 -0.690 18475 2981 1 10 . 1 1 22 22 THR H H 22 8.162 8.162 8.316 -0.154 18475 2982 1 10 . 1 1 23 23 GLU N N 23 126.964 126.964 122.784 4.180 18475 2983 1 10 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.135 0.030 18475 2984 1 10 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.211 1.541 18475 2985 1 10 . 1 1 23 23 GLU CB C 23 28.980 28.980 29.201 -0.221 18475 2986 1 10 . 1 1 23 23 GLU H H 23 8.543 8.543 8.235 0.308 18475 2987 1 10 . 1 1 24 24 GLY N N 24 115.618 115.618 113.567 2.051 18475 2988 1 10 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.733 0.282 18475 2989 1 10 . 1 1 24 24 GLY H H 24 9.112 9.112 8.480 0.632 18475 2990 1 10 . 1 1 25 25 VAL N N 25 118.084 118.084 120.201 -2.117 18475 2991 1 10 . 1 1 25 25 VAL HA H 25 4.004 4.004 4.024 -0.020 18475 2992 1 10 . 1 1 25 25 VAL CA C 25 63.479 63.479 64.073 -0.594 18475 2993 1 10 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.903 0.980 18475 2994 1 10 . 1 1 25 25 VAL H H 25 7.860 7.860 7.205 0.655 18475 2995 1 10 . 1 1 26 26 VAL N N 26 121.094 121.094 117.332 3.762 18475 2996 1 10 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.730 0.027 18475 2997 1 10 . 1 1 26 26 VAL CA C 26 66.861 66.861 66.090 0.771 18475 2998 1 10 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.964 0.926 18475 2999 1 10 . 1 1 26 26 VAL H H 26 8.101 8.101 7.749 0.352 18475 3000 1 10 . 1 1 27 27 GLU N N 27 119.186 119.186 119.513 -0.327 18475 3001 1 10 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.169 -0.187 18475 3002 1 10 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.055 1.605 18475 3003 1 10 . 1 1 27 27 GLU CB C 27 28.456 28.456 28.883 -0.427 18475 3004 1 10 . 1 1 27 27 GLU H H 27 8.910 8.910 8.738 0.172 18475 3005 1 10 . 1 1 28 28 THR N N 28 117.846 117.846 117.533 0.313 18475 3006 1 10 . 1 1 28 28 THR HA H 28 3.980 3.980 4.015 -0.035 18475 3007 1 10 . 1 1 28 28 THR CA C 28 66.119 66.119 66.567 -0.448 18475 3008 1 10 . 1 1 28 28 THR CB C 28 68.459 68.459 68.542 -0.083 18475 3009 1 10 . 1 1 28 28 THR H H 28 7.502 7.502 7.796 -0.294 18475 3010 1 10 . 1 1 29 29 VAL N N 29 123.919 123.919 120.919 3.000 18475 3011 1 10 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.634 -0.207 18475 3012 1 10 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.555 0.844 18475 3013 1 10 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.900 0.665 18475 3014 1 10 . 1 1 29 29 VAL H H 29 8.025 8.025 7.458 0.567 18475 3015 1 10 . 1 1 30 30 LEU N N 30 122.820 122.820 119.254 3.566 18475 3016 1 10 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.058 -0.083 18475 3017 1 10 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.419 1.533 18475 3018 1 10 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.480 -0.020 18475 3019 1 10 . 1 1 30 30 LEU H H 30 8.971 8.971 7.504 1.467 18475 3020 1 10 . 1 1 31 31 ALA N N 31 120.021 120.021 120.525 -0.504 18475 3021 1 10 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.036 0.062 18475 3022 1 10 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.593 -0.022 18475 3023 1 10 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.275 -0.360 18475 3024 1 10 . 1 1 31 31 ALA H H 31 7.652 7.652 7.522 0.130 18475 3025 1 10 . 1 1 32 32 ALA N N 32 117.285 117.285 119.591 -2.306 18475 3026 1 10 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.191 0.203 18475 3027 1 10 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.076 -1.052 18475 3028 1 10 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.930 -0.563 18475 3029 1 10 . 1 1 32 32 ALA H H 32 7.278 7.278 7.786 -0.508 18475 3030 1 10 . 1 1 33 33 ASN N N 33 116.716 116.716 116.846 -0.130 18475 3031 1 10 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.103 0.083 18475 3032 1 10 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.864 0.365 18475 3033 1 10 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.358 2.055 18475 3034 1 10 . 1 1 33 33 ASN H H 33 7.536 7.536 8.010 -0.474 18475 3035 1 10 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.580 -0.093 18475 3036 1 10 . 1 1 34 34 PRO CA C 34 64.760 64.760 64.026 0.734 18475 3037 1 10 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.148 -0.734 18475 3038 1 10 . 1 1 35 35 GLY N N 35 110.626 110.626 111.671 -1.045 18475 3039 1 10 . 1 1 35 35 GLY CA C 35 45.640 45.640 44.991 0.649 18475 3040 1 10 . 1 1 35 35 GLY H H 35 8.911 8.911 8.625 0.286 18475 3041 1 10 . 1 1 36 36 LEU N N 36 121.614 121.614 123.166 -1.552 18475 3042 1 10 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.113 0.134 18475 3043 1 10 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.694 0.030 18475 3044 1 10 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.002 0.979 18475 3045 1 10 . 1 1 36 36 LEU H H 36 7.974 7.974 7.615 0.359 18475 3046 1 10 . 1 1 37 37 ALA N N 37 120.690 120.690 120.045 0.645 18475 3047 1 10 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.052 0.091 18475 3048 1 10 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.561 -0.119 18475 3049 1 10 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.464 0.534 18475 3050 1 10 . 1 1 37 37 ALA H H 37 8.215 8.215 8.642 -0.427 18475 3051 1 10 . 1 1 38 38 GLU N N 38 115.505 115.505 117.109 -1.604 18475 3052 1 10 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.267 0.024 18475 3053 1 10 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.425 0.563 18475 3054 1 10 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.392 0.447 18475 3055 1 10 . 1 1 38 38 GLU H H 38 7.982 7.982 7.740 0.242 18475 3056 1 10 . 1 1 39 39 LEU N N 39 119.888 119.888 120.730 -0.842 18475 3057 1 10 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.153 0.116 18475 3058 1 10 . 1 1 39 39 LEU CA C 39 55.940 55.940 55.880 0.060 18475 3059 1 10 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.549 -0.241 18475 3060 1 10 . 1 1 39 39 LEU H H 39 7.760 7.760 7.458 0.302 18475 3061 1 10 . 1 1 40 40 GLY N N 40 105.788 105.788 105.754 0.034 18475 3062 1 10 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.170 0.280 18475 3063 1 10 . 1 1 40 40 GLY H H 40 7.863 7.863 7.481 0.382 18475 3064 1 10 . 1 1 41 41 ALA N N 41 120.963 120.963 121.991 -1.028 18475 3065 1 10 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.184 -0.003 18475 3066 1 10 . 1 1 41 41 ALA CA C 41 54.089 54.089 53.702 0.387 18475 3067 1 10 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.127 0.294 18475 3068 1 10 . 1 1 41 41 ALA H H 41 7.956 7.956 8.106 -0.150 18475 3069 1 10 . 1 1 42 42 VAL N N 42 116.969 116.969 119.126 -2.157 18475 3070 1 10 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.182 0.024 18475 3071 1 10 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.211 0.447 18475 3072 1 10 . 1 1 42 42 VAL CB C 42 32.330 32.330 33.120 -0.790 18475 3073 1 10 . 1 1 42 42 VAL H H 42 7.848 7.848 7.763 0.085 18475 3074 1 10 . 1 1 43 43 LEU N N 43 129.206 129.206 127.986 1.220 18475 3075 1 10 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.437 0.034 18475 3076 1 10 . 1 1 43 43 LEU CA C 43 52.410 52.410 53.969 -1.559 18475 3077 1 10 . 1 1 43 43 LEU CB C 43 42.204 42.204 40.824 1.380 18475 3078 1 10 . 1 1 43 43 LEU H H 43 8.764 8.764 8.433 0.331 18475 3079 1 10 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.523 -0.093 18475 3080 1 10 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.865 -0.440 18475 3081 1 10 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.574 -0.717 18475 3082 1 10 . 1 1 45 45 HIS N N 45 126.707 126.707 113.827 12.880 18475 3083 1 10 . 1 1 45 45 HIS HA H 45 4.017 4.017 5.252 -1.235 18475 3084 1 10 . 1 1 45 45 HIS CA C 45 57.747 57.747 54.363 3.384 18475 3085 1 10 . 1 1 45 45 HIS CB C 45 31.007 31.007 29.491 1.516 18475 3086 1 10 . 1 1 45 45 HIS H H 45 8.880 8.880 7.837 1.043 18475 3087 1 10 . 1 1 46 46 GLY N N 46 115.148 115.148 111.873 3.275 18475 3088 1 10 . 1 1 46 46 GLY CA C 46 45.091 45.091 45.661 -0.570 18475 3089 1 10 . 1 1 46 46 GLY H H 46 9.143 9.143 8.496 0.647 18475 3090 1 10 . 1 1 47 47 THR N N 47 117.455 117.455 120.319 -2.864 18475 3091 1 10 . 1 1 47 47 THR HA H 47 3.919 3.919 4.423 -0.504 18475 3092 1 10 . 1 1 47 47 THR CA C 47 65.329 65.329 62.898 2.430 18475 3093 1 10 . 1 1 47 47 THR CB C 47 70.171 70.171 69.071 1.100 18475 3094 1 10 . 1 1 47 47 THR H H 47 7.680 7.680 7.979 -0.299 18475 3095 1 10 . 1 1 48 48 ALA N N 48 131.425 131.425 129.847 1.578 18475 3096 1 10 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.700 -0.232 18475 3097 1 10 . 1 1 48 48 ALA CA C 48 52.054 52.054 52.261 -0.207 18475 3098 1 10 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.675 -0.139 18475 3099 1 10 . 1 1 48 48 ALA H H 48 8.777 8.777 8.609 0.168 18475 3100 1 10 . 1 1 49 49 VAL N N 49 122.720 122.720 119.803 2.917 18475 3101 1 10 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.238 -0.280 18475 3102 1 10 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.486 -0.064 18475 3103 1 10 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.715 -0.741 18475 3104 1 10 . 1 1 49 49 VAL H H 49 8.564 8.564 7.947 0.617 18475 3105 1 10 . 1 1 50 50 GLU N N 50 129.105 129.105 126.540 2.565 18475 3106 1 10 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.287 0.041 18475 3107 1 10 . 1 1 50 50 GLU CA C 50 55.869 55.869 55.776 0.093 18475 3108 1 10 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.474 -0.697 18475 3109 1 10 . 1 1 50 50 GLU H H 50 9.632 9.632 8.644 0.988 18475 3110 1 10 . 1 1 51 51 LEU N N 51 126.085 126.085 127.837 -1.752 18475 3111 1 10 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.749 0.195 18475 3112 1 10 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.949 -0.965 18475 3113 1 10 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.996 -1.077 18475 3114 1 10 . 1 1 51 51 LEU H H 51 8.474 8.474 8.122 0.352 18475 3115 1 10 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.438 0.054 18475 3116 1 10 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.830 -0.700 18475 3117 1 10 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.358 0.229 18475 3118 1 10 . 1 1 53 53 ASP N N 53 120.950 120.950 119.578 1.372 18475 3119 1 10 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.414 0.261 18475 3120 1 10 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.269 -0.149 18475 3121 1 10 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.469 0.021 18475 3122 1 10 . 1 1 53 53 ASP H H 53 8.737 8.737 8.603 0.134 18475 3123 1 10 . 1 1 54 54 VAL N N 54 121.459 121.459 118.221 3.238 18475 3124 1 10 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.370 -0.173 18475 3125 1 10 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.279 0.751 18475 3126 1 10 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.440 -1.113 18475 3127 1 10 . 1 1 54 54 VAL H H 54 8.161 8.161 8.004 0.157 18475 3128 1 10 . 1 1 55 55 GLN N N 55 124.703 124.703 124.777 -0.074 18475 3129 1 10 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.666 -0.235 18475 3130 1 10 . 1 1 55 55 GLN CA C 55 56.109 56.109 54.761 1.348 18475 3131 1 10 . 1 1 55 55 GLN CB C 55 29.484 29.484 30.023 -0.539 18475 3132 1 10 . 1 1 55 55 GLN H H 55 8.623 8.623 8.480 0.143 18475 3133 1 10 . 1 1 56 56 THR HA H 56 4.332 4.332 4.476 -0.144 18475 3134 1 10 . 1 1 56 56 THR CA C 56 61.688 61.688 61.765 -0.077 18475 3135 1 10 . 1 1 56 56 THR CB C 56 69.969 69.969 69.909 0.060 18475 3136 1 10 . 1 1 57 57 ALA N N 57 127.534 127.534 125.252 2.282 18475 3137 1 10 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.230 0.423 18475 3138 1 10 . 1 1 57 57 ALA CA C 57 50.572 50.572 51.771 -1.199 18475 3139 1 10 . 1 1 57 57 ALA CB C 57 18.397 18.397 17.943 0.454 18475 3140 1 10 . 1 1 57 57 ALA H H 57 8.277 8.277 8.436 -0.159 18475 3141 1 10 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.513 -0.029 18475 3142 1 10 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.012 0.398 18475 3143 1 10 . 1 1 58 58 PRO CB C 58 32.030 32.030 32.520 -0.490 18475 3144 1 10 . 1 1 59 59 VAL N N 59 120.618 120.618 119.607 1.011 18475 3145 1 10 . 1 1 59 59 VAL HA H 59 4.067 4.067 3.899 0.168 18475 3146 1 10 . 1 1 59 59 VAL CA C 59 62.396 62.396 63.265 -0.869 18475 3147 1 10 . 1 1 59 59 VAL CB C 59 32.832 32.832 31.684 1.148 18475 3148 1 10 . 1 1 59 59 VAL H H 59 8.219 8.219 8.165 0.054 18475 3149 1 10 . 1 1 60 60 ALA N N 60 127.858 127.858 130.974 -3.116 18475 3150 1 10 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.366 -0.044 18475 3151 1 10 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.900 -0.259 18475 3152 1 10 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.220 0.148 18475 3153 1 10 . 1 1 60 60 ALA H H 60 8.399 8.399 8.510 -0.111 18475 3154 1 10 . 1 1 61 61 GLU N N 61 120.215 120.215 120.342 -0.127 18475 3155 1 10 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.379 -0.074 18475 3156 1 10 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.050 0.728 18475 3157 1 10 . 1 1 61 61 GLU CB C 61 30.357 30.357 28.866 1.491 18475 3158 1 10 . 1 1 61 61 GLU H H 61 8.405 8.405 8.423 -0.018 18475 3159 1 10 . 1 1 62 62 THR N N 62 115.392 115.392 115.343 0.049 18475 3160 1 10 . 1 1 62 62 THR HA H 62 4.327 4.327 4.440 -0.113 18475 3161 1 10 . 1 1 62 62 THR CA C 62 61.984 61.984 61.913 0.071 18475 3162 1 10 . 1 1 62 62 THR CB C 62 69.856 69.856 70.126 -0.270 18475 3163 1 10 . 1 1 62 62 THR H H 62 8.166 8.166 7.636 0.530 18475 3164 1 10 . 1 1 63 63 VAL N N 63 122.511 122.511 123.168 -0.657 18475 3165 1 10 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.261 -0.214 18475 3166 1 10 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.243 1.029 18475 3167 1 10 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.800 -0.947 18475 3168 1 10 . 1 1 63 63 VAL H H 63 8.099 8.099 8.254 -0.155 18475 3169 1 10 . 1 1 64 64 ASN N N 64 122.642 122.642 124.059 -1.417 18475 3170 1 10 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.642 -0.019 18475 3171 1 10 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.406 -0.505 18475 3172 1 10 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.948 -0.407 18475 3173 1 10 . 1 1 64 64 ASN H H 64 8.471 8.471 8.529 -0.058 18475 3174 1 10 . 1 1 65 65 LEU N N 65 123.365 123.365 121.083 2.282 18475 3175 1 10 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.494 -0.330 18475 3176 1 10 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.650 1.514 18475 3177 1 10 . 1 1 65 65 LEU CB C 65 41.989 41.989 43.870 -1.881 18475 3178 1 10 . 1 1 65 65 LEU H H 65 8.226 8.226 8.105 0.121 18475 3179 1 10 . 1 1 66 66 TRP N N 66 119.270 119.270 125.799 -6.529 18475 3180 1 10 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.743 -0.099 18475 3181 1 10 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.496 1.321 18475 3182 1 10 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.737 -0.592 18475 3183 1 10 . 1 1 66 66 TRP H H 66 7.886 7.886 8.038 -0.152 18475 3184 1 10 . 1 1 67 67 GLU N N 67 121.087 121.087 120.562 0.525 18475 3185 1 10 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.641 -0.417 18475 3186 1 10 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.221 0.762 18475 3187 1 10 . 1 1 67 67 GLU CB C 67 30.211 30.211 31.562 -1.351 18475 3188 1 10 . 1 1 67 67 GLU H H 67 7.982 7.982 8.469 -0.487 18475 3189 1 10 . 1 1 68 68 VAL N N 68 119.603 119.603 120.435 -0.832 18475 3190 1 10 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.297 -0.310 18475 3191 1 10 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.016 0.813 18475 3192 1 10 . 1 1 68 68 VAL CB C 68 32.734 32.734 31.789 0.945 18475 3193 1 10 . 1 1 68 68 VAL H H 68 7.836 7.836 8.171 -0.335 18475 3194 1 10 . 1 1 69 69 GLU N N 69 122.754 122.754 121.677 1.077 18475 3195 1 10 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.504 -0.321 18475 3196 1 10 . 1 1 69 69 GLU CA C 69 56.886 56.886 55.600 1.286 18475 3197 1 10 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.492 0.744 18475 3198 1 10 . 1 1 69 69 GLU H H 69 8.287 8.287 8.068 0.219 18475 3199 1 10 . 1 1 70 70 HIS N N 70 119.727 119.727 122.333 -2.606 18475 3200 1 10 . 1 1 70 70 HIS H H 70 8.145 8.145 8.302 -0.157 18475 3201 1 11 . 1 1 2 2 LYS N N 2 125.102 125.102 121.461 3.641 18475 3202 1 11 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.513 -0.723 18475 3203 1 11 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.830 0.520 18475 3204 1 11 . 1 1 2 2 LYS CB C 2 34.348 34.348 35.744 -1.396 18475 3205 1 11 . 1 1 2 2 LYS H H 2 8.576 8.576 8.393 0.183 18475 3206 1 11 . 1 1 3 3 THR N N 3 118.344 118.344 115.184 3.160 18475 3207 1 11 . 1 1 3 3 THR HA H 3 4.431 4.431 4.271 0.160 18475 3208 1 11 . 1 1 3 3 THR CA C 3 58.999 58.999 60.573 -1.574 18475 3209 1 11 . 1 1 3 3 THR CB C 3 70.310 70.310 70.351 -0.041 18475 3210 1 11 . 1 1 3 3 THR H H 3 8.411 8.411 8.062 0.349 18475 3211 1 11 . 1 1 4 4 PHE N N 4 119.203 119.203 121.647 -2.444 18475 3212 1 11 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.742 0.523 18475 3213 1 11 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.420 -0.821 18475 3214 1 11 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.662 1.859 18475 3215 1 11 . 1 1 4 4 PHE H H 4 7.738 7.738 8.102 -0.364 18475 3216 1 11 . 1 1 5 5 ALA N N 5 125.356 125.356 126.348 -0.992 18475 3217 1 11 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.864 -0.540 18475 3218 1 11 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.096 1.618 18475 3219 1 11 . 1 1 5 5 ALA CB C 5 19.937 19.937 18.969 0.968 18475 3220 1 11 . 1 1 5 5 ALA H H 5 9.071 9.071 8.669 0.402 18475 3221 1 11 . 1 1 6 6 LEU N N 6 126.309 126.309 124.293 2.016 18475 3222 1 11 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.721 -0.213 18475 3223 1 11 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.643 0.754 18475 3224 1 11 . 1 1 6 6 LEU CB C 6 42.307 42.307 43.705 -1.398 18475 3225 1 11 . 1 1 6 6 LEU H H 6 9.657 9.657 7.909 1.748 18475 3226 1 11 . 1 1 7 7 GLN N N 7 119.930 119.930 121.641 -1.711 18475 3227 1 11 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.076 0.101 18475 3228 1 11 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.804 -0.294 18475 3229 1 11 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.580 -0.642 18475 3230 1 11 . 1 1 7 7 GLN H H 7 8.647 8.647 8.686 -0.039 18475 3231 1 11 . 1 1 8 8 GLY N N 8 117.081 117.081 113.981 3.100 18475 3232 1 11 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.637 -0.292 18475 3233 1 11 . 1 1 8 8 GLY H H 8 9.812 9.812 8.954 0.858 18475 3234 1 11 . 1 1 9 9 ASP N N 9 121.569 121.569 119.122 2.447 18475 3235 1 11 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.913 -0.254 18475 3236 1 11 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.448 2.191 18475 3237 1 11 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.240 0.887 18475 3238 1 11 . 1 1 9 9 ASP H H 9 8.085 8.085 8.543 -0.458 18475 3239 1 11 . 1 1 10 10 THR N N 10 106.071 106.071 111.063 -4.992 18475 3240 1 11 . 1 1 10 10 THR HA H 10 4.984 4.984 4.322 0.662 18475 3241 1 11 . 1 1 10 10 THR CA C 10 58.309 58.309 60.531 -2.222 18475 3242 1 11 . 1 1 10 10 THR CB C 10 72.680 72.680 70.305 2.375 18475 3243 1 11 . 1 1 10 10 THR H H 10 6.920 6.920 7.437 -0.517 18475 3244 1 11 . 1 1 11 11 LEU N N 11 122.591 122.591 119.643 2.948 18475 3245 1 11 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.980 0.151 18475 3246 1 11 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.645 -0.319 18475 3247 1 11 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.442 -0.020 18475 3248 1 11 . 1 1 11 11 LEU H H 11 9.621 9.621 8.774 0.847 18475 3249 1 11 . 1 1 12 12 ASP N N 12 118.388 118.388 118.900 -0.512 18475 3250 1 11 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.417 -0.276 18475 3251 1 11 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.084 0.725 18475 3252 1 11 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.217 0.249 18475 3253 1 11 . 1 1 12 12 ASP H H 12 8.561 8.561 8.061 0.500 18475 3254 1 11 . 1 1 13 13 ALA N N 13 121.142 121.142 121.442 -0.300 18475 3255 1 11 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.336 -0.315 18475 3256 1 11 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.326 0.911 18475 3257 1 11 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.415 -0.906 18475 3258 1 11 . 1 1 13 13 ALA H H 13 7.870 7.870 7.608 0.262 18475 3259 1 11 . 1 1 14 14 ILE N N 14 119.983 119.983 119.582 0.401 18475 3260 1 11 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.609 0.011 18475 3261 1 11 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.644 0.422 18475 3262 1 11 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.788 0.835 18475 3263 1 11 . 1 1 14 14 ILE H H 14 8.043 8.043 8.569 -0.526 18475 3264 1 11 . 1 1 15 15 CYS N N 15 117.727 117.727 116.418 1.309 18475 3265 1 11 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.341 0.136 18475 3266 1 11 . 1 1 15 15 CYS CA C 15 65.421 65.421 65.257 0.164 18475 3267 1 11 . 1 1 15 15 CYS CB C 15 26.368 26.368 27.233 -0.865 18475 3268 1 11 . 1 1 15 15 CYS H H 15 8.477 8.477 8.397 0.080 18475 3269 1 11 . 1 1 16 16 VAL N N 16 120.808 120.808 118.240 2.568 18475 3270 1 11 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.018 -0.700 18475 3271 1 11 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.450 2.148 18475 3272 1 11 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.332 0.051 18475 3273 1 11 . 1 1 16 16 VAL H H 16 8.477 8.477 8.001 0.476 18475 3274 1 11 . 1 1 17 17 ARG N N 17 119.589 119.589 119.620 -0.031 18475 3275 1 11 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.206 -0.270 18475 3276 1 11 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.683 1.501 18475 3277 1 11 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.490 0.191 18475 3278 1 11 . 1 1 17 17 ARG H H 17 7.963 7.963 7.842 0.121 18475 3279 1 11 . 1 1 18 18 TYR N N 18 113.897 113.897 117.076 -3.179 18475 3280 1 11 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.300 0.081 18475 3281 1 11 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.265 0.846 18475 3282 1 11 . 1 1 18 18 TYR CB C 18 40.011 40.011 38.739 1.272 18475 3283 1 11 . 1 1 18 18 TYR H H 18 7.833 7.833 8.430 -0.597 18475 3284 1 11 . 1 1 19 19 TYR N N 19 115.270 115.270 116.000 -0.730 18475 3285 1 11 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.547 0.198 18475 3286 1 11 . 1 1 19 19 TYR CA C 19 58.340 58.340 59.313 -0.973 18475 3287 1 11 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.027 0.863 18475 3288 1 11 . 1 1 19 19 TYR H H 19 8.936 8.936 7.633 1.303 18475 3289 1 11 . 1 1 20 20 GLY N N 20 108.099 108.099 105.492 2.607 18475 3290 1 11 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.119 0.681 18475 3291 1 11 . 1 1 20 20 GLY H H 20 7.921 7.921 8.354 -0.433 18475 3292 1 11 . 1 1 21 21 ARG N N 21 115.116 115.116 117.154 -2.038 18475 3293 1 11 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.643 0.090 18475 3294 1 11 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.648 0.073 18475 3295 1 11 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.328 -0.063 18475 3296 1 11 . 1 1 21 21 ARG H H 21 7.495 7.495 7.751 -0.256 18475 3297 1 11 . 1 1 22 22 THR N N 22 106.239 106.239 108.821 -2.582 18475 3298 1 11 . 1 1 22 22 THR HA H 22 4.320 4.320 4.364 -0.043 18475 3299 1 11 . 1 1 22 22 THR CA C 22 62.284 62.284 61.871 0.413 18475 3300 1 11 . 1 1 22 22 THR CB C 22 69.292 69.292 69.971 -0.678 18475 3301 1 11 . 1 1 22 22 THR H H 22 8.162 8.162 8.269 -0.107 18475 3302 1 11 . 1 1 23 23 GLU N N 23 126.964 126.964 123.614 3.350 18475 3303 1 11 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.052 0.113 18475 3304 1 11 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.838 0.914 18475 3305 1 11 . 1 1 23 23 GLU CB C 23 28.980 28.980 29.003 -0.023 18475 3306 1 11 . 1 1 23 23 GLU H H 23 8.543 8.543 8.305 0.238 18475 3307 1 11 . 1 1 24 24 GLY N N 24 115.618 115.618 113.330 2.288 18475 3308 1 11 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.659 0.356 18475 3309 1 11 . 1 1 24 24 GLY H H 24 9.112 9.112 8.664 0.448 18475 3310 1 11 . 1 1 25 25 VAL N N 25 118.084 118.084 121.103 -3.019 18475 3311 1 11 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.991 0.013 18475 3312 1 11 . 1 1 25 25 VAL CA C 25 63.479 63.479 62.706 0.773 18475 3313 1 11 . 1 1 25 25 VAL CB C 25 33.883 33.883 31.849 2.034 18475 3314 1 11 . 1 1 25 25 VAL H H 25 7.860 7.860 7.627 0.233 18475 3315 1 11 . 1 1 26 26 VAL N N 26 121.094 121.094 117.356 3.738 18475 3316 1 11 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.649 0.108 18475 3317 1 11 . 1 1 26 26 VAL CA C 26 66.861 66.861 66.563 0.298 18475 3318 1 11 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.306 0.584 18475 3319 1 11 . 1 1 26 26 VAL H H 26 8.101 8.101 8.074 0.027 18475 3320 1 11 . 1 1 27 27 GLU N N 27 119.186 119.186 118.942 0.244 18475 3321 1 11 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.032 -0.050 18475 3322 1 11 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.087 1.573 18475 3323 1 11 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.080 -0.624 18475 3324 1 11 . 1 1 27 27 GLU H H 27 8.910 8.910 8.785 0.125 18475 3325 1 11 . 1 1 28 28 THR N N 28 117.846 117.846 116.930 0.916 18475 3326 1 11 . 1 1 28 28 THR HA H 28 3.980 3.980 4.015 -0.035 18475 3327 1 11 . 1 1 28 28 THR CA C 28 66.119 66.119 65.920 0.199 18475 3328 1 11 . 1 1 28 28 THR CB C 28 68.459 68.459 68.749 -0.290 18475 3329 1 11 . 1 1 28 28 THR H H 28 7.502 7.502 7.737 -0.235 18475 3330 1 11 . 1 1 29 29 VAL N N 29 123.919 123.919 122.056 1.863 18475 3331 1 11 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.680 -0.253 18475 3332 1 11 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.670 0.729 18475 3333 1 11 . 1 1 29 29 VAL CB C 29 31.565 31.565 31.054 0.511 18475 3334 1 11 . 1 1 29 29 VAL H H 29 8.025 8.025 7.576 0.449 18475 3335 1 11 . 1 1 30 30 LEU N N 30 122.820 122.820 118.159 4.661 18475 3336 1 11 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.139 -0.164 18475 3337 1 11 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.700 1.252 18475 3338 1 11 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.486 -0.026 18475 3339 1 11 . 1 1 30 30 LEU H H 30 8.971 8.971 7.858 1.113 18475 3340 1 11 . 1 1 31 31 ALA N N 31 120.021 120.021 120.828 -0.807 18475 3341 1 11 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.141 -0.043 18475 3342 1 11 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.490 0.081 18475 3343 1 11 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.291 -0.376 18475 3344 1 11 . 1 1 31 31 ALA H H 31 7.652 7.652 7.558 0.094 18475 3345 1 11 . 1 1 32 32 ALA N N 32 117.285 117.285 119.932 -2.647 18475 3346 1 11 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.269 0.125 18475 3347 1 11 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.063 -1.039 18475 3348 1 11 . 1 1 32 32 ALA CB C 32 19.367 19.367 20.057 -0.690 18475 3349 1 11 . 1 1 32 32 ALA H H 32 7.278 7.278 7.945 -0.667 18475 3350 1 11 . 1 1 33 33 ASN N N 33 116.716 116.716 116.868 -0.152 18475 3351 1 11 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.215 -0.029 18475 3352 1 11 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.923 0.306 18475 3353 1 11 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.664 1.749 18475 3354 1 11 . 1 1 33 33 ASN H H 33 7.536 7.536 8.171 -0.635 18475 3355 1 11 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.623 -0.136 18475 3356 1 11 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.834 0.926 18475 3357 1 11 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.017 -0.603 18475 3358 1 11 . 1 1 35 35 GLY N N 35 110.626 110.626 111.008 -0.382 18475 3359 1 11 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.170 0.470 18475 3360 1 11 . 1 1 35 35 GLY H H 35 8.911 8.911 8.594 0.317 18475 3361 1 11 . 1 1 36 36 LEU N N 36 121.614 121.614 122.813 -1.199 18475 3362 1 11 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.167 0.080 18475 3363 1 11 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.627 -0.903 18475 3364 1 11 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.055 0.926 18475 3365 1 11 . 1 1 36 36 LEU H H 36 7.974 7.974 7.472 0.502 18475 3366 1 11 . 1 1 37 37 ALA N N 37 120.690 120.690 121.856 -1.166 18475 3367 1 11 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.040 0.103 18475 3368 1 11 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.821 -0.379 18475 3369 1 11 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.215 0.783 18475 3370 1 11 . 1 1 37 37 ALA H H 37 8.215 8.215 8.575 -0.360 18475 3371 1 11 . 1 1 38 38 GLU N N 38 115.505 115.505 117.301 -1.796 18475 3372 1 11 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.062 0.229 18475 3373 1 11 . 1 1 38 38 GLU CA C 38 56.988 56.988 58.233 -1.245 18475 3374 1 11 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.095 0.744 18475 3375 1 11 . 1 1 38 38 GLU H H 38 7.982 7.982 8.571 -0.589 18475 3376 1 11 . 1 1 39 39 LEU N N 39 119.888 119.888 119.558 0.330 18475 3377 1 11 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.037 0.232 18475 3378 1 11 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.517 -0.577 18475 3379 1 11 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.619 -0.311 18475 3380 1 11 . 1 1 39 39 LEU H H 39 7.760 7.760 7.501 0.259 18475 3381 1 11 . 1 1 40 40 GLY N N 40 105.788 105.788 104.336 1.452 18475 3382 1 11 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.511 -0.062 18475 3383 1 11 . 1 1 40 40 GLY H H 40 7.863 7.863 7.447 0.416 18475 3384 1 11 . 1 1 41 41 ALA N N 41 120.963 120.963 122.783 -1.820 18475 3385 1 11 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.418 -0.237 18475 3386 1 11 . 1 1 41 41 ALA CA C 41 54.089 54.089 53.164 0.925 18475 3387 1 11 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.312 0.109 18475 3388 1 11 . 1 1 41 41 ALA H H 41 7.956 7.956 8.170 -0.214 18475 3389 1 11 . 1 1 42 42 VAL N N 42 116.969 116.969 120.755 -3.786 18475 3390 1 11 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.148 0.058 18475 3391 1 11 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.622 0.036 18475 3392 1 11 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.914 -0.584 18475 3393 1 11 . 1 1 42 42 VAL H H 42 7.848 7.848 7.893 -0.045 18475 3394 1 11 . 1 1 43 43 LEU N N 43 129.206 129.206 124.823 4.383 18475 3395 1 11 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.683 -0.212 18475 3396 1 11 . 1 1 43 43 LEU CA C 43 52.410 52.410 51.124 1.286 18475 3397 1 11 . 1 1 43 43 LEU CB C 43 42.204 42.204 40.725 1.479 18475 3398 1 11 . 1 1 43 43 LEU H H 43 8.764 8.764 8.248 0.516 18475 3399 1 11 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.505 -0.075 18475 3400 1 11 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.648 -0.222 18475 3401 1 11 . 1 1 44 44 PRO CB C 44 31.857 31.857 31.970 -0.113 18475 3402 1 11 . 1 1 45 45 HIS N N 45 126.707 126.707 120.671 6.036 18475 3403 1 11 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.494 -0.477 18475 3404 1 11 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.724 1.023 18475 3405 1 11 . 1 1 45 45 HIS CB C 45 31.007 31.007 28.316 2.692 18475 3406 1 11 . 1 1 45 45 HIS H H 45 8.880 8.880 8.638 0.242 18475 3407 1 11 . 1 1 46 46 GLY N N 46 115.148 115.148 112.548 2.600 18475 3408 1 11 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.860 0.231 18475 3409 1 11 . 1 1 46 46 GLY H H 46 9.143 9.143 8.473 0.670 18475 3410 1 11 . 1 1 47 47 THR N N 47 117.455 117.455 120.985 -3.530 18475 3411 1 11 . 1 1 47 47 THR HA H 47 3.919 3.919 4.512 -0.593 18475 3412 1 11 . 1 1 47 47 THR CA C 47 65.329 65.329 62.350 2.979 18475 3413 1 11 . 1 1 47 47 THR CB C 47 70.171 70.171 68.882 1.288 18475 3414 1 11 . 1 1 47 47 THR H H 47 7.680 7.680 7.980 -0.300 18475 3415 1 11 . 1 1 48 48 ALA N N 48 131.425 131.425 130.727 0.698 18475 3416 1 11 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.794 -0.326 18475 3417 1 11 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.477 0.577 18475 3418 1 11 . 1 1 48 48 ALA CB C 48 19.536 19.536 20.055 -0.519 18475 3419 1 11 . 1 1 48 48 ALA H H 48 8.777 8.777 8.700 0.077 18475 3420 1 11 . 1 1 49 49 VAL N N 49 122.720 122.720 120.752 1.968 18475 3421 1 11 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.266 -0.308 18475 3422 1 11 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.154 0.268 18475 3423 1 11 . 1 1 49 49 VAL CB C 49 34.974 34.974 36.258 -1.284 18475 3424 1 11 . 1 1 49 49 VAL H H 49 8.564 8.564 8.268 0.296 18475 3425 1 11 . 1 1 50 50 GLU N N 50 129.105 129.105 125.904 3.201 18475 3426 1 11 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.311 0.017 18475 3427 1 11 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.211 -0.342 18475 3428 1 11 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.795 -1.018 18475 3429 1 11 . 1 1 50 50 GLU H H 50 9.632 9.632 8.466 1.166 18475 3430 1 11 . 1 1 51 51 LEU N N 51 126.085 126.085 128.081 -1.996 18475 3431 1 11 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.803 0.141 18475 3432 1 11 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.861 -0.877 18475 3433 1 11 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.127 -0.208 18475 3434 1 11 . 1 1 51 51 LEU H H 51 8.474 8.474 8.519 -0.045 18475 3435 1 11 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.440 0.052 18475 3436 1 11 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.920 -0.790 18475 3437 1 11 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.371 0.216 18475 3438 1 11 . 1 1 53 53 ASP N N 53 120.950 120.950 120.478 0.472 18475 3439 1 11 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.429 0.246 18475 3440 1 11 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.259 -0.139 18475 3441 1 11 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.596 -0.106 18475 3442 1 11 . 1 1 53 53 ASP H H 53 8.737 8.737 8.612 0.125 18475 3443 1 11 . 1 1 54 54 VAL N N 54 121.459 121.459 118.289 3.170 18475 3444 1 11 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.392 -0.195 18475 3445 1 11 . 1 1 54 54 VAL CA C 54 62.030 62.030 60.589 1.441 18475 3446 1 11 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.482 -1.155 18475 3447 1 11 . 1 1 54 54 VAL H H 54 8.161 8.161 7.990 0.171 18475 3448 1 11 . 1 1 55 55 GLN N N 55 124.703 124.703 124.768 -0.065 18475 3449 1 11 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.231 0.200 18475 3450 1 11 . 1 1 55 55 GLN CA C 55 56.109 56.109 56.888 -0.779 18475 3451 1 11 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.136 0.348 18475 3452 1 11 . 1 1 55 55 GLN H H 55 8.623 8.623 8.333 0.290 18475 3453 1 11 . 1 1 56 56 THR HA H 56 4.332 4.332 4.032 0.300 18475 3454 1 11 . 1 1 56 56 THR CA C 56 61.688 61.688 62.516 -0.828 18475 3455 1 11 . 1 1 56 56 THR CB C 56 69.969 69.969 67.926 2.043 18475 3456 1 11 . 1 1 57 57 ALA N N 57 127.534 127.534 122.001 5.533 18475 3457 1 11 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.691 -0.038 18475 3458 1 11 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.464 0.108 18475 3459 1 11 . 1 1 57 57 ALA CB C 57 18.397 18.397 20.548 -2.151 18475 3460 1 11 . 1 1 57 57 ALA H H 57 8.277 8.277 7.472 0.805 18475 3461 1 11 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.499 -0.015 18475 3462 1 11 . 1 1 58 58 PRO CA C 58 62.410 62.410 63.709 -1.299 18475 3463 1 11 . 1 1 58 58 PRO CB C 58 32.030 32.030 30.927 1.103 18475 3464 1 11 . 1 1 59 59 VAL N N 59 120.618 120.618 119.901 0.717 18475 3465 1 11 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.334 -0.267 18475 3466 1 11 . 1 1 59 59 VAL CA C 59 62.396 62.396 60.945 1.451 18475 3467 1 11 . 1 1 59 59 VAL CB C 59 32.832 32.832 32.353 0.479 18475 3468 1 11 . 1 1 59 59 VAL H H 59 8.219 8.219 7.842 0.377 18475 3469 1 11 . 1 1 60 60 ALA N N 60 127.858 127.858 125.538 2.320 18475 3470 1 11 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.340 -0.018 18475 3471 1 11 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.624 0.017 18475 3472 1 11 . 1 1 60 60 ALA CB C 60 19.368 19.368 18.324 1.044 18475 3473 1 11 . 1 1 60 60 ALA H H 60 8.399 8.399 8.134 0.265 18475 3474 1 11 . 1 1 61 61 GLU N N 61 120.215 120.215 123.845 -3.630 18475 3475 1 11 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.298 0.007 18475 3476 1 11 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.854 -0.076 18475 3477 1 11 . 1 1 61 61 GLU CB C 61 30.357 30.357 30.783 -0.426 18475 3478 1 11 . 1 1 61 61 GLU H H 61 8.405 8.405 8.174 0.231 18475 3479 1 11 . 1 1 62 62 THR N N 62 115.392 115.392 115.566 -0.174 18475 3480 1 11 . 1 1 62 62 THR HA H 62 4.327 4.327 4.010 0.317 18475 3481 1 11 . 1 1 62 62 THR CA C 62 61.984 61.984 62.728 -0.744 18475 3482 1 11 . 1 1 62 62 THR CB C 62 69.856 69.856 68.543 1.313 18475 3483 1 11 . 1 1 62 62 THR H H 62 8.166 8.166 8.237 -0.071 18475 3484 1 11 . 1 1 63 63 VAL N N 63 122.511 122.511 120.261 2.250 18475 3485 1 11 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.255 -0.208 18475 3486 1 11 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.607 0.665 18475 3487 1 11 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.360 -0.507 18475 3488 1 11 . 1 1 63 63 VAL H H 63 8.099 8.099 7.583 0.516 18475 3489 1 11 . 1 1 64 64 ASN N N 64 122.642 122.642 123.335 -0.693 18475 3490 1 11 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.724 -0.101 18475 3491 1 11 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.975 -1.075 18475 3492 1 11 . 1 1 64 64 ASN CB C 64 38.541 38.541 39.022 -0.481 18475 3493 1 11 . 1 1 64 64 ASN H H 64 8.471 8.471 8.444 0.027 18475 3494 1 11 . 1 1 65 65 LEU N N 65 123.365 123.365 114.750 8.615 18475 3495 1 11 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.290 -0.126 18475 3496 1 11 . 1 1 65 65 LEU CA C 65 56.164 56.164 53.714 2.450 18475 3497 1 11 . 1 1 65 65 LEU CB C 65 41.989 41.989 42.828 -0.840 18475 3498 1 11 . 1 1 65 65 LEU H H 65 8.226 8.226 7.975 0.251 18475 3499 1 11 . 1 1 66 66 TRP N N 66 119.270 119.270 120.012 -0.742 18475 3500 1 11 . 1 1 66 66 TRP HA H 66 4.644 4.644 5.062 -0.418 18475 3501 1 11 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.690 0.128 18475 3502 1 11 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.830 -0.685 18475 3503 1 11 . 1 1 66 66 TRP H H 66 7.886 7.886 8.089 -0.203 18475 3504 1 11 . 1 1 67 67 GLU N N 67 121.087 121.087 119.571 1.516 18475 3505 1 11 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.593 -0.369 18475 3506 1 11 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.421 0.562 18475 3507 1 11 . 1 1 67 67 GLU CB C 67 30.211 30.211 31.456 -1.245 18475 3508 1 11 . 1 1 67 67 GLU H H 67 7.982 7.982 8.518 -0.536 18475 3509 1 11 . 1 1 68 68 VAL N N 68 119.603 119.603 124.458 -4.855 18475 3510 1 11 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.325 -0.338 18475 3511 1 11 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.586 0.243 18475 3512 1 11 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.151 0.583 18475 3513 1 11 . 1 1 68 68 VAL H H 68 7.836 7.836 8.602 -0.766 18475 3514 1 11 . 1 1 69 69 GLU N N 69 122.754 122.754 120.330 2.424 18475 3515 1 11 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.448 -0.265 18475 3516 1 11 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.340 0.546 18475 3517 1 11 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.475 0.761 18475 3518 1 11 . 1 1 69 69 GLU H H 69 8.287 8.287 8.226 0.061 18475 3519 1 11 . 1 1 70 70 HIS N N 70 119.727 119.727 118.124 1.603 18475 3520 1 11 . 1 1 70 70 HIS H H 70 8.145 8.145 7.534 0.611 18475 3521 1 12 . 1 1 2 2 LYS N N 2 125.102 125.102 122.125 2.977 18475 3522 1 12 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.420 -0.630 18475 3523 1 12 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.710 0.639 18475 3524 1 12 . 1 1 2 2 LYS CB C 2 34.348 34.348 36.495 -2.147 18475 3525 1 12 . 1 1 2 2 LYS H H 2 8.576 8.576 8.083 0.493 18475 3526 1 12 . 1 1 3 3 THR N N 3 118.344 118.344 114.934 3.410 18475 3527 1 12 . 1 1 3 3 THR HA H 3 4.431 4.431 4.310 0.121 18475 3528 1 12 . 1 1 3 3 THR CA C 3 58.999 58.999 60.650 -1.651 18475 3529 1 12 . 1 1 3 3 THR CB C 3 70.310 70.310 70.462 -0.152 18475 3530 1 12 . 1 1 3 3 THR H H 3 8.411 8.411 8.579 -0.168 18475 3531 1 12 . 1 1 4 4 PHE N N 4 119.203 119.203 121.633 -2.430 18475 3532 1 12 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.768 0.497 18475 3533 1 12 . 1 1 4 4 PHE CA C 4 55.599 55.599 57.805 -2.206 18475 3534 1 12 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.648 1.873 18475 3535 1 12 . 1 1 4 4 PHE H H 4 7.738 7.738 8.215 -0.477 18475 3536 1 12 . 1 1 5 5 ALA N N 5 125.356 125.356 125.937 -0.581 18475 3537 1 12 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.728 -0.404 18475 3538 1 12 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.061 1.653 18475 3539 1 12 . 1 1 5 5 ALA CB C 5 19.937 19.937 21.020 -1.083 18475 3540 1 12 . 1 1 5 5 ALA H H 5 9.071 9.071 8.980 0.091 18475 3541 1 12 . 1 1 6 6 LEU N N 6 126.309 126.309 120.491 5.818 18475 3542 1 12 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.813 -0.305 18475 3543 1 12 . 1 1 6 6 LEU CA C 6 53.397 53.397 53.087 0.310 18475 3544 1 12 . 1 1 6 6 LEU CB C 6 42.307 42.307 45.313 -3.006 18475 3545 1 12 . 1 1 6 6 LEU H H 6 9.657 9.657 8.253 1.404 18475 3546 1 12 . 1 1 7 7 GLN N N 7 119.930 119.930 121.980 -2.050 18475 3547 1 12 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.122 0.055 18475 3548 1 12 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.670 -0.160 18475 3549 1 12 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.945 -1.007 18475 3550 1 12 . 1 1 7 7 GLN H H 7 8.647 8.647 8.787 -0.140 18475 3551 1 12 . 1 1 8 8 GLY N N 8 117.081 117.081 113.862 3.219 18475 3552 1 12 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.620 -0.275 18475 3553 1 12 . 1 1 8 8 GLY H H 8 9.812 9.812 8.942 0.870 18475 3554 1 12 . 1 1 9 9 ASP N N 9 121.569 121.569 118.788 2.781 18475 3555 1 12 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.980 -0.321 18475 3556 1 12 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.295 2.344 18475 3557 1 12 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.873 0.254 18475 3558 1 12 . 1 1 9 9 ASP H H 9 8.085 8.085 8.322 -0.237 18475 3559 1 12 . 1 1 10 10 THR N N 10 106.071 106.071 112.343 -6.272 18475 3560 1 12 . 1 1 10 10 THR HA H 10 4.984 4.984 4.293 0.691 18475 3561 1 12 . 1 1 10 10 THR CA C 10 58.309 58.309 60.993 -2.684 18475 3562 1 12 . 1 1 10 10 THR CB C 10 72.680 72.680 70.175 2.505 18475 3563 1 12 . 1 1 10 10 THR H H 10 6.920 6.920 7.355 -0.435 18475 3564 1 12 . 1 1 11 11 LEU N N 11 122.591 122.591 120.063 2.528 18475 3565 1 12 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.928 0.203 18475 3566 1 12 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.484 -0.157 18475 3567 1 12 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.170 0.252 18475 3568 1 12 . 1 1 11 11 LEU H H 11 9.621 9.621 8.463 1.158 18475 3569 1 12 . 1 1 12 12 ASP N N 12 118.388 118.388 119.307 -0.919 18475 3570 1 12 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.336 -0.195 18475 3571 1 12 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.239 0.570 18475 3572 1 12 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.834 -0.368 18475 3573 1 12 . 1 1 12 12 ASP H H 12 8.561 8.561 7.945 0.616 18475 3574 1 12 . 1 1 13 13 ALA N N 13 121.142 121.142 120.874 0.268 18475 3575 1 12 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.328 -0.307 18475 3576 1 12 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.246 0.991 18475 3577 1 12 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.467 -0.958 18475 3578 1 12 . 1 1 13 13 ALA H H 13 7.870 7.870 7.627 0.243 18475 3579 1 12 . 1 1 14 14 ILE N N 14 119.983 119.983 119.570 0.413 18475 3580 1 12 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.653 -0.033 18475 3581 1 12 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.634 0.432 18475 3582 1 12 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.803 0.820 18475 3583 1 12 . 1 1 14 14 ILE H H 14 8.043 8.043 8.669 -0.626 18475 3584 1 12 . 1 1 15 15 CYS N N 15 117.727 117.727 116.634 1.093 18475 3585 1 12 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.463 0.014 18475 3586 1 12 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.019 1.402 18475 3587 1 12 . 1 1 15 15 CYS CB C 15 26.368 26.368 25.979 0.390 18475 3588 1 12 . 1 1 15 15 CYS H H 15 8.477 8.477 8.582 -0.105 18475 3589 1 12 . 1 1 16 16 VAL N N 16 120.808 120.808 119.764 1.044 18475 3590 1 12 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.028 -0.710 18475 3591 1 12 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.642 1.956 18475 3592 1 12 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.718 -0.335 18475 3593 1 12 . 1 1 16 16 VAL H H 16 8.477 8.477 8.119 0.358 18475 3594 1 12 . 1 1 17 17 ARG N N 17 119.589 119.589 119.455 0.134 18475 3595 1 12 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.222 -0.286 18475 3596 1 12 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.672 1.512 18475 3597 1 12 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.145 0.536 18475 3598 1 12 . 1 1 17 17 ARG H H 17 7.963 7.963 8.103 -0.140 18475 3599 1 12 . 1 1 18 18 TYR N N 18 113.897 113.897 117.302 -3.405 18475 3600 1 12 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.314 0.067 18475 3601 1 12 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.332 0.779 18475 3602 1 12 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.746 0.265 18475 3603 1 12 . 1 1 18 18 TYR H H 18 7.833 7.833 8.149 -0.316 18475 3604 1 12 . 1 1 19 19 TYR N N 19 115.270 115.270 113.697 1.573 18475 3605 1 12 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.560 0.185 18475 3606 1 12 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.516 -0.176 18475 3607 1 12 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.797 0.093 18475 3608 1 12 . 1 1 19 19 TYR H H 19 8.936 8.936 7.795 1.141 18475 3609 1 12 . 1 1 20 20 GLY N N 20 108.099 108.099 105.707 2.392 18475 3610 1 12 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.150 0.650 18475 3611 1 12 . 1 1 20 20 GLY H H 20 7.921 7.921 8.467 -0.546 18475 3612 1 12 . 1 1 21 21 ARG N N 21 115.116 115.116 117.623 -2.507 18475 3613 1 12 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.688 0.045 18475 3614 1 12 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.518 0.202 18475 3615 1 12 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.584 -0.319 18475 3616 1 12 . 1 1 21 21 ARG H H 21 7.495 7.495 7.856 -0.361 18475 3617 1 12 . 1 1 22 22 THR N N 22 106.239 106.239 109.692 -3.453 18475 3618 1 12 . 1 1 22 22 THR HA H 22 4.320 4.320 4.424 -0.104 18475 3619 1 12 . 1 1 22 22 THR CA C 22 62.284 62.284 62.650 -0.366 18475 3620 1 12 . 1 1 22 22 THR CB C 22 69.292 69.292 70.092 -0.800 18475 3621 1 12 . 1 1 22 22 THR H H 22 8.162 8.162 8.335 -0.173 18475 3622 1 12 . 1 1 23 23 GLU N N 23 126.964 126.964 122.843 4.121 18475 3623 1 12 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.123 0.042 18475 3624 1 12 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.263 1.489 18475 3625 1 12 . 1 1 23 23 GLU CB C 23 28.980 28.980 29.020 -0.040 18475 3626 1 12 . 1 1 23 23 GLU H H 23 8.543 8.543 8.177 0.366 18475 3627 1 12 . 1 1 24 24 GLY N N 24 115.618 115.618 114.380 1.238 18475 3628 1 12 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.862 0.152 18475 3629 1 12 . 1 1 24 24 GLY H H 24 9.112 9.112 8.548 0.564 18475 3630 1 12 . 1 1 25 25 VAL N N 25 118.084 118.084 121.173 -3.089 18475 3631 1 12 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.989 0.015 18475 3632 1 12 . 1 1 25 25 VAL CA C 25 63.479 63.479 62.971 0.508 18475 3633 1 12 . 1 1 25 25 VAL CB C 25 33.883 33.883 31.724 2.159 18475 3634 1 12 . 1 1 25 25 VAL H H 25 7.860 7.860 7.243 0.617 18475 3635 1 12 . 1 1 26 26 VAL N N 26 121.094 121.094 117.135 3.959 18475 3636 1 12 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.715 0.042 18475 3637 1 12 . 1 1 26 26 VAL CA C 26 66.861 66.861 66.349 0.512 18475 3638 1 12 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.752 1.138 18475 3639 1 12 . 1 1 26 26 VAL H H 26 8.101 8.101 7.849 0.252 18475 3640 1 12 . 1 1 27 27 GLU N N 27 119.186 119.186 118.987 0.199 18475 3641 1 12 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.156 -0.174 18475 3642 1 12 . 1 1 27 27 GLU CA C 27 60.660 60.660 58.990 1.669 18475 3643 1 12 . 1 1 27 27 GLU CB C 27 28.456 28.456 28.993 -0.537 18475 3644 1 12 . 1 1 27 27 GLU H H 27 8.910 8.910 8.789 0.121 18475 3645 1 12 . 1 1 28 28 THR N N 28 117.846 117.846 117.154 0.692 18475 3646 1 12 . 1 1 28 28 THR HA H 28 3.980 3.980 4.028 -0.048 18475 3647 1 12 . 1 1 28 28 THR CA C 28 66.119 66.119 66.234 -0.115 18475 3648 1 12 . 1 1 28 28 THR CB C 28 68.459 68.459 68.625 -0.166 18475 3649 1 12 . 1 1 28 28 THR H H 28 7.502 7.502 7.673 -0.171 18475 3650 1 12 . 1 1 29 29 VAL N N 29 123.919 123.919 121.702 2.217 18475 3651 1 12 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.639 -0.212 18475 3652 1 12 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.411 0.988 18475 3653 1 12 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.840 0.725 18475 3654 1 12 . 1 1 29 29 VAL H H 29 8.025 8.025 7.639 0.386 18475 3655 1 12 . 1 1 30 30 LEU N N 30 122.820 122.820 120.127 2.693 18475 3656 1 12 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.069 -0.094 18475 3657 1 12 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.625 1.327 18475 3658 1 12 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.554 -0.094 18475 3659 1 12 . 1 1 30 30 LEU H H 30 8.971 8.971 7.518 1.453 18475 3660 1 12 . 1 1 31 31 ALA N N 31 120.021 120.021 120.166 -0.145 18475 3661 1 12 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.126 -0.028 18475 3662 1 12 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.407 0.164 18475 3663 1 12 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.285 -0.370 18475 3664 1 12 . 1 1 31 31 ALA H H 31 7.652 7.652 7.797 -0.145 18475 3665 1 12 . 1 1 32 32 ALA N N 32 117.285 117.285 119.755 -2.470 18475 3666 1 12 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.138 0.256 18475 3667 1 12 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.143 -1.119 18475 3668 1 12 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.858 -0.491 18475 3669 1 12 . 1 1 32 32 ALA H H 32 7.278 7.278 7.619 -0.341 18475 3670 1 12 . 1 1 33 33 ASN N N 33 116.716 116.716 117.086 -0.370 18475 3671 1 12 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.125 0.061 18475 3672 1 12 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.898 0.331 18475 3673 1 12 . 1 1 33 33 ASN CB C 33 42.413 42.413 39.737 2.676 18475 3674 1 12 . 1 1 33 33 ASN H H 33 7.536 7.536 8.395 -0.859 18475 3675 1 12 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.626 -0.139 18475 3676 1 12 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.819 0.941 18475 3677 1 12 . 1 1 34 34 PRO CB C 34 31.414 31.414 31.973 -0.558 18475 3678 1 12 . 1 1 35 35 GLY N N 35 110.626 110.626 111.712 -1.086 18475 3679 1 12 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.181 0.459 18475 3680 1 12 . 1 1 35 35 GLY H H 35 8.911 8.911 8.676 0.235 18475 3681 1 12 . 1 1 36 36 LEU N N 36 121.614 121.614 123.586 -1.972 18475 3682 1 12 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.219 0.028 18475 3683 1 12 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.432 -0.708 18475 3684 1 12 . 1 1 36 36 LEU CB C 36 41.981 41.981 40.953 1.028 18475 3685 1 12 . 1 1 36 36 LEU H H 36 7.974 7.974 7.560 0.414 18475 3686 1 12 . 1 1 37 37 ALA N N 37 120.690 120.690 118.778 1.912 18475 3687 1 12 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.050 0.093 18475 3688 1 12 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.133 0.309 18475 3689 1 12 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.482 0.516 18475 3690 1 12 . 1 1 37 37 ALA H H 37 8.215 8.215 8.529 -0.314 18475 3691 1 12 . 1 1 38 38 GLU N N 38 115.505 115.505 116.912 -1.407 18475 3692 1 12 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.281 0.010 18475 3693 1 12 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.405 0.583 18475 3694 1 12 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.853 -0.014 18475 3695 1 12 . 1 1 38 38 GLU H H 38 7.982 7.982 7.483 0.499 18475 3696 1 12 . 1 1 39 39 LEU N N 39 119.888 119.888 120.223 -0.335 18475 3697 1 12 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.091 0.178 18475 3698 1 12 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.909 -0.969 18475 3699 1 12 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.042 0.266 18475 3700 1 12 . 1 1 39 39 LEU H H 39 7.760 7.760 7.827 -0.067 18475 3701 1 12 . 1 1 40 40 GLY N N 40 105.788 105.788 104.743 1.045 18475 3702 1 12 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.361 0.089 18475 3703 1 12 . 1 1 40 40 GLY H H 40 7.863 7.863 7.558 0.305 18475 3704 1 12 . 1 1 41 41 ALA N N 41 120.963 120.963 122.013 -1.050 18475 3705 1 12 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.421 -0.240 18475 3706 1 12 . 1 1 41 41 ALA CA C 41 54.089 54.089 53.289 0.799 18475 3707 1 12 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.237 0.184 18475 3708 1 12 . 1 1 41 41 ALA H H 41 7.956 7.956 8.116 -0.160 18475 3709 1 12 . 1 1 42 42 VAL N N 42 116.969 116.969 119.662 -2.693 18475 3710 1 12 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.225 -0.019 18475 3711 1 12 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.335 0.323 18475 3712 1 12 . 1 1 42 42 VAL CB C 42 32.330 32.330 33.136 -0.805 18475 3713 1 12 . 1 1 42 42 VAL H H 42 7.848 7.848 7.824 0.024 18475 3714 1 12 . 1 1 43 43 LEU N N 43 129.206 129.206 128.843 0.363 18475 3715 1 12 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.404 0.067 18475 3716 1 12 . 1 1 43 43 LEU CA C 43 52.410 52.410 54.023 -1.613 18475 3717 1 12 . 1 1 43 43 LEU CB C 43 42.204 42.204 40.965 1.239 18475 3718 1 12 . 1 1 43 43 LEU H H 43 8.764 8.764 8.418 0.346 18475 3719 1 12 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.529 -0.099 18475 3720 1 12 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.886 -0.460 18475 3721 1 12 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.575 -0.718 18475 3722 1 12 . 1 1 45 45 HIS N N 45 126.707 126.707 113.679 13.028 18475 3723 1 12 . 1 1 45 45 HIS HA H 45 4.017 4.017 5.231 -1.214 18475 3724 1 12 . 1 1 45 45 HIS CA C 45 57.747 57.747 54.388 3.359 18475 3725 1 12 . 1 1 45 45 HIS CB C 45 31.007 31.007 29.509 1.498 18475 3726 1 12 . 1 1 45 45 HIS H H 45 8.880 8.880 7.860 1.020 18475 3727 1 12 . 1 1 46 46 GLY N N 46 115.148 115.148 111.945 3.203 18475 3728 1 12 . 1 1 46 46 GLY CA C 46 45.091 45.091 45.681 -0.590 18475 3729 1 12 . 1 1 46 46 GLY H H 46 9.143 9.143 8.520 0.623 18475 3730 1 12 . 1 1 47 47 THR N N 47 117.455 117.455 119.416 -1.961 18475 3731 1 12 . 1 1 47 47 THR HA H 47 3.919 3.919 4.296 -0.377 18475 3732 1 12 . 1 1 47 47 THR CA C 47 65.329 65.329 62.794 2.535 18475 3733 1 12 . 1 1 47 47 THR CB C 47 70.171 70.171 69.506 0.665 18475 3734 1 12 . 1 1 47 47 THR H H 47 7.680 7.680 7.997 -0.317 18475 3735 1 12 . 1 1 48 48 ALA N N 48 131.425 131.425 130.541 0.884 18475 3736 1 12 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.602 -0.134 18475 3737 1 12 . 1 1 48 48 ALA CA C 48 52.054 52.054 52.371 -0.317 18475 3738 1 12 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.631 -0.095 18475 3739 1 12 . 1 1 48 48 ALA H H 48 8.777 8.777 8.591 0.186 18475 3740 1 12 . 1 1 49 49 VAL N N 49 122.720 122.720 119.730 2.990 18475 3741 1 12 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.332 -0.374 18475 3742 1 12 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.038 0.385 18475 3743 1 12 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.912 -0.938 18475 3744 1 12 . 1 1 49 49 VAL H H 49 8.564 8.564 7.851 0.713 18475 3745 1 12 . 1 1 50 50 GLU N N 50 129.105 129.105 126.558 2.547 18475 3746 1 12 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.443 -0.115 18475 3747 1 12 . 1 1 50 50 GLU CA C 50 55.869 55.869 55.572 0.297 18475 3748 1 12 . 1 1 50 50 GLU CB C 50 29.777 29.777 31.476 -1.698 18475 3749 1 12 . 1 1 50 50 GLU H H 50 9.632 9.632 8.260 1.372 18475 3750 1 12 . 1 1 51 51 LEU N N 51 126.085 126.085 126.223 -0.138 18475 3751 1 12 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.780 0.164 18475 3752 1 12 . 1 1 51 51 LEU CA C 51 50.984 50.984 50.718 0.266 18475 3753 1 12 . 1 1 51 51 LEU CB C 51 40.919 40.919 40.965 -0.046 18475 3754 1 12 . 1 1 51 51 LEU H H 51 8.474 8.474 8.492 -0.018 18475 3755 1 12 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.546 -0.054 18475 3756 1 12 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.637 -0.507 18475 3757 1 12 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.806 -0.218 18475 3758 1 12 . 1 1 53 53 ASP N N 53 120.950 120.950 117.080 3.870 18475 3759 1 12 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.308 0.367 18475 3760 1 12 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.282 -0.162 18475 3761 1 12 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.099 0.391 18475 3762 1 12 . 1 1 53 53 ASP H H 53 8.737 8.737 8.620 0.117 18475 3763 1 12 . 1 1 54 54 VAL N N 54 121.459 121.459 118.034 3.425 18475 3764 1 12 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.347 -0.150 18475 3765 1 12 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.493 0.537 18475 3766 1 12 . 1 1 54 54 VAL CB C 54 33.327 33.327 33.713 -0.386 18475 3767 1 12 . 1 1 54 54 VAL H H 54 8.161 8.161 7.851 0.310 18475 3768 1 12 . 1 1 55 55 GLN N N 55 124.703 124.703 122.585 2.118 18475 3769 1 12 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.061 0.370 18475 3770 1 12 . 1 1 55 55 GLN CA C 55 56.109 56.109 56.211 -0.102 18475 3771 1 12 . 1 1 55 55 GLN CB C 55 29.484 29.484 28.043 1.441 18475 3772 1 12 . 1 1 55 55 GLN H H 55 8.623 8.623 8.625 -0.002 18475 3773 1 12 . 1 1 56 56 THR HA H 56 4.332 4.332 4.142 0.190 18475 3774 1 12 . 1 1 56 56 THR CA C 56 61.688 61.688 63.356 -1.668 18475 3775 1 12 . 1 1 56 56 THR CB C 56 69.969 69.969 69.458 0.511 18475 3776 1 12 . 1 1 57 57 ALA N N 57 127.534 127.534 128.720 -1.186 18475 3777 1 12 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.661 -0.008 18475 3778 1 12 . 1 1 57 57 ALA CA C 57 50.572 50.572 51.067 -0.495 18475 3779 1 12 . 1 1 57 57 ALA CB C 57 18.397 18.397 19.994 -1.597 18475 3780 1 12 . 1 1 57 57 ALA H H 57 8.277 8.277 8.097 0.180 18475 3781 1 12 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.526 -0.042 18475 3782 1 12 . 1 1 58 58 PRO CA C 58 62.410 62.410 63.040 -0.630 18475 3783 1 12 . 1 1 58 58 PRO CB C 58 32.030 32.030 30.041 1.989 18475 3784 1 12 . 1 1 59 59 VAL N N 59 120.618 120.618 121.134 -0.516 18475 3785 1 12 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.196 -0.129 18475 3786 1 12 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.775 0.621 18475 3787 1 12 . 1 1 59 59 VAL CB C 59 32.832 32.832 33.974 -1.142 18475 3788 1 12 . 1 1 59 59 VAL H H 59 8.219 8.219 7.964 0.255 18475 3789 1 12 . 1 1 60 60 ALA N N 60 127.858 127.858 126.807 1.051 18475 3790 1 12 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.106 0.216 18475 3791 1 12 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.750 -0.109 18475 3792 1 12 . 1 1 60 60 ALA CB C 60 19.368 19.368 17.994 1.374 18475 3793 1 12 . 1 1 60 60 ALA H H 60 8.399 8.399 8.393 0.006 18475 3794 1 12 . 1 1 61 61 GLU N N 61 120.215 120.215 119.506 0.709 18475 3795 1 12 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.189 0.116 18475 3796 1 12 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.350 0.428 18475 3797 1 12 . 1 1 61 61 GLU CB C 61 30.357 30.357 29.931 0.426 18475 3798 1 12 . 1 1 61 61 GLU H H 61 8.405 8.405 8.069 0.336 18475 3799 1 12 . 1 1 62 62 THR N N 62 115.392 115.392 110.528 4.864 18475 3800 1 12 . 1 1 62 62 THR HA H 62 4.327 4.327 3.900 0.427 18475 3801 1 12 . 1 1 62 62 THR CA C 62 61.984 61.984 63.577 -1.593 18475 3802 1 12 . 1 1 62 62 THR CB C 62 69.856 69.856 67.647 2.209 18475 3803 1 12 . 1 1 62 62 THR H H 62 8.166 8.166 8.443 -0.277 18475 3804 1 12 . 1 1 63 63 VAL N N 63 122.511 122.511 120.539 1.972 18475 3805 1 12 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.135 -0.088 18475 3806 1 12 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.322 0.950 18475 3807 1 12 . 1 1 63 63 VAL CB C 63 32.853 32.853 32.919 -0.066 18475 3808 1 12 . 1 1 63 63 VAL H H 63 8.099 8.099 7.819 0.280 18475 3809 1 12 . 1 1 64 64 ASN N N 64 122.642 122.642 125.456 -2.814 18475 3810 1 12 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.517 0.106 18475 3811 1 12 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.436 -0.535 18475 3812 1 12 . 1 1 64 64 ASN CB C 64 38.541 38.541 39.103 -0.562 18475 3813 1 12 . 1 1 64 64 ASN H H 64 8.471 8.471 8.588 -0.117 18475 3814 1 12 . 1 1 65 65 LEU N N 65 123.365 123.365 115.600 7.765 18475 3815 1 12 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.424 -0.260 18475 3816 1 12 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.524 1.640 18475 3817 1 12 . 1 1 65 65 LEU CB C 65 41.989 41.989 41.166 0.823 18475 3818 1 12 . 1 1 65 65 LEU H H 65 8.226 8.226 7.511 0.715 18475 3819 1 12 . 1 1 66 66 TRP N N 66 119.270 119.270 121.765 -2.495 18475 3820 1 12 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.773 -0.129 18475 3821 1 12 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.464 1.354 18475 3822 1 12 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.994 -0.849 18475 3823 1 12 . 1 1 66 66 TRP H H 66 7.886 7.886 7.422 0.464 18475 3824 1 12 . 1 1 67 67 GLU N N 67 121.087 121.087 123.713 -2.626 18475 3825 1 12 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.543 -0.319 18475 3826 1 12 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.151 0.833 18475 3827 1 12 . 1 1 67 67 GLU CB C 67 30.211 30.211 29.249 0.962 18475 3828 1 12 . 1 1 67 67 GLU H H 67 7.982 7.982 8.767 -0.785 18475 3829 1 12 . 1 1 68 68 VAL N N 68 119.603 119.603 121.267 -1.664 18475 3830 1 12 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.541 -0.554 18475 3831 1 12 . 1 1 68 68 VAL CA C 68 62.829 62.829 61.276 1.553 18475 3832 1 12 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.422 0.312 18475 3833 1 12 . 1 1 68 68 VAL H H 68 7.836 7.836 8.390 -0.554 18475 3834 1 12 . 1 1 69 69 GLU N N 69 122.754 122.754 121.788 0.966 18475 3835 1 12 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.553 -0.370 18475 3836 1 12 . 1 1 69 69 GLU CA C 69 56.886 56.886 55.538 1.349 18475 3837 1 12 . 1 1 69 69 GLU CB C 69 30.236 30.236 30.556 -0.320 18475 3838 1 12 . 1 1 69 69 GLU H H 69 8.287 8.287 8.023 0.264 18475 3839 1 12 . 1 1 70 70 HIS N N 70 119.727 119.727 124.129 -4.402 18475 3840 1 12 . 1 1 70 70 HIS H H 70 8.145 8.145 8.679 -0.534 18475 3841 1 13 . 1 1 2 2 LYS N N 2 125.102 125.102 119.131 5.971 18475 3842 1 13 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.217 -0.427 18475 3843 1 13 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.867 0.482 18475 3844 1 13 . 1 1 2 2 LYS CB C 2 34.348 34.348 34.939 -0.591 18475 3845 1 13 . 1 1 2 2 LYS H H 2 8.576 8.576 7.685 0.891 18475 3846 1 13 . 1 1 3 3 THR N N 3 118.344 118.344 115.171 3.173 18475 3847 1 13 . 1 1 3 3 THR HA H 3 4.431 4.431 4.299 0.132 18475 3848 1 13 . 1 1 3 3 THR CA C 3 58.999 58.999 59.897 -0.898 18475 3849 1 13 . 1 1 3 3 THR CB C 3 70.310 70.310 70.222 0.088 18475 3850 1 13 . 1 1 3 3 THR H H 3 8.411 8.411 8.158 0.253 18475 3851 1 13 . 1 1 4 4 PHE N N 4 119.203 119.203 120.682 -1.479 18475 3852 1 13 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.855 0.410 18475 3853 1 13 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.297 -0.698 18475 3854 1 13 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.755 1.766 18475 3855 1 13 . 1 1 4 4 PHE H H 4 7.738 7.738 8.001 -0.263 18475 3856 1 13 . 1 1 5 5 ALA N N 5 125.356 125.356 124.953 0.403 18475 3857 1 13 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.894 -0.570 18475 3858 1 13 . 1 1 5 5 ALA CA C 5 52.714 52.714 50.853 1.861 18475 3859 1 13 . 1 1 5 5 ALA CB C 5 19.937 19.937 20.209 -0.272 18475 3860 1 13 . 1 1 5 5 ALA H H 5 9.071 9.071 8.393 0.678 18475 3861 1 13 . 1 1 6 6 LEU N N 6 126.309 126.309 124.772 1.537 18475 3862 1 13 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.638 -0.130 18475 3863 1 13 . 1 1 6 6 LEU CA C 6 53.397 53.397 53.457 -0.060 18475 3864 1 13 . 1 1 6 6 LEU CB C 6 42.307 42.307 44.171 -1.864 18475 3865 1 13 . 1 1 6 6 LEU H H 6 9.657 9.657 8.535 1.122 18475 3866 1 13 . 1 1 7 7 GLN N N 7 119.930 119.930 120.886 -0.956 18475 3867 1 13 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.073 0.104 18475 3868 1 13 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.878 -0.368 18475 3869 1 13 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.594 -0.656 18475 3870 1 13 . 1 1 7 7 GLN H H 7 8.647 8.647 8.717 -0.070 18475 3871 1 13 . 1 1 8 8 GLY N N 8 117.081 117.081 114.576 2.505 18475 3872 1 13 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.672 -0.327 18475 3873 1 13 . 1 1 8 8 GLY H H 8 9.812 9.812 9.090 0.722 18475 3874 1 13 . 1 1 9 9 ASP N N 9 121.569 121.569 119.078 2.491 18475 3875 1 13 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.971 -0.312 18475 3876 1 13 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.419 2.220 18475 3877 1 13 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.722 0.405 18475 3878 1 13 . 1 1 9 9 ASP H H 9 8.085 8.085 8.331 -0.246 18475 3879 1 13 . 1 1 10 10 THR N N 10 106.071 106.071 112.824 -6.753 18475 3880 1 13 . 1 1 10 10 THR HA H 10 4.984 4.984 4.302 0.682 18475 3881 1 13 . 1 1 10 10 THR CA C 10 58.309 58.309 61.370 -3.061 18475 3882 1 13 . 1 1 10 10 THR CB C 10 72.680 72.680 69.910 2.770 18475 3883 1 13 . 1 1 10 10 THR H H 10 6.920 6.920 7.429 -0.509 18475 3884 1 13 . 1 1 11 11 LEU N N 11 122.591 122.591 120.890 1.701 18475 3885 1 13 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.972 0.159 18475 3886 1 13 . 1 1 11 11 LEU CA C 11 58.327 58.327 59.194 -0.867 18475 3887 1 13 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.481 -0.059 18475 3888 1 13 . 1 1 11 11 LEU H H 11 9.621 9.621 8.460 1.161 18475 3889 1 13 . 1 1 12 12 ASP N N 12 118.388 118.388 118.676 -0.288 18475 3890 1 13 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.341 -0.200 18475 3891 1 13 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.288 0.521 18475 3892 1 13 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.806 -0.341 18475 3893 1 13 . 1 1 12 12 ASP H H 12 8.561 8.561 7.965 0.596 18475 3894 1 13 . 1 1 13 13 ALA N N 13 121.142 121.142 121.628 -0.486 18475 3895 1 13 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.304 -0.283 18475 3896 1 13 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.420 0.817 18475 3897 1 13 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.185 -0.676 18475 3898 1 13 . 1 1 13 13 ALA H H 13 7.870 7.870 7.615 0.255 18475 3899 1 13 . 1 1 14 14 ILE N N 14 119.983 119.983 119.666 0.317 18475 3900 1 13 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.631 -0.011 18475 3901 1 13 . 1 1 14 14 ILE CA C 14 66.066 66.066 66.029 0.037 18475 3902 1 13 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.858 0.765 18475 3903 1 13 . 1 1 14 14 ILE H H 14 8.043 8.043 8.497 -0.454 18475 3904 1 13 . 1 1 15 15 CYS N N 15 117.727 117.727 116.614 1.113 18475 3905 1 13 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.239 0.238 18475 3906 1 13 . 1 1 15 15 CYS CA C 15 65.421 65.421 65.218 0.203 18475 3907 1 13 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.976 -0.608 18475 3908 1 13 . 1 1 15 15 CYS H H 15 8.477 8.477 8.629 -0.152 18475 3909 1 13 . 1 1 16 16 VAL N N 16 120.808 120.808 118.274 2.534 18475 3910 1 13 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.925 -0.607 18475 3911 1 13 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.704 1.894 18475 3912 1 13 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.275 0.108 18475 3913 1 13 . 1 1 16 16 VAL H H 16 8.477 8.477 7.789 0.688 18475 3914 1 13 . 1 1 17 17 ARG N N 17 119.589 119.589 119.607 -0.018 18475 3915 1 13 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.124 -0.188 18475 3916 1 13 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.774 1.410 18475 3917 1 13 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.481 0.200 18475 3918 1 13 . 1 1 17 17 ARG H H 17 7.963 7.963 7.820 0.143 18475 3919 1 13 . 1 1 18 18 TYR N N 18 113.897 113.897 116.921 -3.024 18475 3920 1 13 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.412 -0.031 18475 3921 1 13 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.049 1.062 18475 3922 1 13 . 1 1 18 18 TYR CB C 18 40.011 40.011 38.684 1.327 18475 3923 1 13 . 1 1 18 18 TYR H H 18 7.833 7.833 8.307 -0.474 18475 3924 1 13 . 1 1 19 19 TYR N N 19 115.270 115.270 117.131 -1.861 18475 3925 1 13 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.395 0.350 18475 3926 1 13 . 1 1 19 19 TYR CA C 19 58.340 58.340 60.024 -1.684 18475 3927 1 13 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.148 0.742 18475 3928 1 13 . 1 1 19 19 TYR H H 19 8.936 8.936 7.710 1.226 18475 3929 1 13 . 1 1 20 20 GLY N N 20 108.099 108.099 105.716 2.383 18475 3930 1 13 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.232 0.568 18475 3931 1 13 . 1 1 20 20 GLY H H 20 7.921 7.921 8.459 -0.538 18475 3932 1 13 . 1 1 21 21 ARG N N 21 115.116 115.116 116.823 -1.707 18475 3933 1 13 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.679 0.054 18475 3934 1 13 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.446 0.274 18475 3935 1 13 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.044 0.221 18475 3936 1 13 . 1 1 21 21 ARG H H 21 7.495 7.495 7.583 -0.088 18475 3937 1 13 . 1 1 22 22 THR N N 22 106.239 106.239 108.335 -2.096 18475 3938 1 13 . 1 1 22 22 THR HA H 22 4.320 4.320 4.453 -0.133 18475 3939 1 13 . 1 1 22 22 THR CA C 22 62.284 62.284 61.570 0.714 18475 3940 1 13 . 1 1 22 22 THR CB C 22 69.292 69.292 70.069 -0.777 18475 3941 1 13 . 1 1 22 22 THR H H 22 8.162 8.162 8.210 -0.048 18475 3942 1 13 . 1 1 23 23 GLU N N 23 126.964 126.964 122.609 4.355 18475 3943 1 13 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.197 -0.032 18475 3944 1 13 . 1 1 23 23 GLU CA C 23 58.752 58.752 56.813 1.939 18475 3945 1 13 . 1 1 23 23 GLU CB C 23 28.980 28.980 29.337 -0.357 18475 3946 1 13 . 1 1 23 23 GLU H H 23 8.543 8.543 8.248 0.295 18475 3947 1 13 . 1 1 24 24 GLY N N 24 115.618 115.618 113.924 1.694 18475 3948 1 13 . 1 1 24 24 GLY CA C 24 46.015 46.015 46.292 -0.277 18475 3949 1 13 . 1 1 24 24 GLY H H 24 9.112 9.112 8.711 0.401 18475 3950 1 13 . 1 1 25 25 VAL N N 25 118.084 118.084 119.469 -1.385 18475 3951 1 13 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.951 0.053 18475 3952 1 13 . 1 1 25 25 VAL CA C 25 63.479 63.479 62.506 0.973 18475 3953 1 13 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.248 1.635 18475 3954 1 13 . 1 1 25 25 VAL H H 25 7.860 7.860 7.304 0.556 18475 3955 1 13 . 1 1 26 26 VAL N N 26 121.094 121.094 116.683 4.411 18475 3956 1 13 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.684 0.073 18475 3957 1 13 . 1 1 26 26 VAL CA C 26 66.861 66.861 66.132 0.729 18475 3958 1 13 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.475 0.415 18475 3959 1 13 . 1 1 26 26 VAL H H 26 8.101 8.101 7.183 0.918 18475 3960 1 13 . 1 1 27 27 GLU N N 27 119.186 119.186 118.423 0.763 18475 3961 1 13 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.096 -0.114 18475 3962 1 13 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.131 1.529 18475 3963 1 13 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.176 -0.720 18475 3964 1 13 . 1 1 27 27 GLU H H 27 8.910 8.910 8.740 0.170 18475 3965 1 13 . 1 1 28 28 THR N N 28 117.846 117.846 117.149 0.697 18475 3966 1 13 . 1 1 28 28 THR HA H 28 3.980 3.980 4.117 -0.137 18475 3967 1 13 . 1 1 28 28 THR CA C 28 66.119 66.119 66.311 -0.192 18475 3968 1 13 . 1 1 28 28 THR CB C 28 68.459 68.459 68.960 -0.501 18475 3969 1 13 . 1 1 28 28 THR H H 28 7.502 7.502 7.800 -0.298 18475 3970 1 13 . 1 1 29 29 VAL N N 29 123.919 123.919 121.918 2.001 18475 3971 1 13 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.653 -0.226 18475 3972 1 13 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.316 1.083 18475 3973 1 13 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.736 0.829 18475 3974 1 13 . 1 1 29 29 VAL H H 29 8.025 8.025 7.785 0.240 18475 3975 1 13 . 1 1 30 30 LEU N N 30 122.820 122.820 118.233 4.587 18475 3976 1 13 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.960 0.015 18475 3977 1 13 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.770 1.182 18475 3978 1 13 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.465 -0.005 18475 3979 1 13 . 1 1 30 30 LEU H H 30 8.971 8.971 7.731 1.240 18475 3980 1 13 . 1 1 31 31 ALA N N 31 120.021 120.021 119.387 0.634 18475 3981 1 13 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.125 -0.027 18475 3982 1 13 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.266 0.305 18475 3983 1 13 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.340 -0.425 18475 3984 1 13 . 1 1 31 31 ALA H H 31 7.652 7.652 7.519 0.133 18475 3985 1 13 . 1 1 32 32 ALA N N 32 117.285 117.285 120.671 -3.386 18475 3986 1 13 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.221 0.173 18475 3987 1 13 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.237 -1.213 18475 3988 1 13 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.887 -0.520 18475 3989 1 13 . 1 1 32 32 ALA H H 32 7.278 7.278 7.703 -0.425 18475 3990 1 13 . 1 1 33 33 ASN N N 33 116.716 116.716 117.207 -0.491 18475 3991 1 13 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.149 0.037 18475 3992 1 13 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.830 0.400 18475 3993 1 13 . 1 1 33 33 ASN CB C 33 42.413 42.413 39.338 3.075 18475 3994 1 13 . 1 1 33 33 ASN H H 33 7.536 7.536 8.234 -0.698 18475 3995 1 13 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.520 -0.033 18475 3996 1 13 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.859 0.901 18475 3997 1 13 . 1 1 34 34 PRO CB C 34 31.414 31.414 31.538 -0.124 18475 3998 1 13 . 1 1 35 35 GLY N N 35 110.626 110.626 112.351 -1.725 18475 3999 1 13 . 1 1 35 35 GLY CA C 35 45.640 45.640 44.970 0.670 18475 4000 1 13 . 1 1 35 35 GLY H H 35 8.911 8.911 8.541 0.370 18475 4001 1 13 . 1 1 36 36 LEU N N 36 121.614 121.614 122.807 -1.193 18475 4002 1 13 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.333 -0.086 18475 4003 1 13 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.152 -0.428 18475 4004 1 13 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.422 0.559 18475 4005 1 13 . 1 1 36 36 LEU H H 36 7.974 7.974 7.552 0.422 18475 4006 1 13 . 1 1 37 37 ALA N N 37 120.690 120.690 121.639 -0.949 18475 4007 1 13 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.024 0.119 18475 4008 1 13 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.772 -0.330 18475 4009 1 13 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.411 0.587 18475 4010 1 13 . 1 1 37 37 ALA H H 37 8.215 8.215 8.487 -0.272 18475 4011 1 13 . 1 1 38 38 GLU N N 38 115.505 115.505 116.944 -1.439 18475 4012 1 13 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.123 0.168 18475 4013 1 13 . 1 1 38 38 GLU CA C 38 56.988 56.988 57.936 -0.948 18475 4014 1 13 . 1 1 38 38 GLU CB C 38 29.839 29.839 28.903 0.936 18475 4015 1 13 . 1 1 38 38 GLU H H 38 7.982 7.982 7.950 0.032 18475 4016 1 13 . 1 1 39 39 LEU N N 39 119.888 119.888 119.068 0.820 18475 4017 1 13 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.064 0.205 18475 4018 1 13 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.975 -1.035 18475 4019 1 13 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.013 0.295 18475 4020 1 13 . 1 1 39 39 LEU H H 39 7.760 7.760 7.837 -0.077 18475 4021 1 13 . 1 1 40 40 GLY N N 40 105.788 105.788 103.794 1.994 18475 4022 1 13 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.813 -0.363 18475 4023 1 13 . 1 1 40 40 GLY H H 40 7.863 7.863 7.535 0.328 18475 4024 1 13 . 1 1 41 41 ALA N N 41 120.963 120.963 122.872 -1.909 18475 4025 1 13 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.709 -0.528 18475 4026 1 13 . 1 1 41 41 ALA CA C 41 54.089 54.089 52.701 1.388 18475 4027 1 13 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.718 -0.297 18475 4028 1 13 . 1 1 41 41 ALA H H 41 7.956 7.956 8.297 -0.342 18475 4029 1 13 . 1 1 42 42 VAL N N 42 116.969 116.969 118.635 -1.666 18475 4030 1 13 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.350 -0.144 18475 4031 1 13 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.342 0.316 18475 4032 1 13 . 1 1 42 42 VAL CB C 42 32.330 32.330 34.204 -1.874 18475 4033 1 13 . 1 1 42 42 VAL H H 42 7.848 7.848 7.743 0.105 18475 4034 1 13 . 1 1 43 43 LEU N N 43 129.206 129.206 123.238 5.968 18475 4035 1 13 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.908 -0.437 18475 4036 1 13 . 1 1 43 43 LEU CA C 43 52.410 52.410 51.257 1.153 18475 4037 1 13 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.502 0.702 18475 4038 1 13 . 1 1 43 43 LEU H H 43 8.764 8.764 8.175 0.589 18475 4039 1 13 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.517 -0.087 18475 4040 1 13 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.139 0.287 18475 4041 1 13 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.541 -0.684 18475 4042 1 13 . 1 1 45 45 HIS N N 45 126.707 126.707 116.604 10.103 18475 4043 1 13 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.655 -0.638 18475 4044 1 13 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.436 1.311 18475 4045 1 13 . 1 1 45 45 HIS CB C 45 31.007 31.007 29.180 1.827 18475 4046 1 13 . 1 1 45 45 HIS H H 45 8.880 8.880 8.287 0.593 18475 4047 1 13 . 1 1 46 46 GLY N N 46 115.148 115.148 113.245 1.903 18475 4048 1 13 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.676 0.415 18475 4049 1 13 . 1 1 46 46 GLY H H 46 9.143 9.143 8.851 0.292 18475 4050 1 13 . 1 1 47 47 THR N N 47 117.455 117.455 120.610 -3.155 18475 4051 1 13 . 1 1 47 47 THR HA H 47 3.919 3.919 4.049 -0.130 18475 4052 1 13 . 1 1 47 47 THR CA C 47 65.329 65.329 64.632 0.697 18475 4053 1 13 . 1 1 47 47 THR CB C 47 70.171 70.171 69.065 1.106 18475 4054 1 13 . 1 1 47 47 THR H H 47 7.680 7.680 7.591 0.089 18475 4055 1 13 . 1 1 48 48 ALA N N 48 131.425 131.425 131.785 -0.360 18475 4056 1 13 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.786 -0.318 18475 4057 1 13 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.413 0.641 18475 4058 1 13 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.666 -0.130 18475 4059 1 13 . 1 1 48 48 ALA H H 48 8.777 8.777 8.563 0.214 18475 4060 1 13 . 1 1 49 49 VAL N N 49 122.720 122.720 124.181 -1.461 18475 4061 1 13 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.297 -0.339 18475 4062 1 13 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.142 0.280 18475 4063 1 13 . 1 1 49 49 VAL CB C 49 34.974 34.974 34.668 0.306 18475 4064 1 13 . 1 1 49 49 VAL H H 49 8.564 8.564 8.524 0.040 18475 4065 1 13 . 1 1 50 50 GLU N N 50 129.105 129.105 125.746 3.359 18475 4066 1 13 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.480 -0.152 18475 4067 1 13 . 1 1 50 50 GLU CA C 50 55.869 55.869 55.307 0.562 18475 4068 1 13 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.843 -1.067 18475 4069 1 13 . 1 1 50 50 GLU H H 50 9.632 9.632 8.427 1.205 18475 4070 1 13 . 1 1 51 51 LEU N N 51 126.085 126.085 126.484 -0.399 18475 4071 1 13 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.867 0.077 18475 4072 1 13 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.734 -0.750 18475 4073 1 13 . 1 1 51 51 LEU CB C 51 40.919 40.919 42.681 -1.762 18475 4074 1 13 . 1 1 51 51 LEU H H 51 8.474 8.474 8.071 0.403 18475 4075 1 13 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.564 -0.072 18475 4076 1 13 . 1 1 52 52 PRO CA C 52 62.130 62.130 63.101 -0.971 18475 4077 1 13 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.503 0.084 18475 4078 1 13 . 1 1 53 53 ASP N N 53 120.950 120.950 117.884 3.066 18475 4079 1 13 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.321 0.354 18475 4080 1 13 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.389 -0.269 18475 4081 1 13 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.406 0.084 18475 4082 1 13 . 1 1 53 53 ASP H H 53 8.737 8.737 8.675 0.062 18475 4083 1 13 . 1 1 54 54 VAL N N 54 121.459 121.459 118.047 3.412 18475 4084 1 13 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.409 -0.212 18475 4085 1 13 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.266 0.764 18475 4086 1 13 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.424 -1.097 18475 4087 1 13 . 1 1 54 54 VAL H H 54 8.161 8.161 8.061 0.100 18475 4088 1 13 . 1 1 55 55 GLN N N 55 124.703 124.703 124.421 0.282 18475 4089 1 13 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.614 -0.183 18475 4090 1 13 . 1 1 55 55 GLN CA C 55 56.109 56.109 54.893 1.216 18475 4091 1 13 . 1 1 55 55 GLN CB C 55 29.484 29.484 30.014 -0.530 18475 4092 1 13 . 1 1 55 55 GLN H H 55 8.623 8.623 8.317 0.306 18475 4093 1 13 . 1 1 56 56 THR HA H 56 4.332 4.332 4.190 0.142 18475 4094 1 13 . 1 1 56 56 THR CA C 56 61.688 61.688 62.440 -0.752 18475 4095 1 13 . 1 1 56 56 THR CB C 56 69.969 69.969 69.316 0.653 18475 4096 1 13 . 1 1 57 57 ALA N N 57 127.534 127.534 123.146 4.388 18475 4097 1 13 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.675 -0.022 18475 4098 1 13 . 1 1 57 57 ALA CA C 57 50.572 50.572 49.989 0.583 18475 4099 1 13 . 1 1 57 57 ALA CB C 57 18.397 18.397 19.718 -1.321 18475 4100 1 13 . 1 1 57 57 ALA H H 57 8.277 8.277 8.265 0.012 18475 4101 1 13 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.430 0.054 18475 4102 1 13 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.877 -0.466 18475 4103 1 13 . 1 1 58 58 PRO CB C 58 32.030 32.030 30.198 1.832 18475 4104 1 13 . 1 1 59 59 VAL N N 59 120.618 120.618 122.990 -2.372 18475 4105 1 13 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.305 -0.238 18475 4106 1 13 . 1 1 59 59 VAL CA C 59 62.396 62.396 60.139 2.257 18475 4107 1 13 . 1 1 59 59 VAL CB C 59 32.832 32.832 34.554 -1.722 18475 4108 1 13 . 1 1 59 59 VAL H H 59 8.219 8.219 7.918 0.301 18475 4109 1 13 . 1 1 60 60 ALA N N 60 127.858 127.858 130.332 -2.474 18475 4110 1 13 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.444 -0.122 18475 4111 1 13 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.129 0.512 18475 4112 1 13 . 1 1 60 60 ALA CB C 60 19.368 19.368 18.156 1.212 18475 4113 1 13 . 1 1 60 60 ALA H H 60 8.399 8.399 8.484 -0.085 18475 4114 1 13 . 1 1 61 61 GLU N N 61 120.215 120.215 121.070 -0.855 18475 4115 1 13 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.506 -0.201 18475 4116 1 13 . 1 1 61 61 GLU CA C 61 56.778 56.778 55.957 0.821 18475 4117 1 13 . 1 1 61 61 GLU CB C 61 30.357 30.357 33.177 -2.820 18475 4118 1 13 . 1 1 61 61 GLU H H 61 8.405 8.405 8.299 0.106 18475 4119 1 13 . 1 1 62 62 THR N N 62 115.392 115.392 115.561 -0.169 18475 4120 1 13 . 1 1 62 62 THR HA H 62 4.327 4.327 4.732 -0.405 18475 4121 1 13 . 1 1 62 62 THR CA C 62 61.984 61.984 61.461 0.523 18475 4122 1 13 . 1 1 62 62 THR CB C 62 69.856 69.856 69.203 0.653 18475 4123 1 13 . 1 1 62 62 THR H H 62 8.166 8.166 8.264 -0.098 18475 4124 1 13 . 1 1 63 63 VAL N N 63 122.511 122.511 124.604 -2.093 18475 4125 1 13 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.099 -0.052 18475 4126 1 13 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.725 0.547 18475 4127 1 13 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.976 -1.123 18475 4128 1 13 . 1 1 63 63 VAL H H 63 8.099 8.099 8.381 -0.282 18475 4129 1 13 . 1 1 64 64 ASN N N 64 122.642 122.642 125.119 -2.477 18475 4130 1 13 . 1 1 64 64 ASN HA H 64 4.623 4.623 5.033 -0.410 18475 4131 1 13 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.119 -0.218 18475 4132 1 13 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.072 0.469 18475 4133 1 13 . 1 1 64 64 ASN H H 64 8.471 8.471 8.305 0.166 18475 4134 1 13 . 1 1 65 65 LEU N N 65 123.365 123.365 125.539 -2.174 18475 4135 1 13 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.162 0.002 18475 4136 1 13 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.154 2.010 18475 4137 1 13 . 1 1 65 65 LEU CB C 65 41.989 41.989 43.493 -1.504 18475 4138 1 13 . 1 1 65 65 LEU H H 65 8.226 8.226 8.162 0.064 18475 4139 1 13 . 1 1 66 66 TRP N N 66 119.270 119.270 125.676 -6.406 18475 4140 1 13 . 1 1 66 66 TRP HA H 66 4.644 4.644 5.052 -0.408 18475 4141 1 13 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.698 1.120 18475 4142 1 13 . 1 1 66 66 TRP CB C 66 29.145 29.145 30.137 -0.992 18475 4143 1 13 . 1 1 66 66 TRP H H 66 7.886 7.886 8.066 -0.180 18475 4144 1 13 . 1 1 67 67 GLU N N 67 121.087 121.087 120.251 0.836 18475 4145 1 13 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.560 -0.336 18475 4146 1 13 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.007 0.976 18475 4147 1 13 . 1 1 67 67 GLU CB C 67 30.211 30.211 31.482 -1.271 18475 4148 1 13 . 1 1 67 67 GLU H H 67 7.982 7.982 8.420 -0.438 18475 4149 1 13 . 1 1 68 68 VAL N N 68 119.603 119.603 119.527 0.076 18475 4150 1 13 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.687 -0.700 18475 4151 1 13 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.182 0.647 18475 4152 1 13 . 1 1 68 68 VAL CB C 68 32.734 32.734 31.900 0.834 18475 4153 1 13 . 1 1 68 68 VAL H H 68 7.836 7.836 8.423 -0.587 18475 4154 1 13 . 1 1 69 69 GLU N N 69 122.754 122.754 122.703 0.051 18475 4155 1 13 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.655 -0.472 18475 4156 1 13 . 1 1 69 69 GLU CA C 69 56.886 56.886 55.670 1.216 18475 4157 1 13 . 1 1 69 69 GLU CB C 69 30.236 30.236 31.007 -0.771 18475 4158 1 13 . 1 1 69 69 GLU H H 69 8.287 8.287 8.569 -0.282 18475 4159 1 13 . 1 1 70 70 HIS N N 70 119.727 119.727 120.283 -0.556 18475 4160 1 13 . 1 1 70 70 HIS H H 70 8.145 8.145 8.882 -0.737 18475 4161 1 14 . 1 1 2 2 LYS N N 2 125.102 125.102 120.256 4.846 18475 4162 1 14 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.291 -0.501 18475 4163 1 14 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.704 0.645 18475 4164 1 14 . 1 1 2 2 LYS CB C 2 34.348 34.348 35.561 -1.213 18475 4165 1 14 . 1 1 2 2 LYS H H 2 8.576 8.576 7.866 0.710 18475 4166 1 14 . 1 1 3 3 THR N N 3 118.344 118.344 115.065 3.279 18475 4167 1 14 . 1 1 3 3 THR HA H 3 4.431 4.431 4.298 0.133 18475 4168 1 14 . 1 1 3 3 THR CA C 3 58.999 58.999 60.223 -1.224 18475 4169 1 14 . 1 1 3 3 THR CB C 3 70.310 70.310 70.165 0.145 18475 4170 1 14 . 1 1 3 3 THR H H 3 8.411 8.411 8.080 0.331 18475 4171 1 14 . 1 1 4 4 PHE N N 4 119.203 119.203 121.212 -2.009 18475 4172 1 14 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.651 0.614 18475 4173 1 14 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.837 -1.238 18475 4174 1 14 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.052 2.469 18475 4175 1 14 . 1 1 4 4 PHE H H 4 7.738 7.738 8.168 -0.430 18475 4176 1 14 . 1 1 5 5 ALA N N 5 125.356 125.356 128.114 -2.758 18475 4177 1 14 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.717 -0.393 18475 4178 1 14 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.609 1.105 18475 4179 1 14 . 1 1 5 5 ALA CB C 5 19.937 19.937 18.791 1.146 18475 4180 1 14 . 1 1 5 5 ALA H H 5 9.071 9.071 9.045 0.026 18475 4181 1 14 . 1 1 6 6 LEU N N 6 126.309 126.309 124.403 1.906 18475 4182 1 14 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.710 -0.202 18475 4183 1 14 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.456 0.941 18475 4184 1 14 . 1 1 6 6 LEU CB C 6 42.307 42.307 44.102 -1.795 18475 4185 1 14 . 1 1 6 6 LEU H H 6 9.657 9.657 7.908 1.749 18475 4186 1 14 . 1 1 7 7 GLN N N 7 119.930 119.930 121.484 -1.554 18475 4187 1 14 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.121 0.056 18475 4188 1 14 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.262 0.248 18475 4189 1 14 . 1 1 7 7 GLN CB C 7 27.938 27.938 27.989 -0.051 18475 4190 1 14 . 1 1 7 7 GLN H H 7 8.647 8.647 8.626 0.021 18475 4191 1 14 . 1 1 8 8 GLY N N 8 117.081 117.081 113.689 3.392 18475 4192 1 14 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.511 -0.166 18475 4193 1 14 . 1 1 8 8 GLY H H 8 9.812 9.812 8.913 0.899 18475 4194 1 14 . 1 1 9 9 ASP N N 9 121.569 121.569 118.340 3.229 18475 4195 1 14 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.915 -0.256 18475 4196 1 14 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.355 2.284 18475 4197 1 14 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.749 0.378 18475 4198 1 14 . 1 1 9 9 ASP H H 9 8.085 8.085 8.473 -0.388 18475 4199 1 14 . 1 1 10 10 THR N N 10 106.071 106.071 110.421 -4.350 18475 4200 1 14 . 1 1 10 10 THR HA H 10 4.984 4.984 4.380 0.604 18475 4201 1 14 . 1 1 10 10 THR CA C 10 58.309 58.309 60.514 -2.205 18475 4202 1 14 . 1 1 10 10 THR CB C 10 72.680 72.680 70.956 1.724 18475 4203 1 14 . 1 1 10 10 THR H H 10 6.920 6.920 7.410 -0.490 18475 4204 1 14 . 1 1 11 11 LEU N N 11 122.591 122.591 119.934 2.657 18475 4205 1 14 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.990 0.141 18475 4206 1 14 . 1 1 11 11 LEU CA C 11 58.327 58.327 59.552 -1.225 18475 4207 1 14 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.483 -0.061 18475 4208 1 14 . 1 1 11 11 LEU H H 11 9.621 9.621 8.763 0.858 18475 4209 1 14 . 1 1 12 12 ASP N N 12 118.388 118.388 118.680 -0.292 18475 4210 1 14 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.372 -0.231 18475 4211 1 14 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.077 0.732 18475 4212 1 14 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.264 0.202 18475 4213 1 14 . 1 1 12 12 ASP H H 12 8.561 8.561 8.124 0.437 18475 4214 1 14 . 1 1 13 13 ALA N N 13 121.142 121.142 121.258 -0.116 18475 4215 1 14 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.331 -0.310 18475 4216 1 14 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.303 0.934 18475 4217 1 14 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.576 -1.067 18475 4218 1 14 . 1 1 13 13 ALA H H 13 7.870 7.870 7.629 0.241 18475 4219 1 14 . 1 1 14 14 ILE N N 14 119.983 119.983 119.559 0.424 18475 4220 1 14 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.664 -0.044 18475 4221 1 14 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.857 0.209 18475 4222 1 14 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.904 0.719 18475 4223 1 14 . 1 1 14 14 ILE H H 14 8.043 8.043 8.580 -0.537 18475 4224 1 14 . 1 1 15 15 CYS N N 15 117.727 117.727 116.721 1.006 18475 4225 1 14 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.426 0.051 18475 4226 1 14 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.558 0.863 18475 4227 1 14 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.386 -0.017 18475 4228 1 14 . 1 1 15 15 CYS H H 15 8.477 8.477 8.608 -0.131 18475 4229 1 14 . 1 1 16 16 VAL N N 16 120.808 120.808 119.928 0.880 18475 4230 1 14 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.006 -0.688 18475 4231 1 14 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.547 2.050 18475 4232 1 14 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.771 -0.388 18475 4233 1 14 . 1 1 16 16 VAL H H 16 8.477 8.477 8.117 0.360 18475 4234 1 14 . 1 1 17 17 ARG N N 17 119.589 119.589 119.500 0.089 18475 4235 1 14 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.209 -0.273 18475 4236 1 14 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.654 1.530 18475 4237 1 14 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.119 0.562 18475 4238 1 14 . 1 1 17 17 ARG H H 17 7.963 7.963 8.107 -0.144 18475 4239 1 14 . 1 1 18 18 TYR N N 18 113.897 113.897 117.229 -3.332 18475 4240 1 14 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.315 0.066 18475 4241 1 14 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.384 0.727 18475 4242 1 14 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.721 0.290 18475 4243 1 14 . 1 1 18 18 TYR H H 18 7.833 7.833 7.929 -0.096 18475 4244 1 14 . 1 1 19 19 TYR N N 19 115.270 115.270 114.183 1.087 18475 4245 1 14 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.575 0.170 18475 4246 1 14 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.577 -0.237 18475 4247 1 14 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.738 0.152 18475 4248 1 14 . 1 1 19 19 TYR H H 19 8.936 8.936 7.726 1.210 18475 4249 1 14 . 1 1 20 20 GLY N N 20 108.099 108.099 106.253 1.846 18475 4250 1 14 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.140 0.660 18475 4251 1 14 . 1 1 20 20 GLY H H 20 7.921 7.921 8.556 -0.635 18475 4252 1 14 . 1 1 21 21 ARG N N 21 115.116 115.116 117.568 -2.452 18475 4253 1 14 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.692 0.041 18475 4254 1 14 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.587 0.133 18475 4255 1 14 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.550 -0.285 18475 4256 1 14 . 1 1 21 21 ARG H H 21 7.495 7.495 7.828 -0.333 18475 4257 1 14 . 1 1 22 22 THR N N 22 106.239 106.239 109.027 -2.788 18475 4258 1 14 . 1 1 22 22 THR HA H 22 4.320 4.320 4.437 -0.117 18475 4259 1 14 . 1 1 22 22 THR CA C 22 62.284 62.284 62.563 -0.279 18475 4260 1 14 . 1 1 22 22 THR CB C 22 69.292 69.292 69.983 -0.691 18475 4261 1 14 . 1 1 22 22 THR H H 22 8.162 8.162 8.307 -0.145 18475 4262 1 14 . 1 1 23 23 GLU N N 23 126.964 126.964 123.517 3.447 18475 4263 1 14 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.104 0.061 18475 4264 1 14 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.474 1.278 18475 4265 1 14 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.919 0.061 18475 4266 1 14 . 1 1 23 23 GLU H H 23 8.543 8.543 8.230 0.313 18475 4267 1 14 . 1 1 24 24 GLY N N 24 115.618 115.618 113.988 1.630 18475 4268 1 14 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.590 0.425 18475 4269 1 14 . 1 1 24 24 GLY H H 24 9.112 9.112 8.492 0.620 18475 4270 1 14 . 1 1 25 25 VAL N N 25 118.084 118.084 120.456 -2.372 18475 4271 1 14 . 1 1 25 25 VAL HA H 25 4.004 4.004 4.014 -0.010 18475 4272 1 14 . 1 1 25 25 VAL CA C 25 63.479 63.479 63.862 -0.383 18475 4273 1 14 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.667 1.216 18475 4274 1 14 . 1 1 25 25 VAL H H 25 7.860 7.860 7.259 0.601 18475 4275 1 14 . 1 1 26 26 VAL N N 26 121.094 121.094 117.403 3.691 18475 4276 1 14 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.708 0.049 18475 4277 1 14 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.264 1.597 18475 4278 1 14 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.914 0.976 18475 4279 1 14 . 1 1 26 26 VAL H H 26 8.101 8.101 7.875 0.226 18475 4280 1 14 . 1 1 27 27 GLU N N 27 119.186 119.186 119.326 -0.140 18475 4281 1 14 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.083 -0.101 18475 4282 1 14 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.351 1.309 18475 4283 1 14 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.132 -0.676 18475 4284 1 14 . 1 1 27 27 GLU H H 27 8.910 8.910 8.704 0.206 18475 4285 1 14 . 1 1 28 28 THR N N 28 117.846 117.846 117.359 0.487 18475 4286 1 14 . 1 1 28 28 THR HA H 28 3.980 3.980 4.000 -0.020 18475 4287 1 14 . 1 1 28 28 THR CA C 28 66.119 66.119 66.175 -0.056 18475 4288 1 14 . 1 1 28 28 THR CB C 28 68.459 68.459 68.320 0.139 18475 4289 1 14 . 1 1 28 28 THR H H 28 7.502 7.502 7.689 -0.187 18475 4290 1 14 . 1 1 29 29 VAL N N 29 123.919 123.919 121.498 2.421 18475 4291 1 14 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.541 -0.114 18475 4292 1 14 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.298 1.101 18475 4293 1 14 . 1 1 29 29 VAL CB C 29 31.565 31.565 31.331 0.234 18475 4294 1 14 . 1 1 29 29 VAL H H 29 8.025 8.025 7.438 0.587 18475 4295 1 14 . 1 1 30 30 LEU N N 30 122.820 122.820 119.177 3.643 18475 4296 1 14 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.961 0.014 18475 4297 1 14 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.587 1.365 18475 4298 1 14 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.743 -0.283 18475 4299 1 14 . 1 1 30 30 LEU H H 30 8.971 8.971 7.542 1.429 18475 4300 1 14 . 1 1 31 31 ALA N N 31 120.021 120.021 119.766 0.255 18475 4301 1 14 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.104 -0.006 18475 4302 1 14 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.650 -0.079 18475 4303 1 14 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.343 -0.428 18475 4304 1 14 . 1 1 31 31 ALA H H 31 7.652 7.652 7.539 0.113 18475 4305 1 14 . 1 1 32 32 ALA N N 32 117.285 117.285 119.393 -2.108 18475 4306 1 14 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.200 0.194 18475 4307 1 14 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.078 -1.054 18475 4308 1 14 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.672 -0.305 18475 4309 1 14 . 1 1 32 32 ALA H H 32 7.278 7.278 7.375 -0.097 18475 4310 1 14 . 1 1 33 33 ASN N N 33 116.716 116.716 116.886 -0.170 18475 4311 1 14 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.168 0.018 18475 4312 1 14 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.896 0.333 18475 4313 1 14 . 1 1 33 33 ASN CB C 33 42.413 42.413 39.581 2.832 18475 4314 1 14 . 1 1 33 33 ASN H H 33 7.536 7.536 8.258 -0.722 18475 4315 1 14 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.559 -0.072 18475 4316 1 14 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.914 0.846 18475 4317 1 14 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.137 -0.723 18475 4318 1 14 . 1 1 35 35 GLY N N 35 110.626 110.626 109.921 0.705 18475 4319 1 14 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.191 0.449 18475 4320 1 14 . 1 1 35 35 GLY H H 35 8.911 8.911 8.420 0.491 18475 4321 1 14 . 1 1 36 36 LEU N N 36 121.614 121.614 123.690 -2.076 18475 4322 1 14 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.130 0.117 18475 4323 1 14 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.652 -0.928 18475 4324 1 14 . 1 1 36 36 LEU CB C 36 41.981 41.981 40.962 1.018 18475 4325 1 14 . 1 1 36 36 LEU H H 36 7.974 7.974 7.618 0.356 18475 4326 1 14 . 1 1 37 37 ALA N N 37 120.690 120.690 118.433 2.257 18475 4327 1 14 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.018 0.125 18475 4328 1 14 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.429 0.013 18475 4329 1 14 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.509 0.488 18475 4330 1 14 . 1 1 37 37 ALA H H 37 8.215 8.215 8.477 -0.262 18475 4331 1 14 . 1 1 38 38 GLU N N 38 115.505 115.505 116.973 -1.468 18475 4332 1 14 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.342 -0.051 18475 4333 1 14 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.020 0.968 18475 4334 1 14 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.604 0.235 18475 4335 1 14 . 1 1 38 38 GLU H H 38 7.982 7.982 7.654 0.328 18475 4336 1 14 . 1 1 39 39 LEU N N 39 119.888 119.888 120.268 -0.380 18475 4337 1 14 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.264 0.005 18475 4338 1 14 . 1 1 39 39 LEU CA C 39 55.940 55.940 55.342 0.598 18475 4339 1 14 . 1 1 39 39 LEU CB C 39 42.308 42.308 43.105 -0.797 18475 4340 1 14 . 1 1 39 39 LEU H H 39 7.760 7.760 7.965 -0.205 18475 4341 1 14 . 1 1 40 40 GLY N N 40 105.788 105.788 104.989 0.799 18475 4342 1 14 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.651 -0.201 18475 4343 1 14 . 1 1 40 40 GLY H H 40 7.863 7.863 7.628 0.235 18475 4344 1 14 . 1 1 41 41 ALA N N 41 120.963 120.963 122.277 -1.314 18475 4345 1 14 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.622 -0.441 18475 4346 1 14 . 1 1 41 41 ALA CA C 41 54.089 54.089 52.566 1.523 18475 4347 1 14 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.051 0.370 18475 4348 1 14 . 1 1 41 41 ALA H H 41 7.956 7.956 8.278 -0.322 18475 4349 1 14 . 1 1 42 42 VAL N N 42 116.969 116.969 120.613 -3.644 18475 4350 1 14 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.131 0.075 18475 4351 1 14 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.734 -0.076 18475 4352 1 14 . 1 1 42 42 VAL CB C 42 32.330 32.330 33.444 -1.114 18475 4353 1 14 . 1 1 42 42 VAL H H 42 7.848 7.848 7.861 -0.013 18475 4354 1 14 . 1 1 43 43 LEU N N 43 129.206 129.206 128.670 0.536 18475 4355 1 14 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.578 -0.107 18475 4356 1 14 . 1 1 43 43 LEU CA C 43 52.410 52.410 52.707 -0.297 18475 4357 1 14 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.573 0.631 18475 4358 1 14 . 1 1 43 43 LEU H H 43 8.764 8.764 8.220 0.544 18475 4359 1 14 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.483 -0.053 18475 4360 1 14 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.651 -0.225 18475 4361 1 14 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.185 -0.328 18475 4362 1 14 . 1 1 45 45 HIS N N 45 126.707 126.707 120.445 6.262 18475 4363 1 14 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.519 -0.502 18475 4364 1 14 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.674 1.073 18475 4365 1 14 . 1 1 45 45 HIS CB C 45 31.007 31.007 28.271 2.736 18475 4366 1 14 . 1 1 45 45 HIS H H 45 8.880 8.880 8.649 0.231 18475 4367 1 14 . 1 1 46 46 GLY N N 46 115.148 115.148 112.376 2.772 18475 4368 1 14 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.949 0.142 18475 4369 1 14 . 1 1 46 46 GLY H H 46 9.143 9.143 8.450 0.693 18475 4370 1 14 . 1 1 47 47 THR N N 47 117.455 117.455 121.074 -3.619 18475 4371 1 14 . 1 1 47 47 THR HA H 47 3.919 3.919 4.530 -0.611 18475 4372 1 14 . 1 1 47 47 THR CA C 47 65.329 65.329 62.490 2.839 18475 4373 1 14 . 1 1 47 47 THR CB C 47 70.171 70.171 69.094 1.077 18475 4374 1 14 . 1 1 47 47 THR H H 47 7.680 7.680 7.994 -0.314 18475 4375 1 14 . 1 1 48 48 ALA N N 48 131.425 131.425 130.868 0.557 18475 4376 1 14 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.634 -0.166 18475 4377 1 14 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.687 0.367 18475 4378 1 14 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.861 -0.325 18475 4379 1 14 . 1 1 48 48 ALA H H 48 8.777 8.777 8.792 -0.015 18475 4380 1 14 . 1 1 49 49 VAL N N 49 122.720 122.720 121.780 0.940 18475 4381 1 14 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.297 -0.339 18475 4382 1 14 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.188 0.235 18475 4383 1 14 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.050 -0.076 18475 4384 1 14 . 1 1 49 49 VAL H H 49 8.564 8.564 8.416 0.148 18475 4385 1 14 . 1 1 50 50 GLU N N 50 129.105 129.105 127.230 1.875 18475 4386 1 14 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.259 0.069 18475 4387 1 14 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.412 -0.543 18475 4388 1 14 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.473 -0.696 18475 4389 1 14 . 1 1 50 50 GLU H H 50 9.632 9.632 8.549 1.083 18475 4390 1 14 . 1 1 51 51 LEU N N 51 126.085 126.085 126.969 -0.884 18475 4391 1 14 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.728 0.216 18475 4392 1 14 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.840 -0.855 18475 4393 1 14 . 1 1 51 51 LEU CB C 51 40.919 40.919 42.063 -1.144 18475 4394 1 14 . 1 1 51 51 LEU H H 51 8.474 8.474 7.977 0.497 18475 4395 1 14 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.581 -0.089 18475 4396 1 14 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.661 -0.531 18475 4397 1 14 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.584 0.003 18475 4398 1 14 . 1 1 53 53 ASP N N 53 120.950 120.950 116.889 4.061 18475 4399 1 14 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.309 0.366 18475 4400 1 14 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.481 -0.361 18475 4401 1 14 . 1 1 53 53 ASP CB C 53 40.490 40.490 39.534 0.956 18475 4402 1 14 . 1 1 53 53 ASP H H 53 8.737 8.737 8.682 0.055 18475 4403 1 14 . 1 1 54 54 VAL N N 54 121.459 121.459 117.834 3.625 18475 4404 1 14 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.340 -0.143 18475 4405 1 14 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.563 0.467 18475 4406 1 14 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.452 -1.125 18475 4407 1 14 . 1 1 54 54 VAL H H 54 8.161 8.161 7.919 0.242 18475 4408 1 14 . 1 1 55 55 GLN N N 55 124.703 124.703 124.025 0.678 18475 4409 1 14 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.719 -0.288 18475 4410 1 14 . 1 1 55 55 GLN CA C 55 56.109 56.109 55.256 0.853 18475 4411 1 14 . 1 1 55 55 GLN CB C 55 29.484 29.484 30.316 -0.832 18475 4412 1 14 . 1 1 55 55 GLN H H 55 8.623 8.623 8.597 0.026 18475 4413 1 14 . 1 1 56 56 THR HA H 56 4.332 4.332 4.428 -0.096 18475 4414 1 14 . 1 1 56 56 THR CA C 56 61.688 61.688 61.184 0.504 18475 4415 1 14 . 1 1 56 56 THR CB C 56 69.969 69.969 70.048 -0.079 18475 4416 1 14 . 1 1 57 57 ALA N N 57 127.534 127.534 124.928 2.606 18475 4417 1 14 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.385 0.268 18475 4418 1 14 . 1 1 57 57 ALA CA C 57 50.572 50.572 51.255 -0.683 18475 4419 1 14 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.562 -0.165 18475 4420 1 14 . 1 1 57 57 ALA H H 57 8.277 8.277 8.298 -0.021 18475 4421 1 14 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.410 0.074 18475 4422 1 14 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.915 -0.505 18475 4423 1 14 . 1 1 58 58 PRO CB C 58 32.030 32.030 31.049 0.981 18475 4424 1 14 . 1 1 59 59 VAL N N 59 120.618 120.618 119.139 1.479 18475 4425 1 14 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.400 -0.333 18475 4426 1 14 . 1 1 59 59 VAL CA C 59 62.396 62.396 60.231 2.165 18475 4427 1 14 . 1 1 59 59 VAL CB C 59 32.832 32.832 33.742 -0.910 18475 4428 1 14 . 1 1 59 59 VAL H H 59 8.219 8.219 8.041 0.178 18475 4429 1 14 . 1 1 60 60 ALA N N 60 127.858 127.858 127.145 0.713 18475 4430 1 14 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.146 0.176 18475 4431 1 14 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.913 -0.272 18475 4432 1 14 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.020 0.348 18475 4433 1 14 . 1 1 60 60 ALA H H 60 8.399 8.399 8.544 -0.145 18475 4434 1 14 . 1 1 61 61 GLU N N 61 120.215 120.215 122.274 -2.059 18475 4435 1 14 . 1 1 61 61 GLU HA H 61 4.305 4.305 5.175 -0.870 18475 4436 1 14 . 1 1 61 61 GLU CA C 61 56.778 56.778 55.768 1.010 18475 4437 1 14 . 1 1 61 61 GLU CB C 61 30.357 30.357 30.983 -0.625 18475 4438 1 14 . 1 1 61 61 GLU H H 61 8.405 8.405 8.553 -0.148 18475 4439 1 14 . 1 1 62 62 THR N N 62 115.392 115.392 114.207 1.185 18475 4440 1 14 . 1 1 62 62 THR HA H 62 4.327 4.327 4.852 -0.525 18475 4441 1 14 . 1 1 62 62 THR CA C 62 61.984 61.984 61.303 0.680 18475 4442 1 14 . 1 1 62 62 THR CB C 62 69.856 69.856 70.928 -1.072 18475 4443 1 14 . 1 1 62 62 THR H H 62 8.166 8.166 8.481 -0.315 18475 4444 1 14 . 1 1 63 63 VAL N N 63 122.511 122.511 121.932 0.579 18475 4445 1 14 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.374 -0.327 18475 4446 1 14 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.409 0.863 18475 4447 1 14 . 1 1 63 63 VAL CB C 63 32.853 32.853 34.269 -1.416 18475 4448 1 14 . 1 1 63 63 VAL H H 63 8.099 8.099 8.760 -0.661 18475 4449 1 14 . 1 1 64 64 ASN N N 64 122.642 122.642 126.434 -3.792 18475 4450 1 14 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.834 -0.211 18475 4451 1 14 . 1 1 64 64 ASN CA C 64 52.901 52.901 52.564 0.337 18475 4452 1 14 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.926 -0.385 18475 4453 1 14 . 1 1 64 64 ASN H H 64 8.471 8.471 8.416 0.055 18475 4454 1 14 . 1 1 65 65 LEU N N 65 123.365 123.365 122.080 1.285 18475 4455 1 14 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.325 -0.161 18475 4456 1 14 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.226 1.938 18475 4457 1 14 . 1 1 65 65 LEU CB C 65 41.989 41.989 43.756 -1.767 18475 4458 1 14 . 1 1 65 65 LEU H H 65 8.226 8.226 8.288 -0.062 18475 4459 1 14 . 1 1 66 66 TRP N N 66 119.270 119.270 125.097 -5.827 18475 4460 1 14 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.616 0.028 18475 4461 1 14 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.937 0.881 18475 4462 1 14 . 1 1 66 66 TRP CB C 66 29.145 29.145 28.841 0.304 18475 4463 1 14 . 1 1 66 66 TRP H H 66 7.886 7.886 8.285 -0.399 18475 4464 1 14 . 1 1 67 67 GLU N N 67 121.087 121.087 124.384 -3.297 18475 4465 1 14 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.530 -0.306 18475 4466 1 14 . 1 1 67 67 GLU CA C 67 56.983 56.983 55.867 1.116 18475 4467 1 14 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.619 -0.408 18475 4468 1 14 . 1 1 67 67 GLU H H 67 7.982 7.982 8.926 -0.944 18475 4469 1 14 . 1 1 68 68 VAL N N 68 119.603 119.603 120.400 -0.797 18475 4470 1 14 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.414 -0.427 18475 4471 1 14 . 1 1 68 68 VAL CA C 68 62.829 62.829 61.944 0.885 18475 4472 1 14 . 1 1 68 68 VAL CB C 68 32.734 32.734 31.937 0.797 18475 4473 1 14 . 1 1 68 68 VAL H H 68 7.836 7.836 7.679 0.157 18475 4474 1 14 . 1 1 69 69 GLU N N 69 122.754 122.754 126.859 -4.105 18475 4475 1 14 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.389 -0.206 18475 4476 1 14 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.589 0.298 18475 4477 1 14 . 1 1 69 69 GLU CB C 69 30.236 30.236 30.942 -0.706 18475 4478 1 14 . 1 1 69 69 GLU H H 69 8.287 8.287 8.892 -0.605 18475 4479 1 14 . 1 1 70 70 HIS N N 70 119.727 119.727 120.630 -0.903 18475 4480 1 14 . 1 1 70 70 HIS H H 70 8.145 8.145 8.371 -0.226 18475 4481 1 15 . 1 1 2 2 LYS N N 2 125.102 125.102 119.034 6.068 18475 4482 1 15 . 1 1 2 2 LYS HA H 2 4.790 4.790 4.812 -0.022 18475 4483 1 15 . 1 1 2 2 LYS CA C 2 55.349 55.349 55.635 -0.285 18475 4484 1 15 . 1 1 2 2 LYS CB C 2 34.348 34.348 33.633 0.715 18475 4485 1 15 . 1 1 2 2 LYS H H 2 8.576 8.576 7.784 0.792 18475 4486 1 15 . 1 1 3 3 THR N N 3 118.344 118.344 114.967 3.377 18475 4487 1 15 . 1 1 3 3 THR HA H 3 4.431 4.431 4.196 0.235 18475 4488 1 15 . 1 1 3 3 THR CA C 3 58.999 58.999 60.421 -1.422 18475 4489 1 15 . 1 1 3 3 THR CB C 3 70.310 70.310 70.243 0.067 18475 4490 1 15 . 1 1 3 3 THR H H 3 8.411 8.411 8.369 0.042 18475 4491 1 15 . 1 1 4 4 PHE N N 4 119.203 119.203 121.319 -2.116 18475 4492 1 15 . 1 1 4 4 PHE HA H 4 5.265 5.265 5.085 0.180 18475 4493 1 15 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.003 -0.404 18475 4494 1 15 . 1 1 4 4 PHE CB C 4 41.521 41.521 38.045 3.476 18475 4495 1 15 . 1 1 4 4 PHE H H 4 7.738 7.738 8.177 -0.439 18475 4496 1 15 . 1 1 5 5 ALA N N 5 125.356 125.356 127.823 -2.467 18475 4497 1 15 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.322 0.002 18475 4498 1 15 . 1 1 5 5 ALA CA C 5 52.714 52.714 52.705 0.009 18475 4499 1 15 . 1 1 5 5 ALA CB C 5 19.937 19.937 20.245 -0.308 18475 4500 1 15 . 1 1 5 5 ALA H H 5 9.071 9.071 8.907 0.164 18475 4501 1 15 . 1 1 6 6 LEU N N 6 126.309 126.309 121.535 4.774 18475 4502 1 15 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.679 -0.171 18475 4503 1 15 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.846 0.551 18475 4504 1 15 . 1 1 6 6 LEU CB C 6 42.307 42.307 45.547 -3.240 18475 4505 1 15 . 1 1 6 6 LEU H H 6 9.657 9.657 8.102 1.555 18475 4506 1 15 . 1 1 7 7 GLN N N 7 119.930 119.930 122.037 -2.107 18475 4507 1 15 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.174 0.003 18475 4508 1 15 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.223 0.287 18475 4509 1 15 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.248 -0.310 18475 4510 1 15 . 1 1 7 7 GLN H H 7 8.647 8.647 8.612 0.035 18475 4511 1 15 . 1 1 8 8 GLY N N 8 117.081 117.081 113.626 3.455 18475 4512 1 15 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.790 -0.445 18475 4513 1 15 . 1 1 8 8 GLY H H 8 9.812 9.812 8.980 0.832 18475 4514 1 15 . 1 1 9 9 ASP N N 9 121.569 121.569 119.002 2.567 18475 4515 1 15 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.929 -0.270 18475 4516 1 15 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.350 2.289 18475 4517 1 15 . 1 1 9 9 ASP CB C 9 42.127 42.127 42.008 0.118 18475 4518 1 15 . 1 1 9 9 ASP H H 9 8.085 8.085 8.338 -0.253 18475 4519 1 15 . 1 1 10 10 THR N N 10 106.071 106.071 111.094 -5.023 18475 4520 1 15 . 1 1 10 10 THR HA H 10 4.984 4.984 4.313 0.671 18475 4521 1 15 . 1 1 10 10 THR CA C 10 58.309 58.309 60.726 -2.417 18475 4522 1 15 . 1 1 10 10 THR CB C 10 72.680 72.680 70.243 2.437 18475 4523 1 15 . 1 1 10 10 THR H H 10 6.920 6.920 7.394 -0.474 18475 4524 1 15 . 1 1 11 11 LEU N N 11 122.591 122.591 119.952 2.639 18475 4525 1 15 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.955 0.176 18475 4526 1 15 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.583 -0.256 18475 4527 1 15 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.182 0.240 18475 4528 1 15 . 1 1 11 11 LEU H H 11 9.621 9.621 8.456 1.165 18475 4529 1 15 . 1 1 12 12 ASP N N 12 118.388 118.388 119.105 -0.717 18475 4530 1 15 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.350 -0.209 18475 4531 1 15 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.193 0.616 18475 4532 1 15 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.833 -0.367 18475 4533 1 15 . 1 1 12 12 ASP H H 12 8.561 8.561 7.999 0.562 18475 4534 1 15 . 1 1 13 13 ALA N N 13 121.142 121.142 121.057 0.085 18475 4535 1 15 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.320 -0.299 18475 4536 1 15 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.286 0.951 18475 4537 1 15 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.417 -0.908 18475 4538 1 15 . 1 1 13 13 ALA H H 13 7.870 7.870 7.621 0.249 18475 4539 1 15 . 1 1 14 14 ILE N N 14 119.983 119.983 119.538 0.445 18475 4540 1 15 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.655 -0.035 18475 4541 1 15 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.698 0.368 18475 4542 1 15 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.825 0.798 18475 4543 1 15 . 1 1 14 14 ILE H H 14 8.043 8.043 8.660 -0.617 18475 4544 1 15 . 1 1 15 15 CYS N N 15 117.727 117.727 116.383 1.344 18475 4545 1 15 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.423 0.054 18475 4546 1 15 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.189 1.232 18475 4547 1 15 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.131 0.237 18475 4548 1 15 . 1 1 15 15 CYS H H 15 8.477 8.477 8.563 -0.086 18475 4549 1 15 . 1 1 16 16 VAL N N 16 120.808 120.808 119.172 1.636 18475 4550 1 15 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.040 -0.722 18475 4551 1 15 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.711 1.887 18475 4552 1 15 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.578 -0.196 18475 4553 1 15 . 1 1 16 16 VAL H H 16 8.477 8.477 7.993 0.484 18475 4554 1 15 . 1 1 17 17 ARG N N 17 119.589 119.589 119.232 0.357 18475 4555 1 15 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.199 -0.263 18475 4556 1 15 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.459 1.725 18475 4557 1 15 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.107 0.574 18475 4558 1 15 . 1 1 17 17 ARG H H 17 7.963 7.963 8.208 -0.245 18475 4559 1 15 . 1 1 18 18 TYR N N 18 113.897 113.897 117.150 -3.253 18475 4560 1 15 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.358 0.023 18475 4561 1 15 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.102 1.009 18475 4562 1 15 . 1 1 18 18 TYR CB C 18 40.011 40.011 40.121 -0.110 18475 4563 1 15 . 1 1 18 18 TYR H H 18 7.833 7.833 8.117 -0.284 18475 4564 1 15 . 1 1 19 19 TYR N N 19 115.270 115.270 114.200 1.070 18475 4565 1 15 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.566 0.179 18475 4566 1 15 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.666 -0.326 18475 4567 1 15 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.638 0.252 18475 4568 1 15 . 1 1 19 19 TYR H H 19 8.936 8.936 7.697 1.239 18475 4569 1 15 . 1 1 20 20 GLY N N 20 108.099 108.099 106.153 1.946 18475 4570 1 15 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.157 0.643 18475 4571 1 15 . 1 1 20 20 GLY H H 20 7.921 7.921 8.576 -0.655 18475 4572 1 15 . 1 1 21 21 ARG N N 21 115.116 115.116 117.203 -2.087 18475 4573 1 15 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.669 0.064 18475 4574 1 15 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.577 0.143 18475 4575 1 15 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.461 -0.196 18475 4576 1 15 . 1 1 21 21 ARG H H 21 7.495 7.495 7.820 -0.325 18475 4577 1 15 . 1 1 22 22 THR N N 22 106.239 106.239 108.998 -2.759 18475 4578 1 15 . 1 1 22 22 THR HA H 22 4.320 4.320 4.450 -0.130 18475 4579 1 15 . 1 1 22 22 THR CA C 22 62.284 62.284 62.880 -0.596 18475 4580 1 15 . 1 1 22 22 THR CB C 22 69.292 69.292 69.994 -0.702 18475 4581 1 15 . 1 1 22 22 THR H H 22 8.162 8.162 8.323 -0.161 18475 4582 1 15 . 1 1 23 23 GLU N N 23 126.964 126.964 123.864 3.100 18475 4583 1 15 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.020 0.145 18475 4584 1 15 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.743 1.009 18475 4585 1 15 . 1 1 23 23 GLU CB C 23 28.980 28.980 29.322 -0.342 18475 4586 1 15 . 1 1 23 23 GLU H H 23 8.543 8.543 8.234 0.309 18475 4587 1 15 . 1 1 24 24 GLY N N 24 115.618 115.618 114.431 1.187 18475 4588 1 15 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.914 0.100 18475 4589 1 15 . 1 1 24 24 GLY H H 24 9.112 9.112 8.509 0.603 18475 4590 1 15 . 1 1 25 25 VAL N N 25 118.084 118.084 120.814 -2.730 18475 4591 1 15 . 1 1 25 25 VAL HA H 25 4.004 4.004 4.021 -0.017 18475 4592 1 15 . 1 1 25 25 VAL CA C 25 63.479 63.479 62.752 0.727 18475 4593 1 15 . 1 1 25 25 VAL CB C 25 33.883 33.883 31.910 1.973 18475 4594 1 15 . 1 1 25 25 VAL H H 25 7.860 7.860 7.430 0.430 18475 4595 1 15 . 1 1 26 26 VAL N N 26 121.094 121.094 117.422 3.672 18475 4596 1 15 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.735 0.022 18475 4597 1 15 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.612 1.249 18475 4598 1 15 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.875 1.015 18475 4599 1 15 . 1 1 26 26 VAL H H 26 8.101 8.101 8.048 0.053 18475 4600 1 15 . 1 1 27 27 GLU N N 27 119.186 119.186 118.994 0.192 18475 4601 1 15 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.095 -0.113 18475 4602 1 15 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.055 1.605 18475 4603 1 15 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.105 -0.649 18475 4604 1 15 . 1 1 27 27 GLU H H 27 8.910 8.910 8.746 0.164 18475 4605 1 15 . 1 1 28 28 THR N N 28 117.846 117.846 117.447 0.399 18475 4606 1 15 . 1 1 28 28 THR HA H 28 3.980 3.980 4.073 -0.093 18475 4607 1 15 . 1 1 28 28 THR CA C 28 66.119 66.119 66.245 -0.126 18475 4608 1 15 . 1 1 28 28 THR CB C 28 68.459 68.459 68.519 -0.061 18475 4609 1 15 . 1 1 28 28 THR H H 28 7.502 7.502 7.759 -0.257 18475 4610 1 15 . 1 1 29 29 VAL N N 29 123.919 123.919 122.000 1.919 18475 4611 1 15 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.729 -0.302 18475 4612 1 15 . 1 1 29 29 VAL CA C 29 67.399 67.399 65.924 1.476 18475 4613 1 15 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.845 0.720 18475 4614 1 15 . 1 1 29 29 VAL H H 29 8.025 8.025 7.573 0.452 18475 4615 1 15 . 1 1 30 30 LEU N N 30 122.820 122.820 118.804 4.016 18475 4616 1 15 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.987 -0.012 18475 4617 1 15 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.547 1.405 18475 4618 1 15 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.478 -0.018 18475 4619 1 15 . 1 1 30 30 LEU H H 30 8.971 8.971 7.587 1.384 18475 4620 1 15 . 1 1 31 31 ALA N N 31 120.021 120.021 120.241 -0.220 18475 4621 1 15 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.035 0.063 18475 4622 1 15 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.540 0.031 18475 4623 1 15 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.223 -0.308 18475 4624 1 15 . 1 1 31 31 ALA H H 31 7.652 7.652 7.498 0.154 18475 4625 1 15 . 1 1 32 32 ALA N N 32 117.285 117.285 120.379 -3.094 18475 4626 1 15 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.137 0.257 18475 4627 1 15 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.422 -1.398 18475 4628 1 15 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.753 -0.386 18475 4629 1 15 . 1 1 32 32 ALA H H 32 7.278 7.278 7.643 -0.365 18475 4630 1 15 . 1 1 33 33 ASN N N 33 116.716 116.716 116.785 -0.069 18475 4631 1 15 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.145 0.041 18475 4632 1 15 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.803 0.426 18475 4633 1 15 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.008 2.405 18475 4634 1 15 . 1 1 33 33 ASN H H 33 7.536 7.536 7.948 -0.412 18475 4635 1 15 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.598 -0.111 18475 4636 1 15 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.896 0.864 18475 4637 1 15 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.243 -0.829 18475 4638 1 15 . 1 1 35 35 GLY N N 35 110.626 110.626 110.227 0.399 18475 4639 1 15 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.091 0.549 18475 4640 1 15 . 1 1 35 35 GLY H H 35 8.911 8.911 8.590 0.321 18475 4641 1 15 . 1 1 36 36 LEU N N 36 121.614 121.614 123.408 -1.794 18475 4642 1 15 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.149 0.098 18475 4643 1 15 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.469 -0.745 18475 4644 1 15 . 1 1 36 36 LEU CB C 36 41.981 41.981 40.952 1.029 18475 4645 1 15 . 1 1 36 36 LEU H H 36 7.974 7.974 7.629 0.345 18475 4646 1 15 . 1 1 37 37 ALA N N 37 120.690 120.690 119.154 1.536 18475 4647 1 15 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.003 0.140 18475 4648 1 15 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.414 0.028 18475 4649 1 15 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.479 0.519 18475 4650 1 15 . 1 1 37 37 ALA H H 37 8.215 8.215 8.485 -0.270 18475 4651 1 15 . 1 1 38 38 GLU N N 38 115.505 115.505 116.645 -1.140 18475 4652 1 15 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.260 0.031 18475 4653 1 15 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.879 0.109 18475 4654 1 15 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.828 0.011 18475 4655 1 15 . 1 1 38 38 GLU H H 38 7.982 7.982 7.541 0.441 18475 4656 1 15 . 1 1 39 39 LEU N N 39 119.888 119.888 119.740 0.148 18475 4657 1 15 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.042 0.227 18475 4658 1 15 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.958 -1.018 18475 4659 1 15 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.057 0.251 18475 4660 1 15 . 1 1 39 39 LEU H H 39 7.760 7.760 7.776 -0.016 18475 4661 1 15 . 1 1 40 40 GLY N N 40 105.788 105.788 103.943 1.845 18475 4662 1 15 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.784 -0.334 18475 4663 1 15 . 1 1 40 40 GLY H H 40 7.863 7.863 7.602 0.261 18475 4664 1 15 . 1 1 41 41 ALA N N 41 120.963 120.963 122.552 -1.589 18475 4665 1 15 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.629 -0.448 18475 4666 1 15 . 1 1 41 41 ALA CA C 41 54.089 54.089 52.525 1.564 18475 4667 1 15 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.385 0.036 18475 4668 1 15 . 1 1 41 41 ALA H H 41 7.956 7.956 8.261 -0.305 18475 4669 1 15 . 1 1 42 42 VAL N N 42 116.969 116.969 119.880 -2.911 18475 4670 1 15 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.240 -0.034 18475 4671 1 15 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.612 0.046 18475 4672 1 15 . 1 1 42 42 VAL CB C 42 32.330 32.330 33.971 -1.641 18475 4673 1 15 . 1 1 42 42 VAL H H 42 7.848 7.848 7.651 0.198 18475 4674 1 15 . 1 1 43 43 LEU N N 43 129.206 129.206 128.211 0.995 18475 4675 1 15 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.636 -0.165 18475 4676 1 15 . 1 1 43 43 LEU CA C 43 52.410 52.410 52.577 -0.167 18475 4677 1 15 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.453 0.751 18475 4678 1 15 . 1 1 43 43 LEU H H 43 8.764 8.764 8.264 0.500 18475 4679 1 15 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.529 -0.099 18475 4680 1 15 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.504 -0.078 18475 4681 1 15 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.217 -0.360 18475 4682 1 15 . 1 1 45 45 HIS N N 45 126.707 126.707 118.456 8.251 18475 4683 1 15 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.338 -0.321 18475 4684 1 15 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.408 1.339 18475 4685 1 15 . 1 1 45 45 HIS CB C 45 31.007 31.007 27.866 3.141 18475 4686 1 15 . 1 1 45 45 HIS H H 45 8.880 8.880 8.527 0.353 18475 4687 1 15 . 1 1 46 46 GLY N N 46 115.148 115.148 113.452 1.696 18475 4688 1 15 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.880 0.211 18475 4689 1 15 . 1 1 46 46 GLY H H 46 9.143 9.143 8.987 0.156 18475 4690 1 15 . 1 1 47 47 THR N N 47 117.455 117.455 118.494 -1.039 18475 4691 1 15 . 1 1 47 47 THR HA H 47 3.919 3.919 4.235 -0.316 18475 4692 1 15 . 1 1 47 47 THR CA C 47 65.329 65.329 62.975 2.354 18475 4693 1 15 . 1 1 47 47 THR CB C 47 70.171 70.171 69.567 0.604 18475 4694 1 15 . 1 1 47 47 THR H H 47 7.680 7.680 7.826 -0.146 18475 4695 1 15 . 1 1 48 48 ALA N N 48 131.425 131.425 131.320 0.105 18475 4696 1 15 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.586 -0.118 18475 4697 1 15 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.504 0.550 18475 4698 1 15 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.107 0.429 18475 4699 1 15 . 1 1 48 48 ALA H H 48 8.777 8.777 8.604 0.173 18475 4700 1 15 . 1 1 49 49 VAL N N 49 122.720 122.720 123.509 -0.789 18475 4701 1 15 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.492 -0.534 18475 4702 1 15 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.159 0.263 18475 4703 1 15 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.403 -0.429 18475 4704 1 15 . 1 1 49 49 VAL H H 49 8.564 8.564 7.920 0.644 18475 4705 1 15 . 1 1 50 50 GLU N N 50 129.105 129.105 124.472 4.633 18475 4706 1 15 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.431 -0.103 18475 4707 1 15 . 1 1 50 50 GLU CA C 50 55.869 55.869 54.761 1.108 18475 4708 1 15 . 1 1 50 50 GLU CB C 50 29.777 29.777 32.011 -2.235 18475 4709 1 15 . 1 1 50 50 GLU H H 50 9.632 9.632 8.529 1.103 18475 4710 1 15 . 1 1 51 51 LEU N N 51 126.085 126.085 125.810 0.275 18475 4711 1 15 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.677 0.267 18475 4712 1 15 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.687 -0.703 18475 4713 1 15 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.695 -0.776 18475 4714 1 15 . 1 1 51 51 LEU H H 51 8.474 8.474 8.402 0.072 18475 4715 1 15 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.487 0.005 18475 4716 1 15 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.616 -0.486 18475 4717 1 15 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.442 0.145 18475 4718 1 15 . 1 1 53 53 ASP N N 53 120.950 120.950 117.187 3.763 18475 4719 1 15 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.374 0.301 18475 4720 1 15 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.442 -0.322 18475 4721 1 15 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.018 0.472 18475 4722 1 15 . 1 1 53 53 ASP H H 53 8.737 8.737 8.671 0.066 18475 4723 1 15 . 1 1 54 54 VAL N N 54 121.459 121.459 118.110 3.349 18475 4724 1 15 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.336 -0.139 18475 4725 1 15 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.415 0.615 18475 4726 1 15 . 1 1 54 54 VAL CB C 54 33.327 33.327 33.965 -0.638 18475 4727 1 15 . 1 1 54 54 VAL H H 54 8.161 8.161 7.819 0.342 18475 4728 1 15 . 1 1 55 55 GLN N N 55 124.703 124.703 123.895 0.808 18475 4729 1 15 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.461 -0.030 18475 4730 1 15 . 1 1 55 55 GLN CA C 55 56.109 56.109 55.709 0.400 18475 4731 1 15 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.324 0.160 18475 4732 1 15 . 1 1 55 55 GLN H H 55 8.623 8.623 8.472 0.151 18475 4733 1 15 . 1 1 56 56 THR HA H 56 4.332 4.332 4.326 0.006 18475 4734 1 15 . 1 1 56 56 THR CA C 56 61.688 61.688 61.900 -0.212 18475 4735 1 15 . 1 1 56 56 THR CB C 56 69.969 69.969 68.836 1.133 18475 4736 1 15 . 1 1 57 57 ALA N N 57 127.534 127.534 124.574 2.960 18475 4737 1 15 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.842 -0.189 18475 4738 1 15 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.891 -0.319 18475 4739 1 15 . 1 1 57 57 ALA CB C 57 18.397 18.397 18.785 -0.388 18475 4740 1 15 . 1 1 57 57 ALA H H 57 8.277 8.277 8.000 0.277 18475 4741 1 15 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.433 0.051 18475 4742 1 15 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.730 -0.320 18475 4743 1 15 . 1 1 58 58 PRO CB C 58 32.030 32.030 32.501 -0.471 18475 4744 1 15 . 1 1 59 59 VAL N N 59 120.618 120.618 117.538 3.080 18475 4745 1 15 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.250 -0.183 18475 4746 1 15 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.295 1.101 18475 4747 1 15 . 1 1 59 59 VAL CB C 59 32.832 32.832 34.676 -1.845 18475 4748 1 15 . 1 1 59 59 VAL H H 59 8.219 8.219 7.815 0.404 18475 4749 1 15 . 1 1 60 60 ALA N N 60 127.858 127.858 126.724 1.134 18475 4750 1 15 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.170 0.152 18475 4751 1 15 . 1 1 60 60 ALA CA C 60 52.641 52.641 54.380 -1.740 18475 4752 1 15 . 1 1 60 60 ALA CB C 60 19.368 19.368 18.489 0.879 18475 4753 1 15 . 1 1 60 60 ALA H H 60 8.399 8.399 8.653 -0.254 18475 4754 1 15 . 1 1 61 61 GLU N N 61 120.215 120.215 115.729 4.486 18475 4755 1 15 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.267 0.038 18475 4756 1 15 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.849 -0.071 18475 4757 1 15 . 1 1 61 61 GLU CB C 61 30.357 30.357 30.331 0.026 18475 4758 1 15 . 1 1 61 61 GLU H H 61 8.405 8.405 8.546 -0.141 18475 4759 1 15 . 1 1 62 62 THR N N 62 115.392 115.392 110.403 4.989 18475 4760 1 15 . 1 1 62 62 THR HA H 62 4.327 4.327 4.481 -0.154 18475 4761 1 15 . 1 1 62 62 THR CA C 62 61.984 61.984 61.476 0.508 18475 4762 1 15 . 1 1 62 62 THR CB C 62 69.856 69.856 71.582 -1.726 18475 4763 1 15 . 1 1 62 62 THR H H 62 8.166 8.166 7.339 0.827 18475 4764 1 15 . 1 1 63 63 VAL N N 63 122.511 122.511 123.585 -1.074 18475 4765 1 15 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.074 -0.027 18475 4766 1 15 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.148 0.124 18475 4767 1 15 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.211 -0.358 18475 4768 1 15 . 1 1 63 63 VAL H H 63 8.099 8.099 8.242 -0.143 18475 4769 1 15 . 1 1 64 64 ASN N N 64 122.642 122.642 118.598 4.044 18475 4770 1 15 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.440 0.183 18475 4771 1 15 . 1 1 64 64 ASN CA C 64 52.901 52.901 54.066 -1.165 18475 4772 1 15 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.705 -0.164 18475 4773 1 15 . 1 1 64 64 ASN H H 64 8.471 8.471 7.910 0.561 18475 4774 1 15 . 1 1 65 65 LEU N N 65 123.365 123.365 120.747 2.618 18475 4775 1 15 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.453 -0.289 18475 4776 1 15 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.076 2.088 18475 4777 1 15 . 1 1 65 65 LEU CB C 65 41.989 41.989 43.165 -1.176 18475 4778 1 15 . 1 1 65 65 LEU H H 65 8.226 8.226 8.229 -0.003 18475 4779 1 15 . 1 1 66 66 TRP N N 66 119.270 119.270 122.115 -2.845 18475 4780 1 15 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.797 -0.153 18475 4781 1 15 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.516 0.302 18475 4782 1 15 . 1 1 66 66 TRP CB C 66 29.145 29.145 30.948 -1.803 18475 4783 1 15 . 1 1 66 66 TRP H H 66 7.886 7.886 8.434 -0.548 18475 4784 1 15 . 1 1 67 67 GLU N N 67 121.087 121.087 120.183 0.904 18475 4785 1 15 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.494 -0.270 18475 4786 1 15 . 1 1 67 67 GLU CA C 67 56.983 56.983 55.870 1.113 18475 4787 1 15 . 1 1 67 67 GLU CB C 67 30.211 30.211 28.315 1.896 18475 4788 1 15 . 1 1 67 67 GLU H H 67 7.982 7.982 8.211 -0.229 18475 4789 1 15 . 1 1 68 68 VAL N N 68 119.603 119.603 117.294 2.309 18475 4790 1 15 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.114 -0.127 18475 4791 1 15 . 1 1 68 68 VAL CA C 68 62.829 62.829 61.167 1.662 18475 4792 1 15 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.716 0.018 18475 4793 1 15 . 1 1 68 68 VAL H H 68 7.836 7.836 8.122 -0.286 18475 4794 1 15 . 1 1 69 69 GLU N N 69 122.754 122.754 118.206 4.548 18475 4795 1 15 . 1 1 69 69 GLU HA H 69 4.183 4.183 3.887 0.296 18475 4796 1 15 . 1 1 69 69 GLU CA C 69 56.886 56.886 57.044 -0.158 18475 4797 1 15 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.278 0.958 18475 4798 1 15 . 1 1 69 69 GLU H H 69 8.287 8.287 8.366 -0.079 18475 4799 1 15 . 1 1 70 70 HIS N N 70 119.727 119.727 117.213 2.514 18475 4800 1 15 . 1 1 70 70 HIS H H 70 8.145 8.145 7.856 0.289 18475 4801 1 16 . 1 1 2 2 LYS N N 2 125.102 125.102 125.309 -0.207 18475 4802 1 16 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.443 -0.653 18475 4803 1 16 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.771 0.578 18475 4804 1 16 . 1 1 2 2 LYS CB C 2 34.348 34.348 36.281 -1.933 18475 4805 1 16 . 1 1 2 2 LYS H H 2 8.576 8.576 8.246 0.330 18475 4806 1 16 . 1 1 3 3 THR N N 3 118.344 118.344 114.827 3.517 18475 4807 1 16 . 1 1 3 3 THR HA H 3 4.431 4.431 4.268 0.164 18475 4808 1 16 . 1 1 3 3 THR CA C 3 58.999 58.999 60.362 -1.363 18475 4809 1 16 . 1 1 3 3 THR CB C 3 70.310 70.310 70.025 0.285 18475 4810 1 16 . 1 1 3 3 THR H H 3 8.411 8.411 8.046 0.365 18475 4811 1 16 . 1 1 4 4 PHE N N 4 119.203 119.203 121.499 -2.296 18475 4812 1 16 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.746 0.519 18475 4813 1 16 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.286 -0.687 18475 4814 1 16 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.450 2.071 18475 4815 1 16 . 1 1 4 4 PHE H H 4 7.738 7.738 8.055 -0.317 18475 4816 1 16 . 1 1 5 5 ALA N N 5 125.356 125.356 126.844 -1.488 18475 4817 1 16 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.897 -0.573 18475 4818 1 16 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.099 1.615 18475 4819 1 16 . 1 1 5 5 ALA CB C 5 19.937 19.937 19.120 0.817 18475 4820 1 16 . 1 1 5 5 ALA H H 5 9.071 9.071 8.889 0.182 18475 4821 1 16 . 1 1 6 6 LEU N N 6 126.309 126.309 124.458 1.851 18475 4822 1 16 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.749 -0.241 18475 4823 1 16 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.573 0.824 18475 4824 1 16 . 1 1 6 6 LEU CB C 6 42.307 42.307 43.793 -1.486 18475 4825 1 16 . 1 1 6 6 LEU H H 6 9.657 9.657 8.015 1.642 18475 4826 1 16 . 1 1 7 7 GLN N N 7 119.930 119.930 121.379 -1.449 18475 4827 1 16 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.030 0.147 18475 4828 1 16 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.856 -0.346 18475 4829 1 16 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.528 -0.590 18475 4830 1 16 . 1 1 7 7 GLN H H 7 8.647 8.647 8.694 -0.047 18475 4831 1 16 . 1 1 8 8 GLY N N 8 117.081 117.081 112.956 4.125 18475 4832 1 16 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.430 -0.085 18475 4833 1 16 . 1 1 8 8 GLY H H 8 9.812 9.812 8.920 0.892 18475 4834 1 16 . 1 1 9 9 ASP N N 9 121.569 121.569 118.108 3.461 18475 4835 1 16 . 1 1 9 9 ASP HA H 9 4.659 4.659 5.008 -0.349 18475 4836 1 16 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.727 1.912 18475 4837 1 16 . 1 1 9 9 ASP CB C 9 42.127 42.127 42.236 -0.109 18475 4838 1 16 . 1 1 9 9 ASP H H 9 8.085 8.085 8.401 -0.316 18475 4839 1 16 . 1 1 10 10 THR N N 10 106.071 106.071 112.478 -6.407 18475 4840 1 16 . 1 1 10 10 THR HA H 10 4.984 4.984 4.321 0.663 18475 4841 1 16 . 1 1 10 10 THR CA C 10 58.309 58.309 61.111 -2.801 18475 4842 1 16 . 1 1 10 10 THR CB C 10 72.680 72.680 70.062 2.618 18475 4843 1 16 . 1 1 10 10 THR H H 10 6.920 6.920 7.447 -0.527 18475 4844 1 16 . 1 1 11 11 LEU N N 11 122.591 122.591 119.673 2.918 18475 4845 1 16 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.909 0.222 18475 4846 1 16 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.690 -0.363 18475 4847 1 16 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.236 0.186 18475 4848 1 16 . 1 1 11 11 LEU H H 11 9.621 9.621 8.478 1.143 18475 4849 1 16 . 1 1 12 12 ASP N N 12 118.388 118.388 118.919 -0.531 18475 4850 1 16 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.394 -0.253 18475 4851 1 16 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.130 0.679 18475 4852 1 16 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.212 0.253 18475 4853 1 16 . 1 1 12 12 ASP H H 12 8.561 8.561 8.089 0.472 18475 4854 1 16 . 1 1 13 13 ALA N N 13 121.142 121.142 121.001 0.141 18475 4855 1 16 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.281 -0.260 18475 4856 1 16 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.376 0.861 18475 4857 1 16 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.643 -1.134 18475 4858 1 16 . 1 1 13 13 ALA H H 13 7.870 7.870 7.596 0.274 18475 4859 1 16 . 1 1 14 14 ILE N N 14 119.983 119.983 119.928 0.055 18475 4860 1 16 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.654 -0.034 18475 4861 1 16 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.672 0.394 18475 4862 1 16 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.764 0.859 18475 4863 1 16 . 1 1 14 14 ILE H H 14 8.043 8.043 8.659 -0.616 18475 4864 1 16 . 1 1 15 15 CYS N N 15 117.727 117.727 117.124 0.603 18475 4865 1 16 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.430 0.047 18475 4866 1 16 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.235 1.186 18475 4867 1 16 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.148 0.221 18475 4868 1 16 . 1 1 15 15 CYS H H 15 8.477 8.477 8.632 -0.154 18475 4869 1 16 . 1 1 16 16 VAL N N 16 120.808 120.808 117.997 2.811 18475 4870 1 16 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.060 -0.742 18475 4871 1 16 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.748 1.850 18475 4872 1 16 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.412 -0.029 18475 4873 1 16 . 1 1 16 16 VAL H H 16 8.477 8.477 8.272 0.205 18475 4874 1 16 . 1 1 17 17 ARG N N 17 119.589 119.589 119.098 0.491 18475 4875 1 16 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.237 -0.301 18475 4876 1 16 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.719 1.465 18475 4877 1 16 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.695 -0.014 18475 4878 1 16 . 1 1 17 17 ARG H H 17 7.963 7.963 7.943 0.020 18475 4879 1 16 . 1 1 18 18 TYR N N 18 113.897 113.897 116.034 -2.137 18475 4880 1 16 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.465 -0.084 18475 4881 1 16 . 1 1 18 18 TYR CA C 18 61.111 61.111 59.878 1.233 18475 4882 1 16 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.158 0.853 18475 4883 1 16 . 1 1 18 18 TYR H H 18 7.833 7.833 8.245 -0.412 18475 4884 1 16 . 1 1 19 19 TYR N N 19 115.270 115.270 116.629 -1.359 18475 4885 1 16 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.626 0.119 18475 4886 1 16 . 1 1 19 19 TYR CA C 19 58.340 58.340 59.523 -1.183 18475 4887 1 16 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.224 0.666 18475 4888 1 16 . 1 1 19 19 TYR H H 19 8.936 8.936 7.813 1.123 18475 4889 1 16 . 1 1 20 20 GLY N N 20 108.099 108.099 105.785 2.314 18475 4890 1 16 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.247 0.553 18475 4891 1 16 . 1 1 20 20 GLY H H 20 7.921 7.921 8.585 -0.664 18475 4892 1 16 . 1 1 21 21 ARG N N 21 115.116 115.116 117.517 -2.401 18475 4893 1 16 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.644 0.089 18475 4894 1 16 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.711 0.009 18475 4895 1 16 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.307 -0.042 18475 4896 1 16 . 1 1 21 21 ARG H H 21 7.495 7.495 7.721 -0.226 18475 4897 1 16 . 1 1 22 22 THR N N 22 106.239 106.239 108.149 -1.910 18475 4898 1 16 . 1 1 22 22 THR HA H 22 4.320 4.320 4.425 -0.105 18475 4899 1 16 . 1 1 22 22 THR CA C 22 62.284 62.284 61.980 0.304 18475 4900 1 16 . 1 1 22 22 THR CB C 22 69.292 69.292 70.007 -0.715 18475 4901 1 16 . 1 1 22 22 THR H H 22 8.162 8.162 8.287 -0.125 18475 4902 1 16 . 1 1 23 23 GLU N N 23 126.964 126.964 122.234 4.730 18475 4903 1 16 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.045 0.120 18475 4904 1 16 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.056 1.696 18475 4905 1 16 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.334 0.646 18475 4906 1 16 . 1 1 23 23 GLU H H 23 8.543 8.543 8.209 0.334 18475 4907 1 16 . 1 1 24 24 GLY N N 24 115.618 115.618 113.046 2.572 18475 4908 1 16 . 1 1 24 24 GLY CA C 24 46.015 46.015 46.075 -0.060 18475 4909 1 16 . 1 1 24 24 GLY H H 24 9.112 9.112 8.622 0.490 18475 4910 1 16 . 1 1 25 25 VAL N N 25 118.084 118.084 118.804 -0.720 18475 4911 1 16 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.934 0.070 18475 4912 1 16 . 1 1 25 25 VAL CA C 25 63.479 63.479 64.415 -0.935 18475 4913 1 16 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.740 1.143 18475 4914 1 16 . 1 1 25 25 VAL H H 25 7.860 7.860 7.546 0.314 18475 4915 1 16 . 1 1 26 26 VAL N N 26 121.094 121.094 118.693 2.401 18475 4916 1 16 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.627 0.130 18475 4917 1 16 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.671 1.190 18475 4918 1 16 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.073 0.817 18475 4919 1 16 . 1 1 26 26 VAL H H 26 8.101 8.101 7.957 0.144 18475 4920 1 16 . 1 1 27 27 GLU N N 27 119.186 119.186 119.218 -0.032 18475 4921 1 16 . 1 1 27 27 GLU HA H 27 3.982 3.982 3.980 0.002 18475 4922 1 16 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.631 1.029 18475 4923 1 16 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.204 -0.748 18475 4924 1 16 . 1 1 27 27 GLU H H 27 8.910 8.910 8.627 0.283 18475 4925 1 16 . 1 1 28 28 THR N N 28 117.846 117.846 116.076 1.770 18475 4926 1 16 . 1 1 28 28 THR HA H 28 3.980 3.980 4.003 -0.023 18475 4927 1 16 . 1 1 28 28 THR CA C 28 66.119 66.119 66.376 -0.257 18475 4928 1 16 . 1 1 28 28 THR CB C 28 68.459 68.459 68.578 -0.119 18475 4929 1 16 . 1 1 28 28 THR H H 28 7.502 7.502 7.604 -0.102 18475 4930 1 16 . 1 1 29 29 VAL N N 29 123.919 123.919 121.835 2.084 18475 4931 1 16 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.651 -0.224 18475 4932 1 16 . 1 1 29 29 VAL CA C 29 67.399 67.399 65.918 1.481 18475 4933 1 16 . 1 1 29 29 VAL CB C 29 31.565 31.565 31.216 0.349 18475 4934 1 16 . 1 1 29 29 VAL H H 29 8.025 8.025 7.543 0.482 18475 4935 1 16 . 1 1 30 30 LEU N N 30 122.820 122.820 120.801 2.019 18475 4936 1 16 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.100 -0.125 18475 4937 1 16 . 1 1 30 30 LEU CA C 30 58.952 58.952 56.904 2.048 18475 4938 1 16 . 1 1 30 30 LEU CB C 30 41.460 41.460 40.784 0.676 18475 4939 1 16 . 1 1 30 30 LEU H H 30 8.971 8.971 7.662 1.309 18475 4940 1 16 . 1 1 31 31 ALA N N 31 120.021 120.021 120.140 -0.119 18475 4941 1 16 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.079 0.019 18475 4942 1 16 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.584 -0.013 18475 4943 1 16 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.560 -0.645 18475 4944 1 16 . 1 1 31 31 ALA H H 31 7.652 7.652 7.669 -0.017 18475 4945 1 16 . 1 1 32 32 ALA N N 32 117.285 117.285 118.788 -1.503 18475 4946 1 16 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.195 0.199 18475 4947 1 16 . 1 1 32 32 ALA CA C 32 52.024 52.024 52.969 -0.945 18475 4948 1 16 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.885 -0.518 18475 4949 1 16 . 1 1 32 32 ALA H H 32 7.278 7.278 7.672 -0.394 18475 4950 1 16 . 1 1 33 33 ASN N N 33 116.716 116.716 117.288 -0.572 18475 4951 1 16 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.164 0.022 18475 4952 1 16 . 1 1 33 33 ASN CA C 33 51.229 51.229 51.158 0.071 18475 4953 1 16 . 1 1 33 33 ASN CB C 33 42.413 42.413 39.882 2.531 18475 4954 1 16 . 1 1 33 33 ASN H H 33 7.536 7.536 7.779 -0.243 18475 4955 1 16 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.636 -0.149 18475 4956 1 16 . 1 1 34 34 PRO CA C 34 64.760 64.760 64.092 0.668 18475 4957 1 16 . 1 1 34 34 PRO CB C 34 31.414 31.414 31.989 -0.575 18475 4958 1 16 . 1 1 35 35 GLY N N 35 110.626 110.626 111.545 -0.919 18475 4959 1 16 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.023 0.617 18475 4960 1 16 . 1 1 35 35 GLY H H 35 8.911 8.911 8.419 0.492 18475 4961 1 16 . 1 1 36 36 LEU N N 36 121.614 121.614 123.231 -1.617 18475 4962 1 16 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.169 0.078 18475 4963 1 16 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.033 0.691 18475 4964 1 16 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.198 0.783 18475 4965 1 16 . 1 1 36 36 LEU H H 36 7.974 7.974 7.602 0.372 18475 4966 1 16 . 1 1 37 37 ALA N N 37 120.690 120.690 118.929 1.761 18475 4967 1 16 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.124 0.019 18475 4968 1 16 . 1 1 37 37 ALA CA C 37 54.442 54.442 53.977 0.465 18475 4969 1 16 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.303 0.695 18475 4970 1 16 . 1 1 37 37 ALA H H 37 8.215 8.215 8.335 -0.120 18475 4971 1 16 . 1 1 38 38 GLU N N 38 115.505 115.505 117.884 -2.379 18475 4972 1 16 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.186 0.105 18475 4973 1 16 . 1 1 38 38 GLU CA C 38 56.988 56.988 57.385 -0.397 18475 4974 1 16 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.811 0.029 18475 4975 1 16 . 1 1 38 38 GLU H H 38 7.982 7.982 7.551 0.431 18475 4976 1 16 . 1 1 39 39 LEU N N 39 119.888 119.888 119.843 0.045 18475 4977 1 16 . 1 1 39 39 LEU HA H 39 4.269 4.269 3.921 0.348 18475 4978 1 16 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.985 -1.045 18475 4979 1 16 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.195 0.113 18475 4980 1 16 . 1 1 39 39 LEU H H 39 7.760 7.760 7.376 0.384 18475 4981 1 16 . 1 1 40 40 GLY N N 40 105.788 105.788 105.767 0.021 18475 4982 1 16 . 1 1 40 40 GLY CA C 40 44.450 44.450 45.295 -0.845 18475 4983 1 16 . 1 1 40 40 GLY H H 40 7.863 7.863 7.898 -0.035 18475 4984 1 16 . 1 1 41 41 ALA N N 41 120.963 120.963 124.495 -3.532 18475 4985 1 16 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.283 -0.102 18475 4986 1 16 . 1 1 41 41 ALA CA C 41 54.089 54.089 51.991 2.098 18475 4987 1 16 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.475 -0.054 18475 4988 1 16 . 1 1 41 41 ALA H H 41 7.956 7.956 7.991 -0.035 18475 4989 1 16 . 1 1 42 42 VAL N N 42 116.969 116.969 118.452 -1.483 18475 4990 1 16 . 1 1 42 42 VAL HA H 42 4.206 4.206 3.933 0.273 18475 4991 1 16 . 1 1 42 42 VAL CA C 42 61.658 61.658 63.575 -1.917 18475 4992 1 16 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.526 -0.196 18475 4993 1 16 . 1 1 42 42 VAL H H 42 7.848 7.848 8.062 -0.214 18475 4994 1 16 . 1 1 43 43 LEU N N 43 129.206 129.206 127.811 1.395 18475 4995 1 16 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.632 -0.161 18475 4996 1 16 . 1 1 43 43 LEU CA C 43 52.410 52.410 51.997 0.413 18475 4997 1 16 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.632 0.572 18475 4998 1 16 . 1 1 43 43 LEU H H 43 8.764 8.764 8.351 0.413 18475 4999 1 16 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.505 -0.075 18475 5000 1 16 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.763 -0.337 18475 5001 1 16 . 1 1 44 44 PRO CB C 44 31.857 31.857 31.837 0.020 18475 5002 1 16 . 1 1 45 45 HIS N N 45 126.707 126.707 121.100 5.607 18475 5003 1 16 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.488 -0.471 18475 5004 1 16 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.652 1.095 18475 5005 1 16 . 1 1 45 45 HIS CB C 45 31.007 31.007 28.888 2.119 18475 5006 1 16 . 1 1 45 45 HIS H H 45 8.880 8.880 8.671 0.209 18475 5007 1 16 . 1 1 46 46 GLY N N 46 115.148 115.148 112.679 2.469 18475 5008 1 16 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.740 0.351 18475 5009 1 16 . 1 1 46 46 GLY H H 46 9.143 9.143 8.695 0.448 18475 5010 1 16 . 1 1 47 47 THR N N 47 117.455 117.455 120.850 -3.395 18475 5011 1 16 . 1 1 47 47 THR HA H 47 3.919 3.919 4.497 -0.578 18475 5012 1 16 . 1 1 47 47 THR CA C 47 65.329 65.329 62.344 2.985 18475 5013 1 16 . 1 1 47 47 THR CB C 47 70.171 70.171 68.901 1.270 18475 5014 1 16 . 1 1 47 47 THR H H 47 7.680 7.680 7.844 -0.164 18475 5015 1 16 . 1 1 48 48 ALA N N 48 131.425 131.425 130.878 0.547 18475 5016 1 16 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.668 -0.200 18475 5017 1 16 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.868 0.186 18475 5018 1 16 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.888 -0.352 18475 5019 1 16 . 1 1 48 48 ALA H H 48 8.777 8.777 8.678 0.100 18475 5020 1 16 . 1 1 49 49 VAL N N 49 122.720 122.720 121.090 1.630 18475 5021 1 16 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.234 -0.276 18475 5022 1 16 . 1 1 49 49 VAL CA C 49 61.422 61.422 60.380 1.042 18475 5023 1 16 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.567 -0.593 18475 5024 1 16 . 1 1 49 49 VAL H H 49 8.564 8.564 8.362 0.202 18475 5025 1 16 . 1 1 50 50 GLU N N 50 129.105 129.105 125.678 3.427 18475 5026 1 16 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.327 0.001 18475 5027 1 16 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.175 -0.306 18475 5028 1 16 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.903 -1.126 18475 5029 1 16 . 1 1 50 50 GLU H H 50 9.632 9.632 8.282 1.350 18475 5030 1 16 . 1 1 51 51 LEU N N 51 126.085 126.085 127.992 -1.907 18475 5031 1 16 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.820 0.124 18475 5032 1 16 . 1 1 51 51 LEU CA C 51 50.984 50.984 52.087 -1.103 18475 5033 1 16 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.760 -0.841 18475 5034 1 16 . 1 1 51 51 LEU H H 51 8.474 8.474 7.992 0.482 18475 5035 1 16 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.437 0.055 18475 5036 1 16 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.850 -0.720 18475 5037 1 16 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.373 0.214 18475 5038 1 16 . 1 1 53 53 ASP N N 53 120.950 120.950 120.064 0.886 18475 5039 1 16 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.456 0.219 18475 5040 1 16 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.368 -0.248 18475 5041 1 16 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.442 0.048 18475 5042 1 16 . 1 1 53 53 ASP H H 53 8.737 8.737 8.655 0.082 18475 5043 1 16 . 1 1 54 54 VAL N N 54 121.459 121.459 117.486 3.973 18475 5044 1 16 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.322 -0.125 18475 5045 1 16 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.313 0.717 18475 5046 1 16 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.265 -0.938 18475 5047 1 16 . 1 1 54 54 VAL H H 54 8.161 8.161 7.904 0.257 18475 5048 1 16 . 1 1 55 55 GLN N N 55 124.703 124.703 125.373 -0.670 18475 5049 1 16 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.605 -0.174 18475 5050 1 16 . 1 1 55 55 GLN CA C 55 56.109 56.109 54.869 1.240 18475 5051 1 16 . 1 1 55 55 GLN CB C 55 29.484 29.484 30.685 -1.201 18475 5052 1 16 . 1 1 55 55 GLN H H 55 8.623 8.623 8.480 0.143 18475 5053 1 16 . 1 1 56 56 THR HA H 56 4.332 4.332 4.176 0.156 18475 5054 1 16 . 1 1 56 56 THR CA C 56 61.688 61.688 63.378 -1.690 18475 5055 1 16 . 1 1 56 56 THR CB C 56 69.969 69.969 69.301 0.668 18475 5056 1 16 . 1 1 57 57 ALA N N 57 127.534 127.534 126.158 1.376 18475 5057 1 16 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.168 0.485 18475 5058 1 16 . 1 1 57 57 ALA CA C 57 50.572 50.572 51.840 -1.268 18475 5059 1 16 . 1 1 57 57 ALA CB C 57 18.397 18.397 17.853 0.544 18475 5060 1 16 . 1 1 57 57 ALA H H 57 8.277 8.277 8.374 -0.097 18475 5061 1 16 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.515 -0.031 18475 5062 1 16 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.374 0.036 18475 5063 1 16 . 1 1 58 58 PRO CB C 58 32.030 32.030 32.411 -0.381 18475 5064 1 16 . 1 1 59 59 VAL N N 59 120.618 120.618 118.499 2.119 18475 5065 1 16 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.276 -0.209 18475 5066 1 16 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.358 1.038 18475 5067 1 16 . 1 1 59 59 VAL CB C 59 32.832 32.832 33.566 -0.734 18475 5068 1 16 . 1 1 59 59 VAL H H 59 8.219 8.219 8.145 0.074 18475 5069 1 16 . 1 1 60 60 ALA N N 60 127.858 127.858 129.396 -1.538 18475 5070 1 16 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.310 0.012 18475 5071 1 16 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.367 0.274 18475 5072 1 16 . 1 1 60 60 ALA CB C 60 19.368 19.368 18.104 1.264 18475 5073 1 16 . 1 1 60 60 ALA H H 60 8.399 8.399 8.569 -0.170 18475 5074 1 16 . 1 1 61 61 GLU N N 61 120.215 120.215 121.172 -0.957 18475 5075 1 16 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.483 -0.178 18475 5076 1 16 . 1 1 61 61 GLU CA C 61 56.778 56.778 55.884 0.894 18475 5077 1 16 . 1 1 61 61 GLU CB C 61 30.357 30.357 32.379 -2.022 18475 5078 1 16 . 1 1 61 61 GLU H H 61 8.405 8.405 8.287 0.118 18475 5079 1 16 . 1 1 62 62 THR N N 62 115.392 115.392 114.700 0.692 18475 5080 1 16 . 1 1 62 62 THR HA H 62 4.327 4.327 4.359 -0.032 18475 5081 1 16 . 1 1 62 62 THR CA C 62 61.984 61.984 61.950 0.034 18475 5082 1 16 . 1 1 62 62 THR CB C 62 69.856 69.856 68.899 0.957 18475 5083 1 16 . 1 1 62 62 THR H H 62 8.166 8.166 8.330 -0.164 18475 5084 1 16 . 1 1 63 63 VAL N N 63 122.511 122.511 123.942 -1.431 18475 5085 1 16 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.207 -0.160 18475 5086 1 16 . 1 1 63 63 VAL CA C 63 62.272 62.272 61.195 1.077 18475 5087 1 16 . 1 1 63 63 VAL CB C 63 32.853 32.853 29.861 2.992 18475 5088 1 16 . 1 1 63 63 VAL H H 63 8.099 8.099 8.079 0.020 18475 5089 1 16 . 1 1 64 64 ASN N N 64 122.642 122.642 125.202 -2.560 18475 5090 1 16 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.794 -0.171 18475 5091 1 16 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.123 -0.222 18475 5092 1 16 . 1 1 64 64 ASN CB C 64 38.541 38.541 40.504 -1.963 18475 5093 1 16 . 1 1 64 64 ASN H H 64 8.471 8.471 7.892 0.579 18475 5094 1 16 . 1 1 65 65 LEU N N 65 123.365 123.365 119.318 4.047 18475 5095 1 16 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.458 -0.294 18475 5096 1 16 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.760 1.404 18475 5097 1 16 . 1 1 65 65 LEU CB C 65 41.989 41.989 42.787 -0.798 18475 5098 1 16 . 1 1 65 65 LEU H H 65 8.226 8.226 8.217 0.009 18475 5099 1 16 . 1 1 66 66 TRP N N 66 119.270 119.270 123.945 -4.675 18475 5100 1 16 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.816 -0.172 18475 5101 1 16 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.515 1.303 18475 5102 1 16 . 1 1 66 66 TRP CB C 66 29.145 29.145 30.234 -1.089 18475 5103 1 16 . 1 1 66 66 TRP H H 66 7.886 7.886 7.780 0.106 18475 5104 1 16 . 1 1 67 67 GLU N N 67 121.087 121.087 119.624 1.463 18475 5105 1 16 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.394 -0.170 18475 5106 1 16 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.495 0.488 18475 5107 1 16 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.586 -0.375 18475 5108 1 16 . 1 1 67 67 GLU H H 67 7.982 7.982 8.620 -0.638 18475 5109 1 16 . 1 1 68 68 VAL N N 68 119.603 119.603 120.501 -0.898 18475 5110 1 16 . 1 1 68 68 VAL HA H 68 3.987 3.987 3.834 0.153 18475 5111 1 16 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.971 -0.142 18475 5112 1 16 . 1 1 68 68 VAL CB C 68 32.734 32.734 30.779 1.955 18475 5113 1 16 . 1 1 68 68 VAL H H 68 7.836 7.836 7.968 -0.132 18475 5114 1 16 . 1 1 69 69 GLU N N 69 122.754 122.754 122.885 -0.131 18475 5115 1 16 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.627 -0.444 18475 5116 1 16 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.056 0.830 18475 5117 1 16 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.894 0.342 18475 5118 1 16 . 1 1 69 69 GLU H H 69 8.287 8.287 8.259 0.028 18475 5119 1 16 . 1 1 70 70 HIS N N 70 119.727 119.727 123.850 -4.123 18475 5120 1 16 . 1 1 70 70 HIS H H 70 8.145 8.145 8.605 -0.460 18475 5121 1 17 . 1 1 2 2 LYS N N 2 125.102 125.102 125.629 -0.527 18475 5122 1 17 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.473 -0.683 18475 5123 1 17 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.604 0.745 18475 5124 1 17 . 1 1 2 2 LYS CB C 2 34.348 34.348 36.062 -1.714 18475 5125 1 17 . 1 1 2 2 LYS H H 2 8.576 8.576 8.341 0.235 18475 5126 1 17 . 1 1 3 3 THR N N 3 118.344 118.344 115.413 2.931 18475 5127 1 17 . 1 1 3 3 THR HA H 3 4.431 4.431 4.304 0.127 18475 5128 1 17 . 1 1 3 3 THR CA C 3 58.999 58.999 59.852 -0.853 18475 5129 1 17 . 1 1 3 3 THR CB C 3 70.310 70.310 69.950 0.360 18475 5130 1 17 . 1 1 3 3 THR H H 3 8.411 8.411 8.120 0.291 18475 5131 1 17 . 1 1 4 4 PHE N N 4 119.203 119.203 122.859 -3.656 18475 5132 1 17 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.736 0.529 18475 5133 1 17 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.128 -0.529 18475 5134 1 17 . 1 1 4 4 PHE CB C 4 41.521 41.521 38.409 3.112 18475 5135 1 17 . 1 1 4 4 PHE H H 4 7.738 7.738 8.156 -0.418 18475 5136 1 17 . 1 1 5 5 ALA N N 5 125.356 125.356 128.784 -3.428 18475 5137 1 17 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.582 -0.258 18475 5138 1 17 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.791 0.923 18475 5139 1 17 . 1 1 5 5 ALA CB C 5 19.937 19.937 19.123 0.814 18475 5140 1 17 . 1 1 5 5 ALA H H 5 9.071 9.071 9.065 0.006 18475 5141 1 17 . 1 1 6 6 LEU N N 6 126.309 126.309 124.516 1.793 18475 5142 1 17 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.723 -0.215 18475 5143 1 17 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.300 1.097 18475 5144 1 17 . 1 1 6 6 LEU CB C 6 42.307 42.307 44.694 -2.387 18475 5145 1 17 . 1 1 6 6 LEU H H 6 9.657 9.657 8.112 1.545 18475 5146 1 17 . 1 1 7 7 GLN N N 7 119.930 119.930 120.036 -0.106 18475 5147 1 17 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.063 0.114 18475 5148 1 17 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.243 0.267 18475 5149 1 17 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.313 -0.375 18475 5150 1 17 . 1 1 7 7 GLN H H 7 8.647 8.647 8.691 -0.044 18475 5151 1 17 . 1 1 8 8 GLY N N 8 117.081 117.081 112.494 4.587 18475 5152 1 17 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.415 -0.070 18475 5153 1 17 . 1 1 8 8 GLY H H 8 9.812 9.812 8.958 0.854 18475 5154 1 17 . 1 1 9 9 ASP N N 9 121.569 121.569 119.446 2.123 18475 5155 1 17 . 1 1 9 9 ASP HA H 9 4.659 4.659 5.024 -0.365 18475 5156 1 17 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.673 1.966 18475 5157 1 17 . 1 1 9 9 ASP CB C 9 42.127 42.127 42.116 0.011 18475 5158 1 17 . 1 1 9 9 ASP H H 9 8.085 8.085 8.485 -0.400 18475 5159 1 17 . 1 1 10 10 THR N N 10 106.071 106.071 112.162 -6.091 18475 5160 1 17 . 1 1 10 10 THR HA H 10 4.984 4.984 4.346 0.638 18475 5161 1 17 . 1 1 10 10 THR CA C 10 58.309 58.309 60.855 -2.546 18475 5162 1 17 . 1 1 10 10 THR CB C 10 72.680 72.680 70.208 2.472 18475 5163 1 17 . 1 1 10 10 THR H H 10 6.920 6.920 7.384 -0.464 18475 5164 1 17 . 1 1 11 11 LEU N N 11 122.591 122.591 120.408 2.183 18475 5165 1 17 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.949 0.182 18475 5166 1 17 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.361 -0.035 18475 5167 1 17 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.331 0.091 18475 5168 1 17 . 1 1 11 11 LEU H H 11 9.621 9.621 8.568 1.053 18475 5169 1 17 . 1 1 12 12 ASP N N 12 118.388 118.388 118.642 -0.254 18475 5170 1 17 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.332 -0.191 18475 5171 1 17 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.069 0.740 18475 5172 1 17 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.844 -0.378 18475 5173 1 17 . 1 1 12 12 ASP H H 12 8.561 8.561 8.043 0.518 18475 5174 1 17 . 1 1 13 13 ALA N N 13 121.142 121.142 120.261 0.881 18475 5175 1 17 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.291 -0.270 18475 5176 1 17 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.080 1.157 18475 5177 1 17 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.455 -0.946 18475 5178 1 17 . 1 1 13 13 ALA H H 13 7.870 7.870 7.583 0.287 18475 5179 1 17 . 1 1 14 14 ILE N N 14 119.983 119.983 119.566 0.417 18475 5180 1 17 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.638 -0.018 18475 5181 1 17 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.973 0.093 18475 5182 1 17 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.906 0.717 18475 5183 1 17 . 1 1 14 14 ILE H H 14 8.043 8.043 8.532 -0.489 18475 5184 1 17 . 1 1 15 15 CYS N N 15 117.727 117.727 116.836 0.891 18475 5185 1 17 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.358 0.119 18475 5186 1 17 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.567 0.854 18475 5187 1 17 . 1 1 15 15 CYS CB C 15 26.368 26.368 27.169 -0.801 18475 5188 1 17 . 1 1 15 15 CYS H H 15 8.477 8.477 8.586 -0.109 18475 5189 1 17 . 1 1 16 16 VAL N N 16 120.808 120.808 119.641 1.167 18475 5190 1 17 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.001 -0.683 18475 5191 1 17 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.564 2.034 18475 5192 1 17 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.650 -0.267 18475 5193 1 17 . 1 1 16 16 VAL H H 16 8.477 8.477 8.124 0.353 18475 5194 1 17 . 1 1 17 17 ARG N N 17 119.589 119.589 119.517 0.072 18475 5195 1 17 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.207 -0.271 18475 5196 1 17 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.661 1.523 18475 5197 1 17 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.133 0.548 18475 5198 1 17 . 1 1 17 17 ARG H H 17 7.963 7.963 8.203 -0.240 18475 5199 1 17 . 1 1 18 18 TYR N N 18 113.897 113.897 118.117 -4.220 18475 5200 1 17 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.376 0.005 18475 5201 1 17 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.033 1.078 18475 5202 1 17 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.653 0.358 18475 5203 1 17 . 1 1 18 18 TYR H H 18 7.833 7.833 8.200 -0.367 18475 5204 1 17 . 1 1 19 19 TYR N N 19 115.270 115.270 115.874 -0.604 18475 5205 1 17 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.655 0.090 18475 5206 1 17 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.838 -0.498 18475 5207 1 17 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.284 0.606 18475 5208 1 17 . 1 1 19 19 TYR H H 19 8.936 8.936 7.617 1.319 18475 5209 1 17 . 1 1 20 20 GLY N N 20 108.099 108.099 106.605 1.494 18475 5210 1 17 . 1 1 20 20 GLY CA C 20 45.800 45.800 44.949 0.851 18475 5211 1 17 . 1 1 20 20 GLY H H 20 7.921 7.921 8.398 -0.477 18475 5212 1 17 . 1 1 21 21 ARG N N 21 115.116 115.116 117.249 -2.133 18475 5213 1 17 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.620 0.113 18475 5214 1 17 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.635 0.085 18475 5215 1 17 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.429 -0.164 18475 5216 1 17 . 1 1 21 21 ARG H H 21 7.495 7.495 7.844 -0.349 18475 5217 1 17 . 1 1 22 22 THR N N 22 106.239 106.239 108.945 -2.706 18475 5218 1 17 . 1 1 22 22 THR HA H 22 4.320 4.320 4.412 -0.092 18475 5219 1 17 . 1 1 22 22 THR CA C 22 62.284 62.284 61.989 0.295 18475 5220 1 17 . 1 1 22 22 THR CB C 22 69.292 69.292 69.708 -0.416 18475 5221 1 17 . 1 1 22 22 THR H H 22 8.162 8.162 8.338 -0.176 18475 5222 1 17 . 1 1 23 23 GLU N N 23 126.964 126.964 122.328 4.636 18475 5223 1 17 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.146 0.019 18475 5224 1 17 . 1 1 23 23 GLU CA C 23 58.752 58.752 56.455 2.297 18475 5225 1 17 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.883 0.097 18475 5226 1 17 . 1 1 23 23 GLU H H 23 8.543 8.543 8.188 0.355 18475 5227 1 17 . 1 1 24 24 GLY N N 24 115.618 115.618 113.780 1.838 18475 5228 1 17 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.419 0.596 18475 5229 1 17 . 1 1 24 24 GLY H H 24 9.112 9.112 8.721 0.391 18475 5230 1 17 . 1 1 25 25 VAL N N 25 118.084 118.084 120.344 -2.260 18475 5231 1 17 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.898 0.106 18475 5232 1 17 . 1 1 25 25 VAL CA C 25 63.479 63.479 64.384 -0.905 18475 5233 1 17 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.871 1.012 18475 5234 1 17 . 1 1 25 25 VAL H H 25 7.860 7.860 7.255 0.605 18475 5235 1 17 . 1 1 26 26 VAL N N 26 121.094 121.094 117.679 3.415 18475 5236 1 17 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.629 0.128 18475 5237 1 17 . 1 1 26 26 VAL CA C 26 66.861 66.861 66.308 0.553 18475 5238 1 17 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.446 0.444 18475 5239 1 17 . 1 1 26 26 VAL H H 26 8.101 8.101 7.527 0.574 18475 5240 1 17 . 1 1 27 27 GLU N N 27 119.186 119.186 119.203 -0.017 18475 5241 1 17 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.016 -0.034 18475 5242 1 17 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.421 1.239 18475 5243 1 17 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.140 -0.684 18475 5244 1 17 . 1 1 27 27 GLU H H 27 8.910 8.910 8.757 0.153 18475 5245 1 17 . 1 1 28 28 THR N N 28 117.846 117.846 116.882 0.964 18475 5246 1 17 . 1 1 28 28 THR HA H 28 3.980 3.980 4.024 -0.044 18475 5247 1 17 . 1 1 28 28 THR CA C 28 66.119 66.119 66.410 -0.291 18475 5248 1 17 . 1 1 28 28 THR CB C 28 68.459 68.459 68.788 -0.329 18475 5249 1 17 . 1 1 28 28 THR H H 28 7.502 7.502 7.707 -0.205 18475 5250 1 17 . 1 1 29 29 VAL N N 29 123.919 123.919 122.443 1.476 18475 5251 1 17 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.598 -0.171 18475 5252 1 17 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.392 1.006 18475 5253 1 17 . 1 1 29 29 VAL CB C 29 31.565 31.565 31.429 0.136 18475 5254 1 17 . 1 1 29 29 VAL H H 29 8.025 8.025 7.574 0.451 18475 5255 1 17 . 1 1 30 30 LEU N N 30 122.820 122.820 120.268 2.552 18475 5256 1 17 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.007 -0.032 18475 5257 1 17 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.893 1.059 18475 5258 1 17 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.729 -0.269 18475 5259 1 17 . 1 1 30 30 LEU H H 30 8.971 8.971 7.981 0.990 18475 5260 1 17 . 1 1 31 31 ALA N N 31 120.021 120.021 120.126 -0.105 18475 5261 1 17 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.016 0.082 18475 5262 1 17 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.535 0.036 18475 5263 1 17 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.092 -0.177 18475 5264 1 17 . 1 1 31 31 ALA H H 31 7.652 7.652 7.545 0.107 18475 5265 1 17 . 1 1 32 32 ALA N N 32 117.285 117.285 119.611 -2.326 18475 5266 1 17 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.173 0.221 18475 5267 1 17 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.147 -1.123 18475 5268 1 17 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.874 -0.507 18475 5269 1 17 . 1 1 32 32 ALA H H 32 7.278 7.278 7.585 -0.307 18475 5270 1 17 . 1 1 33 33 ASN N N 33 116.716 116.716 116.289 0.427 18475 5271 1 17 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.175 0.011 18475 5272 1 17 . 1 1 33 33 ASN CA C 33 51.229 51.229 51.057 0.172 18475 5273 1 17 . 1 1 33 33 ASN CB C 33 42.413 42.413 41.324 1.089 18475 5274 1 17 . 1 1 33 33 ASN H H 33 7.536 7.536 8.107 -0.571 18475 5275 1 17 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.582 -0.095 18475 5276 1 17 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.967 0.793 18475 5277 1 17 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.215 -0.801 18475 5278 1 17 . 1 1 35 35 GLY N N 35 110.626 110.626 110.674 -0.048 18475 5279 1 17 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.057 0.583 18475 5280 1 17 . 1 1 35 35 GLY H H 35 8.911 8.911 8.601 0.310 18475 5281 1 17 . 1 1 36 36 LEU N N 36 121.614 121.614 123.553 -1.939 18475 5282 1 17 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.161 0.086 18475 5283 1 17 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.531 -0.807 18475 5284 1 17 . 1 1 36 36 LEU CB C 36 41.981 41.981 40.948 1.033 18475 5285 1 17 . 1 1 36 36 LEU H H 36 7.974 7.974 7.610 0.364 18475 5286 1 17 . 1 1 37 37 ALA N N 37 120.690 120.690 120.183 0.507 18475 5287 1 17 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.039 0.104 18475 5288 1 17 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.666 -0.224 18475 5289 1 17 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.269 0.729 18475 5290 1 17 . 1 1 37 37 ALA H H 37 8.215 8.215 8.396 -0.181 18475 5291 1 17 . 1 1 38 38 GLU N N 38 115.505 115.505 116.978 -1.473 18475 5292 1 17 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.199 0.092 18475 5293 1 17 . 1 1 38 38 GLU CA C 38 56.988 56.988 57.326 -0.338 18475 5294 1 17 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.620 0.219 18475 5295 1 17 . 1 1 38 38 GLU H H 38 7.982 7.982 7.608 0.374 18475 5296 1 17 . 1 1 39 39 LEU N N 39 119.888 119.888 119.876 0.012 18475 5297 1 17 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.033 0.236 18475 5298 1 17 . 1 1 39 39 LEU CA C 39 55.940 55.940 57.185 -1.245 18475 5299 1 17 . 1 1 39 39 LEU CB C 39 42.308 42.308 41.708 0.600 18475 5300 1 17 . 1 1 39 39 LEU H H 39 7.760 7.760 7.769 -0.009 18475 5301 1 17 . 1 1 40 40 GLY N N 40 105.788 105.788 105.960 -0.172 18475 5302 1 17 . 1 1 40 40 GLY CA C 40 44.450 44.450 45.298 -0.848 18475 5303 1 17 . 1 1 40 40 GLY H H 40 7.863 7.863 8.208 -0.345 18475 5304 1 17 . 1 1 41 41 ALA N N 41 120.963 120.963 124.624 -3.661 18475 5305 1 17 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.298 -0.117 18475 5306 1 17 . 1 1 41 41 ALA CA C 41 54.089 54.089 51.812 2.277 18475 5307 1 17 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.536 -0.115 18475 5308 1 17 . 1 1 41 41 ALA H H 41 7.956 7.956 8.034 -0.078 18475 5309 1 17 . 1 1 42 42 VAL N N 42 116.969 116.969 120.137 -3.168 18475 5310 1 17 . 1 1 42 42 VAL HA H 42 4.206 4.206 3.949 0.257 18475 5311 1 17 . 1 1 42 42 VAL CA C 42 61.658 61.658 62.442 -0.784 18475 5312 1 17 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.543 -0.213 18475 5313 1 17 . 1 1 42 42 VAL H H 42 7.848 7.848 8.061 -0.213 18475 5314 1 17 . 1 1 43 43 LEU N N 43 129.206 129.206 129.158 0.048 18475 5315 1 17 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.288 0.183 18475 5316 1 17 . 1 1 43 43 LEU CA C 43 52.410 52.410 54.641 -2.231 18475 5317 1 17 . 1 1 43 43 LEU CB C 43 42.204 42.204 40.773 1.431 18475 5318 1 17 . 1 1 43 43 LEU H H 43 8.764 8.764 8.415 0.349 18475 5319 1 17 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.511 -0.081 18475 5320 1 17 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.771 -0.345 18475 5321 1 17 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.218 -0.361 18475 5322 1 17 . 1 1 45 45 HIS N N 45 126.707 126.707 119.493 7.214 18475 5323 1 17 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.808 -0.791 18475 5324 1 17 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.076 1.671 18475 5325 1 17 . 1 1 45 45 HIS CB C 45 31.007 31.007 29.347 1.660 18475 5326 1 17 . 1 1 45 45 HIS H H 45 8.880 8.880 8.431 0.450 18475 5327 1 17 . 1 1 46 46 GLY N N 46 115.148 115.148 112.878 2.270 18475 5328 1 17 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.727 0.364 18475 5329 1 17 . 1 1 46 46 GLY H H 46 9.143 9.143 8.903 0.240 18475 5330 1 17 . 1 1 47 47 THR N N 47 117.455 117.455 120.153 -2.698 18475 5331 1 17 . 1 1 47 47 THR HA H 47 3.919 3.919 4.443 -0.524 18475 5332 1 17 . 1 1 47 47 THR CA C 47 65.329 65.329 62.903 2.426 18475 5333 1 17 . 1 1 47 47 THR CB C 47 70.171 70.171 69.410 0.761 18475 5334 1 17 . 1 1 47 47 THR H H 47 7.680 7.680 7.605 0.075 18475 5335 1 17 . 1 1 48 48 ALA N N 48 131.425 131.425 130.962 0.463 18475 5336 1 17 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.716 -0.248 18475 5337 1 17 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.512 0.542 18475 5338 1 17 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.824 -0.288 18475 5339 1 17 . 1 1 48 48 ALA H H 48 8.777 8.777 8.741 0.036 18475 5340 1 17 . 1 1 49 49 VAL N N 49 122.720 122.720 122.695 0.025 18475 5341 1 17 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.278 -0.320 18475 5342 1 17 . 1 1 49 49 VAL CA C 49 61.422 61.422 59.993 1.429 18475 5343 1 17 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.038 -0.064 18475 5344 1 17 . 1 1 49 49 VAL H H 49 8.564 8.564 8.378 0.186 18475 5345 1 17 . 1 1 50 50 GLU N N 50 129.105 129.105 127.098 2.007 18475 5346 1 17 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.214 0.114 18475 5347 1 17 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.555 -0.686 18475 5348 1 17 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.050 -0.273 18475 5349 1 17 . 1 1 50 50 GLU H H 50 9.632 9.632 8.673 0.959 18475 5350 1 17 . 1 1 51 51 LEU N N 51 126.085 126.085 128.132 -2.047 18475 5351 1 17 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.772 0.172 18475 5352 1 17 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.767 -0.782 18475 5353 1 17 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.538 -0.619 18475 5354 1 17 . 1 1 51 51 LEU H H 51 8.474 8.474 8.013 0.461 18475 5355 1 17 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.445 0.047 18475 5356 1 17 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.987 -0.857 18475 5357 1 17 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.232 0.355 18475 5358 1 17 . 1 1 53 53 ASP N N 53 120.950 120.950 118.252 2.698 18475 5359 1 17 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.362 0.313 18475 5360 1 17 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.154 -0.034 18475 5361 1 17 . 1 1 53 53 ASP CB C 53 40.490 40.490 39.835 0.655 18475 5362 1 17 . 1 1 53 53 ASP H H 53 8.737 8.737 8.541 0.196 18475 5363 1 17 . 1 1 54 54 VAL N N 54 121.459 121.459 118.112 3.347 18475 5364 1 17 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.383 -0.186 18475 5365 1 17 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.039 0.991 18475 5366 1 17 . 1 1 54 54 VAL CB C 54 33.327 33.327 33.789 -0.462 18475 5367 1 17 . 1 1 54 54 VAL H H 54 8.161 8.161 8.163 -0.002 18475 5368 1 17 . 1 1 55 55 GLN N N 55 124.703 124.703 121.163 3.540 18475 5369 1 17 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.066 0.365 18475 5370 1 17 . 1 1 55 55 GLN CA C 55 56.109 56.109 56.983 -0.874 18475 5371 1 17 . 1 1 55 55 GLN CB C 55 29.484 29.484 27.851 1.633 18475 5372 1 17 . 1 1 55 55 GLN H H 55 8.623 8.623 8.942 -0.319 18475 5373 1 17 . 1 1 56 56 THR HA H 56 4.332 4.332 4.294 0.038 18475 5374 1 17 . 1 1 56 56 THR CA C 56 61.688 61.688 63.355 -1.667 18475 5375 1 17 . 1 1 56 56 THR CB C 56 69.969 69.969 67.524 2.445 18475 5376 1 17 . 1 1 57 57 ALA N N 57 127.534 127.534 125.598 1.936 18475 5377 1 17 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.741 -0.088 18475 5378 1 17 . 1 1 57 57 ALA CA C 57 50.572 50.572 49.817 0.755 18475 5379 1 17 . 1 1 57 57 ALA CB C 57 18.397 18.397 19.881 -1.484 18475 5380 1 17 . 1 1 57 57 ALA H H 57 8.277 8.277 7.855 0.422 18475 5381 1 17 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.607 -0.123 18475 5382 1 17 . 1 1 58 58 PRO CA C 58 62.410 62.410 63.020 -0.610 18475 5383 1 17 . 1 1 58 58 PRO CB C 58 32.030 32.030 31.512 0.518 18475 5384 1 17 . 1 1 59 59 VAL N N 59 120.618 120.618 121.624 -1.006 18475 5385 1 17 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.378 -0.311 18475 5386 1 17 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.286 1.110 18475 5387 1 17 . 1 1 59 59 VAL CB C 59 32.832 32.832 33.150 -0.318 18475 5388 1 17 . 1 1 59 59 VAL H H 59 8.219 8.219 8.235 -0.016 18475 5389 1 17 . 1 1 60 60 ALA N N 60 127.858 127.858 122.770 5.088 18475 5390 1 17 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.663 -0.341 18475 5391 1 17 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.037 0.604 18475 5392 1 17 . 1 1 60 60 ALA CB C 60 19.368 19.368 18.953 0.415 18475 5393 1 17 . 1 1 60 60 ALA H H 60 8.399 8.399 8.885 -0.486 18475 5394 1 17 . 1 1 61 61 GLU N N 61 120.215 120.215 118.502 1.713 18475 5395 1 17 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.408 -0.103 18475 5396 1 17 . 1 1 61 61 GLU CA C 61 56.778 56.778 55.374 1.404 18475 5397 1 17 . 1 1 61 61 GLU CB C 61 30.357 30.357 30.566 -0.209 18475 5398 1 17 . 1 1 61 61 GLU H H 61 8.405 8.405 8.186 0.219 18475 5399 1 17 . 1 1 62 62 THR N N 62 115.392 115.392 113.855 1.537 18475 5400 1 17 . 1 1 62 62 THR HA H 62 4.327 4.327 4.589 -0.262 18475 5401 1 17 . 1 1 62 62 THR CA C 62 61.984 61.984 62.166 -0.182 18475 5402 1 17 . 1 1 62 62 THR CB C 62 69.856 69.856 68.954 0.902 18475 5403 1 17 . 1 1 62 62 THR H H 62 8.166 8.166 8.372 -0.206 18475 5404 1 17 . 1 1 63 63 VAL N N 63 122.511 122.511 125.493 -2.982 18475 5405 1 17 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.053 -0.006 18475 5406 1 17 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.037 0.235 18475 5407 1 17 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.587 -0.734 18475 5408 1 17 . 1 1 63 63 VAL H H 63 8.099 8.099 7.985 0.114 18475 5409 1 17 . 1 1 64 64 ASN N N 64 122.642 122.642 119.844 2.798 18475 5410 1 17 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.036 0.587 18475 5411 1 17 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.420 -0.519 18475 5412 1 17 . 1 1 64 64 ASN CB C 64 38.541 38.541 36.972 1.569 18475 5413 1 17 . 1 1 64 64 ASN H H 64 8.471 8.471 8.333 0.138 18475 5414 1 17 . 1 1 65 65 LEU N N 65 123.365 123.365 120.091 3.274 18475 5415 1 17 . 1 1 65 65 LEU HA H 65 4.164 4.164 3.988 0.176 18475 5416 1 17 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.995 1.169 18475 5417 1 17 . 1 1 65 65 LEU CB C 65 41.989 41.989 40.746 1.243 18475 5418 1 17 . 1 1 65 65 LEU H H 65 8.226 8.226 7.923 0.303 18475 5419 1 17 . 1 1 66 66 TRP N N 66 119.270 119.270 126.836 -7.566 18475 5420 1 17 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.452 0.192 18475 5421 1 17 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.533 0.285 18475 5422 1 17 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.849 -0.703 18475 5423 1 17 . 1 1 66 66 TRP H H 66 7.886 7.886 7.623 0.263 18475 5424 1 17 . 1 1 67 67 GLU N N 67 121.087 121.087 121.852 -0.765 18475 5425 1 17 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.363 -0.139 18475 5426 1 17 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.321 0.662 18475 5427 1 17 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.482 -0.271 18475 5428 1 17 . 1 1 67 67 GLU H H 67 7.982 7.982 8.787 -0.805 18475 5429 1 17 . 1 1 68 68 VAL N N 68 119.603 119.603 117.954 1.649 18475 5430 1 17 . 1 1 68 68 VAL HA H 68 3.987 3.987 3.842 0.145 18475 5431 1 17 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.879 -0.050 18475 5432 1 17 . 1 1 68 68 VAL CB C 68 32.734 32.734 30.614 2.120 18475 5433 1 17 . 1 1 68 68 VAL H H 68 7.836 7.836 8.233 -0.397 18475 5434 1 17 . 1 1 69 69 GLU N N 69 122.754 122.754 121.648 1.106 18475 5435 1 17 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.500 -0.317 18475 5436 1 17 . 1 1 69 69 GLU CA C 69 56.886 56.886 55.878 1.008 18475 5437 1 17 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.319 0.917 18475 5438 1 17 . 1 1 69 69 GLU H H 69 8.287 8.287 8.276 0.011 18475 5439 1 17 . 1 1 70 70 HIS N N 70 119.727 119.727 121.959 -2.232 18475 5440 1 17 . 1 1 70 70 HIS H H 70 8.145 8.145 8.936 -0.791 18475 5441 1 18 . 1 1 2 2 LYS N N 2 125.102 125.102 118.927 6.175 18475 5442 1 18 . 1 1 2 2 LYS HA H 2 4.790 4.790 4.968 -0.178 18475 5443 1 18 . 1 1 2 2 LYS CA C 2 55.349 55.349 55.459 -0.110 18475 5444 1 18 . 1 1 2 2 LYS CB C 2 34.348 34.348 33.959 0.389 18475 5445 1 18 . 1 1 2 2 LYS H H 2 8.576 8.576 7.725 0.851 18475 5446 1 18 . 1 1 3 3 THR N N 3 118.344 118.344 115.071 3.273 18475 5447 1 18 . 1 1 3 3 THR HA H 3 4.431 4.431 4.268 0.163 18475 5448 1 18 . 1 1 3 3 THR CA C 3 58.999 58.999 60.111 -1.112 18475 5449 1 18 . 1 1 3 3 THR CB C 3 70.310 70.310 70.356 -0.046 18475 5450 1 18 . 1 1 3 3 THR H H 3 8.411 8.411 8.248 0.163 18475 5451 1 18 . 1 1 4 4 PHE N N 4 119.203 119.203 123.049 -3.846 18475 5452 1 18 . 1 1 4 4 PHE HA H 4 5.265 5.265 5.019 0.246 18475 5453 1 18 . 1 1 4 4 PHE CA C 4 55.599 55.599 55.440 0.159 18475 5454 1 18 . 1 1 4 4 PHE CB C 4 41.521 41.521 38.567 2.954 18475 5455 1 18 . 1 1 4 4 PHE H H 4 7.738 7.738 8.054 -0.316 18475 5456 1 18 . 1 1 5 5 ALA N N 5 125.356 125.356 127.992 -2.636 18475 5457 1 18 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.621 -0.297 18475 5458 1 18 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.617 1.097 18475 5459 1 18 . 1 1 5 5 ALA CB C 5 19.937 19.937 20.201 -0.264 18475 5460 1 18 . 1 1 5 5 ALA H H 5 9.071 9.071 8.962 0.109 18475 5461 1 18 . 1 1 6 6 LEU N N 6 126.309 126.309 123.913 2.396 18475 5462 1 18 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.748 -0.240 18475 5463 1 18 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.369 1.028 18475 5464 1 18 . 1 1 6 6 LEU CB C 6 42.307 42.307 44.373 -2.066 18475 5465 1 18 . 1 1 6 6 LEU H H 6 9.657 9.657 8.208 1.449 18475 5466 1 18 . 1 1 7 7 GLN N N 7 119.930 119.930 121.445 -1.515 18475 5467 1 18 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.093 0.084 18475 5468 1 18 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.896 -0.386 18475 5469 1 18 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.861 -0.923 18475 5470 1 18 . 1 1 7 7 GLN H H 7 8.647 8.647 8.795 -0.148 18475 5471 1 18 . 1 1 8 8 GLY N N 8 117.081 117.081 114.274 2.807 18475 5472 1 18 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.788 -0.443 18475 5473 1 18 . 1 1 8 8 GLY H H 8 9.812 9.812 9.039 0.773 18475 5474 1 18 . 1 1 9 9 ASP N N 9 121.569 121.569 119.202 2.367 18475 5475 1 18 . 1 1 9 9 ASP HA H 9 4.659 4.659 5.009 -0.350 18475 5476 1 18 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.297 2.342 18475 5477 1 18 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.654 0.473 18475 5478 1 18 . 1 1 9 9 ASP H H 9 8.085 8.085 8.359 -0.274 18475 5479 1 18 . 1 1 10 10 THR N N 10 106.071 106.071 109.921 -3.850 18475 5480 1 18 . 1 1 10 10 THR HA H 10 4.984 4.984 4.308 0.676 18475 5481 1 18 . 1 1 10 10 THR CA C 10 58.309 58.309 61.139 -2.830 18475 5482 1 18 . 1 1 10 10 THR CB C 10 72.680 72.680 70.424 2.256 18475 5483 1 18 . 1 1 10 10 THR H H 10 6.920 6.920 7.515 -0.595 18475 5484 1 18 . 1 1 11 11 LEU N N 11 122.591 122.591 120.737 1.854 18475 5485 1 18 . 1 1 11 11 LEU HA H 11 4.131 4.131 4.011 0.120 18475 5486 1 18 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.359 -0.032 18475 5487 1 18 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.646 -0.224 18475 5488 1 18 . 1 1 11 11 LEU H H 11 9.621 9.621 8.699 0.922 18475 5489 1 18 . 1 1 12 12 ASP N N 12 118.388 118.388 119.723 -1.335 18475 5490 1 18 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.379 -0.238 18475 5491 1 18 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.156 0.653 18475 5492 1 18 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.733 -0.267 18475 5493 1 18 . 1 1 12 12 ASP H H 12 8.561 8.561 7.917 0.644 18475 5494 1 18 . 1 1 13 13 ALA N N 13 121.142 121.142 120.943 0.199 18475 5495 1 18 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.331 -0.310 18475 5496 1 18 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.263 0.974 18475 5497 1 18 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.516 -1.007 18475 5498 1 18 . 1 1 13 13 ALA H H 13 7.870 7.870 7.630 0.240 18475 5499 1 18 . 1 1 14 14 ILE N N 14 119.983 119.983 119.896 0.087 18475 5500 1 18 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.681 -0.061 18475 5501 1 18 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.823 0.243 18475 5502 1 18 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.804 0.819 18475 5503 1 18 . 1 1 14 14 ILE H H 14 8.043 8.043 8.734 -0.691 18475 5504 1 18 . 1 1 15 15 CYS N N 15 117.727 117.727 116.449 1.278 18475 5505 1 18 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.404 0.073 18475 5506 1 18 . 1 1 15 15 CYS CA C 15 65.421 65.421 63.624 1.797 18475 5507 1 18 . 1 1 15 15 CYS CB C 15 26.368 26.368 25.971 0.397 18475 5508 1 18 . 1 1 15 15 CYS H H 15 8.477 8.477 8.256 0.221 18475 5509 1 18 . 1 1 16 16 VAL N N 16 120.808 120.808 120.129 0.679 18475 5510 1 18 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.885 -0.567 18475 5511 1 18 . 1 1 16 16 VAL CA C 16 67.598 67.598 66.153 1.445 18475 5512 1 18 . 1 1 16 16 VAL CB C 16 31.383 31.383 32.059 -0.676 18475 5513 1 18 . 1 1 16 16 VAL H H 16 8.477 8.477 7.890 0.587 18475 5514 1 18 . 1 1 17 17 ARG N N 17 119.589 119.589 119.032 0.557 18475 5515 1 18 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.044 -0.108 18475 5516 1 18 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.518 1.666 18475 5517 1 18 . 1 1 17 17 ARG CB C 17 30.681 30.681 29.621 1.060 18475 5518 1 18 . 1 1 17 17 ARG H H 17 7.963 7.963 8.411 -0.448 18475 5519 1 18 . 1 1 18 18 TYR N N 18 113.897 113.897 116.222 -2.325 18475 5520 1 18 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.300 0.081 18475 5521 1 18 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.374 0.737 18475 5522 1 18 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.774 0.237 18475 5523 1 18 . 1 1 18 18 TYR H H 18 7.833 7.833 7.961 -0.128 18475 5524 1 18 . 1 1 19 19 TYR N N 19 115.270 115.270 113.346 1.924 18475 5525 1 18 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.605 0.140 18475 5526 1 18 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.309 0.031 18475 5527 1 18 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.976 -0.086 18475 5528 1 18 . 1 1 19 19 TYR H H 19 8.936 8.936 7.721 1.215 18475 5529 1 18 . 1 1 20 20 GLY N N 20 108.099 108.099 105.951 2.148 18475 5530 1 18 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.151 0.649 18475 5531 1 18 . 1 1 20 20 GLY H H 20 7.921 7.921 8.292 -0.371 18475 5532 1 18 . 1 1 21 21 ARG N N 21 115.116 115.116 117.397 -2.281 18475 5533 1 18 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.657 0.076 18475 5534 1 18 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.542 0.178 18475 5535 1 18 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.519 -0.254 18475 5536 1 18 . 1 1 21 21 ARG H H 21 7.495 7.495 7.814 -0.319 18475 5537 1 18 . 1 1 22 22 THR N N 22 106.239 106.239 108.830 -2.591 18475 5538 1 18 . 1 1 22 22 THR HA H 22 4.320 4.320 4.472 -0.152 18475 5539 1 18 . 1 1 22 22 THR CA C 22 62.284 62.284 62.530 -0.246 18475 5540 1 18 . 1 1 22 22 THR CB C 22 69.292 69.292 69.569 -0.277 18475 5541 1 18 . 1 1 22 22 THR H H 22 8.162 8.162 8.355 -0.193 18475 5542 1 18 . 1 1 23 23 GLU N N 23 126.964 126.964 122.581 4.383 18475 5543 1 18 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.183 -0.018 18475 5544 1 18 . 1 1 23 23 GLU CA C 23 58.752 58.752 56.691 2.061 18475 5545 1 18 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.783 0.197 18475 5546 1 18 . 1 1 23 23 GLU H H 23 8.543 8.543 8.086 0.457 18475 5547 1 18 . 1 1 24 24 GLY N N 24 115.618 115.618 114.938 0.680 18475 5548 1 18 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.643 0.372 18475 5549 1 18 . 1 1 24 24 GLY H H 24 9.112 9.112 8.469 0.643 18475 5550 1 18 . 1 1 25 25 VAL N N 25 118.084 118.084 120.060 -1.976 18475 5551 1 18 . 1 1 25 25 VAL HA H 25 4.004 4.004 4.180 -0.176 18475 5552 1 18 . 1 1 25 25 VAL CA C 25 63.479 63.479 62.416 1.063 18475 5553 1 18 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.397 1.486 18475 5554 1 18 . 1 1 25 25 VAL H H 25 7.860 7.860 7.377 0.483 18475 5555 1 18 . 1 1 26 26 VAL N N 26 121.094 121.094 118.263 2.831 18475 5556 1 18 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.711 0.046 18475 5557 1 18 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.917 0.944 18475 5558 1 18 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.875 1.015 18475 5559 1 18 . 1 1 26 26 VAL H H 26 8.101 8.101 7.856 0.245 18475 5560 1 18 . 1 1 27 27 GLU N N 27 119.186 119.186 119.311 -0.125 18475 5561 1 18 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.068 -0.086 18475 5562 1 18 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.504 1.157 18475 5563 1 18 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.092 -0.636 18475 5564 1 18 . 1 1 27 27 GLU H H 27 8.910 8.910 8.813 0.097 18475 5565 1 18 . 1 1 28 28 THR N N 28 117.846 117.846 116.958 0.888 18475 5566 1 18 . 1 1 28 28 THR HA H 28 3.980 3.980 4.004 -0.024 18475 5567 1 18 . 1 1 28 28 THR CA C 28 66.119 66.119 66.328 -0.209 18475 5568 1 18 . 1 1 28 28 THR CB C 28 68.459 68.459 68.282 0.177 18475 5569 1 18 . 1 1 28 28 THR H H 28 7.502 7.502 7.703 -0.201 18475 5570 1 18 . 1 1 29 29 VAL N N 29 123.919 123.919 121.549 2.370 18475 5571 1 18 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.617 -0.190 18475 5572 1 18 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.488 0.911 18475 5573 1 18 . 1 1 29 29 VAL CB C 29 31.565 31.565 31.036 0.529 18475 5574 1 18 . 1 1 29 29 VAL H H 29 8.025 8.025 7.429 0.596 18475 5575 1 18 . 1 1 30 30 LEU N N 30 122.820 122.820 120.906 1.914 18475 5576 1 18 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.967 0.008 18475 5577 1 18 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.941 1.011 18475 5578 1 18 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.667 -0.207 18475 5579 1 18 . 1 1 30 30 LEU H H 30 8.971 8.971 7.765 1.206 18475 5580 1 18 . 1 1 31 31 ALA N N 31 120.021 120.021 120.089 -0.068 18475 5581 1 18 . 1 1 31 31 ALA HA H 31 4.098 4.098 3.946 0.152 18475 5582 1 18 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.694 -0.123 18475 5583 1 18 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.451 -0.536 18475 5584 1 18 . 1 1 31 31 ALA H H 31 7.652 7.652 7.644 0.008 18475 5585 1 18 . 1 1 32 32 ALA N N 32 117.285 117.285 120.006 -2.721 18475 5586 1 18 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.147 0.247 18475 5587 1 18 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.355 -1.331 18475 5588 1 18 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.788 -0.421 18475 5589 1 18 . 1 1 32 32 ALA H H 32 7.278 7.278 7.651 -0.373 18475 5590 1 18 . 1 1 33 33 ASN N N 33 116.716 116.716 116.686 0.030 18475 5591 1 18 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.128 0.058 18475 5592 1 18 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.821 0.408 18475 5593 1 18 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.093 2.320 18475 5594 1 18 . 1 1 33 33 ASN H H 33 7.536 7.536 8.122 -0.586 18475 5595 1 18 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.588 -0.101 18475 5596 1 18 . 1 1 34 34 PRO CA C 34 64.760 64.760 64.182 0.578 18475 5597 1 18 . 1 1 34 34 PRO CB C 34 31.414 31.414 31.873 -0.459 18475 5598 1 18 . 1 1 35 35 GLY N N 35 110.626 110.626 112.022 -1.396 18475 5599 1 18 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.069 0.571 18475 5600 1 18 . 1 1 35 35 GLY H H 35 8.911 8.911 8.494 0.417 18475 5601 1 18 . 1 1 36 36 LEU N N 36 121.614 121.614 123.782 -2.168 18475 5602 1 18 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.131 0.116 18475 5603 1 18 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.781 -0.057 18475 5604 1 18 . 1 1 36 36 LEU CB C 36 41.981 41.981 40.957 1.024 18475 5605 1 18 . 1 1 36 36 LEU H H 36 7.974 7.974 7.595 0.379 18475 5606 1 18 . 1 1 37 37 ALA N N 37 120.690 120.690 119.981 0.709 18475 5607 1 18 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.022 0.121 18475 5608 1 18 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.587 -0.145 18475 5609 1 18 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.280 0.717 18475 5610 1 18 . 1 1 37 37 ALA H H 37 8.215 8.215 8.645 -0.430 18475 5611 1 18 . 1 1 38 38 GLU N N 38 115.505 115.505 117.948 -2.443 18475 5612 1 18 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.104 0.187 18475 5613 1 18 . 1 1 38 38 GLU CA C 38 56.988 56.988 58.010 -1.022 18475 5614 1 18 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.167 0.672 18475 5615 1 18 . 1 1 38 38 GLU H H 38 7.982 7.982 7.581 0.401 18475 5616 1 18 . 1 1 39 39 LEU N N 39 119.888 119.888 119.336 0.552 18475 5617 1 18 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.061 0.208 18475 5618 1 18 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.902 -0.962 18475 5619 1 18 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.258 0.050 18475 5620 1 18 . 1 1 39 39 LEU H H 39 7.760 7.760 7.757 0.003 18475 5621 1 18 . 1 1 40 40 GLY N N 40 105.788 105.788 104.414 1.374 18475 5622 1 18 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.385 0.065 18475 5623 1 18 . 1 1 40 40 GLY H H 40 7.863 7.863 7.457 0.406 18475 5624 1 18 . 1 1 41 41 ALA N N 41 120.963 120.963 122.292 -1.329 18475 5625 1 18 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.332 -0.151 18475 5626 1 18 . 1 1 41 41 ALA CA C 41 54.089 54.089 53.375 0.714 18475 5627 1 18 . 1 1 41 41 ALA CB C 41 19.421 19.421 18.974 0.447 18475 5628 1 18 . 1 1 41 41 ALA H H 41 7.956 7.956 8.276 -0.320 18475 5629 1 18 . 1 1 42 42 VAL N N 42 116.969 116.969 120.598 -3.629 18475 5630 1 18 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.143 0.063 18475 5631 1 18 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.159 0.499 18475 5632 1 18 . 1 1 42 42 VAL CB C 42 32.330 32.330 32.973 -0.643 18475 5633 1 18 . 1 1 42 42 VAL H H 42 7.848 7.848 7.822 0.026 18475 5634 1 18 . 1 1 43 43 LEU N N 43 129.206 129.206 128.391 0.815 18475 5635 1 18 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.551 -0.080 18475 5636 1 18 . 1 1 43 43 LEU CA C 43 52.410 52.410 52.697 -0.287 18475 5637 1 18 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.403 0.801 18475 5638 1 18 . 1 1 43 43 LEU H H 43 8.764 8.764 8.244 0.520 18475 5639 1 18 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.339 0.091 18475 5640 1 18 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.301 0.125 18475 5641 1 18 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.214 -0.357 18475 5642 1 18 . 1 1 45 45 HIS N N 45 126.707 126.707 118.296 8.411 18475 5643 1 18 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.328 -0.311 18475 5644 1 18 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.410 1.337 18475 5645 1 18 . 1 1 45 45 HIS CB C 45 31.007 31.007 27.638 3.369 18475 5646 1 18 . 1 1 45 45 HIS H H 45 8.880 8.880 8.161 0.719 18475 5647 1 18 . 1 1 46 46 GLY N N 46 115.148 115.148 114.072 1.076 18475 5648 1 18 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.843 0.248 18475 5649 1 18 . 1 1 46 46 GLY H H 46 9.143 9.143 9.038 0.105 18475 5650 1 18 . 1 1 47 47 THR N N 47 117.455 117.455 119.666 -2.211 18475 5651 1 18 . 1 1 47 47 THR HA H 47 3.919 3.919 4.224 -0.305 18475 5652 1 18 . 1 1 47 47 THR CA C 47 65.329 65.329 63.654 1.675 18475 5653 1 18 . 1 1 47 47 THR CB C 47 70.171 70.171 69.274 0.897 18475 5654 1 18 . 1 1 47 47 THR H H 47 7.680 7.680 7.837 -0.157 18475 5655 1 18 . 1 1 48 48 ALA N N 48 131.425 131.425 131.807 -0.382 18475 5656 1 18 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.624 -0.156 18475 5657 1 18 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.498 0.556 18475 5658 1 18 . 1 1 48 48 ALA CB C 48 19.536 19.536 18.883 0.653 18475 5659 1 18 . 1 1 48 48 ALA H H 48 8.777 8.777 8.633 0.144 18475 5660 1 18 . 1 1 49 49 VAL N N 49 122.720 122.720 124.249 -1.529 18475 5661 1 18 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.306 -0.348 18475 5662 1 18 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.263 0.159 18475 5663 1 18 . 1 1 49 49 VAL CB C 49 34.974 34.974 34.576 0.398 18475 5664 1 18 . 1 1 49 49 VAL H H 49 8.564 8.564 7.776 0.788 18475 5665 1 18 . 1 1 50 50 GLU N N 50 129.105 129.105 125.802 3.303 18475 5666 1 18 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.373 -0.045 18475 5667 1 18 . 1 1 50 50 GLU CA C 50 55.869 55.869 55.131 0.738 18475 5668 1 18 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.852 -1.075 18475 5669 1 18 . 1 1 50 50 GLU H H 50 9.632 9.632 8.554 1.078 18475 5670 1 18 . 1 1 51 51 LEU N N 51 126.085 126.085 126.478 -0.393 18475 5671 1 18 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.669 0.275 18475 5672 1 18 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.701 -0.717 18475 5673 1 18 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.416 -0.497 18475 5674 1 18 . 1 1 51 51 LEU H H 51 8.474 8.474 8.336 0.138 18475 5675 1 18 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.445 0.047 18475 5676 1 18 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.669 -0.539 18475 5677 1 18 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.305 0.282 18475 5678 1 18 . 1 1 53 53 ASP N N 53 120.950 120.950 118.549 2.401 18475 5679 1 18 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.404 0.271 18475 5680 1 18 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.330 -0.210 18475 5681 1 18 . 1 1 53 53 ASP CB C 53 40.490 40.490 39.546 0.944 18475 5682 1 18 . 1 1 53 53 ASP H H 53 8.737 8.737 8.620 0.117 18475 5683 1 18 . 1 1 54 54 VAL N N 54 121.459 121.459 117.149 4.310 18475 5684 1 18 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.401 -0.204 18475 5685 1 18 . 1 1 54 54 VAL CA C 54 62.030 62.030 60.874 1.156 18475 5686 1 18 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.847 -1.520 18475 5687 1 18 . 1 1 54 54 VAL H H 54 8.161 8.161 7.907 0.254 18475 5688 1 18 . 1 1 55 55 GLN N N 55 124.703 124.703 125.499 -0.796 18475 5689 1 18 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.352 0.079 18475 5690 1 18 . 1 1 55 55 GLN CA C 55 56.109 56.109 55.910 0.200 18475 5691 1 18 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.013 0.471 18475 5692 1 18 . 1 1 55 55 GLN H H 55 8.623 8.623 8.372 0.251 18475 5693 1 18 . 1 1 56 56 THR HA H 56 4.332 4.332 4.033 0.299 18475 5694 1 18 . 1 1 56 56 THR CA C 56 61.688 61.688 62.394 -0.706 18475 5695 1 18 . 1 1 56 56 THR CB C 56 69.969 69.969 67.959 2.010 18475 5696 1 18 . 1 1 57 57 ALA N N 57 127.534 127.534 121.682 5.852 18475 5697 1 18 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.568 0.085 18475 5698 1 18 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.445 0.127 18475 5699 1 18 . 1 1 57 57 ALA CB C 57 18.397 18.397 20.644 -2.247 18475 5700 1 18 . 1 1 57 57 ALA H H 57 8.277 8.277 7.573 0.704 18475 5701 1 18 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.554 -0.070 18475 5702 1 18 . 1 1 58 58 PRO CA C 58 62.410 62.410 63.517 -1.107 18475 5703 1 18 . 1 1 58 58 PRO CB C 58 32.030 32.030 30.054 1.976 18475 5704 1 18 . 1 1 59 59 VAL N N 59 120.618 120.618 120.660 -0.042 18475 5705 1 18 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.623 -0.556 18475 5706 1 18 . 1 1 59 59 VAL CA C 59 62.396 62.396 60.635 1.761 18475 5707 1 18 . 1 1 59 59 VAL CB C 59 32.832 32.832 33.821 -0.989 18475 5708 1 18 . 1 1 59 59 VAL H H 59 8.219 8.219 7.861 0.358 18475 5709 1 18 . 1 1 60 60 ALA N N 60 127.858 127.858 123.141 4.717 18475 5710 1 18 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.650 -0.328 18475 5711 1 18 . 1 1 60 60 ALA CA C 60 52.641 52.641 51.714 0.927 18475 5712 1 18 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.486 -0.118 18475 5713 1 18 . 1 1 60 60 ALA H H 60 8.399 8.399 8.337 0.062 18475 5714 1 18 . 1 1 61 61 GLU N N 61 120.215 120.215 118.741 1.474 18475 5715 1 18 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.400 -0.095 18475 5716 1 18 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.469 0.309 18475 5717 1 18 . 1 1 61 61 GLU CB C 61 30.357 30.357 30.358 -0.001 18475 5718 1 18 . 1 1 61 61 GLU H H 61 8.405 8.405 8.378 0.027 18475 5719 1 18 . 1 1 62 62 THR N N 62 115.392 115.392 114.848 0.544 18475 5720 1 18 . 1 1 62 62 THR HA H 62 4.327 4.327 4.950 -0.623 18475 5721 1 18 . 1 1 62 62 THR CA C 62 61.984 61.984 60.899 1.085 18475 5722 1 18 . 1 1 62 62 THR CB C 62 69.856 69.856 71.074 -1.218 18475 5723 1 18 . 1 1 62 62 THR H H 62 8.166 8.166 8.368 -0.202 18475 5724 1 18 . 1 1 63 63 VAL N N 63 122.511 122.511 120.143 2.368 18475 5725 1 18 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.294 -0.247 18475 5726 1 18 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.434 -0.162 18475 5727 1 18 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.648 -0.795 18475 5728 1 18 . 1 1 63 63 VAL H H 63 8.099 8.099 8.235 -0.136 18475 5729 1 18 . 1 1 64 64 ASN N N 64 122.642 122.642 125.432 -2.790 18475 5730 1 18 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.942 -0.319 18475 5731 1 18 . 1 1 64 64 ASN CA C 64 52.901 52.901 52.322 0.579 18475 5732 1 18 . 1 1 64 64 ASN CB C 64 38.541 38.541 39.426 -0.885 18475 5733 1 18 . 1 1 64 64 ASN H H 64 8.471 8.471 8.428 0.043 18475 5734 1 18 . 1 1 65 65 LEU N N 65 123.365 123.365 120.825 2.540 18475 5735 1 18 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.357 -0.193 18475 5736 1 18 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.377 1.787 18475 5737 1 18 . 1 1 65 65 LEU CB C 65 41.989 41.989 44.522 -2.533 18475 5738 1 18 . 1 1 65 65 LEU H H 65 8.226 8.226 8.262 -0.036 18475 5739 1 18 . 1 1 66 66 TRP N N 66 119.270 119.270 124.364 -5.094 18475 5740 1 18 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.601 0.043 18475 5741 1 18 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.571 0.247 18475 5742 1 18 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.691 -0.546 18475 5743 1 18 . 1 1 66 66 TRP H H 66 7.886 7.886 7.996 -0.110 18475 5744 1 18 . 1 1 67 67 GLU N N 67 121.087 121.087 122.345 -1.258 18475 5745 1 18 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.579 -0.355 18475 5746 1 18 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.091 0.892 18475 5747 1 18 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.393 -0.182 18475 5748 1 18 . 1 1 67 67 GLU H H 67 7.982 7.982 8.581 -0.599 18475 5749 1 18 . 1 1 68 68 VAL N N 68 119.603 119.603 121.002 -1.399 18475 5750 1 18 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.382 -0.395 18475 5751 1 18 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.637 0.192 18475 5752 1 18 . 1 1 68 68 VAL CB C 68 32.734 32.734 31.915 0.819 18475 5753 1 18 . 1 1 68 68 VAL H H 68 7.836 7.836 8.036 -0.200 18475 5754 1 18 . 1 1 69 69 GLU N N 69 122.754 122.754 125.186 -2.432 18475 5755 1 18 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.353 -0.170 18475 5756 1 18 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.515 0.371 18475 5757 1 18 . 1 1 69 69 GLU CB C 69 30.236 30.236 31.364 -1.128 18475 5758 1 18 . 1 1 69 69 GLU H H 69 8.287 8.287 8.544 -0.257 18475 5759 1 18 . 1 1 70 70 HIS N N 70 119.727 119.727 120.994 -1.267 18475 5760 1 18 . 1 1 70 70 HIS H H 70 8.145 8.145 8.246 -0.101 18475 5761 1 19 . 1 1 2 2 LYS N N 2 125.102 125.102 118.850 6.252 18475 5762 1 19 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.298 -0.508 18475 5763 1 19 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.553 0.796 18475 5764 1 19 . 1 1 2 2 LYS CB C 2 34.348 34.348 35.518 -1.170 18475 5765 1 19 . 1 1 2 2 LYS H H 2 8.576 8.576 7.735 0.841 18475 5766 1 19 . 1 1 3 3 THR N N 3 118.344 118.344 114.345 3.999 18475 5767 1 19 . 1 1 3 3 THR HA H 3 4.431 4.431 4.266 0.165 18475 5768 1 19 . 1 1 3 3 THR CA C 3 58.999 58.999 60.224 -1.226 18475 5769 1 19 . 1 1 3 3 THR CB C 3 70.310 70.310 70.356 -0.046 18475 5770 1 19 . 1 1 3 3 THR H H 3 8.411 8.411 7.985 0.426 18475 5771 1 19 . 1 1 4 4 PHE N N 4 119.203 119.203 120.937 -1.734 18475 5772 1 19 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.676 0.589 18475 5773 1 19 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.077 -0.478 18475 5774 1 19 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.434 2.087 18475 5775 1 19 . 1 1 4 4 PHE H H 4 7.738 7.738 8.012 -0.274 18475 5776 1 19 . 1 1 5 5 ALA N N 5 125.356 125.356 126.821 -1.465 18475 5777 1 19 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.794 -0.470 18475 5778 1 19 . 1 1 5 5 ALA CA C 5 52.714 52.714 50.977 1.737 18475 5779 1 19 . 1 1 5 5 ALA CB C 5 19.937 19.937 19.462 0.475 18475 5780 1 19 . 1 1 5 5 ALA H H 5 9.071 9.071 8.913 0.158 18475 5781 1 19 . 1 1 6 6 LEU N N 6 126.309 126.309 124.301 2.008 18475 5782 1 19 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.699 -0.191 18475 5783 1 19 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.685 0.712 18475 5784 1 19 . 1 1 6 6 LEU CB C 6 42.307 42.307 43.849 -1.542 18475 5785 1 19 . 1 1 6 6 LEU H H 6 9.657 9.657 8.216 1.441 18475 5786 1 19 . 1 1 7 7 GLN N N 7 119.930 119.930 120.039 -0.109 18475 5787 1 19 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.017 0.160 18475 5788 1 19 . 1 1 7 7 GLN CA C 7 57.510 57.510 58.130 -0.620 18475 5789 1 19 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.950 -1.012 18475 5790 1 19 . 1 1 7 7 GLN H H 7 8.647 8.647 8.631 0.016 18475 5791 1 19 . 1 1 8 8 GLY N N 8 117.081 117.081 113.950 3.131 18475 5792 1 19 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.347 -0.002 18475 5793 1 19 . 1 1 8 8 GLY H H 8 9.812 9.812 8.859 0.953 18475 5794 1 19 . 1 1 9 9 ASP N N 9 121.569 121.569 118.632 2.937 18475 5795 1 19 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.985 -0.326 18475 5796 1 19 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.239 2.400 18475 5797 1 19 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.516 0.611 18475 5798 1 19 . 1 1 9 9 ASP H H 9 8.085 8.085 8.372 -0.287 18475 5799 1 19 . 1 1 10 10 THR N N 10 106.071 106.071 111.204 -5.133 18475 5800 1 19 . 1 1 10 10 THR HA H 10 4.984 4.984 4.324 0.660 18475 5801 1 19 . 1 1 10 10 THR CA C 10 58.309 58.309 60.825 -2.516 18475 5802 1 19 . 1 1 10 10 THR CB C 10 72.680 72.680 70.519 2.161 18475 5803 1 19 . 1 1 10 10 THR H H 10 6.920 6.920 7.590 -0.670 18475 5804 1 19 . 1 1 11 11 LEU N N 11 122.591 122.591 120.771 1.820 18475 5805 1 19 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.973 0.158 18475 5806 1 19 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.596 -0.269 18475 5807 1 19 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.639 -0.217 18475 5808 1 19 . 1 1 11 11 LEU H H 11 9.621 9.621 8.606 1.015 18475 5809 1 19 . 1 1 12 12 ASP N N 12 118.388 118.388 118.826 -0.438 18475 5810 1 19 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.349 -0.208 18475 5811 1 19 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.204 0.605 18475 5812 1 19 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.830 -0.364 18475 5813 1 19 . 1 1 12 12 ASP H H 12 8.561 8.561 7.988 0.573 18475 5814 1 19 . 1 1 13 13 ALA N N 13 121.142 121.142 121.373 -0.231 18475 5815 1 19 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.316 -0.295 18475 5816 1 19 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.334 0.902 18475 5817 1 19 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.311 -0.802 18475 5818 1 19 . 1 1 13 13 ALA H H 13 7.870 7.870 7.598 0.272 18475 5819 1 19 . 1 1 14 14 ILE N N 14 119.983 119.983 119.565 0.418 18475 5820 1 19 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.623 -0.003 18475 5821 1 19 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.766 0.300 18475 5822 1 19 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.772 0.851 18475 5823 1 19 . 1 1 14 14 ILE H H 14 8.043 8.043 8.542 -0.499 18475 5824 1 19 . 1 1 15 15 CYS N N 15 117.727 117.727 116.965 0.762 18475 5825 1 19 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.314 0.163 18475 5826 1 19 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.739 0.682 18475 5827 1 19 . 1 1 15 15 CYS CB C 15 26.368 26.368 27.332 -0.964 18475 5828 1 19 . 1 1 15 15 CYS H H 15 8.477 8.477 8.454 0.023 18475 5829 1 19 . 1 1 16 16 VAL N N 16 120.808 120.808 119.276 1.532 18475 5830 1 19 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.924 -0.606 18475 5831 1 19 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.684 1.914 18475 5832 1 19 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.768 -0.385 18475 5833 1 19 . 1 1 16 16 VAL H H 16 8.477 8.477 7.918 0.559 18475 5834 1 19 . 1 1 17 17 ARG N N 17 119.589 119.589 119.471 0.118 18475 5835 1 19 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.196 -0.260 18475 5836 1 19 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.823 1.361 18475 5837 1 19 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.575 0.106 18475 5838 1 19 . 1 1 17 17 ARG H H 17 7.963 7.963 8.159 -0.196 18475 5839 1 19 . 1 1 18 18 TYR N N 18 113.897 113.897 117.243 -3.346 18475 5840 1 19 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.398 -0.017 18475 5841 1 19 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.233 0.877 18475 5842 1 19 . 1 1 18 18 TYR CB C 18 40.011 40.011 38.699 1.312 18475 5843 1 19 . 1 1 18 18 TYR H H 18 7.833 7.833 8.364 -0.531 18475 5844 1 19 . 1 1 19 19 TYR N N 19 115.270 115.270 116.443 -1.173 18475 5845 1 19 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.585 0.160 18475 5846 1 19 . 1 1 19 19 TYR CA C 19 58.340 58.340 59.085 -0.745 18475 5847 1 19 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.156 0.734 18475 5848 1 19 . 1 1 19 19 TYR H H 19 8.936 8.936 7.685 1.251 18475 5849 1 19 . 1 1 20 20 GLY N N 20 108.099 108.099 106.309 1.790 18475 5850 1 19 . 1 1 20 20 GLY CA C 20 45.800 45.800 44.972 0.828 18475 5851 1 19 . 1 1 20 20 GLY H H 20 7.921 7.921 8.416 -0.495 18475 5852 1 19 . 1 1 21 21 ARG N N 21 115.116 115.116 117.316 -2.200 18475 5853 1 19 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.663 0.070 18475 5854 1 19 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.472 0.248 18475 5855 1 19 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.507 -0.242 18475 5856 1 19 . 1 1 21 21 ARG H H 21 7.495 7.495 7.737 -0.242 18475 5857 1 19 . 1 1 22 22 THR N N 22 106.239 106.239 108.814 -2.575 18475 5858 1 19 . 1 1 22 22 THR HA H 22 4.320 4.320 4.461 -0.141 18475 5859 1 19 . 1 1 22 22 THR CA C 22 62.284 62.284 62.414 -0.130 18475 5860 1 19 . 1 1 22 22 THR CB C 22 69.292 69.292 69.517 -0.225 18475 5861 1 19 . 1 1 22 22 THR H H 22 8.162 8.162 8.362 -0.200 18475 5862 1 19 . 1 1 23 23 GLU N N 23 126.964 126.964 122.444 4.520 18475 5863 1 19 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.139 0.026 18475 5864 1 19 . 1 1 23 23 GLU CA C 23 58.752 58.752 56.670 2.082 18475 5865 1 19 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.872 0.108 18475 5866 1 19 . 1 1 23 23 GLU H H 23 8.543 8.543 8.182 0.361 18475 5867 1 19 . 1 1 24 24 GLY N N 24 115.618 115.618 115.195 0.423 18475 5868 1 19 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.613 0.402 18475 5869 1 19 . 1 1 24 24 GLY H H 24 9.112 9.112 8.796 0.316 18475 5870 1 19 . 1 1 25 25 VAL N N 25 118.084 118.084 120.002 -1.918 18475 5871 1 19 . 1 1 25 25 VAL HA H 25 4.004 4.004 4.148 -0.144 18475 5872 1 19 . 1 1 25 25 VAL CA C 25 63.479 63.479 62.391 1.088 18475 5873 1 19 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.336 1.547 18475 5874 1 19 . 1 1 25 25 VAL H H 25 7.860 7.860 7.376 0.484 18475 5875 1 19 . 1 1 26 26 VAL N N 26 121.094 121.094 117.399 3.695 18475 5876 1 19 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.716 0.041 18475 5877 1 19 . 1 1 26 26 VAL CA C 26 66.861 66.861 66.439 0.422 18475 5878 1 19 . 1 1 26 26 VAL CB C 26 31.890 31.890 30.767 1.123 18475 5879 1 19 . 1 1 26 26 VAL H H 26 8.101 8.101 7.867 0.234 18475 5880 1 19 . 1 1 27 27 GLU N N 27 119.186 119.186 119.107 0.079 18475 5881 1 19 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.106 -0.124 18475 5882 1 19 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.125 1.535 18475 5883 1 19 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.024 -0.568 18475 5884 1 19 . 1 1 27 27 GLU H H 27 8.910 8.910 8.815 0.095 18475 5885 1 19 . 1 1 28 28 THR N N 28 117.846 117.846 116.941 0.905 18475 5886 1 19 . 1 1 28 28 THR HA H 28 3.980 3.980 3.996 -0.016 18475 5887 1 19 . 1 1 28 28 THR CA C 28 66.119 66.119 65.454 0.665 18475 5888 1 19 . 1 1 28 28 THR CB C 28 68.459 68.459 68.353 0.106 18475 5889 1 19 . 1 1 28 28 THR H H 28 7.502 7.502 7.843 -0.341 18475 5890 1 19 . 1 1 29 29 VAL N N 29 123.919 123.919 122.158 1.761 18475 5891 1 19 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.642 -0.215 18475 5892 1 19 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.402 0.997 18475 5893 1 19 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.903 0.662 18475 5894 1 19 . 1 1 29 29 VAL H H 29 8.025 8.025 7.557 0.468 18475 5895 1 19 . 1 1 30 30 LEU N N 30 122.820 122.820 120.744 2.076 18475 5896 1 19 . 1 1 30 30 LEU HA H 30 3.975 3.975 3.988 -0.013 18475 5897 1 19 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.712 1.240 18475 5898 1 19 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.213 0.247 18475 5899 1 19 . 1 1 30 30 LEU H H 30 8.971 8.971 7.689 1.282 18475 5900 1 19 . 1 1 31 31 ALA N N 31 120.021 120.021 120.232 -0.211 18475 5901 1 19 . 1 1 31 31 ALA HA H 31 4.098 4.098 3.898 0.200 18475 5902 1 19 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.516 0.056 18475 5903 1 19 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.119 -0.204 18475 5904 1 19 . 1 1 31 31 ALA H H 31 7.652 7.652 7.428 0.224 18475 5905 1 19 . 1 1 32 32 ALA N N 32 117.285 117.285 119.928 -2.643 18475 5906 1 19 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.116 0.278 18475 5907 1 19 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.363 -1.339 18475 5908 1 19 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.747 -0.379 18475 5909 1 19 . 1 1 32 32 ALA H H 32 7.278 7.278 7.602 -0.324 18475 5910 1 19 . 1 1 33 33 ASN N N 33 116.716 116.716 116.306 0.410 18475 5911 1 19 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.186 -0.000 18475 5912 1 19 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.767 0.462 18475 5913 1 19 . 1 1 33 33 ASN CB C 33 42.413 42.413 41.059 1.354 18475 5914 1 19 . 1 1 33 33 ASN H H 33 7.536 7.536 8.023 -0.487 18475 5915 1 19 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.559 -0.072 18475 5916 1 19 . 1 1 34 34 PRO CA C 34 64.760 64.760 64.143 0.617 18475 5917 1 19 . 1 1 34 34 PRO CB C 34 31.414 31.414 31.914 -0.500 18475 5918 1 19 . 1 1 35 35 GLY N N 35 110.626 110.626 110.750 -0.124 18475 5919 1 19 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.134 0.506 18475 5920 1 19 . 1 1 35 35 GLY H H 35 8.911 8.911 8.474 0.437 18475 5921 1 19 . 1 1 36 36 LEU N N 36 121.614 121.614 122.240 -0.626 18475 5922 1 19 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.366 -0.119 18475 5923 1 19 . 1 1 36 36 LEU CA C 36 56.724 56.724 56.459 0.265 18475 5924 1 19 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.640 0.341 18475 5925 1 19 . 1 1 36 36 LEU H H 36 7.974 7.974 7.507 0.467 18475 5926 1 19 . 1 1 37 37 ALA N N 37 120.690 120.690 121.607 -0.917 18475 5927 1 19 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.065 0.078 18475 5928 1 19 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.428 0.014 18475 5929 1 19 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.497 0.501 18475 5930 1 19 . 1 1 37 37 ALA H H 37 8.215 8.215 8.073 0.142 18475 5931 1 19 . 1 1 38 38 GLU N N 38 115.505 115.505 116.369 -0.864 18475 5932 1 19 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.317 -0.026 18475 5933 1 19 . 1 1 38 38 GLU CA C 38 56.988 56.988 56.660 0.328 18475 5934 1 19 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.502 0.337 18475 5935 1 19 . 1 1 38 38 GLU H H 38 7.982 7.982 8.058 -0.076 18475 5936 1 19 . 1 1 39 39 LEU N N 39 119.888 119.888 120.766 -0.878 18475 5937 1 19 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.230 0.039 18475 5938 1 19 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.034 -0.094 18475 5939 1 19 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.326 -0.018 18475 5940 1 19 . 1 1 39 39 LEU H H 39 7.760 7.760 7.580 0.180 18475 5941 1 19 . 1 1 40 40 GLY N N 40 105.788 105.788 105.300 0.488 18475 5942 1 19 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.260 0.190 18475 5943 1 19 . 1 1 40 40 GLY H H 40 7.863 7.863 7.577 0.286 18475 5944 1 19 . 1 1 41 41 ALA N N 41 120.963 120.963 121.743 -0.780 18475 5945 1 19 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.224 -0.043 18475 5946 1 19 . 1 1 41 41 ALA CA C 41 54.089 54.089 53.774 0.315 18475 5947 1 19 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.201 0.220 18475 5948 1 19 . 1 1 41 41 ALA H H 41 7.956 7.956 8.151 -0.195 18475 5949 1 19 . 1 1 42 42 VAL N N 42 116.969 116.969 117.468 -0.499 18475 5950 1 19 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.116 0.090 18475 5951 1 19 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.696 -0.038 18475 5952 1 19 . 1 1 42 42 VAL CB C 42 32.330 32.330 33.540 -1.210 18475 5953 1 19 . 1 1 42 42 VAL H H 42 7.848 7.848 7.540 0.308 18475 5954 1 19 . 1 1 43 43 LEU N N 43 129.206 129.206 124.187 5.019 18475 5955 1 19 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.733 -0.262 18475 5956 1 19 . 1 1 43 43 LEU CA C 43 52.410 52.410 51.533 0.877 18475 5957 1 19 . 1 1 43 43 LEU CB C 43 42.204 42.204 43.046 -0.842 18475 5958 1 19 . 1 1 43 43 LEU H H 43 8.764 8.764 8.493 0.271 18475 5959 1 19 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.476 -0.046 18475 5960 1 19 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.742 -0.316 18475 5961 1 19 . 1 1 44 44 PRO CB C 44 31.857 31.857 31.527 0.330 18475 5962 1 19 . 1 1 45 45 HIS N N 45 126.707 126.707 123.497 3.210 18475 5963 1 19 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.496 -0.479 18475 5964 1 19 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.797 0.950 18475 5965 1 19 . 1 1 45 45 HIS CB C 45 31.007 31.007 28.934 2.072 18475 5966 1 19 . 1 1 45 45 HIS H H 45 8.880 8.880 8.499 0.381 18475 5967 1 19 . 1 1 46 46 GLY N N 46 115.148 115.148 113.420 1.728 18475 5968 1 19 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.761 0.330 18475 5969 1 19 . 1 1 46 46 GLY H H 46 9.143 9.143 8.726 0.417 18475 5970 1 19 . 1 1 47 47 THR N N 47 117.455 117.455 120.357 -2.902 18475 5971 1 19 . 1 1 47 47 THR HA H 47 3.919 3.919 4.394 -0.475 18475 5972 1 19 . 1 1 47 47 THR CA C 47 65.329 65.329 63.297 2.031 18475 5973 1 19 . 1 1 47 47 THR CB C 47 70.171 70.171 69.283 0.888 18475 5974 1 19 . 1 1 47 47 THR H H 47 7.680 7.680 7.866 -0.186 18475 5975 1 19 . 1 1 48 48 ALA N N 48 131.425 131.425 131.240 0.185 18475 5976 1 19 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.673 -0.205 18475 5977 1 19 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.879 0.175 18475 5978 1 19 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.946 -0.410 18475 5979 1 19 . 1 1 48 48 ALA H H 48 8.777 8.777 8.762 0.015 18475 5980 1 19 . 1 1 49 49 VAL N N 49 122.720 122.720 120.097 2.623 18475 5981 1 19 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.261 -0.303 18475 5982 1 19 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.328 0.094 18475 5983 1 19 . 1 1 49 49 VAL CB C 49 34.974 34.974 36.050 -1.076 18475 5984 1 19 . 1 1 49 49 VAL H H 49 8.564 8.564 8.204 0.360 18475 5985 1 19 . 1 1 50 50 GLU N N 50 129.105 129.105 127.656 1.449 18475 5986 1 19 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.312 0.016 18475 5987 1 19 . 1 1 50 50 GLU CA C 50 55.869 55.869 56.695 -0.826 18475 5988 1 19 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.461 -0.684 18475 5989 1 19 . 1 1 50 50 GLU H H 50 9.632 9.632 8.535 1.097 18475 5990 1 19 . 1 1 51 51 LEU N N 51 126.085 126.085 127.120 -1.035 18475 5991 1 19 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.774 0.170 18475 5992 1 19 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.917 -0.933 18475 5993 1 19 . 1 1 51 51 LEU CB C 51 40.919 40.919 42.267 -1.348 18475 5994 1 19 . 1 1 51 51 LEU H H 51 8.474 8.474 7.882 0.592 18475 5995 1 19 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.560 -0.068 18475 5996 1 19 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.985 -0.855 18475 5997 1 19 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.585 0.002 18475 5998 1 19 . 1 1 53 53 ASP N N 53 120.950 120.950 117.543 3.407 18475 5999 1 19 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.351 0.324 18475 6000 1 19 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.485 -0.365 18475 6001 1 19 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.280 0.210 18475 6002 1 19 . 1 1 53 53 ASP H H 53 8.737 8.737 8.638 0.099 18475 6003 1 19 . 1 1 54 54 VAL N N 54 121.459 121.459 117.888 3.571 18475 6004 1 19 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.352 -0.155 18475 6005 1 19 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.524 0.506 18475 6006 1 19 . 1 1 54 54 VAL CB C 54 33.327 33.327 33.698 -0.371 18475 6007 1 19 . 1 1 54 54 VAL H H 54 8.161 8.161 8.120 0.041 18475 6008 1 19 . 1 1 55 55 GLN N N 55 124.703 124.703 121.385 3.318 18475 6009 1 19 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.043 0.388 18475 6010 1 19 . 1 1 55 55 GLN CA C 55 56.109 56.109 56.543 -0.434 18475 6011 1 19 . 1 1 55 55 GLN CB C 55 29.484 29.484 27.852 1.632 18475 6012 1 19 . 1 1 55 55 GLN H H 55 8.623 8.623 8.826 -0.203 18475 6013 1 19 . 1 1 56 56 THR HA H 56 4.332 4.332 4.138 0.194 18475 6014 1 19 . 1 1 56 56 THR CA C 56 61.688 61.688 64.202 -2.514 18475 6015 1 19 . 1 1 56 56 THR CB C 56 69.969 69.969 69.348 0.621 18475 6016 1 19 . 1 1 57 57 ALA N N 57 127.534 127.534 128.321 -0.787 18475 6017 1 19 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.733 -0.080 18475 6018 1 19 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.294 0.278 18475 6019 1 19 . 1 1 57 57 ALA CB C 57 18.397 18.397 20.110 -1.713 18475 6020 1 19 . 1 1 57 57 ALA H H 57 8.277 8.277 7.912 0.365 18475 6021 1 19 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.533 -0.049 18475 6022 1 19 . 1 1 58 58 PRO CA C 58 62.410 62.410 63.291 -0.881 18475 6023 1 19 . 1 1 58 58 PRO CB C 58 32.030 32.030 30.438 1.592 18475 6024 1 19 . 1 1 59 59 VAL N N 59 120.618 120.618 122.560 -1.942 18475 6025 1 19 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.252 -0.185 18475 6026 1 19 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.263 1.133 18475 6027 1 19 . 1 1 59 59 VAL CB C 59 32.832 32.832 34.472 -1.640 18475 6028 1 19 . 1 1 59 59 VAL H H 59 8.219 8.219 7.950 0.269 18475 6029 1 19 . 1 1 60 60 ALA N N 60 127.858 127.858 128.177 -0.319 18475 6030 1 19 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.354 -0.032 18475 6031 1 19 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.828 -0.187 18475 6032 1 19 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.180 0.188 18475 6033 1 19 . 1 1 60 60 ALA H H 60 8.399 8.399 8.274 0.125 18475 6034 1 19 . 1 1 61 61 GLU N N 61 120.215 120.215 121.031 -0.816 18475 6035 1 19 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.389 -0.084 18475 6036 1 19 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.431 0.347 18475 6037 1 19 . 1 1 61 61 GLU CB C 61 30.357 30.357 32.169 -1.812 18475 6038 1 19 . 1 1 61 61 GLU H H 61 8.405 8.405 8.456 -0.051 18475 6039 1 19 . 1 1 62 62 THR N N 62 115.392 115.392 117.244 -1.852 18475 6040 1 19 . 1 1 62 62 THR HA H 62 4.327 4.327 4.779 -0.452 18475 6041 1 19 . 1 1 62 62 THR CA C 62 61.984 61.984 61.815 0.169 18475 6042 1 19 . 1 1 62 62 THR CB C 62 69.856 69.856 69.273 0.583 18475 6043 1 19 . 1 1 62 62 THR H H 62 8.166 8.166 8.330 -0.164 18475 6044 1 19 . 1 1 63 63 VAL N N 63 122.511 122.511 124.193 -1.682 18475 6045 1 19 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.179 -0.132 18475 6046 1 19 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.347 -0.075 18475 6047 1 19 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.324 -0.471 18475 6048 1 19 . 1 1 63 63 VAL H H 63 8.099 8.099 8.040 0.059 18475 6049 1 19 . 1 1 64 64 ASN N N 64 122.642 122.642 123.715 -1.073 18475 6050 1 19 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.711 -0.088 18475 6051 1 19 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.697 -0.796 18475 6052 1 19 . 1 1 64 64 ASN CB C 64 38.541 38.541 39.137 -0.596 18475 6053 1 19 . 1 1 64 64 ASN H H 64 8.471 8.471 8.464 0.007 18475 6054 1 19 . 1 1 65 65 LEU N N 65 123.365 123.365 125.830 -2.465 18475 6055 1 19 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.605 -0.441 18475 6056 1 19 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.112 2.052 18475 6057 1 19 . 1 1 65 65 LEU CB C 65 41.989 41.989 43.176 -1.187 18475 6058 1 19 . 1 1 65 65 LEU H H 65 8.226 8.226 8.376 -0.149 18475 6059 1 19 . 1 1 66 66 TRP N N 66 119.270 119.270 129.689 -10.419 18475 6060 1 19 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.593 0.051 18475 6061 1 19 . 1 1 66 66 TRP CA C 66 57.818 57.818 56.885 0.933 18475 6062 1 19 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.411 -0.266 18475 6063 1 19 . 1 1 66 66 TRP H H 66 7.886 7.886 8.593 -0.707 18475 6064 1 19 . 1 1 67 67 GLU N N 67 121.087 121.087 126.035 -4.948 18475 6065 1 19 . 1 1 67 67 GLU HA H 67 4.224 4.224 3.961 0.263 18475 6066 1 19 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.095 0.888 18475 6067 1 19 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.345 -0.134 18475 6068 1 19 . 1 1 67 67 GLU H H 67 7.982 7.982 8.347 -0.365 18475 6069 1 19 . 1 1 68 68 VAL N N 68 119.603 119.603 123.446 -3.843 18475 6070 1 19 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.257 -0.270 18475 6071 1 19 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.724 0.105 18475 6072 1 19 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.455 0.279 18475 6073 1 19 . 1 1 68 68 VAL H H 68 7.836 7.836 8.200 -0.364 18475 6074 1 19 . 1 1 69 69 GLU N N 69 122.754 122.754 120.365 2.389 18475 6075 1 19 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.096 0.087 18475 6076 1 19 . 1 1 69 69 GLU CA C 69 56.886 56.886 57.016 -0.130 18475 6077 1 19 . 1 1 69 69 GLU CB C 69 30.236 30.236 28.803 1.433 18475 6078 1 19 . 1 1 69 69 GLU H H 69 8.287 8.287 8.212 0.075 18475 6079 1 19 . 1 1 70 70 HIS N N 70 119.727 119.727 118.001 1.726 18475 6080 1 19 . 1 1 70 70 HIS H H 70 8.145 8.145 8.403 -0.258 18475 6081 1 20 . 1 1 2 2 LYS N N 2 125.102 125.102 119.664 5.438 18475 6082 1 20 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.082 -0.292 18475 6083 1 20 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.805 0.544 18475 6084 1 20 . 1 1 2 2 LYS CB C 2 34.348 34.348 35.347 -1.000 18475 6085 1 20 . 1 1 2 2 LYS H H 2 8.576 8.576 7.732 0.844 18475 6086 1 20 . 1 1 3 3 THR N N 3 118.344 118.344 114.711 3.633 18475 6087 1 20 . 1 1 3 3 THR HA H 3 4.431 4.431 4.279 0.152 18475 6088 1 20 . 1 1 3 3 THR CA C 3 58.999 58.999 60.003 -1.004 18475 6089 1 20 . 1 1 3 3 THR CB C 3 70.310 70.310 70.218 0.092 18475 6090 1 20 . 1 1 3 3 THR H H 3 8.411 8.411 8.139 0.272 18475 6091 1 20 . 1 1 4 4 PHE N N 4 119.203 119.203 120.963 -1.760 18475 6092 1 20 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.593 0.672 18475 6093 1 20 . 1 1 4 4 PHE CA C 4 55.599 55.599 55.878 -0.279 18475 6094 1 20 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.250 2.271 18475 6095 1 20 . 1 1 4 4 PHE H H 4 7.738 7.738 7.920 -0.182 18475 6096 1 20 . 1 1 5 5 ALA N N 5 125.356 125.356 124.525 0.831 18475 6097 1 20 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.679 -0.355 18475 6098 1 20 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.250 1.464 18475 6099 1 20 . 1 1 5 5 ALA CB C 5 19.937 19.937 20.697 -0.760 18475 6100 1 20 . 1 1 5 5 ALA H H 5 9.071 9.071 8.610 0.461 18475 6101 1 20 . 1 1 6 6 LEU N N 6 126.309 126.309 120.404 5.905 18475 6102 1 20 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.640 -0.132 18475 6103 1 20 . 1 1 6 6 LEU CA C 6 53.397 53.397 53.157 0.240 18475 6104 1 20 . 1 1 6 6 LEU CB C 6 42.307 42.307 45.642 -3.335 18475 6105 1 20 . 1 1 6 6 LEU H H 6 9.657 9.657 8.253 1.404 18475 6106 1 20 . 1 1 7 7 GLN N N 7 119.930 119.930 121.548 -1.618 18475 6107 1 20 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.132 0.045 18475 6108 1 20 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.722 -0.212 18475 6109 1 20 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.829 -0.891 18475 6110 1 20 . 1 1 7 7 GLN H H 7 8.647 8.647 8.578 0.069 18475 6111 1 20 . 1 1 8 8 GLY N N 8 117.081 117.081 115.562 1.519 18475 6112 1 20 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.688 -0.343 18475 6113 1 20 . 1 1 8 8 GLY H H 8 9.812 9.812 9.076 0.736 18475 6114 1 20 . 1 1 9 9 ASP N N 9 121.569 121.569 119.267 2.302 18475 6115 1 20 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.954 -0.295 18475 6116 1 20 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.786 1.853 18475 6117 1 20 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.659 0.468 18475 6118 1 20 . 1 1 9 9 ASP H H 9 8.085 8.085 8.504 -0.419 18475 6119 1 20 . 1 1 10 10 THR N N 10 106.071 106.071 111.939 -5.868 18475 6120 1 20 . 1 1 10 10 THR HA H 10 4.984 4.984 4.397 0.587 18475 6121 1 20 . 1 1 10 10 THR CA C 10 58.309 58.309 61.046 -2.737 18475 6122 1 20 . 1 1 10 10 THR CB C 10 72.680 72.680 70.290 2.390 18475 6123 1 20 . 1 1 10 10 THR H H 10 6.920 6.920 7.430 -0.510 18475 6124 1 20 . 1 1 11 11 LEU N N 11 122.591 122.591 120.109 2.482 18475 6125 1 20 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.955 0.176 18475 6126 1 20 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.249 0.078 18475 6127 1 20 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.399 0.023 18475 6128 1 20 . 1 1 11 11 LEU H H 11 9.621 9.621 8.580 1.041 18475 6129 1 20 . 1 1 12 12 ASP N N 12 118.388 118.388 118.943 -0.555 18475 6130 1 20 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.360 -0.219 18475 6131 1 20 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.403 0.406 18475 6132 1 20 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.627 -0.161 18475 6133 1 20 . 1 1 12 12 ASP H H 12 8.561 8.561 7.983 0.578 18475 6134 1 20 . 1 1 13 13 ALA N N 13 121.142 121.142 121.452 -0.310 18475 6135 1 20 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.331 -0.310 18475 6136 1 20 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.368 0.869 18475 6137 1 20 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.569 -1.060 18475 6138 1 20 . 1 1 13 13 ALA H H 13 7.870 7.870 7.682 0.188 18475 6139 1 20 . 1 1 14 14 ILE N N 14 119.983 119.983 119.390 0.593 18475 6140 1 20 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.671 -0.051 18475 6141 1 20 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.824 0.242 18475 6142 1 20 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.872 0.751 18475 6143 1 20 . 1 1 14 14 ILE H H 14 8.043 8.043 8.628 -0.585 18475 6144 1 20 . 1 1 15 15 CYS N N 15 117.727 117.727 116.751 0.976 18475 6145 1 20 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.440 0.037 18475 6146 1 20 . 1 1 15 15 CYS CA C 15 65.421 65.421 63.812 1.609 18475 6147 1 20 . 1 1 15 15 CYS CB C 15 26.368 26.368 25.929 0.439 18475 6148 1 20 . 1 1 15 15 CYS H H 15 8.477 8.477 8.609 -0.132 18475 6149 1 20 . 1 1 16 16 VAL N N 16 120.808 120.808 119.842 0.966 18475 6150 1 20 . 1 1 16 16 VAL HA H 16 3.318 3.318 4.003 -0.685 18475 6151 1 20 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.874 1.724 18475 6152 1 20 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.819 -0.436 18475 6153 1 20 . 1 1 16 16 VAL H H 16 8.477 8.477 8.080 0.397 18475 6154 1 20 . 1 1 17 17 ARG N N 17 119.589 119.589 119.498 0.091 18475 6155 1 20 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.188 -0.252 18475 6156 1 20 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.633 1.551 18475 6157 1 20 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.082 0.599 18475 6158 1 20 . 1 1 17 17 ARG H H 17 7.963 7.963 8.157 -0.194 18475 6159 1 20 . 1 1 18 18 TYR N N 18 113.897 113.897 118.022 -4.125 18475 6160 1 20 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.364 0.017 18475 6161 1 20 . 1 1 18 18 TYR CA C 18 61.111 61.111 59.922 1.189 18475 6162 1 20 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.756 0.255 18475 6163 1 20 . 1 1 18 18 TYR H H 18 7.833 7.833 8.156 -0.323 18475 6164 1 20 . 1 1 19 19 TYR N N 19 115.270 115.270 115.963 -0.693 18475 6165 1 20 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.643 0.102 18475 6166 1 20 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.930 -0.590 18475 6167 1 20 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.284 0.606 18475 6168 1 20 . 1 1 19 19 TYR H H 19 8.936 8.936 7.667 1.269 18475 6169 1 20 . 1 1 20 20 GLY N N 20 108.099 108.099 106.484 1.615 18475 6170 1 20 . 1 1 20 20 GLY CA C 20 45.800 45.800 44.963 0.837 18475 6171 1 20 . 1 1 20 20 GLY H H 20 7.921 7.921 8.391 -0.470 18475 6172 1 20 . 1 1 21 21 ARG N N 21 115.116 115.116 117.635 -2.519 18475 6173 1 20 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.678 0.055 18475 6174 1 20 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.517 0.203 18475 6175 1 20 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.559 -0.294 18475 6176 1 20 . 1 1 21 21 ARG H H 21 7.495 7.495 7.812 -0.317 18475 6177 1 20 . 1 1 22 22 THR N N 22 106.239 106.239 109.699 -3.460 18475 6178 1 20 . 1 1 22 22 THR HA H 22 4.320 4.320 4.421 -0.101 18475 6179 1 20 . 1 1 22 22 THR CA C 22 62.284 62.284 62.394 -0.110 18475 6180 1 20 . 1 1 22 22 THR CB C 22 69.292 69.292 70.037 -0.745 18475 6181 1 20 . 1 1 22 22 THR H H 22 8.162 8.162 8.336 -0.174 18475 6182 1 20 . 1 1 23 23 GLU N N 23 126.964 126.964 122.381 4.583 18475 6183 1 20 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.071 0.094 18475 6184 1 20 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.030 1.722 18475 6185 1 20 . 1 1 23 23 GLU CB C 23 28.980 28.980 29.102 -0.122 18475 6186 1 20 . 1 1 23 23 GLU H H 23 8.543 8.543 8.229 0.314 18475 6187 1 20 . 1 1 24 24 GLY N N 24 115.618 115.618 114.954 0.664 18475 6188 1 20 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.616 0.399 18475 6189 1 20 . 1 1 24 24 GLY H H 24 9.112 9.112 8.832 0.280 18475 6190 1 20 . 1 1 25 25 VAL N N 25 118.084 118.084 120.552 -2.468 18475 6191 1 20 . 1 1 25 25 VAL HA H 25 4.004 4.004 4.024 -0.020 18475 6192 1 20 . 1 1 25 25 VAL CA C 25 63.479 63.479 62.646 0.833 18475 6193 1 20 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.063 1.820 18475 6194 1 20 . 1 1 25 25 VAL H H 25 7.860 7.860 7.358 0.502 18475 6195 1 20 . 1 1 26 26 VAL N N 26 121.094 121.094 117.179 3.915 18475 6196 1 20 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.746 0.011 18475 6197 1 20 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.722 1.139 18475 6198 1 20 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.024 0.866 18475 6199 1 20 . 1 1 26 26 VAL H H 26 8.101 8.101 7.898 0.203 18475 6200 1 20 . 1 1 27 27 GLU N N 27 119.186 119.186 118.678 0.508 18475 6201 1 20 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.140 -0.158 18475 6202 1 20 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.328 1.332 18475 6203 1 20 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.031 -0.575 18475 6204 1 20 . 1 1 27 27 GLU H H 27 8.910 8.910 8.718 0.192 18475 6205 1 20 . 1 1 28 28 THR N N 28 117.846 117.846 117.196 0.650 18475 6206 1 20 . 1 1 28 28 THR HA H 28 3.980 3.980 4.058 -0.078 18475 6207 1 20 . 1 1 28 28 THR CA C 28 66.119 66.119 66.221 -0.102 18475 6208 1 20 . 1 1 28 28 THR CB C 28 68.459 68.459 68.821 -0.362 18475 6209 1 20 . 1 1 28 28 THR H H 28 7.502 7.502 7.763 -0.261 18475 6210 1 20 . 1 1 29 29 VAL N N 29 123.919 123.919 121.672 2.247 18475 6211 1 20 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.758 -0.331 18475 6212 1 20 . 1 1 29 29 VAL CA C 29 67.399 67.399 65.991 1.408 18475 6213 1 20 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.846 0.719 18475 6214 1 20 . 1 1 29 29 VAL H H 29 8.025 8.025 7.749 0.276 18475 6215 1 20 . 1 1 30 30 LEU N N 30 122.820 122.820 120.320 2.500 18475 6216 1 20 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.120 -0.145 18475 6217 1 20 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.363 1.589 18475 6218 1 20 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.385 0.075 18475 6219 1 20 . 1 1 30 30 LEU H H 30 8.971 8.971 7.555 1.416 18475 6220 1 20 . 1 1 31 31 ALA N N 31 120.021 120.021 120.463 -0.442 18475 6221 1 20 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.095 0.003 18475 6222 1 20 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.412 0.159 18475 6223 1 20 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.147 -0.232 18475 6224 1 20 . 1 1 31 31 ALA H H 31 7.652 7.652 7.593 0.059 18475 6225 1 20 . 1 1 32 32 ALA N N 32 117.285 117.285 120.129 -2.844 18475 6226 1 20 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.208 0.186 18475 6227 1 20 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.126 -1.102 18475 6228 1 20 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.951 -0.584 18475 6229 1 20 . 1 1 32 32 ALA H H 32 7.278 7.278 7.636 -0.358 18475 6230 1 20 . 1 1 33 33 ASN N N 33 116.716 116.716 117.066 -0.350 18475 6231 1 20 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.122 0.064 18475 6232 1 20 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.951 0.278 18475 6233 1 20 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.236 2.177 18475 6234 1 20 . 1 1 33 33 ASN H H 33 7.536 7.536 8.038 -0.502 18475 6235 1 20 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.627 -0.140 18475 6236 1 20 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.984 0.776 18475 6237 1 20 . 1 1 34 34 PRO CB C 34 31.414 31.414 31.844 -0.430 18475 6238 1 20 . 1 1 35 35 GLY N N 35 110.626 110.626 111.207 -0.581 18475 6239 1 20 . 1 1 35 35 GLY CA C 35 45.640 45.640 44.946 0.694 18475 6240 1 20 . 1 1 35 35 GLY H H 35 8.911 8.911 8.330 0.581 18475 6241 1 20 . 1 1 36 36 LEU N N 36 121.614 121.614 123.108 -1.494 18475 6242 1 20 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.143 0.104 18475 6243 1 20 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.808 -1.084 18475 6244 1 20 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.138 0.843 18475 6245 1 20 . 1 1 36 36 LEU H H 36 7.974 7.974 7.489 0.485 18475 6246 1 20 . 1 1 37 37 ALA N N 37 120.690 120.690 118.433 2.257 18475 6247 1 20 . 1 1 37 37 ALA HA H 37 4.143 4.143 3.995 0.148 18475 6248 1 20 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.574 -0.132 18475 6249 1 20 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.428 0.570 18475 6250 1 20 . 1 1 37 37 ALA H H 37 8.215 8.215 8.547 -0.332 18475 6251 1 20 . 1 1 38 38 GLU N N 38 115.505 115.505 116.771 -1.266 18475 6252 1 20 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.184 0.107 18475 6253 1 20 . 1 1 38 38 GLU CA C 38 56.988 56.988 57.166 -0.178 18475 6254 1 20 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.381 0.458 18475 6255 1 20 . 1 1 38 38 GLU H H 38 7.982 7.982 7.631 0.351 18475 6256 1 20 . 1 1 39 39 LEU N N 39 119.888 119.888 119.428 0.460 18475 6257 1 20 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.087 0.182 18475 6258 1 20 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.751 -0.811 18475 6259 1 20 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.018 0.290 18475 6260 1 20 . 1 1 39 39 LEU H H 39 7.760 7.760 7.760 -0.000 18475 6261 1 20 . 1 1 40 40 GLY N N 40 105.788 105.788 103.242 2.546 18475 6262 1 20 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.621 -0.171 18475 6263 1 20 . 1 1 40 40 GLY H H 40 7.863 7.863 7.576 0.287 18475 6264 1 20 . 1 1 41 41 ALA N N 41 120.963 120.963 123.489 -2.526 18475 6265 1 20 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.462 -0.281 18475 6266 1 20 . 1 1 41 41 ALA CA C 41 54.089 54.089 52.907 1.182 18475 6267 1 20 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.260 0.161 18475 6268 1 20 . 1 1 41 41 ALA H H 41 7.956 7.956 8.338 -0.382 18475 6269 1 20 . 1 1 42 42 VAL N N 42 116.969 116.969 119.082 -2.113 18475 6270 1 20 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.251 -0.045 18475 6271 1 20 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.391 0.267 18475 6272 1 20 . 1 1 42 42 VAL CB C 42 32.330 32.330 34.606 -2.276 18475 6273 1 20 . 1 1 42 42 VAL H H 42 7.848 7.848 7.571 0.277 18475 6274 1 20 . 1 1 43 43 LEU N N 43 129.206 129.206 124.625 4.581 18475 6275 1 20 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.846 -0.375 18475 6276 1 20 . 1 1 43 43 LEU CA C 43 52.410 52.410 50.704 1.706 18475 6277 1 20 . 1 1 43 43 LEU CB C 43 42.204 42.204 40.973 1.231 18475 6278 1 20 . 1 1 43 43 LEU H H 43 8.764 8.764 8.078 0.686 18475 6279 1 20 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.597 -0.167 18475 6280 1 20 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.507 -0.081 18475 6281 1 20 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.409 -0.552 18475 6282 1 20 . 1 1 45 45 HIS N N 45 126.707 126.707 117.256 9.451 18475 6283 1 20 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.512 -0.495 18475 6284 1 20 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.176 1.571 18475 6285 1 20 . 1 1 45 45 HIS CB C 45 31.007 31.007 29.592 1.415 18475 6286 1 20 . 1 1 45 45 HIS H H 45 8.880 8.880 8.536 0.344 18475 6287 1 20 . 1 1 46 46 GLY N N 46 115.148 115.148 114.063 1.085 18475 6288 1 20 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.937 0.154 18475 6289 1 20 . 1 1 46 46 GLY H H 46 9.143 9.143 9.094 0.049 18475 6290 1 20 . 1 1 47 47 THR N N 47 117.455 117.455 120.517 -3.062 18475 6291 1 20 . 1 1 47 47 THR HA H 47 3.919 3.919 4.122 -0.203 18475 6292 1 20 . 1 1 47 47 THR CA C 47 65.329 65.329 64.645 0.684 18475 6293 1 20 . 1 1 47 47 THR CB C 47 70.171 70.171 69.224 0.947 18475 6294 1 20 . 1 1 47 47 THR H H 47 7.680 7.680 7.648 0.032 18475 6295 1 20 . 1 1 48 48 ALA N N 48 131.425 131.425 130.825 0.600 18475 6296 1 20 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.974 -0.506 18475 6297 1 20 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.475 0.579 18475 6298 1 20 . 1 1 48 48 ALA CB C 48 19.536 19.536 20.523 -0.987 18475 6299 1 20 . 1 1 48 48 ALA H H 48 8.777 8.777 8.345 0.432 18475 6300 1 20 . 1 1 49 49 VAL N N 49 122.720 122.720 120.976 1.744 18475 6301 1 20 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.478 -0.520 18475 6302 1 20 . 1 1 49 49 VAL CA C 49 61.422 61.422 60.141 1.281 18475 6303 1 20 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.754 -0.780 18475 6304 1 20 . 1 1 49 49 VAL H H 49 8.564 8.564 8.254 0.310 18475 6305 1 20 . 1 1 50 50 GLU N N 50 129.105 129.105 126.012 3.093 18475 6306 1 20 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.381 -0.053 18475 6307 1 20 . 1 1 50 50 GLU CA C 50 55.869 55.869 55.726 0.143 18475 6308 1 20 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.138 -0.361 18475 6309 1 20 . 1 1 50 50 GLU H H 50 9.632 9.632 8.594 1.038 18475 6310 1 20 . 1 1 51 51 LEU N N 51 126.085 126.085 128.010 -1.925 18475 6311 1 20 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.744 0.200 18475 6312 1 20 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.933 -0.949 18475 6313 1 20 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.325 -0.406 18475 6314 1 20 . 1 1 51 51 LEU H H 51 8.474 8.474 7.730 0.744 18475 6315 1 20 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.432 0.060 18475 6316 1 20 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.870 -0.740 18475 6317 1 20 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.235 0.352 18475 6318 1 20 . 1 1 53 53 ASP N N 53 120.950 120.950 117.544 3.406 18475 6319 1 20 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.378 0.297 18475 6320 1 20 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.443 -0.323 18475 6321 1 20 . 1 1 53 53 ASP CB C 53 40.490 40.490 39.669 0.821 18475 6322 1 20 . 1 1 53 53 ASP H H 53 8.737 8.737 8.612 0.125 18475 6323 1 20 . 1 1 54 54 VAL N N 54 121.459 121.459 118.996 2.463 18475 6324 1 20 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.363 -0.166 18475 6325 1 20 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.444 0.586 18475 6326 1 20 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.091 -0.764 18475 6327 1 20 . 1 1 54 54 VAL H H 54 8.161 8.161 8.020 0.141 18475 6328 1 20 . 1 1 55 55 GLN N N 55 124.703 124.703 123.263 1.440 18475 6329 1 20 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.670 -0.239 18475 6330 1 20 . 1 1 55 55 GLN CA C 55 56.109 56.109 54.339 1.770 18475 6331 1 20 . 1 1 55 55 GLN CB C 55 29.484 29.484 30.267 -0.783 18475 6332 1 20 . 1 1 55 55 GLN H H 55 8.623 8.623 8.325 0.298 18475 6333 1 20 . 1 1 56 56 THR HA H 56 4.332 4.332 4.119 0.213 18475 6334 1 20 . 1 1 56 56 THR CA C 56 61.688 61.688 63.825 -2.137 18475 6335 1 20 . 1 1 56 56 THR CB C 56 69.969 69.969 68.840 1.129 18475 6336 1 20 . 1 1 57 57 ALA N N 57 127.534 127.534 129.942 -2.408 18475 6337 1 20 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.569 0.084 18475 6338 1 20 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.030 0.542 18475 6339 1 20 . 1 1 57 57 ALA CB C 57 18.397 18.397 19.862 -1.465 18475 6340 1 20 . 1 1 57 57 ALA H H 57 8.277 8.277 8.172 0.105 18475 6341 1 20 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.585 -0.101 18475 6342 1 20 . 1 1 58 58 PRO CA C 58 62.410 62.410 63.201 -0.791 18475 6343 1 20 . 1 1 58 58 PRO CB C 58 32.030 32.030 31.331 0.699 18475 6344 1 20 . 1 1 59 59 VAL N N 59 120.618 120.618 122.360 -1.742 18475 6345 1 20 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.377 -0.310 18475 6346 1 20 . 1 1 59 59 VAL CA C 59 62.396 62.396 59.592 2.804 18475 6347 1 20 . 1 1 59 59 VAL CB C 59 32.832 32.832 33.502 -0.670 18475 6348 1 20 . 1 1 59 59 VAL H H 59 8.219 8.219 7.879 0.340 18475 6349 1 20 . 1 1 60 60 ALA N N 60 127.858 127.858 122.500 5.358 18475 6350 1 20 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.542 -0.220 18475 6351 1 20 . 1 1 60 60 ALA CA C 60 52.641 52.641 51.765 0.876 18475 6352 1 20 . 1 1 60 60 ALA CB C 60 19.368 19.368 18.173 1.195 18475 6353 1 20 . 1 1 60 60 ALA H H 60 8.399 8.399 8.321 0.078 18475 6354 1 20 . 1 1 61 61 GLU N N 61 120.215 120.215 119.875 0.340 18475 6355 1 20 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.486 -0.181 18475 6356 1 20 . 1 1 61 61 GLU CA C 61 56.778 56.778 55.566 1.212 18475 6357 1 20 . 1 1 61 61 GLU CB C 61 30.357 30.357 30.513 -0.156 18475 6358 1 20 . 1 1 61 61 GLU H H 61 8.405 8.405 8.086 0.319 18475 6359 1 20 . 1 1 62 62 THR N N 62 115.392 115.392 111.924 3.468 18475 6360 1 20 . 1 1 62 62 THR HA H 62 4.327 4.327 4.479 -0.152 18475 6361 1 20 . 1 1 62 62 THR CA C 62 61.984 61.984 60.607 1.377 18475 6362 1 20 . 1 1 62 62 THR CB C 62 69.856 69.856 70.875 -1.019 18475 6363 1 20 . 1 1 62 62 THR H H 62 8.166 8.166 7.563 0.603 18475 6364 1 20 . 1 1 63 63 VAL N N 63 122.511 122.511 120.095 2.416 18475 6365 1 20 . 1 1 63 63 VAL HA H 63 4.047 4.047 3.745 0.302 18475 6366 1 20 . 1 1 63 63 VAL CA C 63 62.272 62.272 63.495 -1.223 18475 6367 1 20 . 1 1 63 63 VAL CB C 63 32.853 32.853 30.936 1.917 18475 6368 1 20 . 1 1 63 63 VAL H H 63 8.099 8.099 8.463 -0.364 18475 6369 1 20 . 1 1 64 64 ASN N N 64 122.642 122.642 121.985 0.657 18475 6370 1 20 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.641 -0.018 18475 6371 1 20 . 1 1 64 64 ASN CA C 64 52.901 52.901 52.483 0.418 18475 6372 1 20 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.920 -0.379 18475 6373 1 20 . 1 1 64 64 ASN H H 64 8.471 8.471 8.076 0.395 18475 6374 1 20 . 1 1 65 65 LEU N N 65 123.365 123.365 115.558 7.807 18475 6375 1 20 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.711 -0.547 18475 6376 1 20 . 1 1 65 65 LEU CA C 65 56.164 56.164 53.857 2.307 18475 6377 1 20 . 1 1 65 65 LEU CB C 65 41.989 41.989 44.132 -2.143 18475 6378 1 20 . 1 1 65 65 LEU H H 65 8.226 8.226 7.877 0.349 18475 6379 1 20 . 1 1 66 66 TRP N N 66 119.270 119.270 121.446 -2.176 18475 6380 1 20 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.908 -0.264 18475 6381 1 20 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.871 -0.053 18475 6382 1 20 . 1 1 66 66 TRP CB C 66 29.145 29.145 30.245 -1.100 18475 6383 1 20 . 1 1 66 66 TRP H H 66 7.886 7.886 8.354 -0.468 18475 6384 1 20 . 1 1 67 67 GLU N N 67 121.087 121.087 120.979 0.108 18475 6385 1 20 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.585 -0.361 18475 6386 1 20 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.647 0.336 18475 6387 1 20 . 1 1 67 67 GLU CB C 67 30.211 30.211 29.629 0.582 18475 6388 1 20 . 1 1 67 67 GLU H H 67 7.982 7.982 7.970 0.012 18475 6389 1 20 . 1 1 68 68 VAL N N 68 119.603 119.603 122.873 -3.270 18475 6390 1 20 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.242 -0.255 18475 6391 1 20 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.960 -0.131 18475 6392 1 20 . 1 1 68 68 VAL CB C 68 32.734 32.734 33.030 -0.296 18475 6393 1 20 . 1 1 68 68 VAL H H 68 7.836 7.836 8.366 -0.530 18475 6394 1 20 . 1 1 69 69 GLU N N 69 122.754 122.754 121.647 1.107 18475 6395 1 20 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.273 -0.090 18475 6396 1 20 . 1 1 69 69 GLU CA C 69 56.886 56.886 55.547 1.339 18475 6397 1 20 . 1 1 69 69 GLU CB C 69 30.236 30.236 27.753 2.483 18475 6398 1 20 . 1 1 69 69 GLU H H 69 8.287 8.287 8.482 -0.195 18475 6399 1 20 . 1 1 70 70 HIS N N 70 119.727 119.727 119.313 0.414 18475 6400 1 20 . 1 1 70 70 HIS H H 70 8.145 8.145 7.644 0.501 18475 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 64 2.669 -0.147 2.686 18475 2 1 1 "Average Difference" HA 62 0.249 0.052 0.245 18475 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18475 4 1 1 "Average Difference" CA 68 1.068 -0.309 1.029 18475 5 1 1 "Average Difference" CB 62 1.090 -0.085 1.095 18475 6 1 1 "Average Difference" HN 64 0.490 -0.162 0.466 18475 7 1 2 "Average Difference" N 64 2.716 -0.209 2.729 18475 8 1 2 "Average Difference" HA 62 0.220 0.040 0.218 18475 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18475 10 1 2 "Average Difference" CA 68 0.962 -0.273 0.930 18475 11 1 2 "Average Difference" CB 62 1.121 -0.144 1.121 18475 12 1 2 "Average Difference" HN 64 0.487 -0.142 0.469 18475 13 1 3 "Average Difference" N 64 2.903 -0.535 2.876 18475 14 1 3 "Average Difference" HA 62 0.279 0.073 0.271 18475 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18475 16 1 3 "Average Difference" CA 68 1.096 -0.367 1.040 18475 17 1 3 "Average Difference" CB 62 1.186 0.048 1.195 18475 18 1 3 "Average Difference" HN 64 0.536 -0.144 0.520 18475 19 1 4 "Average Difference" N 64 2.331 -0.237 2.337 18475 20 1 4 "Average Difference" HA 62 0.268 0.096 0.252 18475 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18475 22 1 4 "Average Difference" CA 68 1.005 -0.393 0.932 18475 23 1 4 "Average Difference" CB 62 1.020 -0.093 1.024 18475 24 1 4 "Average Difference" HN 64 0.463 -0.132 0.447 18475 25 1 5 "Average Difference" N 64 2.738 -0.405 2.729 18475 26 1 5 "Average Difference" HA 62 0.295 0.101 0.279 18475 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18475 28 1 5 "Average Difference" CA 68 0.947 -0.382 0.873 18475 29 1 5 "Average Difference" CB 62 1.130 -0.031 1.139 18475 30 1 5 "Average Difference" HN 64 0.503 -0.121 0.492 18475 31 1 6 "Average Difference" N 64 2.550 -0.208 2.561 18475 32 1 6 "Average Difference" HA 62 0.292 0.091 0.280 18475 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18475 34 1 6 "Average Difference" CA 68 1.016 -0.293 0.980 18475 35 1 6 "Average Difference" CB 62 1.099 -0.046 1.107 18475 36 1 6 "Average Difference" HN 64 0.485 -0.101 0.478 18475 37 1 7 "Average Difference" N 64 2.407 -0.380 2.396 18475 38 1 7 "Average Difference" HA 62 0.279 0.081 0.269 18475 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18475 40 1 7 "Average Difference" CA 68 1.022 -0.319 0.978 18475 41 1 7 "Average Difference" CB 62 1.091 -0.014 1.100 18475 42 1 7 "Average Difference" HN 64 0.483 -0.106 0.475 18475 43 1 8 "Average Difference" N 64 2.658 -0.255 2.667 18475 44 1 8 "Average Difference" HA 62 0.240 0.033 0.240 18475 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18475 46 1 8 "Average Difference" CA 68 0.967 -0.192 0.955 18475 47 1 8 "Average Difference" CB 62 0.995 -0.182 0.987 18475 48 1 8 "Average Difference" HN 64 0.507 -0.131 0.493 18475 49 1 9 "Average Difference" N 64 2.630 -0.270 2.637 18475 50 1 9 "Average Difference" HA 62 0.277 0.048 0.275 18475 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18475 52 1 9 "Average Difference" CA 68 1.016 -0.317 0.972 18475 53 1 9 "Average Difference" CB 62 1.131 -0.001 1.140 18475 54 1 9 "Average Difference" HN 64 0.514 -0.166 0.491 18475 55 1 10 "Average Difference" N 64 2.896 -0.384 2.893 18475 56 1 10 "Average Difference" HA 62 0.288 0.075 0.281 18475 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18475 58 1 10 "Average Difference" CA 68 1.084 -0.311 1.046 18475 59 1 10 "Average Difference" CB 62 0.962 -0.003 0.970 18475 60 1 10 "Average Difference" HN 64 0.512 -0.161 0.490 18475 61 1 11 "Average Difference" N 64 2.770 -0.603 2.725 18475 62 1 11 "Average Difference" HA 62 0.274 0.067 0.268 18475 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18475 64 1 11 "Average Difference" CA 68 1.009 -0.263 0.981 18475 65 1 11 "Average Difference" CB 62 1.024 -0.162 1.020 18475 66 1 11 "Average Difference" HN 64 0.521 -0.158 0.501 18475 67 1 12 "Average Difference" N 64 3.111 -0.648 3.067 18475 68 1 12 "Average Difference" HA 62 0.302 0.065 0.297 18475 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18475 70 1 12 "Average Difference" CA 68 1.131 -0.306 1.096 18475 71 1 12 "Average Difference" CB 62 1.096 -0.123 1.097 18475 72 1 12 "Average Difference" HN 64 0.545 -0.163 0.525 18475 73 1 13 "Average Difference" N 64 2.853 -0.340 2.855 18475 74 1 13 "Average Difference" HA 62 0.287 0.106 0.268 18475 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18475 76 1 13 "Average Difference" CA 68 1.040 -0.380 0.975 18475 77 1 13 "Average Difference" CB 62 1.113 0.016 1.122 18475 78 1 13 "Average Difference" HN 64 0.507 -0.154 0.487 18475 79 1 14 "Average Difference" N 64 2.523 -0.227 2.533 18475 80 1 14 "Average Difference" HA 62 0.289 0.094 0.276 18475 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18475 82 1 14 "Average Difference" CA 68 1.013 -0.410 0.933 18475 83 1 14 "Average Difference" CB 62 0.962 -0.020 0.970 18475 84 1 14 "Average Difference" HN 64 0.526 -0.114 0.518 18475 85 1 15 "Average Difference" N 64 2.806 -1.028 2.632 18475 86 1 15 "Average Difference" HA 62 0.224 0.041 0.222 18475 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18475 88 1 15 "Average Difference" CA 68 0.997 -0.311 0.954 18475 89 1 15 "Average Difference" CB 62 1.167 -0.073 1.174 18475 90 1 15 "Average Difference" HN 64 0.513 -0.174 0.486 18475 91 1 16 "Average Difference" N 64 2.416 -0.218 2.425 18475 92 1 16 "Average Difference" HA 62 0.270 0.058 0.266 18475 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18475 94 1 16 "Average Difference" CA 68 1.100 -0.318 1.061 18475 95 1 16 "Average Difference" CB 62 1.079 -0.133 1.079 18475 96 1 16 "Average Difference" HN 64 0.491 -0.155 0.470 18475 97 1 17 "Average Difference" N 64 2.683 -0.264 2.691 18475 98 1 17 "Average Difference" HA 62 0.276 0.029 0.277 18475 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18475 100 1 17 "Average Difference" CA 68 1.067 -0.280 1.037 18475 101 1 17 "Average Difference" CB 62 1.018 -0.238 0.998 18475 102 1 17 "Average Difference" HN 64 0.484 -0.111 0.475 18475 103 1 18 "Average Difference" N 64 2.656 -0.367 2.651 18475 104 1 18 "Average Difference" HA 62 0.244 0.064 0.238 18475 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18475 106 1 18 "Average Difference" CA 68 0.958 -0.369 0.891 18475 107 1 18 "Average Difference" CB 62 1.135 -0.109 1.139 18475 108 1 18 "Average Difference" HN 64 0.505 -0.167 0.481 18475 109 1 19 "Average Difference" N 64 2.703 -0.091 2.723 18475 110 1 19 "Average Difference" HA 62 0.254 0.052 0.251 18475 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18475 112 1 19 "Average Difference" CA 68 0.985 -0.289 0.949 18475 113 1 19 "Average Difference" CB 62 0.958 -0.037 0.965 18475 114 1 19 "Average Difference" HN 64 0.493 -0.152 0.473 18475 115 1 20 "Average Difference" N 64 2.943 -0.729 2.874 18475 116 1 20 "Average Difference" HA 62 0.266 0.084 0.254 18475 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18475 118 1 20 "Average Difference" CA 68 1.102 -0.426 1.024 18475 119 1 20 "Average Difference" CB 62 1.112 -0.057 1.120 18475 120 1 20 "Average Difference" HN 64 0.510 -0.198 0.473 18475 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 18475 _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 LYS N N 2 125.102 125.102 121.641 3.461 18475 2 1 . 1 1 2 2 LYS HA H 2 4.790 4.790 5.274 -0.484 18475 3 1 . 1 1 2 2 LYS CA C 2 55.349 55.349 54.862 0.487 18475 4 1 . 1 1 2 2 LYS CB C 2 34.348 34.348 35.487 -1.139 18475 5 1 . 1 1 2 2 LYS H H 2 8.576 8.576 7.990 0.586 18475 6 1 . 1 1 3 3 THR N N 3 118.344 118.344 114.988 3.356 18475 7 1 . 1 1 3 3 THR HA H 3 4.431 4.431 4.274 0.158 18475 8 1 . 1 1 3 3 THR CA C 3 58.999 58.999 60.239 -1.240 18475 9 1 . 1 1 3 3 THR CB C 3 70.310 70.310 70.266 0.044 18475 10 1 . 1 1 3 3 THR H H 3 8.411 8.411 8.196 0.215 18475 11 1 . 1 1 4 4 PHE N N 4 119.203 119.203 122.002 -2.799 18475 12 1 . 1 1 4 4 PHE HA H 4 5.265 5.265 4.766 0.499 18475 13 1 . 1 1 4 4 PHE CA C 4 55.599 55.599 56.345 -0.746 18475 14 1 . 1 1 4 4 PHE CB C 4 41.521 41.521 39.085 2.436 18475 15 1 . 1 1 4 4 PHE H H 4 7.738 7.738 8.094 -0.356 18475 16 1 . 1 1 5 5 ALA N N 5 125.356 125.356 127.022 -1.666 18475 17 1 . 1 1 5 5 ALA HA H 5 4.324 4.324 4.670 -0.346 18475 18 1 . 1 1 5 5 ALA CA C 5 52.714 52.714 51.483 1.231 18475 19 1 . 1 1 5 5 ALA CB C 5 19.937 19.937 19.834 0.103 18475 20 1 . 1 1 5 5 ALA H H 5 9.071 9.071 8.904 0.167 18475 21 1 . 1 1 6 6 LEU N N 6 126.309 126.309 122.920 3.389 18475 22 1 . 1 1 6 6 LEU HA H 6 4.508 4.508 4.713 -0.205 18475 23 1 . 1 1 6 6 LEU CA C 6 53.397 53.397 52.859 0.538 18475 24 1 . 1 1 6 6 LEU CB C 6 42.307 42.307 44.767 -2.460 18475 25 1 . 1 1 6 6 LEU H H 6 9.657 9.657 8.164 1.493 18475 26 1 . 1 1 7 7 GLN N N 7 119.930 119.930 121.337 -1.407 18475 27 1 . 1 1 7 7 GLN HA H 7 4.177 4.177 4.091 0.086 18475 28 1 . 1 1 7 7 GLN CA C 7 57.510 57.510 57.709 -0.199 18475 29 1 . 1 1 7 7 GLN CB C 7 27.938 27.938 28.654 -0.716 18475 30 1 . 1 1 7 7 GLN H H 7 8.647 8.647 8.684 -0.037 18475 31 1 . 1 1 8 8 GLY N N 8 117.081 117.081 113.975 3.106 18475 32 1 . 1 1 8 8 GLY CA C 8 45.345 45.345 45.630 -0.285 18475 33 1 . 1 1 8 8 GLY H H 8 9.812 9.812 8.957 0.855 18475 34 1 . 1 1 9 9 ASP N N 9 121.569 121.569 118.840 2.729 18475 35 1 . 1 1 9 9 ASP HA H 9 4.659 4.659 4.948 -0.289 18475 36 1 . 1 1 9 9 ASP CA C 9 55.639 55.639 53.450 2.189 18475 37 1 . 1 1 9 9 ASP CB C 9 42.127 42.127 41.718 0.409 18475 38 1 . 1 1 9 9 ASP H H 9 8.085 8.085 8.446 -0.361 18475 39 1 . 1 1 10 10 THR N N 10 106.071 106.071 111.350 -5.279 18475 40 1 . 1 1 10 10 THR HA H 10 4.984 4.984 4.343 0.641 18475 41 1 . 1 1 10 10 THR CA C 10 58.309 58.309 60.943 -2.634 18475 42 1 . 1 1 10 10 THR CB C 10 72.680 72.680 70.404 2.276 18475 43 1 . 1 1 10 10 THR H H 10 6.920 6.920 7.455 -0.535 18475 44 1 . 1 1 11 11 LEU N N 11 122.591 122.591 120.276 2.315 18475 45 1 . 1 1 11 11 LEU HA H 11 4.131 4.131 3.968 0.163 18475 46 1 . 1 1 11 11 LEU CA C 11 58.327 58.327 58.669 -0.343 18475 47 1 . 1 1 11 11 LEU CB C 11 41.422 41.422 41.465 -0.043 18475 48 1 . 1 1 11 11 LEU H H 11 9.621 9.621 8.613 1.008 18475 49 1 . 1 1 12 12 ASP N N 12 118.388 118.388 118.953 -0.565 18475 50 1 . 1 1 12 12 ASP HA H 12 4.141 4.141 4.355 -0.214 18475 51 1 . 1 1 12 12 ASP CA C 12 57.809 57.809 57.239 0.570 18475 52 1 . 1 1 12 12 ASP CB C 12 40.466 40.466 40.638 -0.173 18475 53 1 . 1 1 12 12 ASP H H 12 8.561 8.561 8.022 0.539 18475 54 1 . 1 1 13 13 ALA N N 13 121.142 121.142 121.198 -0.056 18475 55 1 . 1 1 13 13 ALA HA H 13 4.021 4.021 4.317 -0.296 18475 56 1 . 1 1 13 13 ALA CA C 13 55.237 55.237 54.297 0.940 18475 57 1 . 1 1 13 13 ALA CB C 13 18.509 18.509 19.463 -0.954 18475 58 1 . 1 1 13 13 ALA H H 13 7.870 7.870 7.633 0.237 18475 59 1 . 1 1 14 14 ILE N N 14 119.983 119.983 119.555 0.428 18475 60 1 . 1 1 14 14 ILE HA H 14 3.620 3.620 3.650 -0.030 18475 61 1 . 1 1 14 14 ILE CA C 14 66.066 66.066 65.781 0.285 18475 62 1 . 1 1 14 14 ILE CB C 14 38.623 38.623 37.846 0.777 18475 63 1 . 1 1 14 14 ILE H H 14 8.043 8.043 8.604 -0.561 18475 64 1 . 1 1 15 15 CYS N N 15 117.727 117.727 116.660 1.067 18475 65 1 . 1 1 15 15 CYS HA H 15 4.477 4.477 4.379 0.098 18475 66 1 . 1 1 15 15 CYS CA C 15 65.421 65.421 64.307 1.114 18475 67 1 . 1 1 15 15 CYS CB C 15 26.368 26.368 26.618 -0.250 18475 68 1 . 1 1 15 15 CYS H H 15 8.477 8.477 8.566 -0.088 18475 69 1 . 1 1 16 16 VAL N N 16 120.808 120.808 119.366 1.442 18475 70 1 . 1 1 16 16 VAL HA H 16 3.318 3.318 3.977 -0.659 18475 71 1 . 1 1 16 16 VAL CA C 16 67.598 67.598 65.753 1.845 18475 72 1 . 1 1 16 16 VAL CB C 16 31.383 31.383 31.680 -0.297 18475 73 1 . 1 1 16 16 VAL H H 16 8.477 8.477 8.039 0.438 18475 74 1 . 1 1 17 17 ARG N N 17 119.589 119.589 119.529 0.060 18475 75 1 . 1 1 17 17 ARG HA H 17 3.936 3.936 4.179 -0.243 18475 76 1 . 1 1 17 17 ARG CA C 17 60.184 60.184 58.606 1.578 18475 77 1 . 1 1 17 17 ARG CB C 17 30.681 30.681 30.220 0.461 18475 78 1 . 1 1 17 17 ARG H H 17 7.963 7.963 8.164 -0.201 18475 79 1 . 1 1 18 18 TYR N N 18 113.897 113.897 117.295 -3.398 18475 80 1 . 1 1 18 18 TYR HA H 18 4.381 4.381 4.327 0.054 18475 81 1 . 1 1 18 18 TYR CA C 18 61.111 61.111 60.135 0.976 18475 82 1 . 1 1 18 18 TYR CB C 18 40.011 40.011 39.526 0.485 18475 83 1 . 1 1 18 18 TYR H H 18 7.833 7.833 8.121 -0.288 18475 84 1 . 1 1 19 19 TYR N N 19 115.270 115.270 115.183 0.087 18475 85 1 . 1 1 19 19 TYR HA H 19 4.745 4.745 4.582 0.163 18475 86 1 . 1 1 19 19 TYR CA C 19 58.340 58.340 58.936 -0.596 18475 87 1 . 1 1 19 19 TYR CB C 19 39.890 39.890 39.451 0.439 18475 88 1 . 1 1 19 19 TYR H H 19 8.936 8.936 7.684 1.252 18475 89 1 . 1 1 20 20 GLY N N 20 108.099 108.099 105.992 2.107 18475 90 1 . 1 1 20 20 GLY CA C 20 45.800 45.800 45.122 0.678 18475 91 1 . 1 1 20 20 GLY H H 20 7.921 7.921 8.469 -0.548 18475 92 1 . 1 1 21 21 ARG N N 21 115.116 115.116 117.393 -2.277 18475 93 1 . 1 1 21 21 ARG HA H 21 4.733 4.733 4.664 0.069 18475 94 1 . 1 1 21 21 ARG CA C 21 54.720 54.720 54.566 0.155 18475 95 1 . 1 1 21 21 ARG CB C 21 31.265 31.265 31.502 -0.237 18475 96 1 . 1 1 21 21 ARG H H 21 7.495 7.495 7.772 -0.277 18475 97 1 . 1 1 22 22 THR N N 22 106.239 106.239 109.041 -2.802 18475 98 1 . 1 1 22 22 THR HA H 22 4.320 4.320 4.429 -0.109 18475 99 1 . 1 1 22 22 THR CA C 22 62.284 62.284 62.297 -0.012 18475 100 1 . 1 1 22 22 THR CB C 22 69.292 69.292 69.906 -0.614 18475 101 1 . 1 1 22 22 THR H H 22 8.162 8.162 8.310 -0.148 18475 102 1 . 1 1 23 23 GLU N N 23 126.964 126.964 122.824 4.140 18475 103 1 . 1 1 23 23 GLU HA H 23 4.165 4.165 4.104 0.061 18475 104 1 . 1 1 23 23 GLU CA C 23 58.752 58.752 57.074 1.678 18475 105 1 . 1 1 23 23 GLU CB C 23 28.980 28.980 28.893 0.087 18475 106 1 . 1 1 23 23 GLU H H 23 8.543 8.543 8.212 0.331 18475 107 1 . 1 1 24 24 GLY N N 24 115.618 115.618 113.875 1.743 18475 108 1 . 1 1 24 24 GLY CA C 24 46.015 46.015 45.715 0.300 18475 109 1 . 1 1 24 24 GLY H H 24 9.112 9.112 8.592 0.520 18475 110 1 . 1 1 25 25 VAL N N 25 118.084 118.084 120.517 -2.433 18475 111 1 . 1 1 25 25 VAL HA H 25 4.004 4.004 3.970 0.034 18475 112 1 . 1 1 25 25 VAL CA C 25 63.479 63.479 63.732 -0.253 18475 113 1 . 1 1 25 25 VAL CB C 25 33.883 33.883 32.401 1.482 18475 114 1 . 1 1 25 25 VAL H H 25 7.860 7.860 7.354 0.506 18475 115 1 . 1 1 26 26 VAL N N 26 121.094 121.094 117.520 3.574 18475 116 1 . 1 1 26 26 VAL HA H 26 3.757 3.757 3.700 0.056 18475 117 1 . 1 1 26 26 VAL CA C 26 66.861 66.861 65.913 0.948 18475 118 1 . 1 1 26 26 VAL CB C 26 31.890 31.890 31.044 0.846 18475 119 1 . 1 1 26 26 VAL H H 26 8.101 8.101 7.848 0.253 18475 120 1 . 1 1 27 27 GLU N N 27 119.186 119.186 119.092 0.094 18475 121 1 . 1 1 27 27 GLU HA H 27 3.982 3.982 4.092 -0.111 18475 122 1 . 1 1 27 27 GLU CA C 27 60.660 60.660 59.237 1.423 18475 123 1 . 1 1 27 27 GLU CB C 27 28.456 28.456 29.014 -0.558 18475 124 1 . 1 1 27 27 GLU H H 27 8.910 8.910 8.746 0.164 18475 125 1 . 1 1 28 28 THR N N 28 117.846 117.846 117.117 0.729 18475 126 1 . 1 1 28 28 THR HA H 28 3.980 3.980 4.029 -0.049 18475 127 1 . 1 1 28 28 THR CA C 28 66.119 66.119 66.225 -0.106 18475 128 1 . 1 1 28 28 THR CB C 28 68.459 68.459 68.589 -0.131 18475 129 1 . 1 1 28 28 THR H H 28 7.502 7.502 7.731 -0.229 18475 130 1 . 1 1 29 29 VAL N N 29 123.919 123.919 121.711 2.208 18475 131 1 . 1 1 29 29 VAL HA H 29 3.427 3.427 3.651 -0.224 18475 132 1 . 1 1 29 29 VAL CA C 29 67.399 67.399 66.299 1.100 18475 133 1 . 1 1 29 29 VAL CB C 29 31.565 31.565 30.989 0.576 18475 134 1 . 1 1 29 29 VAL H H 29 8.025 8.025 7.586 0.439 18475 135 1 . 1 1 30 30 LEU N N 30 122.820 122.820 119.594 3.226 18475 136 1 . 1 1 30 30 LEU HA H 30 3.975 3.975 4.021 -0.046 18475 137 1 . 1 1 30 30 LEU CA C 30 58.952 58.952 57.592 1.360 18475 138 1 . 1 1 30 30 LEU CB C 30 41.460 41.460 41.480 -0.020 18475 139 1 . 1 1 30 30 LEU H H 30 8.971 8.971 7.706 1.265 18475 140 1 . 1 1 31 31 ALA N N 31 120.021 120.021 120.128 -0.107 18475 141 1 . 1 1 31 31 ALA HA H 31 4.098 4.098 4.067 0.031 18475 142 1 . 1 1 31 31 ALA CA C 31 54.571 54.571 54.506 0.065 18475 143 1 . 1 1 31 31 ALA CB C 31 17.915 17.915 18.330 -0.415 18475 144 1 . 1 1 31 31 ALA H H 31 7.652 7.652 7.578 0.074 18475 145 1 . 1 1 32 32 ALA N N 32 117.285 117.285 119.762 -2.477 18475 146 1 . 1 1 32 32 ALA HA H 32 4.394 4.394 4.198 0.196 18475 147 1 . 1 1 32 32 ALA CA C 32 52.024 52.024 53.147 -1.123 18475 148 1 . 1 1 32 32 ALA CB C 32 19.367 19.367 19.838 -0.471 18475 149 1 . 1 1 32 32 ALA H H 32 7.278 7.278 7.640 -0.362 18475 150 1 . 1 1 33 33 ASN N N 33 116.716 116.716 116.873 -0.157 18475 151 1 . 1 1 33 33 ASN HA H 33 5.186 5.186 5.153 0.033 18475 152 1 . 1 1 33 33 ASN CA C 33 51.229 51.229 50.915 0.314 18475 153 1 . 1 1 33 33 ASN CB C 33 42.413 42.413 40.254 2.159 18475 154 1 . 1 1 33 33 ASN H H 33 7.536 7.536 8.082 -0.546 18475 155 1 . 1 1 34 34 PRO HA H 34 4.487 4.487 4.564 -0.077 18475 156 1 . 1 1 34 34 PRO CA C 34 64.760 64.760 63.916 0.845 18475 157 1 . 1 1 34 34 PRO CB C 34 31.414 31.414 32.008 -0.594 18475 158 1 . 1 1 35 35 GLY N N 35 110.626 110.626 110.990 -0.364 18475 159 1 . 1 1 35 35 GLY CA C 35 45.640 45.640 45.120 0.520 18475 160 1 . 1 1 35 35 GLY H H 35 8.911 8.911 8.561 0.350 18475 161 1 . 1 1 36 36 LEU N N 36 121.614 121.614 122.923 -1.309 18475 162 1 . 1 1 36 36 LEU HA H 36 4.247 4.247 4.232 0.015 18475 163 1 . 1 1 36 36 LEU CA C 36 56.724 56.724 57.050 -0.326 18475 164 1 . 1 1 36 36 LEU CB C 36 41.981 41.981 41.202 0.779 18475 165 1 . 1 1 36 36 LEU H H 36 7.974 7.974 7.559 0.414 18475 166 1 . 1 1 37 37 ALA N N 37 120.690 120.690 120.091 0.599 18475 167 1 . 1 1 37 37 ALA HA H 37 4.143 4.143 4.048 0.096 18475 168 1 . 1 1 37 37 ALA CA C 37 54.442 54.442 54.461 -0.019 18475 169 1 . 1 1 37 37 ALA CB C 37 18.998 18.998 18.396 0.602 18475 170 1 . 1 1 37 37 ALA H H 37 8.215 8.215 8.474 -0.259 18475 171 1 . 1 1 38 38 GLU N N 38 115.505 115.505 117.001 -1.496 18475 172 1 . 1 1 38 38 GLU HA H 38 4.291 4.291 4.220 0.071 18475 173 1 . 1 1 38 38 GLU CA C 38 56.988 56.988 57.087 -0.099 18475 174 1 . 1 1 38 38 GLU CB C 38 29.839 29.839 29.436 0.403 18475 175 1 . 1 1 38 38 GLU H H 38 7.982 7.982 7.840 0.142 18475 176 1 . 1 1 39 39 LEU N N 39 119.888 119.888 120.148 -0.260 18475 177 1 . 1 1 39 39 LEU HA H 39 4.269 4.269 4.081 0.188 18475 178 1 . 1 1 39 39 LEU CA C 39 55.940 55.940 56.581 -0.641 18475 179 1 . 1 1 39 39 LEU CB C 39 42.308 42.308 42.299 0.009 18475 180 1 . 1 1 39 39 LEU H H 39 7.760 7.760 7.659 0.101 18475 181 1 . 1 1 40 40 GLY N N 40 105.788 105.788 104.916 0.872 18475 182 1 . 1 1 40 40 GLY CA C 40 44.450 44.450 44.655 -0.205 18475 183 1 . 1 1 40 40 GLY H H 40 7.863 7.863 7.677 0.186 18475 184 1 . 1 1 41 41 ALA N N 41 120.963 120.963 123.006 -2.043 18475 185 1 . 1 1 41 41 ALA HA H 41 4.181 4.181 4.402 -0.221 18475 186 1 . 1 1 41 41 ALA CA C 41 54.089 54.089 52.787 1.302 18475 187 1 . 1 1 41 41 ALA CB C 41 19.421 19.421 19.320 0.101 18475 188 1 . 1 1 41 41 ALA H H 41 7.956 7.956 8.162 -0.206 18475 189 1 . 1 1 42 42 VAL N N 42 116.969 116.969 119.594 -2.625 18475 190 1 . 1 1 42 42 VAL HA H 42 4.206 4.206 4.122 0.084 18475 191 1 . 1 1 42 42 VAL CA C 42 61.658 61.658 61.911 -0.253 18475 192 1 . 1 1 42 42 VAL CB C 42 32.330 32.330 33.050 -0.720 18475 193 1 . 1 1 42 42 VAL H H 42 7.848 7.848 7.840 0.008 18475 194 1 . 1 1 43 43 LEU N N 43 129.206 129.206 127.045 2.161 18475 195 1 . 1 1 43 43 LEU HA H 43 4.471 4.471 4.590 -0.119 18475 196 1 . 1 1 43 43 LEU CA C 43 52.410 52.410 52.583 -0.173 18475 197 1 . 1 1 43 43 LEU CB C 43 42.204 42.204 41.325 0.879 18475 198 1 . 1 1 43 43 LEU H H 43 8.764 8.764 8.298 0.466 18475 199 1 . 1 1 44 44 PRO HA H 44 4.430 4.430 4.487 -0.057 18475 200 1 . 1 1 44 44 PRO CA C 44 62.426 62.426 62.624 -0.198 18475 201 1 . 1 1 44 44 PRO CB C 44 31.857 31.857 32.161 -0.304 18475 202 1 . 1 1 45 45 HIS N N 45 126.707 126.707 118.905 7.802 18475 203 1 . 1 1 45 45 HIS HA H 45 4.017 4.017 4.604 -0.587 18475 204 1 . 1 1 45 45 HIS CA C 45 57.747 57.747 56.210 1.537 18475 205 1 . 1 1 45 45 HIS CB C 45 31.007 31.007 28.757 2.250 18475 206 1 . 1 1 45 45 HIS H H 45 8.880 8.880 8.432 0.448 18475 207 1 . 1 1 46 46 GLY N N 46 115.148 115.148 113.071 2.077 18475 208 1 . 1 1 46 46 GLY CA C 46 45.091 45.091 44.960 0.131 18475 209 1 . 1 1 46 46 GLY H H 46 9.143 9.143 8.747 0.396 18475 210 1 . 1 1 47 47 THR N N 47 117.455 117.455 120.232 -2.777 18475 211 1 . 1 1 47 47 THR HA H 47 3.919 3.919 4.347 -0.428 18475 212 1 . 1 1 47 47 THR CA C 47 65.329 65.329 63.222 2.106 18475 213 1 . 1 1 47 47 THR CB C 47 70.171 70.171 69.242 0.929 18475 214 1 . 1 1 47 47 THR H H 47 7.680 7.680 7.839 -0.159 18475 215 1 . 1 1 48 48 ALA N N 48 131.425 131.425 131.035 0.390 18475 216 1 . 1 1 48 48 ALA HA H 48 4.468 4.468 4.691 -0.223 18475 217 1 . 1 1 48 48 ALA CA C 48 52.054 52.054 51.756 0.299 18475 218 1 . 1 1 48 48 ALA CB C 48 19.536 19.536 19.719 -0.183 18475 219 1 . 1 1 48 48 ALA H H 48 8.777 8.777 8.644 0.133 18475 220 1 . 1 1 49 49 VAL N N 49 122.720 122.720 121.699 1.021 18475 221 1 . 1 1 49 49 VAL HA H 49 3.958 3.958 4.312 -0.354 18475 222 1 . 1 1 49 49 VAL CA C 49 61.422 61.422 61.007 0.415 18475 223 1 . 1 1 49 49 VAL CB C 49 34.974 34.974 35.528 -0.554 18475 224 1 . 1 1 49 49 VAL H H 49 8.564 8.564 8.161 0.403 18475 225 1 . 1 1 50 50 GLU N N 50 129.105 129.105 126.496 2.609 18475 226 1 . 1 1 50 50 GLU HA H 50 4.328 4.328 4.320 0.008 18475 227 1 . 1 1 50 50 GLU CA C 50 55.869 55.869 55.927 -0.058 18475 228 1 . 1 1 50 50 GLU CB C 50 29.777 29.777 30.739 -0.962 18475 229 1 . 1 1 50 50 GLU H H 50 9.632 9.632 8.538 1.094 18475 230 1 . 1 1 51 51 LEU N N 51 126.085 126.085 127.289 -1.204 18475 231 1 . 1 1 51 51 LEU HA H 51 4.944 4.944 4.763 0.181 18475 232 1 . 1 1 51 51 LEU CA C 51 50.984 50.984 51.688 -0.704 18475 233 1 . 1 1 51 51 LEU CB C 51 40.919 40.919 41.610 -0.691 18475 234 1 . 1 1 51 51 LEU H H 51 8.474 8.474 8.178 0.296 18475 235 1 . 1 1 52 52 PRO HA H 52 4.492 4.492 4.502 -0.010 18475 236 1 . 1 1 52 52 PRO CA C 52 62.130 62.130 62.846 -0.716 18475 237 1 . 1 1 52 52 PRO CB C 52 32.587 32.587 32.357 0.230 18475 238 1 . 1 1 53 53 ASP N N 53 120.950 120.950 118.279 2.671 18475 239 1 . 1 1 53 53 ASP HA H 53 4.675 4.675 4.385 0.290 18475 240 1 . 1 1 53 53 ASP CA C 53 55.120 55.120 55.369 -0.249 18475 241 1 . 1 1 53 53 ASP CB C 53 40.490 40.490 40.129 0.361 18475 242 1 . 1 1 53 53 ASP H H 53 8.737 8.737 8.633 0.104 18475 243 1 . 1 1 54 54 VAL N N 54 121.459 121.459 118.116 3.343 18475 244 1 . 1 1 54 54 VAL HA H 54 4.197 4.197 4.362 -0.165 18475 245 1 . 1 1 54 54 VAL CA C 54 62.030 62.030 61.278 0.752 18475 246 1 . 1 1 54 54 VAL CB C 54 33.327 33.327 34.071 -0.744 18475 247 1 . 1 1 54 54 VAL H H 54 8.161 8.161 7.969 0.192 18475 248 1 . 1 1 55 55 GLN N N 55 124.703 124.703 123.780 0.923 18475 249 1 . 1 1 55 55 GLN HA H 55 4.431 4.431 4.463 -0.032 18475 250 1 . 1 1 55 55 GLN CA C 55 56.109 56.109 55.579 0.530 18475 251 1 . 1 1 55 55 GLN CB C 55 29.484 29.484 29.432 0.052 18475 252 1 . 1 1 55 55 GLN H H 55 8.623 8.623 8.497 0.126 18475 253 1 . 1 1 56 56 THR HA H 56 4.332 4.332 4.179 0.153 18475 254 1 . 1 1 56 56 THR CA C 56 61.688 61.688 62.623 -0.935 18475 255 1 . 1 1 56 56 THR CB C 56 69.969 69.969 68.810 1.159 18475 256 1 . 1 1 57 57 ALA N N 57 127.534 127.534 125.316 2.218 18475 257 1 . 1 1 57 57 ALA HA H 57 4.653 4.653 4.582 0.071 18475 258 1 . 1 1 57 57 ALA CA C 57 50.572 50.572 50.697 -0.125 18475 259 1 . 1 1 57 57 ALA CB C 57 18.397 18.397 19.578 -1.181 18475 260 1 . 1 1 57 57 ALA H H 57 8.277 8.277 8.041 0.236 18475 261 1 . 1 1 58 58 PRO HA H 58 4.484 4.484 4.512 -0.028 18475 262 1 . 1 1 58 58 PRO CA C 58 62.410 62.410 62.946 -0.536 18475 263 1 . 1 1 58 58 PRO CB C 58 32.030 32.030 31.268 0.762 18475 264 1 . 1 1 59 59 VAL N N 59 120.618 120.618 120.591 0.027 18475 265 1 . 1 1 59 59 VAL HA H 59 4.067 4.067 4.235 -0.168 18475 266 1 . 1 1 59 59 VAL CA C 59 62.396 62.396 61.304 1.092 18475 267 1 . 1 1 59 59 VAL CB C 59 32.832 32.832 33.453 -0.621 18475 268 1 . 1 1 59 59 VAL H H 59 8.219 8.219 8.028 0.191 18475 269 1 . 1 1 60 60 ALA N N 60 127.858 127.858 127.550 0.308 18475 270 1 . 1 1 60 60 ALA HA H 60 4.322 4.322 4.386 -0.064 18475 271 1 . 1 1 60 60 ALA CA C 60 52.641 52.641 52.383 0.258 18475 272 1 . 1 1 60 60 ALA CB C 60 19.368 19.368 19.014 0.354 18475 273 1 . 1 1 60 60 ALA H H 60 8.399 8.399 8.338 0.061 18475 274 1 . 1 1 61 61 GLU N N 61 120.215 120.215 120.573 -0.358 18475 275 1 . 1 1 61 61 GLU HA H 61 4.305 4.305 4.460 -0.155 18475 276 1 . 1 1 61 61 GLU CA C 61 56.778 56.778 56.260 0.518 18475 277 1 . 1 1 61 61 GLU CB C 61 30.357 30.357 30.683 -0.326 18475 278 1 . 1 1 61 61 GLU H H 61 8.405 8.405 8.472 -0.067 18475 279 1 . 1 1 62 62 THR N N 62 115.392 115.392 114.425 0.967 18475 280 1 . 1 1 62 62 THR HA H 62 4.327 4.327 4.572 -0.245 18475 281 1 . 1 1 62 62 THR CA C 62 61.984 61.984 61.678 0.306 18475 282 1 . 1 1 62 62 THR CB C 62 69.856 69.856 69.907 -0.050 18475 283 1 . 1 1 62 62 THR H H 62 8.166 8.166 8.107 0.059 18475 284 1 . 1 1 63 63 VAL N N 63 122.511 122.511 122.582 -0.071 18475 285 1 . 1 1 63 63 VAL HA H 63 4.047 4.047 4.223 -0.176 18475 286 1 . 1 1 63 63 VAL CA C 63 62.272 62.272 62.022 0.250 18475 287 1 . 1 1 63 63 VAL CB C 63 32.853 32.853 33.485 -0.632 18475 288 1 . 1 1 63 63 VAL H H 63 8.099 8.099 8.282 -0.183 18475 289 1 . 1 1 64 64 ASN N N 64 122.642 122.642 123.927 -1.285 18475 290 1 . 1 1 64 64 ASN HA H 64 4.623 4.623 4.781 -0.158 18475 291 1 . 1 1 64 64 ASN CA C 64 52.901 52.901 53.032 -0.131 18475 292 1 . 1 1 64 64 ASN CB C 64 38.541 38.541 38.952 -0.411 18475 293 1 . 1 1 64 64 ASN H H 64 8.471 8.471 8.401 0.070 18475 294 1 . 1 1 65 65 LEU N N 65 123.365 123.365 120.201 3.164 18475 295 1 . 1 1 65 65 LEU HA H 65 4.164 4.164 4.370 -0.206 18475 296 1 . 1 1 65 65 LEU CA C 65 56.164 56.164 54.335 1.829 18475 297 1 . 1 1 65 65 LEU CB C 65 41.989 41.989 43.172 -1.183 18475 298 1 . 1 1 65 65 LEU H H 65 8.226 8.226 8.110 0.116 18475 299 1 . 1 1 66 66 TRP N N 66 119.270 119.270 123.679 -4.409 18475 300 1 . 1 1 66 66 TRP HA H 66 4.644 4.644 4.771 -0.127 18475 301 1 . 1 1 66 66 TRP CA C 66 57.818 57.818 57.072 0.746 18475 302 1 . 1 1 66 66 TRP CB C 66 29.145 29.145 29.721 -0.576 18475 303 1 . 1 1 66 66 TRP H H 66 7.886 7.886 8.046 -0.160 18475 304 1 . 1 1 67 67 GLU N N 67 121.087 121.087 121.762 -0.675 18475 305 1 . 1 1 67 67 GLU HA H 67 4.224 4.224 4.489 -0.265 18475 306 1 . 1 1 67 67 GLU CA C 67 56.983 56.983 56.209 0.774 18475 307 1 . 1 1 67 67 GLU CB C 67 30.211 30.211 30.170 0.041 18475 308 1 . 1 1 67 67 GLU H H 67 7.982 7.982 8.481 -0.499 18475 309 1 . 1 1 68 68 VAL N N 68 119.603 119.603 120.606 -1.003 18475 310 1 . 1 1 68 68 VAL HA H 68 3.987 3.987 4.280 -0.293 18475 311 1 . 1 1 68 68 VAL CA C 68 62.829 62.829 62.426 0.403 18475 312 1 . 1 1 68 68 VAL CB C 68 32.734 32.734 32.170 0.564 18475 313 1 . 1 1 68 68 VAL H H 68 7.836 7.836 8.139 -0.303 18475 314 1 . 1 1 69 69 GLU N N 69 122.754 122.754 122.362 0.392 18475 315 1 . 1 1 69 69 GLU HA H 69 4.183 4.183 4.408 -0.225 18475 316 1 . 1 1 69 69 GLU CA C 69 56.886 56.886 56.243 0.643 18475 317 1 . 1 1 69 69 GLU CB C 69 30.236 30.236 29.466 0.770 18475 318 1 . 1 1 69 69 GLU H H 69 8.287 8.287 8.340 -0.053 18475 319 1 . 1 1 70 70 HIS N N 70 119.727 119.727 121.080 -1.353 18475 320 1 . 1 1 70 70 HIS H H 70 8.145 8.145 8.334 -0.189 18475 stop_ save_