data_17913 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17913 _Entry.PDB_ID 2LJ1 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 17913 _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 THR N N 2 115.123 115.123 116.022 -0.899 17913 2 1 1 . 1 1 2 2 THR HA H 2 4.359 4.359 4.451 -0.092 17913 3 1 1 . 1 1 2 2 THR CA C 2 61.918 61.918 62.837 -0.919 17913 4 1 1 . 1 1 2 2 THR CB C 2 70.007 70.007 69.113 0.894 17913 5 1 1 . 1 1 3 3 SER N N 3 117.860 117.860 117.273 0.587 17913 6 1 1 . 1 1 3 3 SER HA H 3 4.393 4.393 4.322 0.071 17913 7 1 1 . 1 1 3 3 SER CA C 3 58.538 58.538 59.667 -1.129 17913 8 1 1 . 1 1 3 3 SER CB C 3 63.865 63.865 63.538 0.327 17913 9 1 1 . 1 1 4 4 GLN N N 4 121.904 121.904 119.927 1.977 17913 10 1 1 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.140 0.147 17913 11 1 1 . 1 1 4 4 GLN CA C 4 55.929 55.929 55.819 0.110 17913 12 1 1 . 1 1 4 4 GLN CB C 4 29.431 29.431 29.046 0.385 17913 13 1 1 . 1 1 5 5 ASP N N 5 121.274 121.274 121.157 0.117 17913 14 1 1 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.502 0.013 17913 15 1 1 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.618 1.004 17913 16 1 1 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.216 -0.036 17913 17 1 1 . 1 1 6 6 LEU N N 6 121.060 121.060 119.803 1.257 17913 18 1 1 . 1 1 6 6 LEU HA H 6 4.256 4.256 3.773 0.483 17913 19 1 1 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.502 0.555 17913 20 1 1 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.735 -0.025 17913 21 1 1 . 1 1 7 7 PHE N N 7 119.312 119.312 116.748 2.564 17913 22 1 1 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.693 0.159 17913 23 1 1 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.745 0.219 17913 24 1 1 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.776 -0.279 17913 25 1 1 . 1 1 8 8 SER N N 8 117.645 117.645 114.740 2.905 17913 26 1 1 . 1 1 8 8 SER HA H 8 5.341 5.341 5.546 -0.205 17913 27 1 1 . 1 1 8 8 SER CA C 8 58.530 58.530 57.536 0.994 17913 28 1 1 . 1 1 8 8 SER CB C 8 64.615 64.615 64.925 -0.310 17913 29 1 1 . 1 1 9 9 TYR N N 9 123.973 123.973 120.850 3.123 17913 30 1 1 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.838 0.233 17913 31 1 1 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.138 -0.515 17913 32 1 1 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.289 0.427 17913 33 1 1 . 1 1 10 10 GLN N N 10 119.777 119.777 121.532 -1.755 17913 34 1 1 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.342 0.107 17913 35 1 1 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.574 -0.368 17913 36 1 1 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.464 0.370 17913 37 1 1 . 1 1 11 11 ALA N N 11 128.040 128.040 128.926 -0.886 17913 38 1 1 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.466 0.208 17913 39 1 1 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.058 1.740 17913 40 1 1 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.919 -0.859 17913 41 1 1 . 1 1 12 12 LEU N N 12 126.475 126.475 124.557 1.918 17913 42 1 1 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.111 -0.152 17913 43 1 1 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.508 -2.376 17913 44 1 1 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.172 1.619 17913 45 1 1 . 1 1 13 13 TYR N N 13 112.484 112.484 109.746 2.738 17913 46 1 1 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.829 -0.076 17913 47 1 1 . 1 1 13 13 TYR CA C 13 53.592 53.592 54.848 -1.256 17913 48 1 1 . 1 1 13 13 TYR CB C 13 42.569 42.569 40.350 2.219 17913 49 1 1 . 1 1 14 14 SER N N 14 113.568 113.568 115.017 -1.449 17913 50 1 1 . 1 1 14 14 SER HA H 14 4.397 4.397 4.569 -0.172 17913 51 1 1 . 1 1 14 14 SER CA C 14 58.401 58.401 58.090 0.312 17913 52 1 1 . 1 1 14 14 SER CB C 14 64.028 64.028 64.504 -0.476 17913 53 1 1 . 1 1 15 15 TYR N N 15 122.458 122.458 123.395 -0.937 17913 54 1 1 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.698 -0.004 17913 55 1 1 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.505 1.622 17913 56 1 1 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.820 0.264 17913 57 1 1 . 1 1 16 16 ILE N N 16 129.002 129.002 128.089 0.913 17913 58 1 1 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.283 0.050 17913 59 1 1 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.266 0.095 17913 60 1 1 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.746 0.252 17913 61 1 1 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.367 0.008 17913 62 1 1 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.958 0.656 17913 63 1 1 . 1 1 17 17 PRO CB C 17 34.016 34.016 31.892 2.124 17913 64 1 1 . 1 1 18 18 GLN N N 18 120.610 120.610 122.346 -1.736 17913 65 1 1 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.207 0.119 17913 66 1 1 . 1 1 18 18 GLN CA C 18 54.774 54.774 56.285 -1.511 17913 67 1 1 . 1 1 18 18 GLN CB C 18 30.867 30.867 30.045 0.822 17913 68 1 1 . 1 1 19 19 ASN N N 19 114.130 114.130 119.198 -5.068 17913 69 1 1 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.976 -0.099 17913 70 1 1 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.376 -0.330 17913 71 1 1 . 1 1 19 19 ASN CB C 19 44.116 44.116 41.077 3.039 17913 72 1 1 . 1 1 20 20 ASP N N 20 119.849 119.849 120.177 -0.328 17913 73 1 1 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.491 -0.082 17913 74 1 1 . 1 1 20 20 ASP CA C 20 56.761 56.761 56.089 0.672 17913 75 1 1 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.541 -0.115 17913 76 1 1 . 1 1 21 21 ASP N N 21 116.249 116.249 117.723 -1.474 17913 77 1 1 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.646 0.070 17913 78 1 1 . 1 1 21 21 ASP CA C 21 52.903 52.903 54.769 -1.865 17913 79 1 1 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.428 -1.909 17913 80 1 1 . 1 1 22 22 GLU N N 22 119.836 119.836 119.404 0.432 17913 81 1 1 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.014 0.292 17913 82 1 1 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.924 -1.082 17913 83 1 1 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.163 0.650 17913 84 1 1 . 1 1 23 23 LEU N N 23 124.087 124.087 121.037 3.050 17913 85 1 1 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.530 -0.179 17913 86 1 1 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.091 0.106 17913 87 1 1 . 1 1 23 23 LEU CB C 23 45.612 45.612 44.543 1.069 17913 88 1 1 . 1 1 24 24 GLU N N 24 122.201 122.201 124.617 -2.416 17913 89 1 1 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.386 0.178 17913 90 1 1 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.469 -0.272 17913 91 1 1 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.014 -0.179 17913 92 1 1 . 1 1 25 25 LEU N N 25 125.205 125.205 127.469 -2.264 17913 93 1 1 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.639 -0.028 17913 94 1 1 . 1 1 25 25 LEU CA C 25 53.546 53.546 53.041 0.505 17913 95 1 1 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.359 0.755 17913 96 1 1 . 1 1 26 26 ARG N N 26 124.847 124.847 124.798 0.049 17913 97 1 1 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.620 0.105 17913 98 1 1 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.300 0.896 17913 99 1 1 . 1 1 26 26 ARG CB C 26 32.565 32.565 33.090 -0.525 17913 100 1 1 . 1 1 27 27 ASP N N 27 121.325 121.325 121.696 -0.371 17913 101 1 1 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.367 -0.938 17913 102 1 1 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.884 0.166 17913 103 1 1 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.255 -0.041 17913 104 1 1 . 1 1 28 28 GLY N N 28 113.421 113.421 112.060 1.361 17913 105 1 1 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.155 -0.266 17913 106 1 1 . 1 1 29 29 ASP N N 29 122.317 122.317 119.980 2.337 17913 107 1 1 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.766 -0.310 17913 108 1 1 . 1 1 29 29 ASP CA C 29 55.528 55.528 52.949 2.579 17913 109 1 1 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.063 -1.506 17913 110 1 1 . 1 1 30 30 ILE N N 30 121.394 121.394 122.454 -1.060 17913 111 1 1 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.399 -0.398 17913 112 1 1 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.999 -0.109 17913 113 1 1 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.934 -1.714 17913 114 1 1 . 1 1 31 31 VAL N N 31 124.770 124.770 125.931 -1.161 17913 115 1 1 . 1 1 31 31 VAL HA H 31 4.874 4.874 5.025 -0.151 17913 116 1 1 . 1 1 31 31 VAL CA C 31 58.941 58.941 59.615 -0.674 17913 117 1 1 . 1 1 31 31 VAL CB C 31 35.084 35.084 36.761 -1.677 17913 118 1 1 . 1 1 32 32 ASP N N 32 124.983 124.983 129.074 -4.091 17913 119 1 1 . 1 1 32 32 ASP HA H 32 5.369 5.369 5.142 0.227 17913 120 1 1 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.466 0.552 17913 121 1 1 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.665 -2.340 17913 122 1 1 . 1 1 33 33 VAL N N 33 127.010 127.010 123.546 3.464 17913 123 1 1 . 1 1 33 33 VAL HA H 33 4.155 4.155 4.812 -0.657 17913 124 1 1 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.382 2.846 17913 125 1 1 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.200 1.062 17913 126 1 1 . 1 1 34 34 MET N N 34 126.236 126.236 126.419 -0.183 17913 127 1 1 . 1 1 34 34 MET HA H 34 4.646 4.646 4.426 0.220 17913 128 1 1 . 1 1 34 34 MET CA C 34 56.039 56.039 56.595 -0.556 17913 129 1 1 . 1 1 34 34 MET CB C 34 35.364 35.364 33.073 2.291 17913 130 1 1 . 1 1 35 35 GLU N N 35 118.007 118.007 117.701 0.306 17913 131 1 1 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.503 -0.029 17913 132 1 1 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.633 -0.077 17913 133 1 1 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.054 0.416 17913 134 1 1 . 1 1 36 36 LYS N N 36 124.151 124.151 125.966 -1.815 17913 135 1 1 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.811 -0.450 17913 136 1 1 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.749 -0.172 17913 137 1 1 . 1 1 36 36 LYS CB C 36 32.981 32.981 32.943 0.038 17913 138 1 1 . 1 1 37 37 CYS N N 37 122.385 122.385 124.282 -1.897 17913 139 1 1 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.518 0.074 17913 140 1 1 . 1 1 37 37 CYS CA C 37 58.377 58.377 57.409 0.968 17913 141 1 1 . 1 1 37 37 CYS CB C 37 29.217 29.217 28.755 0.462 17913 142 1 1 . 1 1 38 38 ASP N N 38 123.591 123.591 125.276 -1.685 17913 143 1 1 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.352 0.003 17913 144 1 1 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.844 -0.089 17913 145 1 1 . 1 1 38 38 ASP CB C 38 40.300 40.300 40.541 -0.241 17913 146 1 1 . 1 1 39 39 ASP N N 39 117.190 117.190 117.416 -0.226 17913 147 1 1 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.331 0.141 17913 148 1 1 . 1 1 39 39 ASP CA C 39 53.216 53.216 53.783 -0.567 17913 149 1 1 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.824 -0.694 17913 150 1 1 . 1 1 40 40 GLY N N 40 105.575 105.575 105.837 -0.262 17913 151 1 1 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.710 0.265 17913 152 1 1 . 1 1 41 41 TRP N N 41 123.669 123.669 118.404 5.265 17913 153 1 1 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.456 -0.399 17913 154 1 1 . 1 1 41 41 TRP CA C 41 58.452 58.452 53.858 4.594 17913 155 1 1 . 1 1 41 41 TRP CB C 41 27.230 27.230 30.620 -3.390 17913 156 1 1 . 1 1 42 42 PHE N N 42 120.474 120.474 115.577 4.897 17913 157 1 1 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.383 -0.041 17913 158 1 1 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.444 -3.996 17913 159 1 1 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.831 -1.201 17913 160 1 1 . 1 1 43 43 VAL N N 43 121.847 121.847 118.880 2.967 17913 161 1 1 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.217 0.406 17913 162 1 1 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.649 -0.474 17913 163 1 1 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.487 2.031 17913 164 1 1 . 1 1 44 44 GLY N N 44 113.784 113.784 109.964 3.820 17913 165 1 1 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.982 1.906 17913 166 1 1 . 1 1 45 45 THR N N 45 112.652 112.652 117.958 -5.306 17913 167 1 1 . 1 1 45 45 THR HA H 45 5.506 5.506 5.325 0.181 17913 168 1 1 . 1 1 45 45 THR CA C 45 60.396 60.396 61.768 -1.372 17913 169 1 1 . 1 1 45 45 THR CB C 45 71.151 71.151 70.946 0.205 17913 170 1 1 . 1 1 46 46 SER N N 46 119.945 119.945 120.632 -0.687 17913 171 1 1 . 1 1 46 46 SER HA H 46 4.496 4.496 4.822 -0.326 17913 172 1 1 . 1 1 46 46 SER CA C 46 57.007 57.007 57.115 -0.108 17913 173 1 1 . 1 1 46 46 SER CB C 46 63.816 63.816 64.521 -0.705 17913 174 1 1 . 1 1 47 47 ARG N N 47 128.825 128.825 127.143 1.682 17913 175 1 1 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.222 -0.005 17913 176 1 1 . 1 1 47 47 ARG CA C 47 59.482 59.482 57.505 1.977 17913 177 1 1 . 1 1 47 47 ARG CB C 47 29.995 29.995 29.832 0.163 17913 178 1 1 . 1 1 48 48 ARG N N 48 118.813 118.813 119.624 -0.811 17913 179 1 1 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.223 -0.007 17913 180 1 1 . 1 1 48 48 ARG CA C 48 59.206 59.206 59.378 -0.172 17913 181 1 1 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.191 0.787 17913 182 1 1 . 1 1 49 49 THR N N 49 105.015 105.015 111.274 -6.259 17913 183 1 1 . 1 1 49 49 THR HA H 49 4.320 4.320 4.345 -0.025 17913 184 1 1 . 1 1 49 49 THR CA C 49 61.456 61.456 60.921 0.535 17913 185 1 1 . 1 1 49 49 THR CB C 49 70.527 70.527 68.434 2.093 17913 186 1 1 . 1 1 50 50 LYS N N 50 115.674 115.674 117.528 -1.854 17913 187 1 1 . 1 1 50 50 LYS HA H 50 4.045 4.045 4.150 -0.105 17913 188 1 1 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.404 0.455 17913 189 1 1 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.188 -0.147 17913 190 1 1 . 1 1 51 51 GLN N N 51 118.027 118.027 115.876 2.151 17913 191 1 1 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.519 -0.117 17913 192 1 1 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.629 0.948 17913 193 1 1 . 1 1 51 51 GLN CB C 51 29.802 29.802 30.345 -0.543 17913 194 1 1 . 1 1 52 52 PHE N N 52 122.149 122.149 119.597 2.552 17913 195 1 1 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.764 -0.187 17913 196 1 1 . 1 1 52 52 PHE CA C 52 55.515 55.515 55.547 -0.032 17913 197 1 1 . 1 1 52 52 PHE CB C 52 42.919 42.919 41.289 1.630 17913 198 1 1 . 1 1 53 53 GLY N N 53 113.270 113.270 113.240 0.030 17913 199 1 1 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.045 1.509 17913 200 1 1 . 1 1 54 54 THR N N 54 113.615 113.615 116.971 -3.356 17913 201 1 1 . 1 1 54 54 THR HA H 54 6.034 6.034 5.176 0.858 17913 202 1 1 . 1 1 54 54 THR CA C 54 57.841 57.841 60.685 -2.845 17913 203 1 1 . 1 1 54 54 THR CB C 54 71.605 71.605 70.141 1.464 17913 204 1 1 . 1 1 55 55 PHE N N 55 123.708 123.708 121.639 2.069 17913 205 1 1 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.771 0.079 17913 206 1 1 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.636 -0.584 17913 207 1 1 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.211 -0.993 17913 208 1 1 . 1 1 56 56 PRO HA H 56 2.269 2.269 4.392 -2.123 17913 209 1 1 . 1 1 56 56 PRO CA C 56 61.844 61.844 63.744 -1.900 17913 210 1 1 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.516 -0.471 17913 211 1 1 . 1 1 57 57 GLY N N 57 112.583 112.583 110.250 2.333 17913 212 1 1 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.237 -0.641 17913 213 1 1 . 1 1 58 58 ASN N N 58 112.820 112.820 116.606 -3.786 17913 214 1 1 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.669 -0.046 17913 215 1 1 . 1 1 58 58 ASN CA C 58 52.873 52.873 51.891 0.982 17913 216 1 1 . 1 1 58 58 ASN CB C 58 35.033 35.033 38.330 -3.297 17913 217 1 1 . 1 1 59 59 TYR N N 59 119.700 119.700 119.174 0.526 17913 218 1 1 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.576 0.080 17913 219 1 1 . 1 1 59 59 TYR CA C 59 58.197 58.197 58.101 0.096 17913 220 1 1 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.164 -2.663 17913 221 1 1 . 1 1 60 60 VAL N N 60 108.984 108.984 117.812 -8.828 17913 222 1 1 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.107 1.347 17913 223 1 1 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.769 -1.577 17913 224 1 1 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.676 2.006 17913 225 1 1 . 1 1 61 61 LYS N N 61 118.836 118.836 123.167 -4.331 17913 226 1 1 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.065 0.182 17913 227 1 1 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.999 -0.347 17913 228 1 1 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.050 1.694 17913 229 1 1 . 1 1 62 62 PRO HA H 62 3.516 3.516 4.034 -0.518 17913 230 1 1 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.986 -0.056 17913 231 1 1 . 1 1 62 62 PRO CB C 62 31.833 31.833 31.973 -0.140 17913 232 1 1 . 1 1 63 63 LEU N N 63 122.539 122.539 123.180 -0.641 17913 233 1 1 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.052 0.142 17913 234 1 1 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.671 -0.982 17913 235 1 1 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.377 1.391 17913 236 1 2 . 1 1 2 2 THR N N 2 115.123 115.123 115.959 -0.836 17913 237 1 2 . 1 1 2 2 THR HA H 2 4.359 4.359 4.762 -0.403 17913 238 1 2 . 1 1 2 2 THR CA C 2 61.918 61.918 61.765 0.153 17913 239 1 2 . 1 1 2 2 THR CB C 2 70.007 70.007 69.341 0.666 17913 240 1 2 . 1 1 3 3 SER N N 3 117.860 117.860 118.017 -0.157 17913 241 1 2 . 1 1 3 3 SER HA H 3 4.393 4.393 4.406 -0.013 17913 242 1 2 . 1 1 3 3 SER CA C 3 58.538 58.538 59.570 -1.032 17913 243 1 2 . 1 1 3 3 SER CB C 3 63.865 63.865 63.172 0.693 17913 244 1 2 . 1 1 4 4 GLN N N 4 121.904 121.904 120.163 1.741 17913 245 1 2 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.553 -0.266 17913 246 1 2 . 1 1 4 4 GLN CA C 4 55.929 55.929 54.621 1.308 17913 247 1 2 . 1 1 4 4 GLN CB C 4 29.431 29.431 31.030 -1.599 17913 248 1 2 . 1 1 5 5 ASP N N 5 121.274 121.274 122.987 -1.713 17913 249 1 2 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.790 -0.275 17913 250 1 2 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.821 0.801 17913 251 1 2 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.854 -0.674 17913 252 1 2 . 1 1 6 6 LEU N N 6 121.060 121.060 122.437 -1.377 17913 253 1 2 . 1 1 6 6 LEU HA H 6 4.256 4.256 4.099 0.157 17913 254 1 2 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.273 0.784 17913 255 1 2 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.905 -0.195 17913 256 1 2 . 1 1 7 7 PHE N N 7 119.312 119.312 117.951 1.361 17913 257 1 2 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.743 0.109 17913 258 1 2 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.291 0.673 17913 259 1 2 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.706 -0.209 17913 260 1 2 . 1 1 8 8 SER N N 8 117.645 117.645 115.367 2.278 17913 261 1 2 . 1 1 8 8 SER HA H 8 5.341 5.341 5.388 -0.047 17913 262 1 2 . 1 1 8 8 SER CA C 8 58.530 58.530 57.457 1.073 17913 263 1 2 . 1 1 8 8 SER CB C 8 64.615 64.615 65.610 -0.995 17913 264 1 2 . 1 1 9 9 TYR N N 9 123.973 123.973 120.749 3.224 17913 265 1 2 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.819 0.252 17913 266 1 2 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.147 -0.524 17913 267 1 2 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.333 0.383 17913 268 1 2 . 1 1 10 10 GLN N N 10 119.777 119.777 121.381 -1.604 17913 269 1 2 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.313 0.136 17913 270 1 2 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.615 -0.409 17913 271 1 2 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.436 0.398 17913 272 1 2 . 1 1 11 11 ALA N N 11 128.040 128.040 128.958 -0.918 17913 273 1 2 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.402 0.272 17913 274 1 2 . 1 1 11 11 ALA CA C 11 52.798 52.798 50.993 1.805 17913 275 1 2 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.931 -0.871 17913 276 1 2 . 1 1 12 12 LEU N N 12 126.475 126.475 124.167 2.308 17913 277 1 2 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.141 -0.182 17913 278 1 2 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.166 -2.034 17913 279 1 2 . 1 1 12 12 LEU CB C 12 43.791 43.791 41.996 1.794 17913 280 1 2 . 1 1 13 13 TYR N N 13 112.484 112.484 112.022 0.462 17913 281 1 2 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.825 -0.072 17913 282 1 2 . 1 1 13 13 TYR CA C 13 53.592 53.592 54.766 -1.174 17913 283 1 2 . 1 1 13 13 TYR CB C 13 42.569 42.569 40.493 2.076 17913 284 1 2 . 1 1 14 14 SER N N 14 113.568 113.568 115.950 -2.382 17913 285 1 2 . 1 1 14 14 SER HA H 14 4.397 4.397 4.490 -0.093 17913 286 1 2 . 1 1 14 14 SER CA C 14 58.401 58.401 58.418 -0.017 17913 287 1 2 . 1 1 14 14 SER CB C 14 64.028 64.028 64.013 0.015 17913 288 1 2 . 1 1 15 15 TYR N N 15 122.458 122.458 125.210 -2.752 17913 289 1 2 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.741 -0.047 17913 290 1 2 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.433 1.694 17913 291 1 2 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.874 0.210 17913 292 1 2 . 1 1 16 16 ILE N N 16 129.002 129.002 128.529 0.473 17913 293 1 2 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.386 -0.053 17913 294 1 2 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.258 0.102 17913 295 1 2 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.259 0.739 17913 296 1 2 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.371 0.004 17913 297 1 2 . 1 1 17 17 PRO CA C 17 63.614 63.614 63.231 0.383 17913 298 1 2 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.008 2.009 17913 299 1 2 . 1 1 18 18 GLN N N 18 120.610 120.610 122.895 -2.285 17913 300 1 2 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.180 0.146 17913 301 1 2 . 1 1 18 18 GLN CA C 18 54.774 54.774 56.996 -2.222 17913 302 1 2 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.375 1.492 17913 303 1 2 . 1 1 19 19 ASN N N 19 114.130 114.130 118.033 -3.903 17913 304 1 2 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.952 -0.075 17913 305 1 2 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.444 -0.398 17913 306 1 2 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.630 3.486 17913 307 1 2 . 1 1 20 20 ASP N N 20 119.849 119.849 119.497 0.352 17913 308 1 2 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.484 -0.075 17913 309 1 2 . 1 1 20 20 ASP CA C 20 56.761 56.761 55.748 1.014 17913 310 1 2 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.787 -0.360 17913 311 1 2 . 1 1 21 21 ASP N N 21 116.249 116.249 117.161 -0.912 17913 312 1 2 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.511 0.205 17913 313 1 2 . 1 1 21 21 ASP CA C 21 52.903 52.903 55.173 -2.270 17913 314 1 2 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.007 -1.488 17913 315 1 2 . 1 1 22 22 GLU N N 22 119.836 119.836 118.075 1.761 17913 316 1 2 . 1 1 22 22 GLU HA H 22 5.306 5.306 4.930 0.376 17913 317 1 2 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.340 -0.498 17913 318 1 2 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.257 0.556 17913 319 1 2 . 1 1 23 23 LEU N N 23 124.087 124.087 120.879 3.208 17913 320 1 2 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.530 -0.179 17913 321 1 2 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.540 -0.343 17913 322 1 2 . 1 1 23 23 LEU CB C 23 45.612 45.612 44.489 1.123 17913 323 1 2 . 1 1 24 24 GLU N N 24 122.201 122.201 124.402 -2.201 17913 324 1 2 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.242 0.322 17913 325 1 2 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.463 -0.265 17913 326 1 2 . 1 1 24 24 GLU CB C 24 29.835 29.835 29.920 -0.085 17913 327 1 2 . 1 1 25 25 LEU N N 25 125.205 125.205 126.953 -1.748 17913 328 1 2 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.583 0.028 17913 329 1 2 . 1 1 25 25 LEU CA C 25 53.546 53.546 53.225 0.321 17913 330 1 2 . 1 1 25 25 LEU CB C 25 45.114 45.114 43.719 1.395 17913 331 1 2 . 1 1 26 26 ARG N N 26 124.847 124.847 124.812 0.035 17913 332 1 2 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.697 0.028 17913 333 1 2 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.428 0.767 17913 334 1 2 . 1 1 26 26 ARG CB C 26 32.565 32.565 33.490 -0.925 17913 335 1 2 . 1 1 27 27 ASP N N 27 121.325 121.325 119.609 1.716 17913 336 1 2 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.346 -0.917 17913 337 1 2 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.179 0.871 17913 338 1 2 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.545 -0.331 17913 339 1 2 . 1 1 28 28 GLY N N 28 113.421 113.421 110.313 3.108 17913 340 1 2 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.488 -0.599 17913 341 1 2 . 1 1 29 29 ASP N N 29 122.317 122.317 120.420 1.897 17913 342 1 2 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.759 -0.303 17913 343 1 2 . 1 1 29 29 ASP CA C 29 55.528 55.528 53.647 1.881 17913 344 1 2 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.003 -1.445 17913 345 1 2 . 1 1 30 30 ILE N N 30 121.394 121.394 123.872 -2.478 17913 346 1 2 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.266 -0.265 17913 347 1 2 . 1 1 30 30 ILE CA C 30 59.890 59.890 60.055 -0.165 17913 348 1 2 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.400 -1.180 17913 349 1 2 . 1 1 31 31 VAL N N 31 124.770 124.770 128.330 -3.560 17913 350 1 2 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.691 0.183 17913 351 1 2 . 1 1 31 31 VAL CA C 31 58.941 58.941 60.214 -1.273 17913 352 1 2 . 1 1 31 31 VAL CB C 31 35.084 35.084 35.854 -0.770 17913 353 1 2 . 1 1 32 32 ASP N N 32 124.983 124.983 129.561 -4.578 17913 354 1 2 . 1 1 32 32 ASP HA H 32 5.369 5.369 5.003 0.366 17913 355 1 2 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.757 0.262 17913 356 1 2 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.540 -2.215 17913 357 1 2 . 1 1 33 33 VAL N N 33 127.010 127.010 125.029 1.981 17913 358 1 2 . 1 1 33 33 VAL HA H 33 4.155 4.155 5.075 -0.920 17913 359 1 2 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.618 2.610 17913 360 1 2 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.074 1.188 17913 361 1 2 . 1 1 34 34 MET N N 34 126.236 126.236 126.888 -0.652 17913 362 1 2 . 1 1 34 34 MET HA H 34 4.646 4.646 4.477 0.169 17913 363 1 2 . 1 1 34 34 MET CA C 34 56.039 56.039 56.661 -0.622 17913 364 1 2 . 1 1 34 34 MET CB C 34 35.364 35.364 32.769 2.595 17913 365 1 2 . 1 1 35 35 GLU N N 35 118.007 118.007 117.611 0.396 17913 366 1 2 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.588 -0.114 17913 367 1 2 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.521 0.035 17913 368 1 2 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.319 0.151 17913 369 1 2 . 1 1 36 36 LYS N N 36 124.151 124.151 124.867 -0.716 17913 370 1 2 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.985 -0.624 17913 371 1 2 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.719 -0.142 17913 372 1 2 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.222 -0.241 17913 373 1 2 . 1 1 37 37 CYS N N 37 122.385 122.385 125.483 -3.098 17913 374 1 2 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.449 0.143 17913 375 1 2 . 1 1 37 37 CYS CA C 37 58.377 58.377 59.093 -0.716 17913 376 1 2 . 1 1 37 37 CYS CB C 37 29.217 29.217 29.205 0.012 17913 377 1 2 . 1 1 38 38 ASP N N 38 123.591 123.591 126.207 -2.616 17913 378 1 2 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.297 0.058 17913 379 1 2 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.903 -0.148 17913 380 1 2 . 1 1 38 38 ASP CB C 38 40.300 40.300 40.520 -0.220 17913 381 1 2 . 1 1 39 39 ASP N N 39 117.190 117.190 118.006 -0.816 17913 382 1 2 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.214 0.258 17913 383 1 2 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.274 -1.058 17913 384 1 2 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.420 -0.290 17913 385 1 2 . 1 1 40 40 GLY N N 40 105.575 105.575 104.524 1.051 17913 386 1 2 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.057 0.918 17913 387 1 2 . 1 1 41 41 TRP N N 41 123.669 123.669 119.360 4.309 17913 388 1 2 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.209 -0.152 17913 389 1 2 . 1 1 41 41 TRP CA C 41 58.452 58.452 55.328 3.124 17913 390 1 2 . 1 1 41 41 TRP CB C 41 27.230 27.230 30.715 -3.485 17913 391 1 2 . 1 1 42 42 PHE N N 42 120.474 120.474 114.625 5.849 17913 392 1 2 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.413 -0.071 17913 393 1 2 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.591 -4.143 17913 394 1 2 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.497 -0.867 17913 395 1 2 . 1 1 43 43 VAL N N 43 121.847 121.847 119.224 2.623 17913 396 1 2 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.173 0.450 17913 397 1 2 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.795 -0.620 17913 398 1 2 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.432 2.086 17913 399 1 2 . 1 1 44 44 GLY N N 44 113.784 113.784 110.739 3.045 17913 400 1 2 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.551 2.337 17913 401 1 2 . 1 1 45 45 THR N N 45 112.652 112.652 117.366 -4.714 17913 402 1 2 . 1 1 45 45 THR HA H 45 5.506 5.506 5.244 0.262 17913 403 1 2 . 1 1 45 45 THR CA C 45 60.396 60.396 61.786 -1.391 17913 404 1 2 . 1 1 45 45 THR CB C 45 71.151 71.151 71.171 -0.020 17913 405 1 2 . 1 1 46 46 SER N N 46 119.945 119.945 121.659 -1.714 17913 406 1 2 . 1 1 46 46 SER HA H 46 4.496 4.496 4.882 -0.386 17913 407 1 2 . 1 1 46 46 SER CA C 46 57.007 57.007 56.998 0.009 17913 408 1 2 . 1 1 46 46 SER CB C 46 63.816 63.816 64.340 -0.524 17913 409 1 2 . 1 1 47 47 ARG N N 47 128.825 128.825 129.191 -0.366 17913 410 1 2 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.327 -0.110 17913 411 1 2 . 1 1 47 47 ARG CA C 47 59.482 59.482 57.550 1.932 17913 412 1 2 . 1 1 47 47 ARG CB C 47 29.995 29.995 30.458 -0.463 17913 413 1 2 . 1 1 48 48 ARG N N 48 118.813 118.813 117.731 1.082 17913 414 1 2 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.359 -0.142 17913 415 1 2 . 1 1 48 48 ARG CA C 48 59.206 59.206 58.403 0.803 17913 416 1 2 . 1 1 48 48 ARG CB C 48 30.978 30.978 31.019 -0.041 17913 417 1 2 . 1 1 49 49 THR N N 49 105.015 105.015 111.318 -6.303 17913 418 1 2 . 1 1 49 49 THR HA H 49 4.320 4.320 4.407 -0.087 17913 419 1 2 . 1 1 49 49 THR CA C 49 61.456 61.456 61.339 0.117 17913 420 1 2 . 1 1 49 49 THR CB C 49 70.527 70.527 69.516 1.011 17913 421 1 2 . 1 1 50 50 LYS N N 50 115.674 115.674 119.354 -3.680 17913 422 1 2 . 1 1 50 50 LYS HA H 50 4.045 4.045 4.203 -0.158 17913 423 1 2 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.776 0.082 17913 424 1 2 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.815 -0.775 17913 425 1 2 . 1 1 51 51 GLN N N 51 118.027 118.027 116.083 1.944 17913 426 1 2 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.635 -0.233 17913 427 1 2 . 1 1 51 51 GLN CA C 51 55.577 55.577 53.984 1.593 17913 428 1 2 . 1 1 51 51 GLN CB C 51 29.802 29.802 32.259 -2.457 17913 429 1 2 . 1 1 52 52 PHE N N 52 122.149 122.149 120.127 2.022 17913 430 1 2 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.654 -0.077 17913 431 1 2 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.010 -0.495 17913 432 1 2 . 1 1 52 52 PHE CB C 52 42.919 42.919 41.203 1.716 17913 433 1 2 . 1 1 53 53 GLY N N 53 113.270 113.270 114.368 -1.098 17913 434 1 2 . 1 1 53 53 GLY CA C 53 45.554 45.554 43.912 1.642 17913 435 1 2 . 1 1 54 54 THR N N 54 113.615 113.615 116.912 -3.297 17913 436 1 2 . 1 1 54 54 THR HA H 54 6.034 6.034 5.044 0.990 17913 437 1 2 . 1 1 54 54 THR CA C 54 57.841 57.841 60.758 -2.917 17913 438 1 2 . 1 1 54 54 THR CB C 54 71.605 71.605 70.039 1.566 17913 439 1 2 . 1 1 55 55 PHE N N 55 123.708 123.708 121.125 2.583 17913 440 1 2 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.856 -0.006 17913 441 1 2 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.470 -0.418 17913 442 1 2 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.380 -1.163 17913 443 1 2 . 1 1 56 56 PRO HA H 56 2.269 2.269 4.395 -2.126 17913 444 1 2 . 1 1 56 56 PRO CA C 56 61.844 61.844 63.515 -1.671 17913 445 1 2 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.363 -0.318 17913 446 1 2 . 1 1 57 57 GLY N N 57 112.583 112.583 109.414 3.169 17913 447 1 2 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.381 -0.785 17913 448 1 2 . 1 1 58 58 ASN N N 58 112.820 112.820 117.624 -4.804 17913 449 1 2 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.755 -0.132 17913 450 1 2 . 1 1 58 58 ASN CA C 58 52.873 52.873 53.346 -0.473 17913 451 1 2 . 1 1 58 58 ASN CB C 58 35.033 35.033 38.227 -3.194 17913 452 1 2 . 1 1 59 59 TYR N N 59 119.700 119.700 118.354 1.346 17913 453 1 2 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.678 -0.022 17913 454 1 2 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.210 0.987 17913 455 1 2 . 1 1 59 59 TYR CB C 59 37.501 37.501 39.970 -2.469 17913 456 1 2 . 1 1 60 60 VAL N N 60 108.984 108.984 119.068 -10.084 17913 457 1 2 . 1 1 60 60 VAL HA H 60 5.454 5.454 3.976 1.478 17913 458 1 2 . 1 1 60 60 VAL CA C 60 58.191 58.191 60.074 -1.883 17913 459 1 2 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.294 2.388 17913 460 1 2 . 1 1 61 61 LYS N N 61 118.836 118.836 125.493 -6.657 17913 461 1 2 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.024 0.223 17913 462 1 2 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.965 -0.313 17913 463 1 2 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.679 1.065 17913 464 1 2 . 1 1 62 62 PRO HA H 62 3.516 3.516 3.950 -0.434 17913 465 1 2 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.886 0.044 17913 466 1 2 . 1 1 62 62 PRO CB C 62 31.833 31.833 32.029 -0.195 17913 467 1 2 . 1 1 63 63 LEU N N 63 122.539 122.539 124.940 -2.401 17913 468 1 2 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.242 -0.048 17913 469 1 2 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.155 -0.466 17913 470 1 2 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.404 1.364 17913 471 1 3 . 1 1 2 2 THR N N 2 115.123 115.123 121.026 -5.903 17913 472 1 3 . 1 1 2 2 THR HA H 2 4.359 4.359 4.494 -0.135 17913 473 1 3 . 1 1 2 2 THR CA C 2 61.918 61.918 62.286 -0.368 17913 474 1 3 . 1 1 2 2 THR CB C 2 70.007 70.007 68.868 1.139 17913 475 1 3 . 1 1 3 3 SER N N 3 117.860 117.860 118.570 -0.710 17913 476 1 3 . 1 1 3 3 SER HA H 3 4.393 4.393 4.331 0.062 17913 477 1 3 . 1 1 3 3 SER CA C 3 58.538 58.538 59.444 -0.906 17913 478 1 3 . 1 1 3 3 SER CB C 3 63.865 63.865 63.921 -0.056 17913 479 1 3 . 1 1 4 4 GLN N N 4 121.904 121.904 120.974 0.930 17913 480 1 3 . 1 1 4 4 GLN HA H 4 4.287 4.287 3.984 0.303 17913 481 1 3 . 1 1 4 4 GLN CA C 4 55.929 55.929 55.351 0.578 17913 482 1 3 . 1 1 4 4 GLN CB C 4 29.431 29.431 29.083 0.348 17913 483 1 3 . 1 1 5 5 ASP N N 5 121.274 121.274 119.003 2.271 17913 484 1 3 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.496 0.019 17913 485 1 3 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.887 0.735 17913 486 1 3 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.158 0.022 17913 487 1 3 . 1 1 6 6 LEU N N 6 121.060 121.060 119.369 1.691 17913 488 1 3 . 1 1 6 6 LEU HA H 6 4.256 4.256 3.902 0.354 17913 489 1 3 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.373 0.684 17913 490 1 3 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.476 0.234 17913 491 1 3 . 1 1 7 7 PHE N N 7 119.312 119.312 117.298 2.014 17913 492 1 3 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.641 0.211 17913 493 1 3 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.752 0.212 17913 494 1 3 . 1 1 7 7 PHE CB C 7 40.497 40.497 39.980 0.517 17913 495 1 3 . 1 1 8 8 SER N N 8 117.645 117.645 115.260 2.385 17913 496 1 3 . 1 1 8 8 SER HA H 8 5.341 5.341 5.437 -0.096 17913 497 1 3 . 1 1 8 8 SER CA C 8 58.530 58.530 57.910 0.620 17913 498 1 3 . 1 1 8 8 SER CB C 8 64.615 64.615 64.716 -0.102 17913 499 1 3 . 1 1 9 9 TYR N N 9 123.973 123.973 121.014 2.959 17913 500 1 3 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.776 0.295 17913 501 1 3 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.409 -0.786 17913 502 1 3 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.468 0.248 17913 503 1 3 . 1 1 10 10 GLN N N 10 119.777 119.777 121.253 -1.476 17913 504 1 3 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.303 0.146 17913 505 1 3 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.702 -0.496 17913 506 1 3 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.562 0.272 17913 507 1 3 . 1 1 11 11 ALA N N 11 128.040 128.040 128.607 -0.567 17913 508 1 3 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.531 0.143 17913 509 1 3 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.163 1.635 17913 510 1 3 . 1 1 11 11 ALA CB C 11 19.060 19.060 20.012 -0.952 17913 511 1 3 . 1 1 12 12 LEU N N 12 126.475 126.475 123.848 2.627 17913 512 1 3 . 1 1 12 12 LEU HA H 12 3.959 3.959 3.916 0.043 17913 513 1 3 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.503 -2.371 17913 514 1 3 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.030 1.761 17913 515 1 3 . 1 1 13 13 TYR N N 13 112.484 112.484 113.808 -1.324 17913 516 1 3 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.641 0.112 17913 517 1 3 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.800 -2.208 17913 518 1 3 . 1 1 13 13 TYR CB C 13 42.569 42.569 41.973 0.596 17913 519 1 3 . 1 1 14 14 SER N N 14 113.568 113.568 115.441 -1.873 17913 520 1 3 . 1 1 14 14 SER HA H 14 4.397 4.397 4.654 -0.257 17913 521 1 3 . 1 1 14 14 SER CA C 14 58.401 58.401 57.364 1.037 17913 522 1 3 . 1 1 14 14 SER CB C 14 64.028 64.028 63.553 0.475 17913 523 1 3 . 1 1 15 15 TYR N N 15 122.458 122.458 126.887 -4.429 17913 524 1 3 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.620 0.074 17913 525 1 3 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.693 1.434 17913 526 1 3 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.058 1.026 17913 527 1 3 . 1 1 16 16 ILE N N 16 129.002 129.002 128.498 0.504 17913 528 1 3 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.388 -0.055 17913 529 1 3 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.435 -0.075 17913 530 1 3 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.533 0.465 17913 531 1 3 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.486 -0.111 17913 532 1 3 . 1 1 17 17 PRO CA C 17 63.614 63.614 63.279 0.335 17913 533 1 3 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.183 1.833 17913 534 1 3 . 1 1 18 18 GLN N N 18 120.610 120.610 122.637 -2.027 17913 535 1 3 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.342 -0.016 17913 536 1 3 . 1 1 18 18 GLN CA C 18 54.774 54.774 57.251 -2.477 17913 537 1 3 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.795 1.072 17913 538 1 3 . 1 1 19 19 ASN N N 19 114.130 114.130 118.125 -3.995 17913 539 1 3 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.995 -0.118 17913 540 1 3 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.566 -0.520 17913 541 1 3 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.881 3.235 17913 542 1 3 . 1 1 20 20 ASP N N 20 119.849 119.849 119.710 0.139 17913 543 1 3 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.522 -0.113 17913 544 1 3 . 1 1 20 20 ASP CA C 20 56.761 56.761 55.849 0.912 17913 545 1 3 . 1 1 20 20 ASP CB C 20 40.427 40.427 41.035 -0.608 17913 546 1 3 . 1 1 21 21 ASP N N 21 116.249 116.249 117.139 -0.890 17913 547 1 3 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.576 0.140 17913 548 1 3 . 1 1 21 21 ASP CA C 21 52.903 52.903 55.816 -2.913 17913 549 1 3 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.047 -1.528 17913 550 1 3 . 1 1 22 22 GLU N N 22 119.836 119.836 118.736 1.100 17913 551 1 3 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.046 0.260 17913 552 1 3 . 1 1 22 22 GLU CA C 22 54.842 54.842 56.192 -1.350 17913 553 1 3 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.291 0.522 17913 554 1 3 . 1 1 23 23 LEU N N 23 124.087 124.087 121.490 2.597 17913 555 1 3 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.693 -0.342 17913 556 1 3 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.458 -0.261 17913 557 1 3 . 1 1 23 23 LEU CB C 23 45.612 45.612 44.853 0.758 17913 558 1 3 . 1 1 24 24 GLU N N 24 122.201 122.201 124.907 -2.706 17913 559 1 3 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.408 0.156 17913 560 1 3 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.560 -0.362 17913 561 1 3 . 1 1 24 24 GLU CB C 24 29.835 29.835 29.851 -0.016 17913 562 1 3 . 1 1 25 25 LEU N N 25 125.205 125.205 126.119 -0.914 17913 563 1 3 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.633 -0.022 17913 564 1 3 . 1 1 25 25 LEU CA C 25 53.546 53.546 52.769 0.777 17913 565 1 3 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.454 0.660 17913 566 1 3 . 1 1 26 26 ARG N N 26 124.847 124.847 124.446 0.401 17913 567 1 3 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.642 0.083 17913 568 1 3 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.405 0.791 17913 569 1 3 . 1 1 26 26 ARG CB C 26 32.565 32.565 33.801 -1.236 17913 570 1 3 . 1 1 27 27 ASP N N 27 121.325 121.325 120.063 1.262 17913 571 1 3 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.332 -0.903 17913 572 1 3 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.056 0.994 17913 573 1 3 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.250 -0.036 17913 574 1 3 . 1 1 28 28 GLY N N 28 113.421 113.421 111.644 1.777 17913 575 1 3 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.292 -0.403 17913 576 1 3 . 1 1 29 29 ASP N N 29 122.317 122.317 120.106 2.211 17913 577 1 3 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.766 -0.310 17913 578 1 3 . 1 1 29 29 ASP CA C 29 55.528 55.528 53.254 2.275 17913 579 1 3 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.322 -1.764 17913 580 1 3 . 1 1 30 30 ILE N N 30 121.394 121.394 122.196 -0.802 17913 581 1 3 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.217 -0.216 17913 582 1 3 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.807 0.083 17913 583 1 3 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.586 -1.366 17913 584 1 3 . 1 1 31 31 VAL N N 31 124.770 124.770 127.341 -2.571 17913 585 1 3 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.563 0.311 17913 586 1 3 . 1 1 31 31 VAL CA C 31 58.941 58.941 60.243 -1.302 17913 587 1 3 . 1 1 31 31 VAL CB C 31 35.084 35.084 35.510 -0.426 17913 588 1 3 . 1 1 32 32 ASP N N 32 124.983 124.983 130.914 -5.931 17913 589 1 3 . 1 1 32 32 ASP HA H 32 5.369 5.369 4.960 0.409 17913 590 1 3 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.503 0.515 17913 591 1 3 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.133 -1.808 17913 592 1 3 . 1 1 33 33 VAL N N 33 127.010 127.010 125.658 1.352 17913 593 1 3 . 1 1 33 33 VAL HA H 33 4.155 4.155 4.990 -0.835 17913 594 1 3 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.503 2.725 17913 595 1 3 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.563 0.699 17913 596 1 3 . 1 1 34 34 MET N N 34 126.236 126.236 128.458 -2.222 17913 597 1 3 . 1 1 34 34 MET HA H 34 4.646 4.646 4.474 0.172 17913 598 1 3 . 1 1 34 34 MET CA C 34 56.039 56.039 56.772 -0.733 17913 599 1 3 . 1 1 34 34 MET CB C 34 35.364 35.364 32.966 2.398 17913 600 1 3 . 1 1 35 35 GLU N N 35 118.007 118.007 118.130 -0.123 17913 601 1 3 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.602 -0.128 17913 602 1 3 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.421 0.135 17913 603 1 3 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.399 0.071 17913 604 1 3 . 1 1 36 36 LYS N N 36 124.151 124.151 125.606 -1.455 17913 605 1 3 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.790 -0.429 17913 606 1 3 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.759 -0.182 17913 607 1 3 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.666 -0.685 17913 608 1 3 . 1 1 37 37 CYS N N 37 122.385 122.385 124.454 -2.069 17913 609 1 3 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.435 0.157 17913 610 1 3 . 1 1 37 37 CYS CA C 37 58.377 58.377 59.502 -1.125 17913 611 1 3 . 1 1 37 37 CYS CB C 37 29.217 29.217 29.338 -0.121 17913 612 1 3 . 1 1 38 38 ASP N N 38 123.591 123.591 122.589 1.002 17913 613 1 3 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.561 -0.206 17913 614 1 3 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.116 0.639 17913 615 1 3 . 1 1 38 38 ASP CB C 38 40.300 40.300 41.217 -0.917 17913 616 1 3 . 1 1 39 39 ASP N N 39 117.190 117.190 117.681 -0.491 17913 617 1 3 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.676 -0.204 17913 618 1 3 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.456 -1.240 17913 619 1 3 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.968 -0.838 17913 620 1 3 . 1 1 40 40 GLY N N 40 105.575 105.575 113.088 -7.513 17913 621 1 3 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.973 0.002 17913 622 1 3 . 1 1 41 41 TRP N N 41 123.669 123.669 123.248 0.421 17913 623 1 3 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.626 -0.569 17913 624 1 3 . 1 1 41 41 TRP CA C 41 58.452 58.452 55.012 3.440 17913 625 1 3 . 1 1 41 41 TRP CB C 41 27.230 27.230 30.834 -3.604 17913 626 1 3 . 1 1 42 42 PHE N N 42 120.474 120.474 116.475 3.999 17913 627 1 3 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.216 0.126 17913 628 1 3 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.733 -4.285 17913 629 1 3 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.693 -1.063 17913 630 1 3 . 1 1 43 43 VAL N N 43 121.847 121.847 119.025 2.822 17913 631 1 3 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.181 0.442 17913 632 1 3 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.714 -0.539 17913 633 1 3 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.444 2.074 17913 634 1 3 . 1 1 44 44 GLY N N 44 113.784 113.784 110.445 3.339 17913 635 1 3 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.320 2.568 17913 636 1 3 . 1 1 45 45 THR N N 45 112.652 112.652 117.631 -4.979 17913 637 1 3 . 1 1 45 45 THR HA H 45 5.506 5.506 5.203 0.303 17913 638 1 3 . 1 1 45 45 THR CA C 45 60.396 60.396 61.515 -1.119 17913 639 1 3 . 1 1 45 45 THR CB C 45 71.151 71.151 70.909 0.242 17913 640 1 3 . 1 1 46 46 SER N N 46 119.945 119.945 121.007 -1.062 17913 641 1 3 . 1 1 46 46 SER HA H 46 4.496 4.496 4.548 -0.052 17913 642 1 3 . 1 1 46 46 SER CA C 46 57.007 57.007 57.226 -0.219 17913 643 1 3 . 1 1 46 46 SER CB C 46 63.816 63.816 64.262 -0.446 17913 644 1 3 . 1 1 47 47 ARG N N 47 128.825 128.825 127.611 1.214 17913 645 1 3 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.215 0.002 17913 646 1 3 . 1 1 47 47 ARG CA C 47 59.482 59.482 57.395 2.087 17913 647 1 3 . 1 1 47 47 ARG CB C 47 29.995 29.995 29.917 0.078 17913 648 1 3 . 1 1 48 48 ARG N N 48 118.813 118.813 119.606 -0.793 17913 649 1 3 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.333 -0.117 17913 650 1 3 . 1 1 48 48 ARG CA C 48 59.206 59.206 59.217 -0.011 17913 651 1 3 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.287 0.691 17913 652 1 3 . 1 1 49 49 THR N N 49 105.015 105.015 111.465 -6.450 17913 653 1 3 . 1 1 49 49 THR HA H 49 4.320 4.320 4.197 0.123 17913 654 1 3 . 1 1 49 49 THR CA C 49 61.456 61.456 62.102 -0.646 17913 655 1 3 . 1 1 49 49 THR CB C 49 70.527 70.527 68.804 1.723 17913 656 1 3 . 1 1 50 50 LYS N N 50 115.674 115.674 117.282 -1.608 17913 657 1 3 . 1 1 50 50 LYS HA H 50 4.045 4.045 3.977 0.068 17913 658 1 3 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.355 0.503 17913 659 1 3 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.050 -0.010 17913 660 1 3 . 1 1 51 51 GLN N N 51 118.027 118.027 116.640 1.387 17913 661 1 3 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.168 0.234 17913 662 1 3 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.477 1.100 17913 663 1 3 . 1 1 51 51 GLN CB C 51 29.802 29.802 31.246 -1.444 17913 664 1 3 . 1 1 52 52 PHE N N 52 122.149 122.149 118.488 3.661 17913 665 1 3 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.366 0.211 17913 666 1 3 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.700 -1.185 17913 667 1 3 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.189 2.730 17913 668 1 3 . 1 1 53 53 GLY N N 53 113.270 113.270 111.900 1.370 17913 669 1 3 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.037 1.517 17913 670 1 3 . 1 1 54 54 THR N N 54 113.615 113.615 117.056 -3.441 17913 671 1 3 . 1 1 54 54 THR HA H 54 6.034 6.034 5.122 0.912 17913 672 1 3 . 1 1 54 54 THR CA C 54 57.841 57.841 60.611 -2.770 17913 673 1 3 . 1 1 54 54 THR CB C 54 71.605 71.605 70.367 1.238 17913 674 1 3 . 1 1 55 55 PHE N N 55 123.708 123.708 121.309 2.399 17913 675 1 3 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.094 0.756 17913 676 1 3 . 1 1 55 55 PHE CA C 55 55.052 55.052 54.899 0.153 17913 677 1 3 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.070 -0.852 17913 678 1 3 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.574 -1.305 17913 679 1 3 . 1 1 56 56 PRO CA C 56 61.844 61.844 62.580 -0.736 17913 680 1 3 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.189 -0.144 17913 681 1 3 . 1 1 57 57 GLY N N 57 112.583 112.583 110.613 1.970 17913 682 1 3 . 1 1 57 57 GLY CA C 57 44.596 44.596 44.942 -0.346 17913 683 1 3 . 1 1 58 58 ASN N N 58 112.820 112.820 117.306 -4.486 17913 684 1 3 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.748 -0.125 17913 685 1 3 . 1 1 58 58 ASN CA C 58 52.873 52.873 52.505 0.368 17913 686 1 3 . 1 1 58 58 ASN CB C 58 35.033 35.033 38.030 -2.997 17913 687 1 3 . 1 1 59 59 TYR N N 59 119.700 119.700 119.122 0.578 17913 688 1 3 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.636 0.020 17913 689 1 3 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.540 0.657 17913 690 1 3 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.303 -2.801 17913 691 1 3 . 1 1 60 60 VAL N N 60 108.984 108.984 118.611 -9.627 17913 692 1 3 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.186 1.268 17913 693 1 3 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.912 -1.721 17913 694 1 3 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.585 2.097 17913 695 1 3 . 1 1 61 61 LYS N N 61 118.836 118.836 123.496 -4.660 17913 696 1 3 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.038 0.209 17913 697 1 3 . 1 1 61 61 LYS CA C 61 52.652 52.652 53.105 -0.453 17913 698 1 3 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.135 1.609 17913 699 1 3 . 1 1 62 62 PRO HA H 62 3.516 3.516 4.066 -0.550 17913 700 1 3 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.938 -0.008 17913 701 1 3 . 1 1 62 62 PRO CB C 62 31.833 31.833 32.032 -0.199 17913 702 1 3 . 1 1 63 63 LEU N N 63 122.539 122.539 121.556 0.983 17913 703 1 3 . 1 1 63 63 LEU HA H 63 4.194 4.194 3.967 0.227 17913 704 1 3 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.545 -0.856 17913 705 1 3 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.964 0.804 17913 706 1 4 . 1 1 2 2 THR N N 2 115.123 115.123 116.456 -1.333 17913 707 1 4 . 1 1 2 2 THR HA H 2 4.359 4.359 4.229 0.130 17913 708 1 4 . 1 1 2 2 THR CA C 2 61.918 61.918 63.740 -1.823 17913 709 1 4 . 1 1 2 2 THR CB C 2 70.007 70.007 69.247 0.760 17913 710 1 4 . 1 1 3 3 SER N N 3 117.860 117.860 113.555 4.305 17913 711 1 4 . 1 1 3 3 SER HA H 3 4.393 4.393 4.519 -0.126 17913 712 1 4 . 1 1 3 3 SER CA C 3 58.538 58.538 57.294 1.244 17913 713 1 4 . 1 1 3 3 SER CB C 3 63.865 63.865 64.462 -0.597 17913 714 1 4 . 1 1 4 4 GLN N N 4 121.904 121.904 122.141 -0.237 17913 715 1 4 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.174 0.113 17913 716 1 4 . 1 1 4 4 GLN CA C 4 55.929 55.929 55.669 0.260 17913 717 1 4 . 1 1 4 4 GLN CB C 4 29.431 29.431 28.431 1.000 17913 718 1 4 . 1 1 5 5 ASP N N 5 121.274 121.274 125.364 -4.090 17913 719 1 4 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.630 -0.115 17913 720 1 4 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.667 0.955 17913 721 1 4 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.841 -0.661 17913 722 1 4 . 1 1 6 6 LEU N N 6 121.060 121.060 122.163 -1.103 17913 723 1 4 . 1 1 6 6 LEU HA H 6 4.256 4.256 3.973 0.283 17913 724 1 4 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.599 0.458 17913 725 1 4 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.707 0.003 17913 726 1 4 . 1 1 7 7 PHE N N 7 119.312 119.312 117.655 1.657 17913 727 1 4 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.645 0.207 17913 728 1 4 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.473 0.491 17913 729 1 4 . 1 1 7 7 PHE CB C 7 40.497 40.497 41.319 -0.821 17913 730 1 4 . 1 1 8 8 SER N N 8 117.645 117.645 114.701 2.944 17913 731 1 4 . 1 1 8 8 SER HA H 8 5.341 5.341 5.237 0.104 17913 732 1 4 . 1 1 8 8 SER CA C 8 58.530 58.530 57.459 1.071 17913 733 1 4 . 1 1 8 8 SER CB C 8 64.615 64.615 64.855 -0.240 17913 734 1 4 . 1 1 9 9 TYR N N 9 123.973 123.973 120.743 3.230 17913 735 1 4 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.837 0.234 17913 736 1 4 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.121 -0.498 17913 737 1 4 . 1 1 9 9 TYR CB C 9 42.716 42.716 41.797 0.919 17913 738 1 4 . 1 1 10 10 GLN N N 10 119.777 119.777 121.398 -1.621 17913 739 1 4 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.388 0.061 17913 740 1 4 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.599 -0.392 17913 741 1 4 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.661 0.173 17913 742 1 4 . 1 1 11 11 ALA N N 11 128.040 128.040 128.536 -0.496 17913 743 1 4 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.461 0.213 17913 744 1 4 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.072 1.726 17913 745 1 4 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.976 -0.916 17913 746 1 4 . 1 1 12 12 LEU N N 12 126.475 126.475 124.618 1.857 17913 747 1 4 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.086 -0.127 17913 748 1 4 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.650 -2.518 17913 749 1 4 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.090 1.701 17913 750 1 4 . 1 1 13 13 TYR N N 13 112.484 112.484 110.533 1.951 17913 751 1 4 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.831 -0.078 17913 752 1 4 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.082 -1.490 17913 753 1 4 . 1 1 13 13 TYR CB C 13 42.569 42.569 39.267 3.302 17913 754 1 4 . 1 1 14 14 SER N N 14 113.568 113.568 116.238 -2.670 17913 755 1 4 . 1 1 14 14 SER HA H 14 4.397 4.397 4.445 -0.048 17913 756 1 4 . 1 1 14 14 SER CA C 14 58.401 58.401 58.832 -0.431 17913 757 1 4 . 1 1 14 14 SER CB C 14 64.028 64.028 63.620 0.408 17913 758 1 4 . 1 1 15 15 TYR N N 15 122.458 122.458 126.413 -3.955 17913 759 1 4 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.653 0.041 17913 760 1 4 . 1 1 15 15 TYR CA C 15 59.127 59.127 56.946 2.181 17913 761 1 4 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.599 0.485 17913 762 1 4 . 1 1 16 16 ILE N N 16 129.002 129.002 126.526 2.476 17913 763 1 4 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.313 0.020 17913 764 1 4 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.394 -0.034 17913 765 1 4 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.630 0.368 17913 766 1 4 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.536 -0.161 17913 767 1 4 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.767 0.846 17913 768 1 4 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.130 1.887 17913 769 1 4 . 1 1 18 18 GLN N N 18 120.610 120.610 123.372 -2.762 17913 770 1 4 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.066 0.260 17913 771 1 4 . 1 1 18 18 GLN CA C 18 54.774 54.774 57.341 -2.567 17913 772 1 4 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.347 1.520 17913 773 1 4 . 1 1 19 19 ASN N N 19 114.130 114.130 115.719 -1.589 17913 774 1 4 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.937 -0.060 17913 775 1 4 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.072 -0.026 17913 776 1 4 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.530 3.586 17913 777 1 4 . 1 1 20 20 ASP N N 20 119.849 119.849 119.235 0.614 17913 778 1 4 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.526 -0.117 17913 779 1 4 . 1 1 20 20 ASP CA C 20 56.761 56.761 55.918 0.843 17913 780 1 4 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.984 -0.557 17913 781 1 4 . 1 1 21 21 ASP N N 21 116.249 116.249 114.905 1.344 17913 782 1 4 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.489 0.227 17913 783 1 4 . 1 1 21 21 ASP CA C 21 52.903 52.903 54.595 -1.692 17913 784 1 4 . 1 1 21 21 ASP CB C 21 39.519 39.519 40.498 -0.979 17913 785 1 4 . 1 1 22 22 GLU N N 22 119.836 119.836 119.141 0.695 17913 786 1 4 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.140 0.166 17913 787 1 4 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.693 -0.851 17913 788 1 4 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.449 0.364 17913 789 1 4 . 1 1 23 23 LEU N N 23 124.087 124.087 120.845 3.242 17913 790 1 4 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.618 -0.267 17913 791 1 4 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.354 -0.157 17913 792 1 4 . 1 1 23 23 LEU CB C 23 45.612 45.612 45.251 0.361 17913 793 1 4 . 1 1 24 24 GLU N N 24 122.201 122.201 124.811 -2.610 17913 794 1 4 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.245 0.319 17913 795 1 4 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.573 -0.375 17913 796 1 4 . 1 1 24 24 GLU CB C 24 29.835 29.835 29.927 -0.092 17913 797 1 4 . 1 1 25 25 LEU N N 25 125.205 125.205 128.235 -3.030 17913 798 1 4 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.613 -0.002 17913 799 1 4 . 1 1 25 25 LEU CA C 25 53.546 53.546 52.843 0.703 17913 800 1 4 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.497 0.617 17913 801 1 4 . 1 1 26 26 ARG N N 26 124.847 124.847 124.717 0.130 17913 802 1 4 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.650 0.075 17913 803 1 4 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.337 0.859 17913 804 1 4 . 1 1 26 26 ARG CB C 26 32.565 32.565 33.944 -1.379 17913 805 1 4 . 1 1 27 27 ASP N N 27 121.325 121.325 119.269 2.056 17913 806 1 4 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.269 -0.840 17913 807 1 4 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.284 0.766 17913 808 1 4 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.806 -0.592 17913 809 1 4 . 1 1 28 28 GLY N N 28 113.421 113.421 110.167 3.254 17913 810 1 4 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.799 -0.910 17913 811 1 4 . 1 1 29 29 ASP N N 29 122.317 122.317 119.471 2.846 17913 812 1 4 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.730 -0.274 17913 813 1 4 . 1 1 29 29 ASP CA C 29 55.528 55.528 53.097 2.431 17913 814 1 4 . 1 1 29 29 ASP CB C 29 41.558 41.558 42.901 -1.343 17913 815 1 4 . 1 1 30 30 ILE N N 30 121.394 121.394 122.549 -1.155 17913 816 1 4 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.275 -0.274 17913 817 1 4 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.929 -0.039 17913 818 1 4 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.987 -1.767 17913 819 1 4 . 1 1 31 31 VAL N N 31 124.770 124.770 125.794 -1.024 17913 820 1 4 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.883 -0.009 17913 821 1 4 . 1 1 31 31 VAL CA C 31 58.941 58.941 59.895 -0.954 17913 822 1 4 . 1 1 31 31 VAL CB C 31 35.084 35.084 35.858 -0.774 17913 823 1 4 . 1 1 32 32 ASP N N 32 124.983 124.983 130.748 -5.765 17913 824 1 4 . 1 1 32 32 ASP HA H 32 5.369 5.369 4.996 0.373 17913 825 1 4 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.470 0.548 17913 826 1 4 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.229 -1.904 17913 827 1 4 . 1 1 33 33 VAL N N 33 127.010 127.010 124.547 2.463 17913 828 1 4 . 1 1 33 33 VAL HA H 33 4.155 4.155 4.895 -0.740 17913 829 1 4 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.741 2.487 17913 830 1 4 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.342 0.920 17913 831 1 4 . 1 1 34 34 MET N N 34 126.236 126.236 127.119 -0.883 17913 832 1 4 . 1 1 34 34 MET HA H 34 4.646 4.646 4.496 0.150 17913 833 1 4 . 1 1 34 34 MET CA C 34 56.039 56.039 56.939 -0.900 17913 834 1 4 . 1 1 34 34 MET CB C 34 35.364 35.364 32.992 2.372 17913 835 1 4 . 1 1 35 35 GLU N N 35 118.007 118.007 117.806 0.201 17913 836 1 4 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.680 -0.206 17913 837 1 4 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.447 0.109 17913 838 1 4 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.900 -0.430 17913 839 1 4 . 1 1 36 36 LYS N N 36 124.151 124.151 123.319 0.832 17913 840 1 4 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.843 -0.482 17913 841 1 4 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.731 -0.154 17913 842 1 4 . 1 1 36 36 LYS CB C 36 32.981 32.981 34.035 -1.054 17913 843 1 4 . 1 1 37 37 CYS N N 37 122.385 122.385 123.057 -0.672 17913 844 1 4 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.691 -0.099 17913 845 1 4 . 1 1 37 37 CYS CA C 37 58.377 58.377 57.068 1.309 17913 846 1 4 . 1 1 37 37 CYS CB C 37 29.217 29.217 29.479 -0.262 17913 847 1 4 . 1 1 38 38 ASP N N 38 123.591 123.591 125.407 -1.816 17913 848 1 4 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.472 -0.117 17913 849 1 4 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.983 -0.229 17913 850 1 4 . 1 1 38 38 ASP CB C 38 40.300 40.300 40.741 -0.441 17913 851 1 4 . 1 1 39 39 ASP N N 39 117.190 117.190 117.124 0.066 17913 852 1 4 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.547 -0.075 17913 853 1 4 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.517 -1.300 17913 854 1 4 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.771 -0.641 17913 855 1 4 . 1 1 40 40 GLY N N 40 105.575 105.575 106.664 -1.089 17913 856 1 4 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.719 0.256 17913 857 1 4 . 1 1 41 41 TRP N N 41 123.669 123.669 120.106 3.563 17913 858 1 4 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.532 -0.475 17913 859 1 4 . 1 1 41 41 TRP CA C 41 58.452 58.452 54.978 3.474 17913 860 1 4 . 1 1 41 41 TRP CB C 41 27.230 27.230 30.020 -2.790 17913 861 1 4 . 1 1 42 42 PHE N N 42 120.474 120.474 118.170 2.304 17913 862 1 4 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.394 -0.052 17913 863 1 4 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.615 -4.167 17913 864 1 4 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.794 -1.164 17913 865 1 4 . 1 1 43 43 VAL N N 43 121.847 121.847 118.882 2.965 17913 866 1 4 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.221 0.402 17913 867 1 4 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.668 -0.493 17913 868 1 4 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.548 1.970 17913 869 1 4 . 1 1 44 44 GLY N N 44 113.784 113.784 109.781 4.003 17913 870 1 4 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.966 1.922 17913 871 1 4 . 1 1 45 45 THR N N 45 112.652 112.652 117.637 -4.985 17913 872 1 4 . 1 1 45 45 THR HA H 45 5.506 5.506 5.283 0.223 17913 873 1 4 . 1 1 45 45 THR CA C 45 60.396 60.396 61.786 -1.391 17913 874 1 4 . 1 1 45 45 THR CB C 45 71.151 71.151 70.952 0.199 17913 875 1 4 . 1 1 46 46 SER N N 46 119.945 119.945 120.816 -0.871 17913 876 1 4 . 1 1 46 46 SER HA H 46 4.496 4.496 4.864 -0.368 17913 877 1 4 . 1 1 46 46 SER CA C 46 57.007 57.007 57.142 -0.135 17913 878 1 4 . 1 1 46 46 SER CB C 46 63.816 63.816 64.426 -0.610 17913 879 1 4 . 1 1 47 47 ARG N N 47 128.825 128.825 127.516 1.309 17913 880 1 4 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.273 -0.056 17913 881 1 4 . 1 1 47 47 ARG CA C 47 59.482 59.482 57.837 1.645 17913 882 1 4 . 1 1 47 47 ARG CB C 47 29.995 29.995 30.058 -0.062 17913 883 1 4 . 1 1 48 48 ARG N N 48 118.813 118.813 118.897 -0.084 17913 884 1 4 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.363 -0.147 17913 885 1 4 . 1 1 48 48 ARG CA C 48 59.206 59.206 58.898 0.308 17913 886 1 4 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.290 0.688 17913 887 1 4 . 1 1 49 49 THR N N 49 105.015 105.015 111.966 -6.951 17913 888 1 4 . 1 1 49 49 THR HA H 49 4.320 4.320 4.292 0.028 17913 889 1 4 . 1 1 49 49 THR CA C 49 61.456 61.456 62.362 -0.906 17913 890 1 4 . 1 1 49 49 THR CB C 49 70.527 70.527 69.236 1.291 17913 891 1 4 . 1 1 50 50 LYS N N 50 115.674 115.674 118.109 -2.435 17913 892 1 4 . 1 1 50 50 LYS HA H 50 4.045 4.045 4.207 -0.162 17913 893 1 4 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.586 0.272 17913 894 1 4 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.487 -0.447 17913 895 1 4 . 1 1 51 51 GLN N N 51 118.027 118.027 116.528 1.499 17913 896 1 4 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.610 -0.208 17913 897 1 4 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.153 1.424 17913 898 1 4 . 1 1 51 51 GLN CB C 51 29.802 29.802 31.790 -1.988 17913 899 1 4 . 1 1 52 52 PHE N N 52 122.149 122.149 119.789 2.360 17913 900 1 4 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.715 -0.138 17913 901 1 4 . 1 1 52 52 PHE CA C 52 55.515 55.515 55.845 -0.330 17913 902 1 4 . 1 1 52 52 PHE CB C 52 42.919 42.919 41.089 1.830 17913 903 1 4 . 1 1 53 53 GLY N N 53 113.270 113.270 113.762 -0.492 17913 904 1 4 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.053 1.501 17913 905 1 4 . 1 1 54 54 THR N N 54 113.615 113.615 116.795 -3.180 17913 906 1 4 . 1 1 54 54 THR HA H 54 6.034 6.034 5.176 0.859 17913 907 1 4 . 1 1 54 54 THR CA C 54 57.841 57.841 60.716 -2.875 17913 908 1 4 . 1 1 54 54 THR CB C 54 71.605 71.605 70.250 1.355 17913 909 1 4 . 1 1 55 55 PHE N N 55 123.708 123.708 121.501 2.207 17913 910 1 4 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.972 -0.122 17913 911 1 4 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.447 -0.395 17913 912 1 4 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.297 -1.079 17913 913 1 4 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.140 -0.871 17913 914 1 4 . 1 1 56 56 PRO CA C 56 61.844 61.844 62.761 -0.917 17913 915 1 4 . 1 1 56 56 PRO CB C 56 31.045 31.045 30.784 0.261 17913 916 1 4 . 1 1 57 57 GLY N N 57 112.583 112.583 109.560 3.023 17913 917 1 4 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.160 -0.564 17913 918 1 4 . 1 1 58 58 ASN N N 58 112.820 112.820 117.546 -4.726 17913 919 1 4 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.624 -0.001 17913 920 1 4 . 1 1 58 58 ASN CA C 58 52.873 52.873 53.501 -0.628 17913 921 1 4 . 1 1 58 58 ASN CB C 58 35.033 35.033 37.635 -2.602 17913 922 1 4 . 1 1 59 59 TYR N N 59 119.700 119.700 118.873 0.827 17913 923 1 4 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.576 0.080 17913 924 1 4 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.367 0.830 17913 925 1 4 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.325 -2.824 17913 926 1 4 . 1 1 60 60 VAL N N 60 108.984 108.984 118.925 -9.941 17913 927 1 4 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.149 1.305 17913 928 1 4 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.860 -1.669 17913 929 1 4 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.601 2.081 17913 930 1 4 . 1 1 61 61 LYS N N 61 118.836 118.836 123.696 -4.860 17913 931 1 4 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.020 0.227 17913 932 1 4 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.988 -0.336 17913 933 1 4 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.255 1.489 17913 934 1 4 . 1 1 62 62 PRO HA H 62 3.516 3.516 4.012 -0.496 17913 935 1 4 . 1 1 62 62 PRO CA C 62 62.930 62.930 63.062 -0.132 17913 936 1 4 . 1 1 62 62 PRO CB C 62 31.833 31.833 31.843 -0.010 17913 937 1 4 . 1 1 63 63 LEU N N 63 122.539 122.539 124.072 -1.533 17913 938 1 4 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.036 0.158 17913 939 1 4 . 1 1 63 63 LEU CA C 63 54.689 54.689 56.171 -1.482 17913 940 1 4 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.744 1.024 17913 941 1 5 . 1 1 2 2 THR N N 2 115.123 115.123 116.017 -0.894 17913 942 1 5 . 1 1 2 2 THR HA H 2 4.359 4.359 4.481 -0.122 17913 943 1 5 . 1 1 2 2 THR CA C 2 61.918 61.918 61.792 0.126 17913 944 1 5 . 1 1 2 2 THR CB C 2 70.007 70.007 68.697 1.310 17913 945 1 5 . 1 1 3 3 SER N N 3 117.860 117.860 121.053 -3.193 17913 946 1 5 . 1 1 3 3 SER HA H 3 4.393 4.393 4.289 0.104 17913 947 1 5 . 1 1 3 3 SER CA C 3 58.538 58.538 59.184 -0.646 17913 948 1 5 . 1 1 3 3 SER CB C 3 63.865 63.865 63.745 0.120 17913 949 1 5 . 1 1 4 4 GLN N N 4 121.904 121.904 120.645 1.259 17913 950 1 5 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.135 0.152 17913 951 1 5 . 1 1 4 4 GLN CA C 4 55.929 55.929 55.959 -0.030 17913 952 1 5 . 1 1 4 4 GLN CB C 4 29.431 29.431 28.737 0.694 17913 953 1 5 . 1 1 5 5 ASP N N 5 121.274 121.274 120.587 0.687 17913 954 1 5 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.630 -0.115 17913 955 1 5 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.556 1.066 17913 956 1 5 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.827 -0.647 17913 957 1 5 . 1 1 6 6 LEU N N 6 121.060 121.060 119.699 1.361 17913 958 1 5 . 1 1 6 6 LEU HA H 6 4.256 4.256 3.966 0.290 17913 959 1 5 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.875 0.182 17913 960 1 5 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.567 0.143 17913 961 1 5 . 1 1 7 7 PHE N N 7 119.312 119.312 116.311 3.001 17913 962 1 5 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.792 0.060 17913 963 1 5 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.384 0.580 17913 964 1 5 . 1 1 7 7 PHE CB C 7 40.497 40.497 41.216 -0.719 17913 965 1 5 . 1 1 8 8 SER N N 8 117.645 117.645 116.103 1.542 17913 966 1 5 . 1 1 8 8 SER HA H 8 5.341 5.341 5.600 -0.259 17913 967 1 5 . 1 1 8 8 SER CA C 8 58.530 58.530 57.291 1.239 17913 968 1 5 . 1 1 8 8 SER CB C 8 64.615 64.615 66.098 -1.483 17913 969 1 5 . 1 1 9 9 TYR N N 9 123.973 123.973 120.593 3.380 17913 970 1 5 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.849 0.222 17913 971 1 5 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.148 -0.525 17913 972 1 5 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.407 0.309 17913 973 1 5 . 1 1 10 10 GLN N N 10 119.777 119.777 121.170 -1.393 17913 974 1 5 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.489 -0.040 17913 975 1 5 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.476 -0.270 17913 976 1 5 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.802 0.032 17913 977 1 5 . 1 1 11 11 ALA N N 11 128.040 128.040 128.609 -0.569 17913 978 1 5 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.539 0.135 17913 979 1 5 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.185 1.613 17913 980 1 5 . 1 1 11 11 ALA CB C 11 19.060 19.060 20.057 -0.997 17913 981 1 5 . 1 1 12 12 LEU N N 12 126.475 126.475 124.511 1.964 17913 982 1 5 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.036 -0.077 17913 983 1 5 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.031 -1.899 17913 984 1 5 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.068 1.724 17913 985 1 5 . 1 1 13 13 TYR N N 13 112.484 112.484 114.163 -1.679 17913 986 1 5 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.741 0.012 17913 987 1 5 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.529 -1.937 17913 988 1 5 . 1 1 13 13 TYR CB C 13 42.569 42.569 42.143 0.426 17913 989 1 5 . 1 1 14 14 SER N N 14 113.568 113.568 116.307 -2.739 17913 990 1 5 . 1 1 14 14 SER HA H 14 4.397 4.397 4.721 -0.324 17913 991 1 5 . 1 1 14 14 SER CA C 14 58.401 58.401 58.011 0.390 17913 992 1 5 . 1 1 14 14 SER CB C 14 64.028 64.028 63.460 0.568 17913 993 1 5 . 1 1 15 15 TYR N N 15 122.458 122.458 126.306 -3.848 17913 994 1 5 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.680 0.014 17913 995 1 5 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.735 1.392 17913 996 1 5 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.371 0.713 17913 997 1 5 . 1 1 16 16 ILE N N 16 129.002 129.002 127.957 1.045 17913 998 1 5 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.401 -0.068 17913 999 1 5 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.750 -0.390 17913 1000 1 5 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.711 0.287 17913 1001 1 5 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.410 -0.035 17913 1002 1 5 . 1 1 17 17 PRO CA C 17 63.614 63.614 63.283 0.331 17913 1003 1 5 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.177 1.839 17913 1004 1 5 . 1 1 18 18 GLN N N 18 120.610 120.610 122.978 -2.368 17913 1005 1 5 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.259 0.067 17913 1006 1 5 . 1 1 18 18 GLN CA C 18 54.774 54.774 56.498 -1.724 17913 1007 1 5 . 1 1 18 18 GLN CB C 18 30.867 30.867 30.007 0.860 17913 1008 1 5 . 1 1 19 19 ASN N N 19 114.130 114.130 118.752 -4.622 17913 1009 1 5 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.974 -0.097 17913 1010 1 5 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.313 -0.267 17913 1011 1 5 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.712 3.404 17913 1012 1 5 . 1 1 20 20 ASP N N 20 119.849 119.849 119.363 0.486 17913 1013 1 5 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.476 -0.067 17913 1014 1 5 . 1 1 20 20 ASP CA C 20 56.761 56.761 56.307 0.454 17913 1015 1 5 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.706 -0.280 17913 1016 1 5 . 1 1 21 21 ASP N N 21 116.249 116.249 115.315 0.934 17913 1017 1 5 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.607 0.109 17913 1018 1 5 . 1 1 21 21 ASP CA C 21 52.903 52.903 53.584 -0.681 17913 1019 1 5 . 1 1 21 21 ASP CB C 21 39.519 39.519 40.429 -0.910 17913 1020 1 5 . 1 1 22 22 GLU N N 22 119.836 119.836 119.681 0.155 17913 1021 1 5 . 1 1 22 22 GLU HA H 22 5.306 5.306 4.662 0.644 17913 1022 1 5 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.910 -1.068 17913 1023 1 5 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.367 0.446 17913 1024 1 5 . 1 1 23 23 LEU N N 23 124.087 124.087 120.787 3.300 17913 1025 1 5 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.552 -0.201 17913 1026 1 5 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.569 -0.372 17913 1027 1 5 . 1 1 23 23 LEU CB C 23 45.612 45.612 45.001 0.611 17913 1028 1 5 . 1 1 24 24 GLU N N 24 122.201 122.201 124.980 -2.779 17913 1029 1 5 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.548 0.016 17913 1030 1 5 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.173 0.025 17913 1031 1 5 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.409 -0.574 17913 1032 1 5 . 1 1 25 25 LEU N N 25 125.205 125.205 127.785 -2.580 17913 1033 1 5 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.695 -0.084 17913 1034 1 5 . 1 1 25 25 LEU CA C 25 53.546 53.546 52.910 0.636 17913 1035 1 5 . 1 1 25 25 LEU CB C 25 45.114 45.114 45.214 -0.100 17913 1036 1 5 . 1 1 26 26 ARG N N 26 124.847 124.847 125.032 -0.185 17913 1037 1 5 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.573 0.152 17913 1038 1 5 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.837 0.359 17913 1039 1 5 . 1 1 26 26 ARG CB C 26 32.565 32.565 32.619 -0.054 17913 1040 1 5 . 1 1 27 27 ASP N N 27 121.325 121.325 121.168 0.157 17913 1041 1 5 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.364 -0.935 17913 1042 1 5 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.356 0.694 17913 1043 1 5 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.315 -0.101 17913 1044 1 5 . 1 1 28 28 GLY N N 28 113.421 113.421 112.529 0.892 17913 1045 1 5 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.774 -0.885 17913 1046 1 5 . 1 1 29 29 ASP N N 29 122.317 122.317 119.786 2.531 17913 1047 1 5 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.780 -0.324 17913 1048 1 5 . 1 1 29 29 ASP CA C 29 55.528 55.528 52.674 2.854 17913 1049 1 5 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.292 -1.734 17913 1050 1 5 . 1 1 30 30 ILE N N 30 121.394 121.394 122.579 -1.185 17913 1051 1 5 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.357 -0.356 17913 1052 1 5 . 1 1 30 30 ILE CA C 30 59.890 59.890 60.191 -0.301 17913 1053 1 5 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.534 -1.314 17913 1054 1 5 . 1 1 31 31 VAL N N 31 124.770 124.770 128.236 -3.466 17913 1055 1 5 . 1 1 31 31 VAL HA H 31 4.874 4.874 5.016 -0.142 17913 1056 1 5 . 1 1 31 31 VAL CA C 31 58.941 58.941 59.473 -0.532 17913 1057 1 5 . 1 1 31 31 VAL CB C 31 35.084 35.084 37.015 -1.931 17913 1058 1 5 . 1 1 32 32 ASP N N 32 124.983 124.983 128.245 -3.262 17913 1059 1 5 . 1 1 32 32 ASP HA H 32 5.369 5.369 5.321 0.048 17913 1060 1 5 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.419 0.599 17913 1061 1 5 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.728 -2.403 17913 1062 1 5 . 1 1 33 33 VAL N N 33 127.010 127.010 123.763 3.247 17913 1063 1 5 . 1 1 33 33 VAL HA H 33 4.155 4.155 5.186 -1.031 17913 1064 1 5 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.315 2.913 17913 1065 1 5 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.197 1.065 17913 1066 1 5 . 1 1 34 34 MET N N 34 126.236 126.236 127.651 -1.415 17913 1067 1 5 . 1 1 34 34 MET HA H 34 4.646 4.646 4.506 0.140 17913 1068 1 5 . 1 1 34 34 MET CA C 34 56.039 56.039 56.420 -0.382 17913 1069 1 5 . 1 1 34 34 MET CB C 34 35.364 35.364 33.278 2.086 17913 1070 1 5 . 1 1 35 35 GLU N N 35 118.007 118.007 118.314 -0.307 17913 1071 1 5 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.611 -0.137 17913 1072 1 5 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.518 0.038 17913 1073 1 5 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.447 0.023 17913 1074 1 5 . 1 1 36 36 LYS N N 36 124.151 124.151 125.169 -1.018 17913 1075 1 5 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.914 -0.553 17913 1076 1 5 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.518 0.059 17913 1077 1 5 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.846 -0.865 17913 1078 1 5 . 1 1 37 37 CYS N N 37 122.385 122.385 123.799 -1.414 17913 1079 1 5 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.551 0.041 17913 1080 1 5 . 1 1 37 37 CYS CA C 37 58.377 58.377 59.017 -0.640 17913 1081 1 5 . 1 1 37 37 CYS CB C 37 29.217 29.217 29.952 -0.735 17913 1082 1 5 . 1 1 38 38 ASP N N 38 123.591 123.591 125.127 -1.536 17913 1083 1 5 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.535 -0.180 17913 1084 1 5 . 1 1 38 38 ASP CA C 38 56.755 56.755 55.677 1.078 17913 1085 1 5 . 1 1 38 38 ASP CB C 38 40.300 40.300 41.309 -1.009 17913 1086 1 5 . 1 1 39 39 ASP N N 39 117.190 117.190 116.615 0.575 17913 1087 1 5 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.620 -0.148 17913 1088 1 5 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.629 -1.413 17913 1089 1 5 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.414 -0.284 17913 1090 1 5 . 1 1 40 40 GLY N N 40 105.575 105.575 110.104 -4.529 17913 1091 1 5 . 1 1 40 40 GLY CA C 40 44.975 44.975 45.835 -0.860 17913 1092 1 5 . 1 1 41 41 TRP N N 41 123.669 123.669 119.726 3.943 17913 1093 1 5 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.601 -0.544 17913 1094 1 5 . 1 1 41 41 TRP CA C 41 58.452 58.452 54.173 4.279 17913 1095 1 5 . 1 1 41 41 TRP CB C 41 27.230 27.230 30.291 -3.061 17913 1096 1 5 . 1 1 42 42 PHE N N 42 120.474 120.474 115.761 4.713 17913 1097 1 5 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.498 -0.156 17913 1098 1 5 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.453 -4.005 17913 1099 1 5 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.442 -0.812 17913 1100 1 5 . 1 1 43 43 VAL N N 43 121.847 121.847 120.224 1.623 17913 1101 1 5 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.115 0.507 17913 1102 1 5 . 1 1 43 43 VAL CA C 43 61.175 61.175 62.135 -0.960 17913 1103 1 5 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.669 1.849 17913 1104 1 5 . 1 1 44 44 GLY N N 44 113.784 113.784 109.762 4.022 17913 1105 1 5 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.494 2.394 17913 1106 1 5 . 1 1 45 45 THR N N 45 112.652 112.652 117.252 -4.600 17913 1107 1 5 . 1 1 45 45 THR HA H 45 5.506 5.506 5.216 0.290 17913 1108 1 5 . 1 1 45 45 THR CA C 45 60.396 60.396 61.411 -1.015 17913 1109 1 5 . 1 1 45 45 THR CB C 45 71.151 71.151 71.111 0.040 17913 1110 1 5 . 1 1 46 46 SER N N 46 119.945 119.945 120.200 -0.255 17913 1111 1 5 . 1 1 46 46 SER HA H 46 4.496 4.496 4.954 -0.458 17913 1112 1 5 . 1 1 46 46 SER CA C 46 57.007 57.007 56.382 0.625 17913 1113 1 5 . 1 1 46 46 SER CB C 46 63.816 63.816 64.692 -0.876 17913 1114 1 5 . 1 1 47 47 ARG N N 47 128.825 128.825 127.303 1.522 17913 1115 1 5 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.167 0.050 17913 1116 1 5 . 1 1 47 47 ARG CA C 47 59.482 59.482 57.614 1.869 17913 1117 1 5 . 1 1 47 47 ARG CB C 47 29.995 29.995 29.813 0.182 17913 1118 1 5 . 1 1 48 48 ARG N N 48 118.813 118.813 118.941 -0.128 17913 1119 1 5 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.150 0.066 17913 1120 1 5 . 1 1 48 48 ARG CA C 48 59.206 59.206 59.687 -0.481 17913 1121 1 5 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.441 0.537 17913 1122 1 5 . 1 1 49 49 THR N N 49 105.015 105.015 108.803 -3.788 17913 1123 1 5 . 1 1 49 49 THR HA H 49 4.320 4.320 4.347 -0.027 17913 1124 1 5 . 1 1 49 49 THR CA C 49 61.456 61.456 61.131 0.325 17913 1125 1 5 . 1 1 49 49 THR CB C 49 70.527 70.527 68.938 1.589 17913 1126 1 5 . 1 1 50 50 LYS N N 50 115.674 115.674 119.002 -3.328 17913 1127 1 5 . 1 1 50 50 LYS HA H 50 4.045 4.045 3.994 0.051 17913 1128 1 5 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.392 0.466 17913 1129 1 5 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.027 0.013 17913 1130 1 5 . 1 1 51 51 GLN N N 51 118.027 118.027 115.483 2.544 17913 1131 1 5 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.169 0.233 17913 1132 1 5 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.333 1.244 17913 1133 1 5 . 1 1 51 51 GLN CB C 51 29.802 29.802 30.750 -0.948 17913 1134 1 5 . 1 1 52 52 PHE N N 52 122.149 122.149 118.695 3.454 17913 1135 1 5 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.397 0.180 17913 1136 1 5 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.623 -1.109 17913 1137 1 5 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.118 2.801 17913 1138 1 5 . 1 1 53 53 GLY N N 53 113.270 113.270 111.721 1.549 17913 1139 1 5 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.040 1.514 17913 1140 1 5 . 1 1 54 54 THR N N 54 113.615 113.615 116.870 -3.255 17913 1141 1 5 . 1 1 54 54 THR HA H 54 6.034 6.034 4.798 1.236 17913 1142 1 5 . 1 1 54 54 THR CA C 54 57.841 57.841 60.602 -2.761 17913 1143 1 5 . 1 1 54 54 THR CB C 54 71.605 71.605 70.190 1.415 17913 1144 1 5 . 1 1 55 55 PHE N N 55 123.708 123.708 121.289 2.419 17913 1145 1 5 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.700 0.150 17913 1146 1 5 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.395 -0.343 17913 1147 1 5 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.372 -1.154 17913 1148 1 5 . 1 1 56 56 PRO HA H 56 2.269 2.269 4.335 -2.066 17913 1149 1 5 . 1 1 56 56 PRO CA C 56 61.844 61.844 63.277 -1.433 17913 1150 1 5 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.719 -0.674 17913 1151 1 5 . 1 1 57 57 GLY N N 57 112.583 112.583 109.971 2.612 17913 1152 1 5 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.338 -0.742 17913 1153 1 5 . 1 1 58 58 ASN N N 58 112.820 112.820 117.354 -4.534 17913 1154 1 5 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.755 -0.132 17913 1155 1 5 . 1 1 58 58 ASN CA C 58 52.873 52.873 53.630 -0.757 17913 1156 1 5 . 1 1 58 58 ASN CB C 58 35.033 35.033 38.132 -3.099 17913 1157 1 5 . 1 1 59 59 TYR N N 59 119.700 119.700 119.367 0.333 17913 1158 1 5 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.721 -0.065 17913 1159 1 5 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.590 0.607 17913 1160 1 5 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.519 -3.018 17913 1161 1 5 . 1 1 60 60 VAL N N 60 108.984 108.984 118.522 -9.538 17913 1162 1 5 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.230 1.224 17913 1163 1 5 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.825 -1.634 17913 1164 1 5 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.619 2.063 17913 1165 1 5 . 1 1 61 61 LYS N N 61 118.836 118.836 123.426 -4.590 17913 1166 1 5 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.020 0.227 17913 1167 1 5 . 1 1 61 61 LYS CA C 61 52.652 52.652 53.014 -0.362 17913 1168 1 5 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.317 1.427 17913 1169 1 5 . 1 1 62 62 PRO HA H 62 3.516 3.516 4.139 -0.623 17913 1170 1 5 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.961 -0.031 17913 1171 1 5 . 1 1 62 62 PRO CB C 62 31.833 31.833 31.839 -0.006 17913 1172 1 5 . 1 1 63 63 LEU N N 63 122.539 122.539 124.371 -1.832 17913 1173 1 5 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.175 0.019 17913 1174 1 5 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.748 -1.059 17913 1175 1 5 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.932 0.836 17913 1176 1 6 . 1 1 2 2 THR N N 2 115.123 115.123 116.365 -1.242 17913 1177 1 6 . 1 1 2 2 THR HA H 2 4.359 4.359 4.465 -0.106 17913 1178 1 6 . 1 1 2 2 THR CA C 2 61.918 61.918 63.291 -1.373 17913 1179 1 6 . 1 1 2 2 THR CB C 2 70.007 70.007 69.264 0.743 17913 1180 1 6 . 1 1 3 3 SER N N 3 117.860 117.860 116.716 1.144 17913 1181 1 6 . 1 1 3 3 SER HA H 3 4.393 4.393 4.481 -0.088 17913 1182 1 6 . 1 1 3 3 SER CA C 3 58.538 58.538 58.084 0.454 17913 1183 1 6 . 1 1 3 3 SER CB C 3 63.865 63.865 63.784 0.081 17913 1184 1 6 . 1 1 4 4 GLN N N 4 121.904 121.904 122.385 -0.481 17913 1185 1 6 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.031 0.256 17913 1186 1 6 . 1 1 4 4 GLN CA C 4 55.929 55.929 55.921 0.008 17913 1187 1 6 . 1 1 4 4 GLN CB C 4 29.431 29.431 27.993 1.438 17913 1188 1 6 . 1 1 5 5 ASP N N 5 121.274 121.274 119.274 2.000 17913 1189 1 6 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.223 0.292 17913 1190 1 6 . 1 1 5 5 ASP CA C 5 54.622 54.622 54.951 -0.329 17913 1191 1 6 . 1 1 5 5 ASP CB C 5 41.180 41.180 40.451 0.729 17913 1192 1 6 . 1 1 6 6 LEU N N 6 121.060 121.060 119.666 1.394 17913 1193 1 6 . 1 1 6 6 LEU HA H 6 4.256 4.256 3.803 0.453 17913 1194 1 6 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.987 0.070 17913 1195 1 6 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.384 0.326 17913 1196 1 6 . 1 1 7 7 PHE N N 7 119.312 119.312 116.740 2.572 17913 1197 1 6 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.673 0.179 17913 1198 1 6 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.802 0.162 17913 1199 1 6 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.500 -0.003 17913 1200 1 6 . 1 1 8 8 SER N N 8 117.645 117.645 114.748 2.897 17913 1201 1 6 . 1 1 8 8 SER HA H 8 5.341 5.341 5.471 -0.130 17913 1202 1 6 . 1 1 8 8 SER CA C 8 58.530 58.530 57.895 0.635 17913 1203 1 6 . 1 1 8 8 SER CB C 8 64.615 64.615 64.480 0.135 17913 1204 1 6 . 1 1 9 9 TYR N N 9 123.973 123.973 121.358 2.615 17913 1205 1 6 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.789 0.282 17913 1206 1 6 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.179 -0.556 17913 1207 1 6 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.298 0.418 17913 1208 1 6 . 1 1 10 10 GLN N N 10 119.777 119.777 120.923 -1.146 17913 1209 1 6 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.635 -0.186 17913 1210 1 6 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.266 -0.059 17913 1211 1 6 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.962 -0.127 17913 1212 1 6 . 1 1 11 11 ALA N N 11 128.040 128.040 128.135 -0.095 17913 1213 1 6 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.483 0.191 17913 1214 1 6 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.189 1.609 17913 1215 1 6 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.985 -0.925 17913 1216 1 6 . 1 1 12 12 LEU N N 12 126.475 126.475 123.753 2.722 17913 1217 1 6 . 1 1 12 12 LEU HA H 12 3.959 3.959 3.889 0.070 17913 1218 1 6 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.305 -2.173 17913 1219 1 6 . 1 1 12 12 LEU CB C 12 43.791 43.791 41.798 1.993 17913 1220 1 6 . 1 1 13 13 TYR N N 13 112.484 112.484 113.713 -1.229 17913 1221 1 6 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.687 0.066 17913 1222 1 6 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.323 -1.731 17913 1223 1 6 . 1 1 13 13 TYR CB C 13 42.569 42.569 41.603 0.966 17913 1224 1 6 . 1 1 14 14 SER N N 14 113.568 113.568 117.150 -3.582 17913 1225 1 6 . 1 1 14 14 SER HA H 14 4.397 4.397 4.751 -0.354 17913 1226 1 6 . 1 1 14 14 SER CA C 14 58.401 58.401 58.667 -0.266 17913 1227 1 6 . 1 1 14 14 SER CB C 14 64.028 64.028 63.823 0.205 17913 1228 1 6 . 1 1 15 15 TYR N N 15 122.458 122.458 127.457 -4.999 17913 1229 1 6 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.719 -0.025 17913 1230 1 6 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.483 1.643 17913 1231 1 6 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.232 0.852 17913 1232 1 6 . 1 1 16 16 ILE N N 16 129.002 129.002 127.620 1.382 17913 1233 1 6 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.350 -0.017 17913 1234 1 6 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.343 0.017 17913 1235 1 6 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.520 0.478 17913 1236 1 6 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.618 -0.243 17913 1237 1 6 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.882 0.732 17913 1238 1 6 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.129 1.887 17913 1239 1 6 . 1 1 18 18 GLN N N 18 120.610 120.610 123.623 -3.013 17913 1240 1 6 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.080 0.246 17913 1241 1 6 . 1 1 18 18 GLN CA C 18 54.774 54.774 57.359 -2.585 17913 1242 1 6 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.526 1.341 17913 1243 1 6 . 1 1 19 19 ASN N N 19 114.130 114.130 116.230 -2.100 17913 1244 1 6 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.943 -0.066 17913 1245 1 6 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.192 -0.146 17913 1246 1 6 . 1 1 19 19 ASN CB C 19 44.116 44.116 39.875 4.241 17913 1247 1 6 . 1 1 20 20 ASP N N 20 119.849 119.849 119.053 0.796 17913 1248 1 6 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.518 -0.109 17913 1249 1 6 . 1 1 20 20 ASP CA C 20 56.761 56.761 55.909 0.852 17913 1250 1 6 . 1 1 20 20 ASP CB C 20 40.427 40.427 41.089 -0.662 17913 1251 1 6 . 1 1 21 21 ASP N N 21 116.249 116.249 117.993 -1.744 17913 1252 1 6 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.650 0.066 17913 1253 1 6 . 1 1 21 21 ASP CA C 21 52.903 52.903 55.196 -2.293 17913 1254 1 6 . 1 1 21 21 ASP CB C 21 39.519 39.519 40.870 -1.351 17913 1255 1 6 . 1 1 22 22 GLU N N 22 119.836 119.836 118.554 1.282 17913 1256 1 6 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.296 0.010 17913 1257 1 6 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.715 -0.873 17913 1258 1 6 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.284 0.529 17913 1259 1 6 . 1 1 23 23 LEU N N 23 124.087 124.087 121.255 2.832 17913 1260 1 6 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.704 -0.353 17913 1261 1 6 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.533 -0.336 17913 1262 1 6 . 1 1 23 23 LEU CB C 23 45.612 45.612 45.263 0.349 17913 1263 1 6 . 1 1 24 24 GLU N N 24 122.201 122.201 124.689 -2.488 17913 1264 1 6 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.322 0.242 17913 1265 1 6 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.553 -0.355 17913 1266 1 6 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.097 -0.262 17913 1267 1 6 . 1 1 25 25 LEU N N 25 125.205 125.205 127.364 -2.159 17913 1268 1 6 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.728 -0.117 17913 1269 1 6 . 1 1 25 25 LEU CA C 25 53.546 53.546 53.059 0.487 17913 1270 1 6 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.622 0.492 17913 1271 1 6 . 1 1 26 26 ARG N N 26 124.847 124.847 123.868 0.979 17913 1272 1 6 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.642 0.083 17913 1273 1 6 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.616 0.580 17913 1274 1 6 . 1 1 26 26 ARG CB C 26 32.565 32.565 34.053 -1.488 17913 1275 1 6 . 1 1 27 27 ASP N N 27 121.325 121.325 119.637 1.688 17913 1276 1 6 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.298 -0.869 17913 1277 1 6 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.165 0.885 17913 1278 1 6 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.917 -0.703 17913 1279 1 6 . 1 1 28 28 GLY N N 28 113.421 113.421 110.576 2.845 17913 1280 1 6 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.358 -0.468 17913 1281 1 6 . 1 1 29 29 ASP N N 29 122.317 122.317 119.010 3.307 17913 1282 1 6 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.874 -0.418 17913 1283 1 6 . 1 1 29 29 ASP CA C 29 55.528 55.528 52.974 2.554 17913 1284 1 6 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.843 -2.285 17913 1285 1 6 . 1 1 30 30 ILE N N 30 121.394 121.394 121.234 0.160 17913 1286 1 6 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.332 -0.331 17913 1287 1 6 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.791 0.098 17913 1288 1 6 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.852 -1.632 17913 1289 1 6 . 1 1 31 31 VAL N N 31 124.770 124.770 127.018 -2.248 17913 1290 1 6 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.536 0.338 17913 1291 1 6 . 1 1 31 31 VAL CA C 31 58.941 58.941 60.342 -1.401 17913 1292 1 6 . 1 1 31 31 VAL CB C 31 35.084 35.084 35.449 -0.365 17913 1293 1 6 . 1 1 32 32 ASP N N 32 124.983 124.983 130.470 -5.487 17913 1294 1 6 . 1 1 32 32 ASP HA H 32 5.369 5.369 4.946 0.423 17913 1295 1 6 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.539 0.479 17913 1296 1 6 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.254 -1.929 17913 1297 1 6 . 1 1 33 33 VAL N N 33 127.010 127.010 125.020 1.990 17913 1298 1 6 . 1 1 33 33 VAL HA H 33 4.155 4.155 5.011 -0.856 17913 1299 1 6 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.612 2.616 17913 1300 1 6 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.455 0.807 17913 1301 1 6 . 1 1 34 34 MET N N 34 126.236 126.236 127.359 -1.123 17913 1302 1 6 . 1 1 34 34 MET HA H 34 4.646 4.646 4.547 0.099 17913 1303 1 6 . 1 1 34 34 MET CA C 34 56.039 56.039 56.530 -0.491 17913 1304 1 6 . 1 1 34 34 MET CB C 34 35.364 35.364 32.882 2.482 17913 1305 1 6 . 1 1 35 35 GLU N N 35 118.007 118.007 118.487 -0.480 17913 1306 1 6 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.492 -0.018 17913 1307 1 6 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.553 0.003 17913 1308 1 6 . 1 1 35 35 GLU CB C 35 33.470 33.470 32.859 0.611 17913 1309 1 6 . 1 1 36 36 LYS N N 36 124.151 124.151 125.591 -1.440 17913 1310 1 6 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.863 -0.502 17913 1311 1 6 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.767 -0.190 17913 1312 1 6 . 1 1 36 36 LYS CB C 36 32.981 32.981 32.994 -0.013 17913 1313 1 6 . 1 1 37 37 CYS N N 37 122.385 122.385 125.897 -3.512 17913 1314 1 6 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.424 0.168 17913 1315 1 6 . 1 1 37 37 CYS CA C 37 58.377 58.377 59.695 -1.318 17913 1316 1 6 . 1 1 37 37 CYS CB C 37 29.217 29.217 28.855 0.362 17913 1317 1 6 . 1 1 38 38 ASP N N 38 123.591 123.591 125.945 -2.354 17913 1318 1 6 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.501 -0.146 17913 1319 1 6 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.742 0.013 17913 1320 1 6 . 1 1 38 38 ASP CB C 38 40.300 40.300 40.743 -0.443 17913 1321 1 6 . 1 1 39 39 ASP N N 39 117.190 117.190 117.662 -0.472 17913 1322 1 6 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.637 -0.165 17913 1323 1 6 . 1 1 39 39 ASP CA C 39 53.216 53.216 53.309 -0.093 17913 1324 1 6 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.946 -0.816 17913 1325 1 6 . 1 1 40 40 GLY N N 40 105.575 105.575 106.628 -1.053 17913 1326 1 6 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.780 0.195 17913 1327 1 6 . 1 1 41 41 TRP N N 41 123.669 123.669 120.218 3.451 17913 1328 1 6 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.590 -0.533 17913 1329 1 6 . 1 1 41 41 TRP CA C 41 58.452 58.452 55.255 3.197 17913 1330 1 6 . 1 1 41 41 TRP CB C 41 27.230 27.230 30.439 -3.209 17913 1331 1 6 . 1 1 42 42 PHE N N 42 120.474 120.474 118.149 2.325 17913 1332 1 6 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.476 -0.134 17913 1333 1 6 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.464 -4.016 17913 1334 1 6 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.267 -0.637 17913 1335 1 6 . 1 1 43 43 VAL N N 43 121.847 121.847 120.552 1.295 17913 1336 1 6 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.199 0.424 17913 1337 1 6 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.906 -0.731 17913 1338 1 6 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.655 1.863 17913 1339 1 6 . 1 1 44 44 GLY N N 44 113.784 113.784 109.858 3.926 17913 1340 1 6 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.533 2.355 17913 1341 1 6 . 1 1 45 45 THR N N 45 112.652 112.652 117.687 -5.035 17913 1342 1 6 . 1 1 45 45 THR HA H 45 5.506 5.506 5.067 0.439 17913 1343 1 6 . 1 1 45 45 THR CA C 45 60.396 60.396 61.485 -1.089 17913 1344 1 6 . 1 1 45 45 THR CB C 45 71.151 71.151 70.677 0.474 17913 1345 1 6 . 1 1 46 46 SER N N 46 119.945 119.945 120.877 -0.932 17913 1346 1 6 . 1 1 46 46 SER HA H 46 4.496 4.496 4.465 0.031 17913 1347 1 6 . 1 1 46 46 SER CA C 46 57.007 57.007 57.788 -0.781 17913 1348 1 6 . 1 1 46 46 SER CB C 46 63.816 63.816 64.041 -0.225 17913 1349 1 6 . 1 1 47 47 ARG N N 47 128.825 128.825 128.473 0.352 17913 1350 1 6 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.305 -0.088 17913 1351 1 6 . 1 1 47 47 ARG CA C 47 59.482 59.482 56.171 3.311 17913 1352 1 6 . 1 1 47 47 ARG CB C 47 29.995 29.995 29.639 0.356 17913 1353 1 6 . 1 1 48 48 ARG N N 48 118.813 118.813 118.160 0.653 17913 1354 1 6 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.441 -0.225 17913 1355 1 6 . 1 1 48 48 ARG CA C 48 59.206 59.206 58.056 1.150 17913 1356 1 6 . 1 1 48 48 ARG CB C 48 30.978 30.978 31.123 -0.145 17913 1357 1 6 . 1 1 49 49 THR N N 49 105.015 105.015 112.185 -7.170 17913 1358 1 6 . 1 1 49 49 THR HA H 49 4.320 4.320 4.391 -0.071 17913 1359 1 6 . 1 1 49 49 THR CA C 49 61.456 61.456 61.176 0.280 17913 1360 1 6 . 1 1 49 49 THR CB C 49 70.527 70.527 69.376 1.151 17913 1361 1 6 . 1 1 50 50 LYS N N 50 115.674 115.674 118.378 -2.704 17913 1362 1 6 . 1 1 50 50 LYS HA H 50 4.045 4.045 3.909 0.136 17913 1363 1 6 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.490 0.368 17913 1364 1 6 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.194 -0.153 17913 1365 1 6 . 1 1 51 51 GLN N N 51 118.027 118.027 116.721 1.306 17913 1366 1 6 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.463 -0.061 17913 1367 1 6 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.016 1.561 17913 1368 1 6 . 1 1 51 51 GLN CB C 51 29.802 29.802 31.960 -2.158 17913 1369 1 6 . 1 1 52 52 PHE N N 52 122.149 122.149 119.185 2.964 17913 1370 1 6 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.465 0.112 17913 1371 1 6 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.884 -1.369 17913 1372 1 6 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.712 2.207 17913 1373 1 6 . 1 1 53 53 GLY N N 53 113.270 113.270 112.377 0.893 17913 1374 1 6 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.188 1.366 17913 1375 1 6 . 1 1 54 54 THR N N 54 113.615 113.615 117.454 -3.839 17913 1376 1 6 . 1 1 54 54 THR HA H 54 6.034 6.034 5.153 0.881 17913 1377 1 6 . 1 1 54 54 THR CA C 54 57.841 57.841 60.775 -2.934 17913 1378 1 6 . 1 1 54 54 THR CB C 54 71.605 71.605 70.265 1.340 17913 1379 1 6 . 1 1 55 55 PHE N N 55 123.708 123.708 121.805 1.903 17913 1380 1 6 . 1 1 55 55 PHE HA H 55 4.850 4.850 5.246 -0.396 17913 1381 1 6 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.320 -0.268 17913 1382 1 6 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.552 -1.334 17913 1383 1 6 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.614 -1.345 17913 1384 1 6 . 1 1 56 56 PRO CA C 56 61.844 61.844 62.444 -0.600 17913 1385 1 6 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.101 -0.056 17913 1386 1 6 . 1 1 57 57 GLY N N 57 112.583 112.583 109.973 2.610 17913 1387 1 6 . 1 1 57 57 GLY CA C 57 44.596 44.596 44.857 -0.261 17913 1388 1 6 . 1 1 58 58 ASN N N 58 112.820 112.820 115.088 -2.268 17913 1389 1 6 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.578 0.045 17913 1390 1 6 . 1 1 58 58 ASN CA C 58 52.873 52.873 52.225 0.648 17913 1391 1 6 . 1 1 58 58 ASN CB C 58 35.033 35.033 37.557 -2.524 17913 1392 1 6 . 1 1 59 59 TYR N N 59 119.700 119.700 120.703 -1.003 17913 1393 1 6 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.595 0.061 17913 1394 1 6 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.916 0.281 17913 1395 1 6 . 1 1 59 59 TYR CB C 59 37.501 37.501 39.951 -2.450 17913 1396 1 6 . 1 1 60 60 VAL N N 60 108.984 108.984 118.632 -9.648 17913 1397 1 6 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.078 1.376 17913 1398 1 6 . 1 1 60 60 VAL CA C 60 58.191 58.191 60.017 -1.827 17913 1399 1 6 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.550 2.132 17913 1400 1 6 . 1 1 61 61 LYS N N 61 118.836 118.836 124.259 -5.423 17913 1401 1 6 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.018 0.229 17913 1402 1 6 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.945 -0.293 17913 1403 1 6 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.747 0.997 17913 1404 1 6 . 1 1 62 62 PRO HA H 62 3.516 3.516 3.688 -0.172 17913 1405 1 6 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.775 0.155 17913 1406 1 6 . 1 1 62 62 PRO CB C 62 31.833 31.833 31.838 -0.005 17913 1407 1 6 . 1 1 63 63 LEU N N 63 122.539 122.539 123.250 -0.711 17913 1408 1 6 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.089 0.105 17913 1409 1 6 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.290 -0.601 17913 1410 1 6 . 1 1 63 63 LEU CB C 63 42.768 42.768 42.228 0.540 17913 1411 1 7 . 1 1 2 2 THR N N 2 115.123 115.123 113.150 1.973 17913 1412 1 7 . 1 1 2 2 THR HA H 2 4.359 4.359 4.556 -0.197 17913 1413 1 7 . 1 1 2 2 THR CA C 2 61.918 61.918 61.561 0.357 17913 1414 1 7 . 1 1 2 2 THR CB C 2 70.007 70.007 69.429 0.578 17913 1415 1 7 . 1 1 3 3 SER N N 3 117.860 117.860 120.579 -2.719 17913 1416 1 7 . 1 1 3 3 SER HA H 3 4.393 4.393 4.222 0.171 17913 1417 1 7 . 1 1 3 3 SER CA C 3 58.538 58.538 60.253 -1.715 17913 1418 1 7 . 1 1 3 3 SER CB C 3 63.865 63.865 63.458 0.407 17913 1419 1 7 . 1 1 4 4 GLN N N 4 121.904 121.904 121.639 0.265 17913 1420 1 7 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.319 -0.032 17913 1421 1 7 . 1 1 4 4 GLN CA C 4 55.929 55.929 55.395 0.534 17913 1422 1 7 . 1 1 4 4 GLN CB C 4 29.431 29.431 29.572 -0.141 17913 1423 1 7 . 1 1 5 5 ASP N N 5 121.274 121.274 122.281 -1.007 17913 1424 1 7 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.498 0.017 17913 1425 1 7 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.921 0.701 17913 1426 1 7 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.469 -0.289 17913 1427 1 7 . 1 1 6 6 LEU N N 6 121.060 121.060 122.695 -1.635 17913 1428 1 7 . 1 1 6 6 LEU HA H 6 4.256 4.256 4.168 0.088 17913 1429 1 7 . 1 1 6 6 LEU CA C 6 55.057 55.057 53.754 1.303 17913 1430 1 7 . 1 1 6 6 LEU CB C 6 42.710 42.710 43.218 -0.508 17913 1431 1 7 . 1 1 7 7 PHE N N 7 119.312 119.312 115.874 3.438 17913 1432 1 7 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.708 0.144 17913 1433 1 7 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.705 0.259 17913 1434 1 7 . 1 1 7 7 PHE CB C 7 40.497 40.497 41.110 -0.613 17913 1435 1 7 . 1 1 8 8 SER N N 8 117.645 117.645 114.459 3.186 17913 1436 1 7 . 1 1 8 8 SER HA H 8 5.341 5.341 5.468 -0.127 17913 1437 1 7 . 1 1 8 8 SER CA C 8 58.530 58.530 57.253 1.277 17913 1438 1 7 . 1 1 8 8 SER CB C 8 64.615 64.615 65.644 -1.029 17913 1439 1 7 . 1 1 9 9 TYR N N 9 123.973 123.973 121.012 2.961 17913 1440 1 7 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.852 0.219 17913 1441 1 7 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.407 -0.784 17913 1442 1 7 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.236 0.480 17913 1443 1 7 . 1 1 10 10 GLN N N 10 119.777 119.777 120.935 -1.158 17913 1444 1 7 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.567 -0.118 17913 1445 1 7 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.416 -0.210 17913 1446 1 7 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.865 -0.031 17913 1447 1 7 . 1 1 11 11 ALA N N 11 128.040 128.040 128.348 -0.308 17913 1448 1 7 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.516 0.158 17913 1449 1 7 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.104 1.694 17913 1450 1 7 . 1 1 11 11 ALA CB C 11 19.060 19.060 20.069 -1.009 17913 1451 1 7 . 1 1 12 12 LEU N N 12 126.475 126.475 124.303 2.172 17913 1452 1 7 . 1 1 12 12 LEU HA H 12 3.959 3.959 3.941 0.018 17913 1453 1 7 . 1 1 12 12 LEU CA C 12 55.132 55.132 56.898 -1.766 17913 1454 1 7 . 1 1 12 12 LEU CB C 12 43.791 43.791 41.983 1.808 17913 1455 1 7 . 1 1 13 13 TYR N N 13 112.484 112.484 114.241 -1.757 17913 1456 1 7 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.732 0.021 17913 1457 1 7 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.651 -2.059 17913 1458 1 7 . 1 1 13 13 TYR CB C 13 42.569 42.569 41.537 1.032 17913 1459 1 7 . 1 1 14 14 SER N N 14 113.568 113.568 116.326 -2.758 17913 1460 1 7 . 1 1 14 14 SER HA H 14 4.397 4.397 4.786 -0.389 17913 1461 1 7 . 1 1 14 14 SER CA C 14 58.401 58.401 58.881 -0.480 17913 1462 1 7 . 1 1 14 14 SER CB C 14 64.028 64.028 63.710 0.318 17913 1463 1 7 . 1 1 15 15 TYR N N 15 122.458 122.458 125.446 -2.988 17913 1464 1 7 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.736 -0.042 17913 1465 1 7 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.602 1.525 17913 1466 1 7 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.903 0.181 17913 1467 1 7 . 1 1 16 16 ILE N N 16 129.002 129.002 127.308 1.694 17913 1468 1 7 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.357 -0.024 17913 1469 1 7 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.419 -0.059 17913 1470 1 7 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.574 0.424 17913 1471 1 7 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.572 -0.197 17913 1472 1 7 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.914 0.700 17913 1473 1 7 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.184 1.832 17913 1474 1 7 . 1 1 18 18 GLN N N 18 120.610 120.610 123.583 -2.973 17913 1475 1 7 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.113 0.213 17913 1476 1 7 . 1 1 18 18 GLN CA C 18 54.774 54.774 57.079 -2.305 17913 1477 1 7 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.579 1.288 17913 1478 1 7 . 1 1 19 19 ASN N N 19 114.130 114.130 116.491 -2.361 17913 1479 1 7 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.960 -0.083 17913 1480 1 7 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.317 -0.271 17913 1481 1 7 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.696 3.420 17913 1482 1 7 . 1 1 20 20 ASP N N 20 119.849 119.849 120.430 -0.581 17913 1483 1 7 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.554 -0.145 17913 1484 1 7 . 1 1 20 20 ASP CA C 20 56.761 56.761 56.850 -0.089 17913 1485 1 7 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.802 -0.375 17913 1486 1 7 . 1 1 21 21 ASP N N 21 116.249 116.249 117.585 -1.336 17913 1487 1 7 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.711 0.005 17913 1488 1 7 . 1 1 21 21 ASP CA C 21 52.903 52.903 55.333 -2.430 17913 1489 1 7 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.149 -1.630 17913 1490 1 7 . 1 1 22 22 GLU N N 22 119.836 119.836 118.779 1.057 17913 1491 1 7 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.256 0.050 17913 1492 1 7 . 1 1 22 22 GLU CA C 22 54.842 54.842 56.028 -1.186 17913 1493 1 7 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.460 0.352 17913 1494 1 7 . 1 1 23 23 LEU N N 23 124.087 124.087 120.697 3.390 17913 1495 1 7 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.702 -0.351 17913 1496 1 7 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.239 -0.042 17913 1497 1 7 . 1 1 23 23 LEU CB C 23 45.612 45.612 45.673 -0.061 17913 1498 1 7 . 1 1 24 24 GLU N N 24 122.201 122.201 123.378 -1.177 17913 1499 1 7 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.307 0.257 17913 1500 1 7 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.630 -0.432 17913 1501 1 7 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.563 -0.728 17913 1502 1 7 . 1 1 25 25 LEU N N 25 125.205 125.205 126.257 -1.052 17913 1503 1 7 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.668 -0.057 17913 1504 1 7 . 1 1 25 25 LEU CA C 25 53.546 53.546 53.096 0.450 17913 1505 1 7 . 1 1 25 25 LEU CB C 25 45.114 45.114 45.383 -0.269 17913 1506 1 7 . 1 1 26 26 ARG N N 26 124.847 124.847 125.891 -1.044 17913 1507 1 7 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.847 -0.122 17913 1508 1 7 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.376 0.820 17913 1509 1 7 . 1 1 26 26 ARG CB C 26 32.565 32.565 33.578 -1.013 17913 1510 1 7 . 1 1 27 27 ASP N N 27 121.325 121.325 122.659 -1.334 17913 1511 1 7 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.240 -0.811 17913 1512 1 7 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.157 0.893 17913 1513 1 7 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.765 -0.551 17913 1514 1 7 . 1 1 28 28 GLY N N 28 113.421 113.421 111.368 2.053 17913 1515 1 7 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.189 -0.300 17913 1516 1 7 . 1 1 29 29 ASP N N 29 122.317 122.317 120.321 1.996 17913 1517 1 7 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.912 -0.456 17913 1518 1 7 . 1 1 29 29 ASP CA C 29 55.528 55.528 52.982 2.546 17913 1519 1 7 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.025 -1.467 17913 1520 1 7 . 1 1 30 30 ILE N N 30 121.394 121.394 121.109 0.285 17913 1521 1 7 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.331 -0.330 17913 1522 1 7 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.309 0.581 17913 1523 1 7 . 1 1 30 30 ILE CB C 30 38.220 38.220 40.633 -2.413 17913 1524 1 7 . 1 1 31 31 VAL N N 31 124.770 124.770 123.279 1.491 17913 1525 1 7 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.703 0.171 17913 1526 1 7 . 1 1 31 31 VAL CA C 31 58.941 58.941 60.281 -1.339 17913 1527 1 7 . 1 1 31 31 VAL CB C 31 35.084 35.084 35.625 -0.541 17913 1528 1 7 . 1 1 32 32 ASP N N 32 124.983 124.983 130.000 -5.017 17913 1529 1 7 . 1 1 32 32 ASP HA H 32 5.369 5.369 4.857 0.512 17913 1530 1 7 . 1 1 32 32 ASP CA C 32 54.018 54.018 52.285 1.733 17913 1531 1 7 . 1 1 32 32 ASP CB C 32 42.325 42.325 43.550 -1.225 17913 1532 1 7 . 1 1 33 33 VAL N N 33 127.010 127.010 126.443 0.567 17913 1533 1 7 . 1 1 33 33 VAL HA H 33 4.155 4.155 5.300 -1.145 17913 1534 1 7 . 1 1 33 33 VAL CA C 33 64.228 64.228 60.922 3.306 17913 1535 1 7 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.479 0.783 17913 1536 1 7 . 1 1 34 34 MET N N 34 126.236 126.236 127.404 -1.168 17913 1537 1 7 . 1 1 34 34 MET HA H 34 4.646 4.646 4.355 0.291 17913 1538 1 7 . 1 1 34 34 MET CA C 34 56.039 56.039 57.630 -1.591 17913 1539 1 7 . 1 1 34 34 MET CB C 34 35.364 35.364 33.204 2.160 17913 1540 1 7 . 1 1 35 35 GLU N N 35 118.007 118.007 117.335 0.672 17913 1541 1 7 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.591 -0.117 17913 1542 1 7 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.367 0.188 17913 1543 1 7 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.230 0.240 17913 1544 1 7 . 1 1 36 36 LYS N N 36 124.151 124.151 126.134 -1.983 17913 1545 1 7 . 1 1 36 36 LYS HA H 36 4.361 4.361 5.025 -0.664 17913 1546 1 7 . 1 1 36 36 LYS CA C 36 55.577 55.577 54.792 0.785 17913 1547 1 7 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.026 -0.045 17913 1548 1 7 . 1 1 37 37 CYS N N 37 122.385 122.385 124.853 -2.468 17913 1549 1 7 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.464 0.128 17913 1550 1 7 . 1 1 37 37 CYS CA C 37 58.377 58.377 60.193 -1.816 17913 1551 1 7 . 1 1 37 37 CYS CB C 37 29.217 29.217 29.474 -0.257 17913 1552 1 7 . 1 1 38 38 ASP N N 38 123.591 123.591 123.293 0.298 17913 1553 1 7 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.579 -0.224 17913 1554 1 7 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.541 0.214 17913 1555 1 7 . 1 1 38 38 ASP CB C 38 40.300 40.300 41.124 -0.824 17913 1556 1 7 . 1 1 39 39 ASP N N 39 117.190 117.190 118.211 -1.021 17913 1557 1 7 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.805 -0.333 17913 1558 1 7 . 1 1 39 39 ASP CA C 39 53.216 53.216 53.629 -0.413 17913 1559 1 7 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.756 -0.626 17913 1560 1 7 . 1 1 40 40 GLY N N 40 105.575 105.575 111.059 -5.484 17913 1561 1 7 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.768 0.207 17913 1562 1 7 . 1 1 41 41 TRP N N 41 123.669 123.669 124.005 -0.336 17913 1563 1 7 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.400 -0.343 17913 1564 1 7 . 1 1 41 41 TRP CA C 41 58.452 58.452 56.997 1.455 17913 1565 1 7 . 1 1 41 41 TRP CB C 41 27.230 27.230 29.737 -2.507 17913 1566 1 7 . 1 1 42 42 PHE N N 42 120.474 120.474 118.938 1.536 17913 1567 1 7 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.462 -0.120 17913 1568 1 7 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.536 -4.088 17913 1569 1 7 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.634 -1.004 17913 1570 1 7 . 1 1 43 43 VAL N N 43 121.847 121.847 118.842 3.005 17913 1571 1 7 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.274 0.349 17913 1572 1 7 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.669 -0.493 17913 1573 1 7 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.785 1.734 17913 1574 1 7 . 1 1 44 44 GLY N N 44 113.784 113.784 108.951 4.833 17913 1575 1 7 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.744 2.144 17913 1576 1 7 . 1 1 45 45 THR N N 45 112.652 112.652 117.322 -4.670 17913 1577 1 7 . 1 1 45 45 THR HA H 45 5.506 5.506 5.200 0.306 17913 1578 1 7 . 1 1 45 45 THR CA C 45 60.396 60.396 61.398 -1.002 17913 1579 1 7 . 1 1 45 45 THR CB C 45 71.151 71.151 71.163 -0.012 17913 1580 1 7 . 1 1 46 46 SER N N 46 119.945 119.945 119.472 0.473 17913 1581 1 7 . 1 1 46 46 SER HA H 46 4.496 4.496 4.626 -0.130 17913 1582 1 7 . 1 1 46 46 SER CA C 46 57.007 57.007 57.626 -0.619 17913 1583 1 7 . 1 1 46 46 SER CB C 46 63.816 63.816 64.073 -0.257 17913 1584 1 7 . 1 1 47 47 ARG N N 47 128.825 128.825 127.763 1.062 17913 1585 1 7 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.056 0.161 17913 1586 1 7 . 1 1 47 47 ARG CA C 47 59.482 59.482 59.207 0.275 17913 1587 1 7 . 1 1 47 47 ARG CB C 47 29.995 29.995 30.047 -0.052 17913 1588 1 7 . 1 1 48 48 ARG N N 48 118.813 118.813 117.448 1.365 17913 1589 1 7 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.344 -0.128 17913 1590 1 7 . 1 1 48 48 ARG CA C 48 59.206 59.206 58.377 0.829 17913 1591 1 7 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.408 0.570 17913 1592 1 7 . 1 1 49 49 THR N N 49 105.015 105.015 111.977 -6.962 17913 1593 1 7 . 1 1 49 49 THR HA H 49 4.320 4.320 4.280 0.040 17913 1594 1 7 . 1 1 49 49 THR CA C 49 61.456 61.456 61.697 -0.241 17913 1595 1 7 . 1 1 49 49 THR CB C 49 70.527 70.527 69.167 1.360 17913 1596 1 7 . 1 1 50 50 LYS N N 50 115.674 115.674 117.676 -2.002 17913 1597 1 7 . 1 1 50 50 LYS HA H 50 4.045 4.045 3.931 0.114 17913 1598 1 7 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.354 0.504 17913 1599 1 7 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.677 -0.637 17913 1600 1 7 . 1 1 51 51 GLN N N 51 118.027 118.027 116.608 1.419 17913 1601 1 7 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.212 0.190 17913 1602 1 7 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.756 0.821 17913 1603 1 7 . 1 1 51 51 GLN CB C 51 29.802 29.802 31.317 -1.515 17913 1604 1 7 . 1 1 52 52 PHE N N 52 122.149 122.149 119.927 2.222 17913 1605 1 7 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.449 0.128 17913 1606 1 7 . 1 1 52 52 PHE CA C 52 55.515 55.515 57.100 -1.585 17913 1607 1 7 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.154 2.765 17913 1608 1 7 . 1 1 53 53 GLY N N 53 113.270 113.270 112.566 0.704 17913 1609 1 7 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.292 1.262 17913 1610 1 7 . 1 1 54 54 THR N N 54 113.615 113.615 117.045 -3.430 17913 1611 1 7 . 1 1 54 54 THR HA H 54 6.034 6.034 5.067 0.967 17913 1612 1 7 . 1 1 54 54 THR CA C 54 57.841 57.841 61.043 -3.202 17913 1613 1 7 . 1 1 54 54 THR CB C 54 71.605 71.605 70.774 0.831 17913 1614 1 7 . 1 1 55 55 PHE N N 55 123.708 123.708 121.541 2.167 17913 1615 1 7 . 1 1 55 55 PHE HA H 55 4.850 4.850 5.088 -0.238 17913 1616 1 7 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.299 -0.247 17913 1617 1 7 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.971 -1.754 17913 1618 1 7 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.708 -1.439 17913 1619 1 7 . 1 1 56 56 PRO CA C 56 61.844 61.844 62.317 -0.473 17913 1620 1 7 . 1 1 56 56 PRO CB C 56 31.045 31.045 30.972 0.073 17913 1621 1 7 . 1 1 57 57 GLY N N 57 112.583 112.583 109.640 2.943 17913 1622 1 7 . 1 1 57 57 GLY CA C 57 44.596 44.596 44.566 0.030 17913 1623 1 7 . 1 1 58 58 ASN N N 58 112.820 112.820 116.710 -3.890 17913 1624 1 7 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.692 -0.069 17913 1625 1 7 . 1 1 58 58 ASN CA C 58 52.873 52.873 53.287 -0.414 17913 1626 1 7 . 1 1 58 58 ASN CB C 58 35.033 35.033 38.580 -3.547 17913 1627 1 7 . 1 1 59 59 TYR N N 59 119.700 119.700 119.266 0.434 17913 1628 1 7 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.573 0.083 17913 1629 1 7 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.521 0.676 17913 1630 1 7 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.169 -2.668 17913 1631 1 7 . 1 1 60 60 VAL N N 60 108.984 108.984 118.576 -9.592 17913 1632 1 7 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.148 1.306 17913 1633 1 7 . 1 1 60 60 VAL CA C 60 58.191 58.191 60.172 -1.982 17913 1634 1 7 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.422 2.260 17913 1635 1 7 . 1 1 61 61 LYS N N 61 118.836 118.836 125.302 -6.466 17913 1636 1 7 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.033 0.214 17913 1637 1 7 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.951 -0.299 17913 1638 1 7 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.791 0.953 17913 1639 1 7 . 1 1 62 62 PRO HA H 62 3.516 3.516 3.861 -0.345 17913 1640 1 7 . 1 1 62 62 PRO CA C 62 62.930 62.930 63.017 -0.087 17913 1641 1 7 . 1 1 62 62 PRO CB C 62 31.833 31.833 31.904 -0.071 17913 1642 1 7 . 1 1 63 63 LEU N N 63 122.539 122.539 123.767 -1.228 17913 1643 1 7 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.166 0.028 17913 1644 1 7 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.545 -0.856 17913 1645 1 7 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.566 1.202 17913 1646 1 8 . 1 1 2 2 THR N N 2 115.123 115.123 114.068 1.055 17913 1647 1 8 . 1 1 2 2 THR HA H 2 4.359 4.359 4.464 -0.105 17913 1648 1 8 . 1 1 2 2 THR CA C 2 61.918 61.918 61.841 0.077 17913 1649 1 8 . 1 1 2 2 THR CB C 2 70.007 70.007 68.189 1.818 17913 1650 1 8 . 1 1 3 3 SER N N 3 117.860 117.860 116.909 0.951 17913 1651 1 8 . 1 1 3 3 SER HA H 3 4.393 4.393 4.080 0.313 17913 1652 1 8 . 1 1 3 3 SER CA C 3 58.538 58.538 59.209 -0.671 17913 1653 1 8 . 1 1 3 3 SER CB C 3 63.865 63.865 63.691 0.173 17913 1654 1 8 . 1 1 4 4 GLN N N 4 121.904 121.904 121.023 0.881 17913 1655 1 8 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.009 0.278 17913 1656 1 8 . 1 1 4 4 GLN CA C 4 55.929 55.929 56.689 -0.760 17913 1657 1 8 . 1 1 4 4 GLN CB C 4 29.431 29.431 27.752 1.679 17913 1658 1 8 . 1 1 5 5 ASP N N 5 121.274 121.274 118.940 2.334 17913 1659 1 8 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.232 0.283 17913 1660 1 8 . 1 1 5 5 ASP CA C 5 54.622 54.622 55.260 -0.638 17913 1661 1 8 . 1 1 5 5 ASP CB C 5 41.180 41.180 40.608 0.572 17913 1662 1 8 . 1 1 6 6 LEU N N 6 121.060 121.060 119.290 1.770 17913 1663 1 8 . 1 1 6 6 LEU HA H 6 4.256 4.256 4.214 0.042 17913 1664 1 8 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.111 0.946 17913 1665 1 8 . 1 1 6 6 LEU CB C 6 42.710 42.710 43.328 -0.618 17913 1666 1 8 . 1 1 7 7 PHE N N 7 119.312 119.312 118.079 1.233 17913 1667 1 8 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.670 0.182 17913 1668 1 8 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.898 0.066 17913 1669 1 8 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.446 0.051 17913 1670 1 8 . 1 1 8 8 SER N N 8 117.645 117.645 114.016 3.629 17913 1671 1 8 . 1 1 8 8 SER HA H 8 5.341 5.341 5.120 0.221 17913 1672 1 8 . 1 1 8 8 SER CA C 8 58.530 58.530 57.118 1.412 17913 1673 1 8 . 1 1 8 8 SER CB C 8 64.615 64.615 65.222 -0.607 17913 1674 1 8 . 1 1 9 9 TYR N N 9 123.973 123.973 120.940 3.033 17913 1675 1 8 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.895 0.176 17913 1676 1 8 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.148 -0.525 17913 1677 1 8 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.217 0.499 17913 1678 1 8 . 1 1 10 10 GLN N N 10 119.777 119.777 121.124 -1.347 17913 1679 1 8 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.473 -0.024 17913 1680 1 8 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.420 -0.214 17913 1681 1 8 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.895 -0.061 17913 1682 1 8 . 1 1 11 11 ALA N N 11 128.040 128.040 128.460 -0.420 17913 1683 1 8 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.407 0.267 17913 1684 1 8 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.117 1.681 17913 1685 1 8 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.839 -0.779 17913 1686 1 8 . 1 1 12 12 LEU N N 12 126.475 126.475 124.996 1.479 17913 1687 1 8 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.107 -0.148 17913 1688 1 8 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.436 -2.304 17913 1689 1 8 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.119 1.672 17913 1690 1 8 . 1 1 13 13 TYR N N 13 112.484 112.484 110.397 2.087 17913 1691 1 8 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.803 -0.050 17913 1692 1 8 . 1 1 13 13 TYR CA C 13 53.592 53.592 54.743 -1.151 17913 1693 1 8 . 1 1 13 13 TYR CB C 13 42.569 42.569 39.616 2.953 17913 1694 1 8 . 1 1 14 14 SER N N 14 113.568 113.568 115.229 -1.661 17913 1695 1 8 . 1 1 14 14 SER HA H 14 4.397 4.397 4.587 -0.190 17913 1696 1 8 . 1 1 14 14 SER CA C 14 58.401 58.401 58.317 0.084 17913 1697 1 8 . 1 1 14 14 SER CB C 14 64.028 64.028 64.061 -0.033 17913 1698 1 8 . 1 1 15 15 TYR N N 15 122.458 122.458 124.594 -2.136 17913 1699 1 8 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.783 -0.089 17913 1700 1 8 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.352 1.775 17913 1701 1 8 . 1 1 15 15 TYR CB C 15 42.084 42.084 42.168 -0.084 17913 1702 1 8 . 1 1 16 16 ILE N N 16 129.002 129.002 126.359 2.643 17913 1703 1 8 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.360 -0.027 17913 1704 1 8 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.741 -0.381 17913 1705 1 8 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.626 0.372 17913 1706 1 8 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.598 -0.223 17913 1707 1 8 . 1 1 17 17 PRO CA C 17 63.614 63.614 63.014 0.600 17913 1708 1 8 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.268 1.748 17913 1709 1 8 . 1 1 18 18 GLN N N 18 120.610 120.610 122.391 -1.781 17913 1710 1 8 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.268 0.058 17913 1711 1 8 . 1 1 18 18 GLN CA C 18 54.774 54.774 56.313 -1.539 17913 1712 1 8 . 1 1 18 18 GLN CB C 18 30.867 30.867 30.020 0.847 17913 1713 1 8 . 1 1 19 19 ASN N N 19 114.130 114.130 118.331 -4.201 17913 1714 1 8 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.963 -0.086 17913 1715 1 8 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.635 -0.589 17913 1716 1 8 . 1 1 19 19 ASN CB C 19 44.116 44.116 41.125 2.991 17913 1717 1 8 . 1 1 20 20 ASP N N 20 119.849 119.849 120.002 -0.153 17913 1718 1 8 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.490 -0.081 17913 1719 1 8 . 1 1 20 20 ASP CA C 20 56.761 56.761 56.019 0.742 17913 1720 1 8 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.997 -0.570 17913 1721 1 8 . 1 1 21 21 ASP N N 21 116.249 116.249 117.391 -1.142 17913 1722 1 8 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.580 0.136 17913 1723 1 8 . 1 1 21 21 ASP CA C 21 52.903 52.903 55.700 -2.797 17913 1724 1 8 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.054 -1.535 17913 1725 1 8 . 1 1 22 22 GLU N N 22 119.836 119.836 118.434 1.402 17913 1726 1 8 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.089 0.217 17913 1727 1 8 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.862 -1.020 17913 1728 1 8 . 1 1 22 22 GLU CB C 22 31.813 31.813 30.988 0.825 17913 1729 1 8 . 1 1 23 23 LEU N N 23 124.087 124.087 122.333 1.754 17913 1730 1 8 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.633 -0.282 17913 1731 1 8 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.629 -0.432 17913 1732 1 8 . 1 1 23 23 LEU CB C 23 45.612 45.612 44.453 1.159 17913 1733 1 8 . 1 1 24 24 GLU N N 24 122.201 122.201 124.848 -2.647 17913 1734 1 8 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.290 0.274 17913 1735 1 8 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.544 -0.346 17913 1736 1 8 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.105 -0.270 17913 1737 1 8 . 1 1 25 25 LEU N N 25 125.205 125.205 128.333 -3.128 17913 1738 1 8 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.572 0.039 17913 1739 1 8 . 1 1 25 25 LEU CA C 25 53.546 53.546 53.273 0.273 17913 1740 1 8 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.177 0.937 17913 1741 1 8 . 1 1 26 26 ARG N N 26 124.847 124.847 125.784 -0.937 17913 1742 1 8 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.728 -0.003 17913 1743 1 8 . 1 1 26 26 ARG CA C 26 54.196 54.196 52.894 1.302 17913 1744 1 8 . 1 1 26 26 ARG CB C 26 32.565 32.565 32.963 -0.398 17913 1745 1 8 . 1 1 27 27 ASP N N 27 121.325 121.325 120.904 0.421 17913 1746 1 8 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.197 -0.768 17913 1747 1 8 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.178 0.872 17913 1748 1 8 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.225 -0.011 17913 1749 1 8 . 1 1 28 28 GLY N N 28 113.421 113.421 112.522 0.899 17913 1750 1 8 . 1 1 28 28 GLY CA C 28 44.889 44.889 44.900 -0.011 17913 1751 1 8 . 1 1 29 29 ASP N N 29 122.317 122.317 120.315 2.002 17913 1752 1 8 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.791 -0.335 17913 1753 1 8 . 1 1 29 29 ASP CA C 29 55.528 55.528 53.886 1.643 17913 1754 1 8 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.122 -1.564 17913 1755 1 8 . 1 1 30 30 ILE N N 30 121.394 121.394 122.076 -0.682 17913 1756 1 8 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.356 -0.355 17913 1757 1 8 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.730 0.160 17913 1758 1 8 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.887 -1.667 17913 1759 1 8 . 1 1 31 31 VAL N N 31 124.770 124.770 125.974 -1.204 17913 1760 1 8 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.552 0.322 17913 1761 1 8 . 1 1 31 31 VAL CA C 31 58.941 58.941 60.203 -1.262 17913 1762 1 8 . 1 1 31 31 VAL CB C 31 35.084 35.084 35.753 -0.669 17913 1763 1 8 . 1 1 32 32 ASP N N 32 124.983 124.983 128.507 -3.524 17913 1764 1 8 . 1 1 32 32 ASP HA H 32 5.369 5.369 4.866 0.503 17913 1765 1 8 . 1 1 32 32 ASP CA C 32 54.018 54.018 52.350 1.668 17913 1766 1 8 . 1 1 32 32 ASP CB C 32 42.325 42.325 43.754 -1.429 17913 1767 1 8 . 1 1 33 33 VAL N N 33 127.010 127.010 125.986 1.024 17913 1768 1 8 . 1 1 33 33 VAL HA H 33 4.155 4.155 5.200 -1.045 17913 1769 1 8 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.278 2.950 17913 1770 1 8 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.370 0.892 17913 1771 1 8 . 1 1 34 34 MET N N 34 126.236 126.236 127.921 -1.685 17913 1772 1 8 . 1 1 34 34 MET HA H 34 4.646 4.646 4.477 0.169 17913 1773 1 8 . 1 1 34 34 MET CA C 34 56.039 56.039 56.001 0.038 17913 1774 1 8 . 1 1 34 34 MET CB C 34 35.364 35.364 33.091 2.273 17913 1775 1 8 . 1 1 35 35 GLU N N 35 118.007 118.007 118.230 -0.223 17913 1776 1 8 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.596 -0.122 17913 1777 1 8 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.476 0.080 17913 1778 1 8 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.276 0.194 17913 1779 1 8 . 1 1 36 36 LYS N N 36 124.151 124.151 126.327 -2.176 17913 1780 1 8 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.863 -0.502 17913 1781 1 8 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.788 -0.211 17913 1782 1 8 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.733 -0.753 17913 1783 1 8 . 1 1 37 37 CYS N N 37 122.385 122.385 123.566 -1.181 17913 1784 1 8 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.611 -0.019 17913 1785 1 8 . 1 1 37 37 CYS CA C 37 58.377 58.377 57.409 0.968 17913 1786 1 8 . 1 1 37 37 CYS CB C 37 29.217 29.217 28.509 0.708 17913 1787 1 8 . 1 1 38 38 ASP N N 38 123.591 123.591 125.010 -1.419 17913 1788 1 8 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.434 -0.079 17913 1789 1 8 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.680 0.075 17913 1790 1 8 . 1 1 38 38 ASP CB C 38 40.300 40.300 40.935 -0.635 17913 1791 1 8 . 1 1 39 39 ASP N N 39 117.190 117.190 117.516 -0.326 17913 1792 1 8 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.523 -0.051 17913 1793 1 8 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.359 -1.143 17913 1794 1 8 . 1 1 39 39 ASP CB C 39 40.130 40.130 41.197 -1.067 17913 1795 1 8 . 1 1 40 40 GLY N N 40 105.575 105.575 107.454 -1.879 17913 1796 1 8 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.585 0.390 17913 1797 1 8 . 1 1 41 41 TRP N N 41 123.669 123.669 120.825 2.844 17913 1798 1 8 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.496 -0.439 17913 1799 1 8 . 1 1 41 41 TRP CA C 41 58.452 58.452 55.016 3.437 17913 1800 1 8 . 1 1 41 41 TRP CB C 41 27.230 27.230 29.736 -2.506 17913 1801 1 8 . 1 1 42 42 PHE N N 42 120.474 120.474 117.892 2.582 17913 1802 1 8 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.473 -0.131 17913 1803 1 8 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.512 -4.064 17913 1804 1 8 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.766 -1.136 17913 1805 1 8 . 1 1 43 43 VAL N N 43 121.847 121.847 120.056 1.791 17913 1806 1 8 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.230 0.393 17913 1807 1 8 . 1 1 43 43 VAL CA C 43 61.175 61.175 62.172 -0.997 17913 1808 1 8 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.629 1.889 17913 1809 1 8 . 1 1 44 44 GLY N N 44 113.784 113.784 110.428 3.356 17913 1810 1 8 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.433 2.455 17913 1811 1 8 . 1 1 45 45 THR N N 45 112.652 112.652 117.528 -4.876 17913 1812 1 8 . 1 1 45 45 THR HA H 45 5.506 5.506 5.299 0.207 17913 1813 1 8 . 1 1 45 45 THR CA C 45 60.396 60.396 61.234 -0.839 17913 1814 1 8 . 1 1 45 45 THR CB C 45 71.151 71.151 70.937 0.214 17913 1815 1 8 . 1 1 46 46 SER N N 46 119.945 119.945 120.673 -0.728 17913 1816 1 8 . 1 1 46 46 SER HA H 46 4.496 4.496 4.678 -0.182 17913 1817 1 8 . 1 1 46 46 SER CA C 46 57.007 57.007 57.438 -0.431 17913 1818 1 8 . 1 1 46 46 SER CB C 46 63.816 63.816 64.264 -0.449 17913 1819 1 8 . 1 1 47 47 ARG N N 47 128.825 128.825 128.287 0.538 17913 1820 1 8 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.152 0.065 17913 1821 1 8 . 1 1 47 47 ARG CA C 47 59.482 59.482 57.375 2.107 17913 1822 1 8 . 1 1 47 47 ARG CB C 47 29.995 29.995 29.885 0.110 17913 1823 1 8 . 1 1 48 48 ARG N N 48 118.813 118.813 117.442 1.371 17913 1824 1 8 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.356 -0.140 17913 1825 1 8 . 1 1 48 48 ARG CA C 48 59.206 59.206 58.260 0.946 17913 1826 1 8 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.402 0.576 17913 1827 1 8 . 1 1 49 49 THR N N 49 105.015 105.015 111.768 -6.753 17913 1828 1 8 . 1 1 49 49 THR HA H 49 4.320 4.320 4.269 0.051 17913 1829 1 8 . 1 1 49 49 THR CA C 49 61.456 61.456 61.545 -0.089 17913 1830 1 8 . 1 1 49 49 THR CB C 49 70.527 70.527 69.163 1.364 17913 1831 1 8 . 1 1 50 50 LYS N N 50 115.674 115.674 117.951 -2.277 17913 1832 1 8 . 1 1 50 50 LYS HA H 50 4.045 4.045 3.961 0.084 17913 1833 1 8 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.386 0.472 17913 1834 1 8 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.370 -0.330 17913 1835 1 8 . 1 1 51 51 GLN N N 51 118.027 118.027 116.610 1.417 17913 1836 1 8 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.200 0.202 17913 1837 1 8 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.998 0.579 17913 1838 1 8 . 1 1 51 51 GLN CB C 51 29.802 29.802 30.449 -0.647 17913 1839 1 8 . 1 1 52 52 PHE N N 52 122.149 122.149 119.019 3.130 17913 1840 1 8 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.360 0.217 17913 1841 1 8 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.717 -1.202 17913 1842 1 8 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.238 2.681 17913 1843 1 8 . 1 1 53 53 GLY N N 53 113.270 113.270 112.435 0.835 17913 1844 1 8 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.211 1.343 17913 1845 1 8 . 1 1 54 54 THR N N 54 113.615 113.615 117.584 -3.969 17913 1846 1 8 . 1 1 54 54 THR HA H 54 6.034 6.034 5.074 0.960 17913 1847 1 8 . 1 1 54 54 THR CA C 54 57.841 57.841 60.800 -2.958 17913 1848 1 8 . 1 1 54 54 THR CB C 54 71.605 71.605 70.221 1.384 17913 1849 1 8 . 1 1 55 55 PHE N N 55 123.708 123.708 122.171 1.537 17913 1850 1 8 . 1 1 55 55 PHE HA H 55 4.850 4.850 5.013 -0.163 17913 1851 1 8 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.277 -0.225 17913 1852 1 8 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.468 -1.250 17913 1853 1 8 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.282 -1.013 17913 1854 1 8 . 1 1 56 56 PRO CA C 56 61.844 61.844 62.810 -0.966 17913 1855 1 8 . 1 1 56 56 PRO CB C 56 31.045 31.045 30.895 0.150 17913 1856 1 8 . 1 1 57 57 GLY N N 57 112.583 112.583 109.614 2.969 17913 1857 1 8 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.531 -0.935 17913 1858 1 8 . 1 1 58 58 ASN N N 58 112.820 112.820 117.203 -4.383 17913 1859 1 8 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.566 0.057 17913 1860 1 8 . 1 1 58 58 ASN CA C 58 52.873 52.873 51.669 1.204 17913 1861 1 8 . 1 1 58 58 ASN CB C 58 35.033 35.033 37.224 -2.191 17913 1862 1 8 . 1 1 59 59 TYR N N 59 119.700 119.700 118.107 1.593 17913 1863 1 8 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.514 0.142 17913 1864 1 8 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.487 0.710 17913 1865 1 8 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.440 -2.939 17913 1866 1 8 . 1 1 60 60 VAL N N 60 108.984 108.984 119.227 -10.243 17913 1867 1 8 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.115 1.339 17913 1868 1 8 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.707 -1.516 17913 1869 1 8 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.782 1.900 17913 1870 1 8 . 1 1 61 61 LYS N N 61 118.836 118.836 123.816 -4.980 17913 1871 1 8 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.002 0.245 17913 1872 1 8 . 1 1 61 61 LYS CA C 61 52.652 52.652 53.087 -0.435 17913 1873 1 8 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.482 1.262 17913 1874 1 8 . 1 1 62 62 PRO HA H 62 3.516 3.516 4.051 -0.535 17913 1875 1 8 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.865 0.065 17913 1876 1 8 . 1 1 62 62 PRO CB C 62 31.833 31.833 32.148 -0.315 17913 1877 1 8 . 1 1 63 63 LEU N N 63 122.539 122.539 123.344 -0.805 17913 1878 1 8 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.116 0.078 17913 1879 1 8 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.183 -0.494 17913 1880 1 8 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.391 1.377 17913 1881 1 9 . 1 1 2 2 THR N N 2 115.123 115.123 119.522 -4.399 17913 1882 1 9 . 1 1 2 2 THR HA H 2 4.359 4.359 4.295 0.064 17913 1883 1 9 . 1 1 2 2 THR CA C 2 61.918 61.918 63.721 -1.803 17913 1884 1 9 . 1 1 2 2 THR CB C 2 70.007 70.007 68.674 1.333 17913 1885 1 9 . 1 1 3 3 SER N N 3 117.860 117.860 119.098 -1.238 17913 1886 1 9 . 1 1 3 3 SER HA H 3 4.393 4.393 4.062 0.331 17913 1887 1 9 . 1 1 3 3 SER CA C 3 58.538 58.538 59.645 -1.107 17913 1888 1 9 . 1 1 3 3 SER CB C 3 63.865 63.865 62.950 0.916 17913 1889 1 9 . 1 1 4 4 GLN N N 4 121.904 121.904 123.813 -1.909 17913 1890 1 9 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.191 0.096 17913 1891 1 9 . 1 1 4 4 GLN CA C 4 55.929 55.929 56.953 -1.024 17913 1892 1 9 . 1 1 4 4 GLN CB C 4 29.431 29.431 28.741 0.690 17913 1893 1 9 . 1 1 5 5 ASP N N 5 121.274 121.274 123.372 -2.098 17913 1894 1 9 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.454 0.061 17913 1895 1 9 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.571 1.051 17913 1896 1 9 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.244 -0.064 17913 1897 1 9 . 1 1 6 6 LEU N N 6 121.060 121.060 119.331 1.729 17913 1898 1 9 . 1 1 6 6 LEU HA H 6 4.256 4.256 3.956 0.300 17913 1899 1 9 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.516 0.541 17913 1900 1 9 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.741 -0.031 17913 1901 1 9 . 1 1 7 7 PHE N N 7 119.312 119.312 116.664 2.648 17913 1902 1 9 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.791 0.061 17913 1903 1 9 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.740 0.224 17913 1904 1 9 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.522 -0.025 17913 1905 1 9 . 1 1 8 8 SER N N 8 117.645 117.645 115.515 2.130 17913 1906 1 9 . 1 1 8 8 SER HA H 8 5.341 5.341 5.246 0.095 17913 1907 1 9 . 1 1 8 8 SER CA C 8 58.530 58.530 57.590 0.940 17913 1908 1 9 . 1 1 8 8 SER CB C 8 64.615 64.615 64.489 0.126 17913 1909 1 9 . 1 1 9 9 TYR N N 9 123.973 123.973 121.749 2.224 17913 1910 1 9 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.827 0.244 17913 1911 1 9 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.258 -0.635 17913 1912 1 9 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.183 0.533 17913 1913 1 9 . 1 1 10 10 GLN N N 10 119.777 119.777 121.152 -1.375 17913 1914 1 9 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.566 -0.117 17913 1915 1 9 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.422 -0.216 17913 1916 1 9 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.823 0.011 17913 1917 1 9 . 1 1 11 11 ALA N N 11 128.040 128.040 128.721 -0.681 17913 1918 1 9 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.432 0.242 17913 1919 1 9 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.067 1.731 17913 1920 1 9 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.872 -0.812 17913 1921 1 9 . 1 1 12 12 LEU N N 12 126.475 126.475 125.264 1.211 17913 1922 1 9 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.135 -0.176 17913 1923 1 9 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.538 -2.406 17913 1924 1 9 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.046 1.745 17913 1925 1 9 . 1 1 13 13 TYR N N 13 112.484 112.484 110.400 2.084 17913 1926 1 9 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.826 -0.073 17913 1927 1 9 . 1 1 13 13 TYR CA C 13 53.592 53.592 54.858 -1.266 17913 1928 1 9 . 1 1 13 13 TYR CB C 13 42.569 42.569 39.129 3.440 17913 1929 1 9 . 1 1 14 14 SER N N 14 113.568 113.568 115.975 -2.407 17913 1930 1 9 . 1 1 14 14 SER HA H 14 4.397 4.397 4.573 -0.176 17913 1931 1 9 . 1 1 14 14 SER CA C 14 58.401 58.401 58.973 -0.572 17913 1932 1 9 . 1 1 14 14 SER CB C 14 64.028 64.028 63.642 0.385 17913 1933 1 9 . 1 1 15 15 TYR N N 15 122.458 122.458 124.763 -2.305 17913 1934 1 9 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.708 -0.014 17913 1935 1 9 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.294 1.833 17913 1936 1 9 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.895 0.188 17913 1937 1 9 . 1 1 16 16 ILE N N 16 129.002 129.002 127.865 1.137 17913 1938 1 9 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.342 -0.009 17913 1939 1 9 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.294 0.066 17913 1940 1 9 . 1 1 16 16 ILE CB C 16 37.998 37.998 38.136 -0.138 17913 1941 1 9 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.528 -0.153 17913 1942 1 9 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.698 0.916 17913 1943 1 9 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.036 1.980 17913 1944 1 9 . 1 1 18 18 GLN N N 18 120.610 120.610 123.563 -2.953 17913 1945 1 9 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.070 0.256 17913 1946 1 9 . 1 1 18 18 GLN CA C 18 54.774 54.774 57.628 -2.854 17913 1947 1 9 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.374 1.493 17913 1948 1 9 . 1 1 19 19 ASN N N 19 114.130 114.130 115.787 -1.657 17913 1949 1 9 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.961 -0.084 17913 1950 1 9 . 1 1 19 19 ASN CA C 19 52.046 52.046 51.882 0.164 17913 1951 1 9 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.006 4.110 17913 1952 1 9 . 1 1 20 20 ASP N N 20 119.849 119.849 120.431 -0.582 17913 1953 1 9 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.522 -0.113 17913 1954 1 9 . 1 1 20 20 ASP CA C 20 56.761 56.761 56.339 0.422 17913 1955 1 9 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.782 -0.355 17913 1956 1 9 . 1 1 21 21 ASP N N 21 116.249 116.249 117.600 -1.351 17913 1957 1 9 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.630 0.086 17913 1958 1 9 . 1 1 21 21 ASP CA C 21 52.903 52.903 55.911 -3.009 17913 1959 1 9 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.240 -1.721 17913 1960 1 9 . 1 1 22 22 GLU N N 22 119.836 119.836 118.937 0.899 17913 1961 1 9 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.198 0.108 17913 1962 1 9 . 1 1 22 22 GLU CA C 22 54.842 54.842 56.024 -1.182 17913 1963 1 9 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.284 0.529 17913 1964 1 9 . 1 1 23 23 LEU N N 23 124.087 124.087 121.994 2.093 17913 1965 1 9 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.687 -0.336 17913 1966 1 9 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.600 -0.403 17913 1967 1 9 . 1 1 23 23 LEU CB C 23 45.612 45.612 44.376 1.236 17913 1968 1 9 . 1 1 24 24 GLU N N 24 122.201 122.201 124.619 -2.418 17913 1969 1 9 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.462 0.102 17913 1970 1 9 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.489 -0.291 17913 1971 1 9 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.096 -0.261 17913 1972 1 9 . 1 1 25 25 LEU N N 25 125.205 125.205 127.941 -2.736 17913 1973 1 9 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.684 -0.073 17913 1974 1 9 . 1 1 25 25 LEU CA C 25 53.546 53.546 53.096 0.450 17913 1975 1 9 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.946 0.168 17913 1976 1 9 . 1 1 26 26 ARG N N 26 124.847 124.847 126.657 -1.810 17913 1977 1 9 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.774 -0.049 17913 1978 1 9 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.404 0.792 17913 1979 1 9 . 1 1 26 26 ARG CB C 26 32.565 32.565 33.308 -0.743 17913 1980 1 9 . 1 1 27 27 ASP N N 27 121.325 121.325 125.188 -3.863 17913 1981 1 9 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.109 -0.680 17913 1982 1 9 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.451 0.599 17913 1983 1 9 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.634 -0.420 17913 1984 1 9 . 1 1 28 28 GLY N N 28 113.421 113.421 112.504 0.917 17913 1985 1 9 . 1 1 28 28 GLY CA C 28 44.889 44.889 44.977 -0.088 17913 1986 1 9 . 1 1 29 29 ASP N N 29 122.317 122.317 120.698 1.619 17913 1987 1 9 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.698 -0.242 17913 1988 1 9 . 1 1 29 29 ASP CA C 29 55.528 55.528 54.492 1.036 17913 1989 1 9 . 1 1 29 29 ASP CB C 29 41.558 41.558 42.751 -1.193 17913 1990 1 9 . 1 1 30 30 ILE N N 30 121.394 121.394 122.116 -0.722 17913 1991 1 9 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.315 -0.314 17913 1992 1 9 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.854 0.036 17913 1993 1 9 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.824 -1.604 17913 1994 1 9 . 1 1 31 31 VAL N N 31 124.770 124.770 126.857 -2.087 17913 1995 1 9 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.605 0.269 17913 1996 1 9 . 1 1 31 31 VAL CA C 31 58.941 58.941 60.241 -1.300 17913 1997 1 9 . 1 1 31 31 VAL CB C 31 35.084 35.084 35.660 -0.577 17913 1998 1 9 . 1 1 32 32 ASP N N 32 124.983 124.983 130.092 -5.109 17913 1999 1 9 . 1 1 32 32 ASP HA H 32 5.369 5.369 4.940 0.429 17913 2000 1 9 . 1 1 32 32 ASP CA C 32 54.018 54.018 52.184 1.834 17913 2001 1 9 . 1 1 32 32 ASP CB C 32 42.325 42.325 43.659 -1.334 17913 2002 1 9 . 1 1 33 33 VAL N N 33 127.010 127.010 125.541 1.469 17913 2003 1 9 . 1 1 33 33 VAL HA H 33 4.155 4.155 4.868 -0.713 17913 2004 1 9 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.791 2.437 17913 2005 1 9 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.512 0.750 17913 2006 1 9 . 1 1 34 34 MET N N 34 126.236 126.236 126.341 -0.105 17913 2007 1 9 . 1 1 34 34 MET HA H 34 4.646 4.646 4.585 0.061 17913 2008 1 9 . 1 1 34 34 MET CA C 34 56.039 56.039 55.775 0.264 17913 2009 1 9 . 1 1 34 34 MET CB C 34 35.364 35.364 33.077 2.287 17913 2010 1 9 . 1 1 35 35 GLU N N 35 118.007 118.007 117.826 0.181 17913 2011 1 9 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.518 -0.044 17913 2012 1 9 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.588 -0.032 17913 2013 1 9 . 1 1 35 35 GLU CB C 35 33.470 33.470 32.847 0.623 17913 2014 1 9 . 1 1 36 36 LYS N N 36 124.151 124.151 126.068 -1.917 17913 2015 1 9 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.824 -0.463 17913 2016 1 9 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.937 -0.360 17913 2017 1 9 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.270 -0.289 17913 2018 1 9 . 1 1 37 37 CYS N N 37 122.385 122.385 124.425 -2.040 17913 2019 1 9 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.582 0.010 17913 2020 1 9 . 1 1 37 37 CYS CA C 37 58.377 58.377 57.522 0.855 17913 2021 1 9 . 1 1 37 37 CYS CB C 37 29.217 29.217 28.026 1.192 17913 2022 1 9 . 1 1 38 38 ASP N N 38 123.591 123.591 125.281 -1.690 17913 2023 1 9 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.335 0.020 17913 2024 1 9 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.784 -0.029 17913 2025 1 9 . 1 1 38 38 ASP CB C 38 40.300 40.300 41.095 -0.795 17913 2026 1 9 . 1 1 39 39 ASP N N 39 117.190 117.190 117.179 0.011 17913 2027 1 9 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.451 0.021 17913 2028 1 9 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.494 -1.278 17913 2029 1 9 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.948 -0.818 17913 2030 1 9 . 1 1 40 40 GLY N N 40 105.575 105.575 106.083 -0.508 17913 2031 1 9 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.583 0.392 17913 2032 1 9 . 1 1 41 41 TRP N N 41 123.669 123.669 119.994 3.675 17913 2033 1 9 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.549 -0.492 17913 2034 1 9 . 1 1 41 41 TRP CA C 41 58.452 58.452 54.616 3.836 17913 2035 1 9 . 1 1 41 41 TRP CB C 41 27.230 27.230 30.381 -3.151 17913 2036 1 9 . 1 1 42 42 PHE N N 42 120.474 120.474 116.462 4.012 17913 2037 1 9 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.315 0.027 17913 2038 1 9 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.742 -4.294 17913 2039 1 9 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.317 -0.687 17913 2040 1 9 . 1 1 43 43 VAL N N 43 121.847 121.847 119.255 2.592 17913 2041 1 9 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.206 0.417 17913 2042 1 9 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.584 -0.409 17913 2043 1 9 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.686 1.832 17913 2044 1 9 . 1 1 44 44 GLY N N 44 113.784 113.784 109.426 4.358 17913 2045 1 9 . 1 1 44 44 GLY CA C 44 46.888 46.888 45.151 1.737 17913 2046 1 9 . 1 1 45 45 THR N N 45 112.652 112.652 117.431 -4.779 17913 2047 1 9 . 1 1 45 45 THR HA H 45 5.506 5.506 5.307 0.199 17913 2048 1 9 . 1 1 45 45 THR CA C 45 60.396 60.396 61.164 -0.768 17913 2049 1 9 . 1 1 45 45 THR CB C 45 71.151 71.151 70.868 0.283 17913 2050 1 9 . 1 1 46 46 SER N N 46 119.945 119.945 121.052 -1.107 17913 2051 1 9 . 1 1 46 46 SER HA H 46 4.496 4.496 4.530 -0.034 17913 2052 1 9 . 1 1 46 46 SER CA C 46 57.007 57.007 57.019 -0.012 17913 2053 1 9 . 1 1 46 46 SER CB C 46 63.816 63.816 64.052 -0.236 17913 2054 1 9 . 1 1 47 47 ARG N N 47 128.825 128.825 128.416 0.409 17913 2055 1 9 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.254 -0.037 17913 2056 1 9 . 1 1 47 47 ARG CA C 47 59.482 59.482 58.099 1.383 17913 2057 1 9 . 1 1 47 47 ARG CB C 47 29.995 29.995 30.161 -0.166 17913 2058 1 9 . 1 1 48 48 ARG N N 48 118.813 118.813 117.145 1.668 17913 2059 1 9 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.289 -0.073 17913 2060 1 9 . 1 1 48 48 ARG CA C 48 59.206 59.206 57.951 1.255 17913 2061 1 9 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.193 0.785 17913 2062 1 9 . 1 1 49 49 THR N N 49 105.015 105.015 111.615 -6.600 17913 2063 1 9 . 1 1 49 49 THR HA H 49 4.320 4.320 4.482 -0.162 17913 2064 1 9 . 1 1 49 49 THR CA C 49 61.456 61.456 61.074 0.382 17913 2065 1 9 . 1 1 49 49 THR CB C 49 70.527 70.527 70.118 0.409 17913 2066 1 9 . 1 1 50 50 LYS N N 50 115.674 115.674 118.679 -3.005 17913 2067 1 9 . 1 1 50 50 LYS HA H 50 4.045 4.045 3.915 0.130 17913 2068 1 9 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.530 0.328 17913 2069 1 9 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.720 -0.680 17913 2070 1 9 . 1 1 51 51 GLN N N 51 118.027 118.027 116.445 1.582 17913 2071 1 9 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.267 0.135 17913 2072 1 9 . 1 1 51 51 GLN CA C 51 55.577 55.577 55.747 -0.170 17913 2073 1 9 . 1 1 51 51 GLN CB C 51 29.802 29.802 30.484 -0.682 17913 2074 1 9 . 1 1 52 52 PHE N N 52 122.149 122.149 120.003 2.146 17913 2075 1 9 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.398 0.179 17913 2076 1 9 . 1 1 52 52 PHE CA C 52 55.515 55.515 57.121 -1.606 17913 2077 1 9 . 1 1 52 52 PHE CB C 52 42.919 42.919 39.942 2.977 17913 2078 1 9 . 1 1 53 53 GLY N N 53 113.270 113.270 112.312 0.958 17913 2079 1 9 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.214 1.340 17913 2080 1 9 . 1 1 54 54 THR N N 54 113.615 113.615 117.785 -4.170 17913 2081 1 9 . 1 1 54 54 THR HA H 54 6.034 6.034 5.261 0.773 17913 2082 1 9 . 1 1 54 54 THR CA C 54 57.841 57.841 60.589 -2.748 17913 2083 1 9 . 1 1 54 54 THR CB C 54 71.605 71.605 70.323 1.282 17913 2084 1 9 . 1 1 55 55 PHE N N 55 123.708 123.708 121.863 1.845 17913 2085 1 9 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.721 0.129 17913 2086 1 9 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.078 -0.026 17913 2087 1 9 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.138 -0.920 17913 2088 1 9 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.463 -1.194 17913 2089 1 9 . 1 1 56 56 PRO CA C 56 61.844 61.844 62.561 -0.717 17913 2090 1 9 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.015 0.030 17913 2091 1 9 . 1 1 57 57 GLY N N 57 112.583 112.583 109.619 2.964 17913 2092 1 9 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.216 -0.620 17913 2093 1 9 . 1 1 58 58 ASN N N 58 112.820 112.820 117.309 -4.489 17913 2094 1 9 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.685 -0.062 17913 2095 1 9 . 1 1 58 58 ASN CA C 58 52.873 52.873 53.195 -0.322 17913 2096 1 9 . 1 1 58 58 ASN CB C 58 35.033 35.033 38.479 -3.446 17913 2097 1 9 . 1 1 59 59 TYR N N 59 119.700 119.700 119.347 0.353 17913 2098 1 9 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.579 0.077 17913 2099 1 9 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.277 0.920 17913 2100 1 9 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.013 -2.512 17913 2101 1 9 . 1 1 60 60 VAL N N 60 108.984 108.984 118.558 -9.574 17913 2102 1 9 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.115 1.339 17913 2103 1 9 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.733 -1.542 17913 2104 1 9 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.614 2.068 17913 2105 1 9 . 1 1 61 61 LYS N N 61 118.836 118.836 124.305 -5.469 17913 2106 1 9 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.027 0.220 17913 2107 1 9 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.967 -0.315 17913 2108 1 9 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.343 1.401 17913 2109 1 9 . 1 1 62 62 PRO HA H 62 3.516 3.516 3.765 -0.249 17913 2110 1 9 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.850 0.080 17913 2111 1 9 . 1 1 62 62 PRO CB C 62 31.833 31.833 31.739 0.094 17913 2112 1 9 . 1 1 63 63 LEU N N 63 122.539 122.539 122.906 -0.367 17913 2113 1 9 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.157 0.037 17913 2114 1 9 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.599 -0.910 17913 2115 1 9 . 1 1 63 63 LEU CB C 63 42.768 42.768 42.548 0.220 17913 2116 1 10 . 1 1 2 2 THR N N 2 115.123 115.123 111.946 3.177 17913 2117 1 10 . 1 1 2 2 THR HA H 2 4.359 4.359 3.904 0.455 17913 2118 1 10 . 1 1 2 2 THR CA C 2 61.918 61.918 64.705 -2.787 17913 2119 1 10 . 1 1 2 2 THR CB C 2 70.007 70.007 67.752 2.255 17913 2120 1 10 . 1 1 3 3 SER N N 3 117.860 117.860 118.947 -1.087 17913 2121 1 10 . 1 1 3 3 SER HA H 3 4.393 4.393 4.458 -0.065 17913 2122 1 10 . 1 1 3 3 SER CA C 3 58.538 58.538 59.654 -1.115 17913 2123 1 10 . 1 1 3 3 SER CB C 3 63.865 63.865 63.724 0.141 17913 2124 1 10 . 1 1 4 4 GLN N N 4 121.904 121.904 121.297 0.607 17913 2125 1 10 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.345 -0.058 17913 2126 1 10 . 1 1 4 4 GLN CA C 4 55.929 55.929 56.077 -0.148 17913 2127 1 10 . 1 1 4 4 GLN CB C 4 29.431 29.431 29.534 -0.103 17913 2128 1 10 . 1 1 5 5 ASP N N 5 121.274 121.274 123.806 -2.532 17913 2129 1 10 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.783 -0.268 17913 2130 1 10 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.012 1.610 17913 2131 1 10 . 1 1 5 5 ASP CB C 5 41.180 41.180 42.634 -1.454 17913 2132 1 10 . 1 1 6 6 LEU N N 6 121.060 121.060 122.098 -1.038 17913 2133 1 10 . 1 1 6 6 LEU HA H 6 4.256 4.256 4.420 -0.164 17913 2134 1 10 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.131 0.926 17913 2135 1 10 . 1 1 6 6 LEU CB C 6 42.710 42.710 43.263 -0.553 17913 2136 1 10 . 1 1 7 7 PHE N N 7 119.312 119.312 119.447 -0.135 17913 2137 1 10 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.688 0.164 17913 2138 1 10 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.272 0.692 17913 2139 1 10 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.485 0.012 17913 2140 1 10 . 1 1 8 8 SER N N 8 117.645 117.645 114.899 2.746 17913 2141 1 10 . 1 1 8 8 SER HA H 8 5.341 5.341 5.356 -0.015 17913 2142 1 10 . 1 1 8 8 SER CA C 8 58.530 58.530 57.251 1.279 17913 2143 1 10 . 1 1 8 8 SER CB C 8 64.615 64.615 65.806 -1.192 17913 2144 1 10 . 1 1 9 9 TYR N N 9 123.973 123.973 120.365 3.608 17913 2145 1 10 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.812 0.259 17913 2146 1 10 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.007 -0.384 17913 2147 1 10 . 1 1 9 9 TYR CB C 9 42.716 42.716 41.916 0.800 17913 2148 1 10 . 1 1 10 10 GLN N N 10 119.777 119.777 121.309 -1.532 17913 2149 1 10 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.345 0.104 17913 2150 1 10 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.632 -0.426 17913 2151 1 10 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.773 0.061 17913 2152 1 10 . 1 1 11 11 ALA N N 11 128.040 128.040 128.554 -0.514 17913 2153 1 10 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.483 0.191 17913 2154 1 10 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.124 1.674 17913 2155 1 10 . 1 1 11 11 ALA CB C 11 19.060 19.060 20.032 -0.972 17913 2156 1 10 . 1 1 12 12 LEU N N 12 126.475 126.475 124.531 1.944 17913 2157 1 10 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.115 -0.156 17913 2158 1 10 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.631 -2.499 17913 2159 1 10 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.074 1.717 17913 2160 1 10 . 1 1 13 13 TYR N N 13 112.484 112.484 110.344 2.140 17913 2161 1 10 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.845 -0.092 17913 2162 1 10 . 1 1 13 13 TYR CA C 13 53.592 53.592 54.605 -1.013 17913 2163 1 10 . 1 1 13 13 TYR CB C 13 42.569 42.569 39.903 2.667 17913 2164 1 10 . 1 1 14 14 SER N N 14 113.568 113.568 115.124 -1.556 17913 2165 1 10 . 1 1 14 14 SER HA H 14 4.397 4.397 4.669 -0.272 17913 2166 1 10 . 1 1 14 14 SER CA C 14 58.401 58.401 57.934 0.467 17913 2167 1 10 . 1 1 14 14 SER CB C 14 64.028 64.028 63.708 0.320 17913 2168 1 10 . 1 1 15 15 TYR N N 15 122.458 122.458 125.133 -2.675 17913 2169 1 10 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.709 -0.015 17913 2170 1 10 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.069 2.058 17913 2171 1 10 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.947 0.137 17913 2172 1 10 . 1 1 16 16 ILE N N 16 129.002 129.002 126.323 2.679 17913 2173 1 10 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.327 0.006 17913 2174 1 10 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.693 -0.333 17913 2175 1 10 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.761 0.237 17913 2176 1 10 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.628 -0.253 17913 2177 1 10 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.702 0.912 17913 2178 1 10 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.255 1.761 17913 2179 1 10 . 1 1 18 18 GLN N N 18 120.610 120.610 123.360 -2.750 17913 2180 1 10 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.116 0.210 17913 2181 1 10 . 1 1 18 18 GLN CA C 18 54.774 54.774 56.975 -2.201 17913 2182 1 10 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.401 1.466 17913 2183 1 10 . 1 1 19 19 ASN N N 19 114.130 114.130 116.878 -2.748 17913 2184 1 10 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.934 -0.057 17913 2185 1 10 . 1 1 19 19 ASN CA C 19 52.046 52.046 51.882 0.164 17913 2186 1 10 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.984 3.131 17913 2187 1 10 . 1 1 20 20 ASP N N 20 119.849 119.849 119.190 0.659 17913 2188 1 10 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.472 -0.063 17913 2189 1 10 . 1 1 20 20 ASP CA C 20 56.761 56.761 55.633 1.128 17913 2190 1 10 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.514 -0.087 17913 2191 1 10 . 1 1 21 21 ASP N N 21 116.249 116.249 119.101 -2.852 17913 2192 1 10 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.551 0.165 17913 2193 1 10 . 1 1 21 21 ASP CA C 21 52.903 52.903 56.182 -3.279 17913 2194 1 10 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.053 -1.534 17913 2195 1 10 . 1 1 22 22 GLU N N 22 119.836 119.836 118.682 1.154 17913 2196 1 10 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.014 0.292 17913 2197 1 10 . 1 1 22 22 GLU CA C 22 54.842 54.842 56.003 -1.161 17913 2198 1 10 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.279 0.534 17913 2199 1 10 . 1 1 23 23 LEU N N 23 124.087 124.087 121.450 2.637 17913 2200 1 10 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.692 -0.341 17913 2201 1 10 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.462 -0.265 17913 2202 1 10 . 1 1 23 23 LEU CB C 23 45.612 45.612 45.004 0.608 17913 2203 1 10 . 1 1 24 24 GLU N N 24 122.201 122.201 124.332 -2.131 17913 2204 1 10 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.280 0.284 17913 2205 1 10 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.379 -0.181 17913 2206 1 10 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.065 -0.230 17913 2207 1 10 . 1 1 25 25 LEU N N 25 125.205 125.205 128.206 -3.001 17913 2208 1 10 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.663 -0.052 17913 2209 1 10 . 1 1 25 25 LEU CA C 25 53.546 53.546 52.792 0.754 17913 2210 1 10 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.831 0.283 17913 2211 1 10 . 1 1 26 26 ARG N N 26 124.847 124.847 125.286 -0.439 17913 2212 1 10 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.635 0.090 17913 2213 1 10 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.697 0.499 17913 2214 1 10 . 1 1 26 26 ARG CB C 26 32.565 32.565 33.499 -0.934 17913 2215 1 10 . 1 1 27 27 ASP N N 27 121.325 121.325 121.943 -0.618 17913 2216 1 10 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.438 -1.009 17913 2217 1 10 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.095 0.955 17913 2218 1 10 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.474 -0.260 17913 2219 1 10 . 1 1 28 28 GLY N N 28 113.421 113.421 109.622 3.799 17913 2220 1 10 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.524 -0.635 17913 2221 1 10 . 1 1 29 29 ASP N N 29 122.317 122.317 120.089 2.228 17913 2222 1 10 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.884 -0.428 17913 2223 1 10 . 1 1 29 29 ASP CA C 29 55.528 55.528 52.339 3.189 17913 2224 1 10 . 1 1 29 29 ASP CB C 29 41.558 41.558 42.870 -1.312 17913 2225 1 10 . 1 1 30 30 ILE N N 30 121.394 121.394 123.153 -1.759 17913 2226 1 10 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.201 -0.200 17913 2227 1 10 . 1 1 30 30 ILE CA C 30 59.890 59.890 60.100 -0.210 17913 2228 1 10 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.531 -1.311 17913 2229 1 10 . 1 1 31 31 VAL N N 31 124.770 124.770 127.170 -2.400 17913 2230 1 10 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.608 0.266 17913 2231 1 10 . 1 1 31 31 VAL CA C 31 58.941 58.941 60.002 -1.061 17913 2232 1 10 . 1 1 31 31 VAL CB C 31 35.084 35.084 35.583 -0.499 17913 2233 1 10 . 1 1 32 32 ASP N N 32 124.983 124.983 130.274 -5.291 17913 2234 1 10 . 1 1 32 32 ASP HA H 32 5.369 5.369 5.085 0.284 17913 2235 1 10 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.555 0.463 17913 2236 1 10 . 1 1 32 32 ASP CB C 32 42.325 42.325 43.687 -1.362 17913 2237 1 10 . 1 1 33 33 VAL N N 33 127.010 127.010 123.876 3.134 17913 2238 1 10 . 1 1 33 33 VAL HA H 33 4.155 4.155 4.776 -0.621 17913 2239 1 10 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.701 2.527 17913 2240 1 10 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.405 0.857 17913 2241 1 10 . 1 1 34 34 MET N N 34 126.236 126.236 126.325 -0.089 17913 2242 1 10 . 1 1 34 34 MET HA H 34 4.646 4.646 4.587 0.059 17913 2243 1 10 . 1 1 34 34 MET CA C 34 56.039 56.039 56.621 -0.582 17913 2244 1 10 . 1 1 34 34 MET CB C 34 35.364 35.364 33.222 2.142 17913 2245 1 10 . 1 1 35 35 GLU N N 35 118.007 118.007 118.845 -0.838 17913 2246 1 10 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.617 -0.143 17913 2247 1 10 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.584 -0.028 17913 2248 1 10 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.110 0.360 17913 2249 1 10 . 1 1 36 36 LYS N N 36 124.151 124.151 125.187 -1.036 17913 2250 1 10 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.845 -0.484 17913 2251 1 10 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.188 0.389 17913 2252 1 10 . 1 1 36 36 LYS CB C 36 32.981 32.981 34.265 -1.284 17913 2253 1 10 . 1 1 37 37 CYS N N 37 122.385 122.385 123.331 -0.946 17913 2254 1 10 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.452 0.140 17913 2255 1 10 . 1 1 37 37 CYS CA C 37 58.377 58.377 58.336 0.041 17913 2256 1 10 . 1 1 37 37 CYS CB C 37 29.217 29.217 27.814 1.403 17913 2257 1 10 . 1 1 38 38 ASP N N 38 123.591 123.591 122.820 0.771 17913 2258 1 10 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.389 -0.034 17913 2259 1 10 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.086 0.669 17913 2260 1 10 . 1 1 38 38 ASP CB C 38 40.300 40.300 41.250 -0.950 17913 2261 1 10 . 1 1 39 39 ASP N N 39 117.190 117.190 115.964 1.226 17913 2262 1 10 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.611 -0.139 17913 2263 1 10 . 1 1 39 39 ASP CA C 39 53.216 53.216 53.990 -0.774 17913 2264 1 10 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.973 -0.843 17913 2265 1 10 . 1 1 40 40 GLY N N 40 105.575 105.575 110.537 -4.962 17913 2266 1 10 . 1 1 40 40 GLY CA C 40 44.975 44.975 45.075 -0.100 17913 2267 1 10 . 1 1 41 41 TRP N N 41 123.669 123.669 121.152 2.517 17913 2268 1 10 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.407 -0.350 17913 2269 1 10 . 1 1 41 41 TRP CA C 41 58.452 58.452 55.634 2.818 17913 2270 1 10 . 1 1 41 41 TRP CB C 41 27.230 27.230 31.114 -3.884 17913 2271 1 10 . 1 1 42 42 PHE N N 42 120.474 120.474 114.868 5.606 17913 2272 1 10 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.364 -0.022 17913 2273 1 10 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.753 -4.305 17913 2274 1 10 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.492 -0.862 17913 2275 1 10 . 1 1 43 43 VAL N N 43 121.847 121.847 119.734 2.113 17913 2276 1 10 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.238 0.385 17913 2277 1 10 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.810 -0.635 17913 2278 1 10 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.837 1.681 17913 2279 1 10 . 1 1 44 44 GLY N N 44 113.784 113.784 108.134 5.650 17913 2280 1 10 . 1 1 44 44 GLY CA C 44 46.888 46.888 45.120 1.768 17913 2281 1 10 . 1 1 45 45 THR N N 45 112.652 112.652 116.847 -4.195 17913 2282 1 10 . 1 1 45 45 THR HA H 45 5.506 5.506 5.000 0.506 17913 2283 1 10 . 1 1 45 45 THR CA C 45 60.396 60.396 61.309 -0.913 17913 2284 1 10 . 1 1 45 45 THR CB C 45 71.151 71.151 70.374 0.777 17913 2285 1 10 . 1 1 46 46 SER N N 46 119.945 119.945 120.904 -0.959 17913 2286 1 10 . 1 1 46 46 SER HA H 46 4.496 4.496 4.592 -0.096 17913 2287 1 10 . 1 1 46 46 SER CA C 46 57.007 57.007 57.139 -0.132 17913 2288 1 10 . 1 1 46 46 SER CB C 46 63.816 63.816 64.219 -0.403 17913 2289 1 10 . 1 1 47 47 ARG N N 47 128.825 128.825 128.426 0.399 17913 2290 1 10 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.264 -0.047 17913 2291 1 10 . 1 1 47 47 ARG CA C 47 59.482 59.482 56.511 2.971 17913 2292 1 10 . 1 1 47 47 ARG CB C 47 29.995 29.995 29.912 0.083 17913 2293 1 10 . 1 1 48 48 ARG N N 48 118.813 118.813 119.005 -0.192 17913 2294 1 10 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.287 -0.071 17913 2295 1 10 . 1 1 48 48 ARG CA C 48 59.206 59.206 58.660 0.546 17913 2296 1 10 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.586 0.392 17913 2297 1 10 . 1 1 49 49 THR N N 49 105.015 105.015 111.217 -6.202 17913 2298 1 10 . 1 1 49 49 THR HA H 49 4.320 4.320 4.401 -0.081 17913 2299 1 10 . 1 1 49 49 THR CA C 49 61.456 61.456 60.950 0.506 17913 2300 1 10 . 1 1 49 49 THR CB C 49 70.527 70.527 69.135 1.392 17913 2301 1 10 . 1 1 50 50 LYS N N 50 115.674 115.674 118.981 -3.307 17913 2302 1 10 . 1 1 50 50 LYS HA H 50 4.045 4.045 3.996 0.049 17913 2303 1 10 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.519 0.339 17913 2304 1 10 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.312 -0.272 17913 2305 1 10 . 1 1 51 51 GLN N N 51 118.027 118.027 116.591 1.436 17913 2306 1 10 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.608 -0.206 17913 2307 1 10 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.655 0.922 17913 2308 1 10 . 1 1 51 51 GLN CB C 51 29.802 29.802 30.988 -1.186 17913 2309 1 10 . 1 1 52 52 PHE N N 52 122.149 122.149 119.119 3.030 17913 2310 1 10 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.301 0.276 17913 2311 1 10 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.750 -1.235 17913 2312 1 10 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.251 2.668 17913 2313 1 10 . 1 1 53 53 GLY N N 53 113.270 113.270 112.607 0.663 17913 2314 1 10 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.127 1.427 17913 2315 1 10 . 1 1 54 54 THR N N 54 113.615 113.615 116.736 -3.121 17913 2316 1 10 . 1 1 54 54 THR HA H 54 6.034 6.034 4.949 1.085 17913 2317 1 10 . 1 1 54 54 THR CA C 54 57.841 57.841 60.837 -2.996 17913 2318 1 10 . 1 1 54 54 THR CB C 54 71.605 71.605 70.227 1.379 17913 2319 1 10 . 1 1 55 55 PHE N N 55 123.708 123.708 120.503 3.205 17913 2320 1 10 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.819 0.031 17913 2321 1 10 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.526 -0.474 17913 2322 1 10 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.019 -0.801 17913 2323 1 10 . 1 1 56 56 PRO HA H 56 2.269 2.269 4.599 -2.330 17913 2324 1 10 . 1 1 56 56 PRO CA C 56 61.844 61.844 63.793 -1.949 17913 2325 1 10 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.418 -0.373 17913 2326 1 10 . 1 1 57 57 GLY N N 57 112.583 112.583 110.130 2.453 17913 2327 1 10 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.712 -1.116 17913 2328 1 10 . 1 1 58 58 ASN N N 58 112.820 112.820 116.216 -3.396 17913 2329 1 10 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.641 -0.018 17913 2330 1 10 . 1 1 58 58 ASN CA C 58 52.873 52.873 52.728 0.145 17913 2331 1 10 . 1 1 58 58 ASN CB C 58 35.033 35.033 36.701 -1.668 17913 2332 1 10 . 1 1 59 59 TYR N N 59 119.700 119.700 119.744 -0.044 17913 2333 1 10 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.679 -0.023 17913 2334 1 10 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.734 0.463 17913 2335 1 10 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.544 -3.042 17913 2336 1 10 . 1 1 60 60 VAL N N 60 108.984 108.984 118.559 -9.575 17913 2337 1 10 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.196 1.258 17913 2338 1 10 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.867 -1.675 17913 2339 1 10 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.648 2.034 17913 2340 1 10 . 1 1 61 61 LYS N N 61 118.836 118.836 124.488 -5.652 17913 2341 1 10 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.055 0.192 17913 2342 1 10 . 1 1 61 61 LYS CA C 61 52.652 52.652 53.003 -0.351 17913 2343 1 10 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.234 1.510 17913 2344 1 10 . 1 1 62 62 PRO HA H 62 3.516 3.516 4.026 -0.510 17913 2345 1 10 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.990 -0.060 17913 2346 1 10 . 1 1 62 62 PRO CB C 62 31.833 31.833 32.053 -0.221 17913 2347 1 10 . 1 1 63 63 LEU N N 63 122.539 122.539 120.558 1.981 17913 2348 1 10 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.173 0.021 17913 2349 1 10 . 1 1 63 63 LEU CA C 63 54.689 54.689 54.950 -0.261 17913 2350 1 10 . 1 1 63 63 LEU CB C 63 42.768 42.768 42.179 0.589 17913 2351 1 11 . 1 1 2 2 THR N N 2 115.123 115.123 115.231 -0.108 17913 2352 1 11 . 1 1 2 2 THR HA H 2 4.359 4.359 4.259 0.100 17913 2353 1 11 . 1 1 2 2 THR CA C 2 61.918 61.918 62.877 -0.959 17913 2354 1 11 . 1 1 2 2 THR CB C 2 70.007 70.007 68.911 1.096 17913 2355 1 11 . 1 1 3 3 SER N N 3 117.860 117.860 118.043 -0.183 17913 2356 1 11 . 1 1 3 3 SER HA H 3 4.393 4.393 4.466 -0.073 17913 2357 1 11 . 1 1 3 3 SER CA C 3 58.538 58.538 57.281 1.257 17913 2358 1 11 . 1 1 3 3 SER CB C 3 63.865 63.865 63.993 -0.128 17913 2359 1 11 . 1 1 4 4 GLN N N 4 121.904 121.904 122.367 -0.463 17913 2360 1 11 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.414 -0.127 17913 2361 1 11 . 1 1 4 4 GLN CA C 4 55.929 55.929 55.542 0.387 17913 2362 1 11 . 1 1 4 4 GLN CB C 4 29.431 29.431 27.911 1.520 17913 2363 1 11 . 1 1 5 5 ASP N N 5 121.274 121.274 122.737 -1.463 17913 2364 1 11 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.698 -0.183 17913 2365 1 11 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.082 1.540 17913 2366 1 11 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.301 -0.121 17913 2367 1 11 . 1 1 6 6 LEU N N 6 121.060 121.060 120.425 0.635 17913 2368 1 11 . 1 1 6 6 LEU HA H 6 4.256 4.256 3.883 0.373 17913 2369 1 11 . 1 1 6 6 LEU CA C 6 55.057 55.057 55.103 -0.046 17913 2370 1 11 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.270 0.440 17913 2371 1 11 . 1 1 7 7 PHE N N 7 119.312 119.312 113.601 5.711 17913 2372 1 11 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.700 0.152 17913 2373 1 11 . 1 1 7 7 PHE CA C 7 56.964 56.964 55.453 1.511 17913 2374 1 11 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.643 -0.146 17913 2375 1 11 . 1 1 8 8 SER N N 8 117.645 117.645 114.844 2.801 17913 2376 1 11 . 1 1 8 8 SER HA H 8 5.341 5.341 5.066 0.275 17913 2377 1 11 . 1 1 8 8 SER CA C 8 58.530 58.530 57.953 0.577 17913 2378 1 11 . 1 1 8 8 SER CB C 8 64.615 64.615 64.040 0.575 17913 2379 1 11 . 1 1 9 9 TYR N N 9 123.973 123.973 120.672 3.301 17913 2380 1 11 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.852 0.219 17913 2381 1 11 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.089 -0.466 17913 2382 1 11 . 1 1 9 9 TYR CB C 9 42.716 42.716 41.468 1.248 17913 2383 1 11 . 1 1 10 10 GLN N N 10 119.777 119.777 121.151 -1.374 17913 2384 1 11 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.225 0.224 17913 2385 1 11 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.601 -0.395 17913 2386 1 11 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.541 0.293 17913 2387 1 11 . 1 1 11 11 ALA N N 11 128.040 128.040 128.342 -0.302 17913 2388 1 11 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.456 0.218 17913 2389 1 11 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.100 1.698 17913 2390 1 11 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.944 -0.884 17913 2391 1 11 . 1 1 12 12 LEU N N 12 126.475 126.475 123.746 2.729 17913 2392 1 11 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.147 -0.188 17913 2393 1 11 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.606 -2.474 17913 2394 1 11 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.104 1.687 17913 2395 1 11 . 1 1 13 13 TYR N N 13 112.484 112.484 111.792 0.692 17913 2396 1 11 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.765 -0.012 17913 2397 1 11 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.056 -1.464 17913 2398 1 11 . 1 1 13 13 TYR CB C 13 42.569 42.569 40.248 2.321 17913 2399 1 11 . 1 1 14 14 SER N N 14 113.568 113.568 115.285 -1.717 17913 2400 1 11 . 1 1 14 14 SER HA H 14 4.397 4.397 4.713 -0.316 17913 2401 1 11 . 1 1 14 14 SER CA C 14 58.401 58.401 57.787 0.614 17913 2402 1 11 . 1 1 14 14 SER CB C 14 64.028 64.028 63.483 0.545 17913 2403 1 11 . 1 1 15 15 TYR N N 15 122.458 122.458 125.855 -3.397 17913 2404 1 11 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.775 -0.081 17913 2405 1 11 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.105 2.022 17913 2406 1 11 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.963 0.121 17913 2407 1 11 . 1 1 16 16 ILE N N 16 129.002 129.002 126.646 2.356 17913 2408 1 11 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.332 0.001 17913 2409 1 11 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.692 -0.332 17913 2410 1 11 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.715 0.284 17913 2411 1 11 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.543 -0.168 17913 2412 1 11 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.893 0.721 17913 2413 1 11 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.185 1.831 17913 2414 1 11 . 1 1 18 18 GLN N N 18 120.610 120.610 123.017 -2.407 17913 2415 1 11 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.063 0.263 17913 2416 1 11 . 1 1 18 18 GLN CA C 18 54.774 54.774 56.941 -2.167 17913 2417 1 11 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.557 1.310 17913 2418 1 11 . 1 1 19 19 ASN N N 19 114.130 114.130 116.127 -1.997 17913 2419 1 11 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.919 -0.042 17913 2420 1 11 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.134 -0.088 17913 2421 1 11 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.762 3.354 17913 2422 1 11 . 1 1 20 20 ASP N N 20 119.849 119.849 118.960 0.889 17913 2423 1 11 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.408 0.001 17913 2424 1 11 . 1 1 20 20 ASP CA C 20 56.761 56.761 56.202 0.559 17913 2425 1 11 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.701 -0.274 17913 2426 1 11 . 1 1 21 21 ASP N N 21 116.249 116.249 119.339 -3.090 17913 2427 1 11 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.637 0.079 17913 2428 1 11 . 1 1 21 21 ASP CA C 21 52.903 52.903 54.909 -2.006 17913 2429 1 11 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.271 -1.752 17913 2430 1 11 . 1 1 22 22 GLU N N 22 119.836 119.836 118.263 1.573 17913 2431 1 11 . 1 1 22 22 GLU HA H 22 5.306 5.306 4.918 0.388 17913 2432 1 11 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.928 -1.086 17913 2433 1 11 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.249 0.564 17913 2434 1 11 . 1 1 23 23 LEU N N 23 124.087 124.087 120.766 3.321 17913 2435 1 11 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.665 -0.314 17913 2436 1 11 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.419 -0.222 17913 2437 1 11 . 1 1 23 23 LEU CB C 23 45.612 45.612 45.292 0.320 17913 2438 1 11 . 1 1 24 24 GLU N N 24 122.201 122.201 124.383 -2.182 17913 2439 1 11 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.279 0.285 17913 2440 1 11 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.433 -0.235 17913 2441 1 11 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.046 -0.211 17913 2442 1 11 . 1 1 25 25 LEU N N 25 125.205 125.205 127.093 -1.888 17913 2443 1 11 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.688 -0.077 17913 2444 1 11 . 1 1 25 25 LEU CA C 25 53.546 53.546 53.038 0.508 17913 2445 1 11 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.395 0.719 17913 2446 1 11 . 1 1 26 26 ARG N N 26 124.847 124.847 124.897 -0.050 17913 2447 1 11 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.576 0.149 17913 2448 1 11 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.479 0.717 17913 2449 1 11 . 1 1 26 26 ARG CB C 26 32.565 32.565 32.985 -0.420 17913 2450 1 11 . 1 1 27 27 ASP N N 27 121.325 121.325 121.016 0.309 17913 2451 1 11 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.421 -0.992 17913 2452 1 11 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.306 0.744 17913 2453 1 11 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.215 -0.001 17913 2454 1 11 . 1 1 28 28 GLY N N 28 113.421 113.421 112.603 0.818 17913 2455 1 11 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.765 -0.876 17913 2456 1 11 . 1 1 29 29 ASP N N 29 122.317 122.317 119.660 2.657 17913 2457 1 11 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.799 -0.343 17913 2458 1 11 . 1 1 29 29 ASP CA C 29 55.528 55.528 52.893 2.635 17913 2459 1 11 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.288 -1.730 17913 2460 1 11 . 1 1 30 30 ILE N N 30 121.394 121.394 124.469 -3.075 17913 2461 1 11 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.189 -0.188 17913 2462 1 11 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.962 -0.072 17913 2463 1 11 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.270 -1.050 17913 2464 1 11 . 1 1 31 31 VAL N N 31 124.770 124.770 126.606 -1.836 17913 2465 1 11 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.928 -0.054 17913 2466 1 11 . 1 1 31 31 VAL CA C 31 58.941 58.941 59.194 -0.253 17913 2467 1 11 . 1 1 31 31 VAL CB C 31 35.084 35.084 36.639 -1.555 17913 2468 1 11 . 1 1 32 32 ASP N N 32 124.983 124.983 129.229 -4.246 17913 2469 1 11 . 1 1 32 32 ASP HA H 32 5.369 5.369 5.019 0.350 17913 2470 1 11 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.243 0.775 17913 2471 1 11 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.251 -1.926 17913 2472 1 11 . 1 1 33 33 VAL N N 33 127.010 127.010 124.664 2.346 17913 2473 1 11 . 1 1 33 33 VAL HA H 33 4.155 4.155 4.635 -0.480 17913 2474 1 11 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.954 2.274 17913 2475 1 11 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.538 0.724 17913 2476 1 11 . 1 1 34 34 MET N N 34 126.236 126.236 127.545 -1.309 17913 2477 1 11 . 1 1 34 34 MET HA H 34 4.646 4.646 4.441 0.205 17913 2478 1 11 . 1 1 34 34 MET CA C 34 56.039 56.039 56.607 -0.568 17913 2479 1 11 . 1 1 34 34 MET CB C 34 35.364 35.364 32.783 2.581 17913 2480 1 11 . 1 1 35 35 GLU N N 35 118.007 118.007 117.545 0.462 17913 2481 1 11 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.541 -0.067 17913 2482 1 11 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.298 0.258 17913 2483 1 11 . 1 1 35 35 GLU CB C 35 33.470 33.470 32.989 0.481 17913 2484 1 11 . 1 1 36 36 LYS N N 36 124.151 124.151 125.934 -1.783 17913 2485 1 11 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.824 -0.463 17913 2486 1 11 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.668 -0.091 17913 2487 1 11 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.809 -0.828 17913 2488 1 11 . 1 1 37 37 CYS N N 37 122.385 122.385 123.618 -1.233 17913 2489 1 11 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.727 -0.135 17913 2490 1 11 . 1 1 37 37 CYS CA C 37 58.377 58.377 57.578 0.799 17913 2491 1 11 . 1 1 37 37 CYS CB C 37 29.217 29.217 29.183 0.034 17913 2492 1 11 . 1 1 38 38 ASP N N 38 123.591 123.591 124.496 -0.905 17913 2493 1 11 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.290 0.065 17913 2494 1 11 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.840 -0.085 17913 2495 1 11 . 1 1 38 38 ASP CB C 38 40.300 40.300 40.611 -0.311 17913 2496 1 11 . 1 1 39 39 ASP N N 39 117.190 117.190 119.279 -2.089 17913 2497 1 11 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.276 0.196 17913 2498 1 11 . 1 1 39 39 ASP CA C 39 53.216 53.216 55.184 -1.968 17913 2499 1 11 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.827 -0.696 17913 2500 1 11 . 1 1 40 40 GLY N N 40 105.575 105.575 103.951 1.624 17913 2501 1 11 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.405 0.570 17913 2502 1 11 . 1 1 41 41 TRP N N 41 123.669 123.669 119.654 4.015 17913 2503 1 11 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.590 -0.533 17913 2504 1 11 . 1 1 41 41 TRP CA C 41 58.452 58.452 53.169 5.283 17913 2505 1 11 . 1 1 41 41 TRP CB C 41 27.230 27.230 29.730 -2.499 17913 2506 1 11 . 1 1 42 42 PHE N N 42 120.474 120.474 116.973 3.501 17913 2507 1 11 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.350 -0.008 17913 2508 1 11 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.414 -3.966 17913 2509 1 11 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.870 -1.240 17913 2510 1 11 . 1 1 43 43 VAL N N 43 121.847 121.847 119.402 2.445 17913 2511 1 11 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.179 0.444 17913 2512 1 11 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.949 -0.774 17913 2513 1 11 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.803 1.714 17913 2514 1 11 . 1 1 44 44 GLY N N 44 113.784 113.784 108.613 5.171 17913 2515 1 11 . 1 1 44 44 GLY CA C 44 46.888 46.888 45.053 1.835 17913 2516 1 11 . 1 1 45 45 THR N N 45 112.652 112.652 116.983 -4.331 17913 2517 1 11 . 1 1 45 45 THR HA H 45 5.506 5.506 5.172 0.334 17913 2518 1 11 . 1 1 45 45 THR CA C 45 60.396 60.396 61.270 -0.875 17913 2519 1 11 . 1 1 45 45 THR CB C 45 71.151 71.151 71.246 -0.095 17913 2520 1 11 . 1 1 46 46 SER N N 46 119.945 119.945 119.602 0.343 17913 2521 1 11 . 1 1 46 46 SER HA H 46 4.496 4.496 4.846 -0.350 17913 2522 1 11 . 1 1 46 46 SER CA C 46 57.007 57.007 56.027 0.980 17913 2523 1 11 . 1 1 46 46 SER CB C 46 63.816 63.816 64.346 -0.530 17913 2524 1 11 . 1 1 47 47 ARG N N 47 128.825 128.825 126.291 2.534 17913 2525 1 11 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.067 0.150 17913 2526 1 11 . 1 1 47 47 ARG CA C 47 59.482 59.482 58.788 0.695 17913 2527 1 11 . 1 1 47 47 ARG CB C 47 29.995 29.995 30.225 -0.230 17913 2528 1 11 . 1 1 48 48 ARG N N 48 118.813 118.813 119.311 -0.498 17913 2529 1 11 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.229 -0.013 17913 2530 1 11 . 1 1 48 48 ARG CA C 48 59.206 59.206 59.045 0.161 17913 2531 1 11 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.158 0.820 17913 2532 1 11 . 1 1 49 49 THR N N 49 105.015 105.015 111.601 -6.586 17913 2533 1 11 . 1 1 49 49 THR HA H 49 4.320 4.320 4.312 0.008 17913 2534 1 11 . 1 1 49 49 THR CA C 49 61.456 61.456 61.221 0.235 17913 2535 1 11 . 1 1 49 49 THR CB C 49 70.527 70.527 68.713 1.814 17913 2536 1 11 . 1 1 50 50 LYS N N 50 115.674 115.674 117.953 -2.279 17913 2537 1 11 . 1 1 50 50 LYS HA H 50 4.045 4.045 3.933 0.112 17913 2538 1 11 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.275 0.583 17913 2539 1 11 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.033 0.007 17913 2540 1 11 . 1 1 51 51 GLN N N 51 118.027 118.027 116.624 1.403 17913 2541 1 11 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.444 -0.042 17913 2542 1 11 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.581 0.996 17913 2543 1 11 . 1 1 51 51 GLN CB C 51 29.802 29.802 31.093 -1.291 17913 2544 1 11 . 1 1 52 52 PHE N N 52 122.149 122.149 119.915 2.234 17913 2545 1 11 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.403 0.174 17913 2546 1 11 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.923 -1.408 17913 2547 1 11 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.304 2.615 17913 2548 1 11 . 1 1 53 53 GLY N N 53 113.270 113.270 112.489 0.781 17913 2549 1 11 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.073 1.481 17913 2550 1 11 . 1 1 54 54 THR N N 54 113.615 113.615 116.682 -3.067 17913 2551 1 11 . 1 1 54 54 THR HA H 54 6.034 6.034 4.966 1.068 17913 2552 1 11 . 1 1 54 54 THR CA C 54 57.841 57.841 60.743 -2.902 17913 2553 1 11 . 1 1 54 54 THR CB C 54 71.605 71.605 70.123 1.482 17913 2554 1 11 . 1 1 55 55 PHE N N 55 123.708 123.708 120.557 3.151 17913 2555 1 11 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.898 -0.048 17913 2556 1 11 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.579 -0.527 17913 2557 1 11 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.193 -0.975 17913 2558 1 11 . 1 1 56 56 PRO HA H 56 2.269 2.269 4.419 -2.150 17913 2559 1 11 . 1 1 56 56 PRO CA C 56 61.844 61.844 63.823 -1.979 17913 2560 1 11 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.576 -0.530 17913 2561 1 11 . 1 1 57 57 GLY N N 57 112.583 112.583 109.433 3.150 17913 2562 1 11 . 1 1 57 57 GLY CA C 57 44.596 44.596 44.780 -0.184 17913 2563 1 11 . 1 1 58 58 ASN N N 58 112.820 112.820 116.438 -3.618 17913 2564 1 11 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.654 -0.031 17913 2565 1 11 . 1 1 58 58 ASN CA C 58 52.873 52.873 52.341 0.532 17913 2566 1 11 . 1 1 58 58 ASN CB C 58 35.033 35.033 38.367 -3.334 17913 2567 1 11 . 1 1 59 59 TYR N N 59 119.700 119.700 118.155 1.545 17913 2568 1 11 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.593 0.063 17913 2569 1 11 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.754 0.443 17913 2570 1 11 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.805 -3.304 17913 2571 1 11 . 1 1 60 60 VAL N N 60 108.984 108.984 118.766 -9.782 17913 2572 1 11 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.087 1.367 17913 2573 1 11 . 1 1 60 60 VAL CA C 60 58.191 58.191 60.203 -2.012 17913 2574 1 11 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.343 2.340 17913 2575 1 11 . 1 1 61 61 LYS N N 61 118.836 118.836 125.850 -7.014 17913 2576 1 11 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.063 0.184 17913 2577 1 11 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.897 -0.245 17913 2578 1 11 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.877 0.867 17913 2579 1 11 . 1 1 62 62 PRO HA H 62 3.516 3.516 4.139 -0.623 17913 2580 1 11 . 1 1 62 62 PRO CA C 62 62.930 62.930 63.071 -0.141 17913 2581 1 11 . 1 1 62 62 PRO CB C 62 31.833 31.833 32.080 -0.247 17913 2582 1 11 . 1 1 63 63 LEU N N 63 122.539 122.539 122.561 -0.022 17913 2583 1 11 . 1 1 63 63 LEU HA H 63 4.194 4.194 3.983 0.211 17913 2584 1 11 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.010 -0.321 17913 2585 1 11 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.536 1.232 17913 2586 1 12 . 1 1 2 2 THR N N 2 115.123 115.123 118.212 -3.089 17913 2587 1 12 . 1 1 2 2 THR HA H 2 4.359 4.359 3.883 0.476 17913 2588 1 12 . 1 1 2 2 THR CA C 2 61.918 61.918 63.682 -1.764 17913 2589 1 12 . 1 1 2 2 THR CB C 2 70.007 70.007 68.248 1.759 17913 2590 1 12 . 1 1 3 3 SER N N 3 117.860 117.860 118.418 -0.558 17913 2591 1 12 . 1 1 3 3 SER HA H 3 4.393 4.393 4.617 -0.224 17913 2592 1 12 . 1 1 3 3 SER CA C 3 58.538 58.538 57.928 0.609 17913 2593 1 12 . 1 1 3 3 SER CB C 3 63.865 63.865 64.177 -0.312 17913 2594 1 12 . 1 1 4 4 GLN N N 4 121.904 121.904 122.570 -0.666 17913 2595 1 12 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.165 0.122 17913 2596 1 12 . 1 1 4 4 GLN CA C 4 55.929 55.929 56.267 -0.338 17913 2597 1 12 . 1 1 4 4 GLN CB C 4 29.431 29.431 29.079 0.352 17913 2598 1 12 . 1 1 5 5 ASP N N 5 121.274 121.274 124.395 -3.121 17913 2599 1 12 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.597 -0.082 17913 2600 1 12 . 1 1 5 5 ASP CA C 5 54.622 54.622 54.214 0.408 17913 2601 1 12 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.988 -0.808 17913 2602 1 12 . 1 1 6 6 LEU N N 6 121.060 121.060 121.315 -0.255 17913 2603 1 12 . 1 1 6 6 LEU HA H 6 4.256 4.256 4.062 0.194 17913 2604 1 12 . 1 1 6 6 LEU CA C 6 55.057 55.057 53.987 1.070 17913 2605 1 12 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.944 -0.234 17913 2606 1 12 . 1 1 7 7 PHE N N 7 119.312 119.312 118.561 0.751 17913 2607 1 12 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.718 0.134 17913 2608 1 12 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.346 0.619 17913 2609 1 12 . 1 1 7 7 PHE CB C 7 40.497 40.497 39.523 0.974 17913 2610 1 12 . 1 1 8 8 SER N N 8 117.645 117.645 115.639 2.006 17913 2611 1 12 . 1 1 8 8 SER HA H 8 5.341 5.341 5.284 0.057 17913 2612 1 12 . 1 1 8 8 SER CA C 8 58.530 58.530 57.877 0.653 17913 2613 1 12 . 1 1 8 8 SER CB C 8 64.615 64.615 64.854 -0.239 17913 2614 1 12 . 1 1 9 9 TYR N N 9 123.973 123.973 120.900 3.073 17913 2615 1 12 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.748 0.323 17913 2616 1 12 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.333 -0.710 17913 2617 1 12 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.452 0.264 17913 2618 1 12 . 1 1 10 10 GLN N N 10 119.777 119.777 120.924 -1.147 17913 2619 1 12 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.222 0.227 17913 2620 1 12 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.681 -0.475 17913 2621 1 12 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.647 0.187 17913 2622 1 12 . 1 1 11 11 ALA N N 11 128.040 128.040 128.490 -0.450 17913 2623 1 12 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.494 0.180 17913 2624 1 12 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.114 1.684 17913 2625 1 12 . 1 1 11 11 ALA CB C 11 19.060 19.060 20.027 -0.967 17913 2626 1 12 . 1 1 12 12 LEU N N 12 126.475 126.475 123.484 2.991 17913 2627 1 12 . 1 1 12 12 LEU HA H 12 3.959 3.959 3.909 0.050 17913 2628 1 12 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.343 -2.211 17913 2629 1 12 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.005 1.786 17913 2630 1 12 . 1 1 13 13 TYR N N 13 112.484 112.484 114.678 -2.194 17913 2631 1 12 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.758 -0.005 17913 2632 1 12 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.906 -2.314 17913 2633 1 12 . 1 1 13 13 TYR CB C 13 42.569 42.569 41.602 0.967 17913 2634 1 12 . 1 1 14 14 SER N N 14 113.568 113.568 116.511 -2.943 17913 2635 1 12 . 1 1 14 14 SER HA H 14 4.397 4.397 4.678 -0.281 17913 2636 1 12 . 1 1 14 14 SER CA C 14 58.401 58.401 58.600 -0.199 17913 2637 1 12 . 1 1 14 14 SER CB C 14 64.028 64.028 63.623 0.405 17913 2638 1 12 . 1 1 15 15 TYR N N 15 122.458 122.458 127.521 -5.063 17913 2639 1 12 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.695 -0.001 17913 2640 1 12 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.666 1.461 17913 2641 1 12 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.196 0.888 17913 2642 1 12 . 1 1 16 16 ILE N N 16 129.002 129.002 129.177 -0.175 17913 2643 1 12 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.254 0.079 17913 2644 1 12 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.073 0.287 17913 2645 1 12 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.583 0.415 17913 2646 1 12 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.584 -0.209 17913 2647 1 12 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.943 0.671 17913 2648 1 12 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.020 1.996 17913 2649 1 12 . 1 1 18 18 GLN N N 18 120.610 120.610 122.926 -2.316 17913 2650 1 12 . 1 1 18 18 GLN HA H 18 4.326 4.326 3.989 0.337 17913 2651 1 12 . 1 1 18 18 GLN CA C 18 54.774 54.774 57.717 -2.942 17913 2652 1 12 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.212 1.655 17913 2653 1 12 . 1 1 19 19 ASN N N 19 114.130 114.130 114.995 -0.865 17913 2654 1 12 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.897 -0.020 17913 2655 1 12 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.161 -0.115 17913 2656 1 12 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.580 3.536 17913 2657 1 12 . 1 1 20 20 ASP N N 20 119.849 119.849 120.005 -0.156 17913 2658 1 12 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.542 -0.133 17913 2659 1 12 . 1 1 20 20 ASP CA C 20 56.761 56.761 55.560 1.201 17913 2660 1 12 . 1 1 20 20 ASP CB C 20 40.427 40.427 41.186 -0.759 17913 2661 1 12 . 1 1 21 21 ASP N N 21 116.249 116.249 117.715 -1.466 17913 2662 1 12 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.452 0.264 17913 2663 1 12 . 1 1 21 21 ASP CA C 21 52.903 52.903 56.338 -3.435 17913 2664 1 12 . 1 1 21 21 ASP CB C 21 39.519 39.519 40.844 -1.325 17913 2665 1 12 . 1 1 22 22 GLU N N 22 119.836 119.836 118.234 1.602 17913 2666 1 12 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.040 0.266 17913 2667 1 12 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.743 -0.902 17913 2668 1 12 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.184 0.629 17913 2669 1 12 . 1 1 23 23 LEU N N 23 124.087 124.087 121.835 2.252 17913 2670 1 12 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.596 -0.245 17913 2671 1 12 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.777 -0.580 17913 2672 1 12 . 1 1 23 23 LEU CB C 23 45.612 45.612 43.895 1.717 17913 2673 1 12 . 1 1 24 24 GLU N N 24 122.201 122.201 125.304 -3.103 17913 2674 1 12 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.472 0.092 17913 2675 1 12 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.428 -0.230 17913 2676 1 12 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.013 -0.178 17913 2677 1 12 . 1 1 25 25 LEU N N 25 125.205 125.205 127.811 -2.606 17913 2678 1 12 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.683 -0.072 17913 2679 1 12 . 1 1 25 25 LEU CA C 25 53.546 53.546 52.961 0.585 17913 2680 1 12 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.952 0.162 17913 2681 1 12 . 1 1 26 26 ARG N N 26 124.847 124.847 125.486 -0.639 17913 2682 1 12 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.730 -0.005 17913 2683 1 12 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.531 0.665 17913 2684 1 12 . 1 1 26 26 ARG CB C 26 32.565 32.565 32.736 -0.172 17913 2685 1 12 . 1 1 27 27 ASP N N 27 121.325 121.325 121.997 -0.672 17913 2686 1 12 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.324 -0.895 17913 2687 1 12 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.250 0.800 17913 2688 1 12 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.666 -0.452 17913 2689 1 12 . 1 1 28 28 GLY N N 28 113.421 113.421 111.584 1.837 17913 2690 1 12 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.816 -0.927 17913 2691 1 12 . 1 1 29 29 ASP N N 29 122.317 122.317 119.224 3.093 17913 2692 1 12 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.748 -0.292 17913 2693 1 12 . 1 1 29 29 ASP CA C 29 55.528 55.528 52.973 2.555 17913 2694 1 12 . 1 1 29 29 ASP CB C 29 41.558 41.558 42.905 -1.347 17913 2695 1 12 . 1 1 30 30 ILE N N 30 121.394 121.394 124.779 -3.385 17913 2696 1 12 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.164 -0.163 17913 2697 1 12 . 1 1 30 30 ILE CA C 30 59.890 59.890 60.021 -0.131 17913 2698 1 12 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.168 -0.948 17913 2699 1 12 . 1 1 31 31 VAL N N 31 124.770 124.770 127.482 -2.712 17913 2700 1 12 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.797 0.077 17913 2701 1 12 . 1 1 31 31 VAL CA C 31 58.941 58.941 59.407 -0.466 17913 2702 1 12 . 1 1 31 31 VAL CB C 31 35.084 35.084 36.579 -1.495 17913 2703 1 12 . 1 1 32 32 ASP N N 32 124.983 124.983 127.965 -2.982 17913 2704 1 12 . 1 1 32 32 ASP HA H 32 5.369 5.369 5.006 0.363 17913 2705 1 12 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.550 0.468 17913 2706 1 12 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.425 -2.100 17913 2707 1 12 . 1 1 33 33 VAL N N 33 127.010 127.010 125.114 1.896 17913 2708 1 12 . 1 1 33 33 VAL HA H 33 4.155 4.155 4.827 -0.672 17913 2709 1 12 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.346 2.882 17913 2710 1 12 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.308 0.954 17913 2711 1 12 . 1 1 34 34 MET N N 34 126.236 126.236 126.187 0.049 17913 2712 1 12 . 1 1 34 34 MET HA H 34 4.646 4.646 4.561 0.085 17913 2713 1 12 . 1 1 34 34 MET CA C 34 56.039 56.039 55.834 0.205 17913 2714 1 12 . 1 1 34 34 MET CB C 34 35.364 35.364 32.713 2.651 17913 2715 1 12 . 1 1 35 35 GLU N N 35 118.007 118.007 118.816 -0.809 17913 2716 1 12 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.578 -0.104 17913 2717 1 12 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.497 0.059 17913 2718 1 12 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.206 0.264 17913 2719 1 12 . 1 1 36 36 LYS N N 36 124.151 124.151 126.780 -2.629 17913 2720 1 12 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.854 -0.493 17913 2721 1 12 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.237 0.340 17913 2722 1 12 . 1 1 36 36 LYS CB C 36 32.981 32.981 32.559 0.422 17913 2723 1 12 . 1 1 37 37 CYS N N 37 122.385 122.385 124.977 -2.592 17913 2724 1 12 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.576 0.016 17913 2725 1 12 . 1 1 37 37 CYS CA C 37 58.377 58.377 58.949 -0.572 17913 2726 1 12 . 1 1 37 37 CYS CB C 37 29.217 29.217 30.262 -1.045 17913 2727 1 12 . 1 1 38 38 ASP N N 38 123.591 123.591 125.656 -2.065 17913 2728 1 12 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.392 -0.037 17913 2729 1 12 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.761 -0.006 17913 2730 1 12 . 1 1 38 38 ASP CB C 38 40.300 40.300 40.673 -0.373 17913 2731 1 12 . 1 1 39 39 ASP N N 39 117.190 117.190 117.779 -0.589 17913 2732 1 12 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.248 0.224 17913 2733 1 12 . 1 1 39 39 ASP CA C 39 53.216 53.216 53.816 -0.600 17913 2734 1 12 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.028 0.102 17913 2735 1 12 . 1 1 40 40 GLY N N 40 105.575 105.575 104.994 0.581 17913 2736 1 12 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.502 0.473 17913 2737 1 12 . 1 1 41 41 TRP N N 41 123.669 123.669 117.269 6.400 17913 2738 1 12 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.648 -0.591 17913 2739 1 12 . 1 1 41 41 TRP CA C 41 58.452 58.452 53.546 4.906 17913 2740 1 12 . 1 1 41 41 TRP CB C 41 27.230 27.230 30.613 -3.383 17913 2741 1 12 . 1 1 42 42 PHE N N 42 120.474 120.474 116.588 3.886 17913 2742 1 12 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.425 -0.083 17913 2743 1 12 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.243 -3.796 17913 2744 1 12 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.999 -1.369 17913 2745 1 12 . 1 1 43 43 VAL N N 43 121.847 121.847 119.105 2.742 17913 2746 1 12 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.165 0.458 17913 2747 1 12 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.700 -0.525 17913 2748 1 12 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.518 2.000 17913 2749 1 12 . 1 1 44 44 GLY N N 44 113.784 113.784 109.842 3.942 17913 2750 1 12 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.752 2.136 17913 2751 1 12 . 1 1 45 45 THR N N 45 112.652 112.652 117.693 -5.041 17913 2752 1 12 . 1 1 45 45 THR HA H 45 5.506 5.506 5.161 0.345 17913 2753 1 12 . 1 1 45 45 THR CA C 45 60.396 60.396 61.355 -0.959 17913 2754 1 12 . 1 1 45 45 THR CB C 45 71.151 71.151 70.703 0.448 17913 2755 1 12 . 1 1 46 46 SER N N 46 119.945 119.945 119.553 0.392 17913 2756 1 12 . 1 1 46 46 SER HA H 46 4.496 4.496 4.708 -0.212 17913 2757 1 12 . 1 1 46 46 SER CA C 46 57.007 57.007 56.051 0.956 17913 2758 1 12 . 1 1 46 46 SER CB C 46 63.816 63.816 64.389 -0.573 17913 2759 1 12 . 1 1 47 47 ARG N N 47 128.825 128.825 126.877 1.948 17913 2760 1 12 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.135 0.082 17913 2761 1 12 . 1 1 47 47 ARG CA C 47 59.482 59.482 58.307 1.175 17913 2762 1 12 . 1 1 47 47 ARG CB C 47 29.995 29.995 30.109 -0.114 17913 2763 1 12 . 1 1 48 48 ARG N N 48 118.813 118.813 118.310 0.503 17913 2764 1 12 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.197 0.019 17913 2765 1 12 . 1 1 48 48 ARG CA C 48 59.206 59.206 58.900 0.306 17913 2766 1 12 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.541 0.437 17913 2767 1 12 . 1 1 49 49 THR N N 49 105.015 105.015 109.840 -4.825 17913 2768 1 12 . 1 1 49 49 THR HA H 49 4.320 4.320 4.382 -0.062 17913 2769 1 12 . 1 1 49 49 THR CA C 49 61.456 61.456 61.514 -0.058 17913 2770 1 12 . 1 1 49 49 THR CB C 49 70.527 70.527 69.381 1.146 17913 2771 1 12 . 1 1 50 50 LYS N N 50 115.674 115.674 117.918 -2.244 17913 2772 1 12 . 1 1 50 50 LYS HA H 50 4.045 4.045 3.927 0.118 17913 2773 1 12 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.223 0.635 17913 2774 1 12 . 1 1 50 50 LYS CB C 50 29.040 29.040 28.854 0.186 17913 2775 1 12 . 1 1 51 51 GLN N N 51 118.027 118.027 115.519 2.508 17913 2776 1 12 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.516 -0.114 17913 2777 1 12 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.854 0.723 17913 2778 1 12 . 1 1 51 51 GLN CB C 51 29.802 29.802 30.478 -0.676 17913 2779 1 12 . 1 1 52 52 PHE N N 52 122.149 122.149 120.358 1.791 17913 2780 1 12 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.512 0.065 17913 2781 1 12 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.809 -1.294 17913 2782 1 12 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.776 2.143 17913 2783 1 12 . 1 1 53 53 GLY N N 53 113.270 113.270 112.710 0.560 17913 2784 1 12 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.193 1.361 17913 2785 1 12 . 1 1 54 54 THR N N 54 113.615 113.615 117.520 -3.905 17913 2786 1 12 . 1 1 54 54 THR HA H 54 6.034 6.034 5.121 0.913 17913 2787 1 12 . 1 1 54 54 THR CA C 54 57.841 57.841 60.546 -2.705 17913 2788 1 12 . 1 1 54 54 THR CB C 54 71.605 71.605 70.172 1.433 17913 2789 1 12 . 1 1 55 55 PHE N N 55 123.708 123.708 121.591 2.117 17913 2790 1 12 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.902 -0.052 17913 2791 1 12 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.437 -0.385 17913 2792 1 12 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.427 -1.209 17913 2793 1 12 . 1 1 56 56 PRO HA H 56 2.269 2.269 4.328 -2.059 17913 2794 1 12 . 1 1 56 56 PRO CA C 56 61.844 61.844 63.212 -1.368 17913 2795 1 12 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.665 -0.620 17913 2796 1 12 . 1 1 57 57 GLY N N 57 112.583 112.583 109.954 2.629 17913 2797 1 12 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.367 -0.771 17913 2798 1 12 . 1 1 58 58 ASN N N 58 112.820 112.820 117.984 -5.164 17913 2799 1 12 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.765 -0.142 17913 2800 1 12 . 1 1 58 58 ASN CA C 58 52.873 52.873 53.158 -0.285 17913 2801 1 12 . 1 1 58 58 ASN CB C 58 35.033 35.033 37.704 -2.671 17913 2802 1 12 . 1 1 59 59 TYR N N 59 119.700 119.700 118.724 0.976 17913 2803 1 12 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.730 -0.074 17913 2804 1 12 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.594 0.603 17913 2805 1 12 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.683 -3.182 17913 2806 1 12 . 1 1 60 60 VAL N N 60 108.984 108.984 118.810 -9.826 17913 2807 1 12 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.220 1.234 17913 2808 1 12 . 1 1 60 60 VAL CA C 60 58.191 58.191 60.206 -2.015 17913 2809 1 12 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.441 2.241 17913 2810 1 12 . 1 1 61 61 LYS N N 61 118.836 118.836 125.317 -6.481 17913 2811 1 12 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.058 0.189 17913 2812 1 12 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.920 -0.268 17913 2813 1 12 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.951 0.793 17913 2814 1 12 . 1 1 62 62 PRO HA H 62 3.516 3.516 3.886 -0.370 17913 2815 1 12 . 1 1 62 62 PRO CA C 62 62.930 62.930 63.072 -0.142 17913 2816 1 12 . 1 1 62 62 PRO CB C 62 31.833 31.833 32.007 -0.174 17913 2817 1 12 . 1 1 63 63 LEU N N 63 122.539 122.539 121.757 0.782 17913 2818 1 12 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.135 0.059 17913 2819 1 12 . 1 1 63 63 LEU CA C 63 54.689 54.689 54.526 0.163 17913 2820 1 12 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.978 0.790 17913 2821 1 13 . 1 1 2 2 THR N N 2 115.123 115.123 114.350 0.773 17913 2822 1 13 . 1 1 2 2 THR HA H 2 4.359 4.359 3.962 0.397 17913 2823 1 13 . 1 1 2 2 THR CA C 2 61.918 61.918 63.283 -1.365 17913 2824 1 13 . 1 1 2 2 THR CB C 2 70.007 70.007 67.858 2.149 17913 2825 1 13 . 1 1 3 3 SER N N 3 117.860 117.860 115.044 2.816 17913 2826 1 13 . 1 1 3 3 SER HA H 3 4.393 4.393 4.601 -0.208 17913 2827 1 13 . 1 1 3 3 SER CA C 3 58.538 58.538 56.952 1.586 17913 2828 1 13 . 1 1 3 3 SER CB C 3 63.865 63.865 65.002 -1.137 17913 2829 1 13 . 1 1 4 4 GLN N N 4 121.904 121.904 121.517 0.387 17913 2830 1 13 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.284 0.003 17913 2831 1 13 . 1 1 4 4 GLN CA C 4 55.929 55.929 56.235 -0.306 17913 2832 1 13 . 1 1 4 4 GLN CB C 4 29.431 29.431 29.332 0.099 17913 2833 1 13 . 1 1 5 5 ASP N N 5 121.274 121.274 124.340 -3.066 17913 2834 1 13 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.554 -0.039 17913 2835 1 13 . 1 1 5 5 ASP CA C 5 54.622 54.622 54.470 0.152 17913 2836 1 13 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.589 -0.409 17913 2837 1 13 . 1 1 6 6 LEU N N 6 121.060 121.060 121.988 -0.928 17913 2838 1 13 . 1 1 6 6 LEU HA H 6 4.256 4.256 4.127 0.129 17913 2839 1 13 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.428 0.628 17913 2840 1 13 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.800 -0.090 17913 2841 1 13 . 1 1 7 7 PHE N N 7 119.312 119.312 117.608 1.704 17913 2842 1 13 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.640 0.212 17913 2843 1 13 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.984 -0.020 17913 2844 1 13 . 1 1 7 7 PHE CB C 7 40.497 40.497 39.322 1.175 17913 2845 1 13 . 1 1 8 8 SER N N 8 117.645 117.645 115.735 1.910 17913 2846 1 13 . 1 1 8 8 SER HA H 8 5.341 5.341 5.676 -0.335 17913 2847 1 13 . 1 1 8 8 SER CA C 8 58.530 58.530 56.878 1.652 17913 2848 1 13 . 1 1 8 8 SER CB C 8 64.615 64.615 66.402 -1.787 17913 2849 1 13 . 1 1 9 9 TYR N N 9 123.973 123.973 120.624 3.349 17913 2850 1 13 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.811 0.260 17913 2851 1 13 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.322 -0.699 17913 2852 1 13 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.848 -0.132 17913 2853 1 13 . 1 1 10 10 GLN N N 10 119.777 119.777 121.167 -1.390 17913 2854 1 13 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.443 0.006 17913 2855 1 13 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.405 -0.199 17913 2856 1 13 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.741 0.093 17913 2857 1 13 . 1 1 11 11 ALA N N 11 128.040 128.040 128.763 -0.723 17913 2858 1 13 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.511 0.163 17913 2859 1 13 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.201 1.597 17913 2860 1 13 . 1 1 11 11 ALA CB C 11 19.060 19.060 20.041 -0.981 17913 2861 1 13 . 1 1 12 12 LEU N N 12 126.475 126.475 123.977 2.498 17913 2862 1 13 . 1 1 12 12 LEU HA H 12 3.959 3.959 3.888 0.071 17913 2863 1 13 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.363 -2.231 17913 2864 1 13 . 1 1 12 12 LEU CB C 12 43.791 43.791 41.968 1.823 17913 2865 1 13 . 1 1 13 13 TYR N N 13 112.484 112.484 113.690 -1.206 17913 2866 1 13 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.722 0.031 17913 2867 1 13 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.691 -2.099 17913 2868 1 13 . 1 1 13 13 TYR CB C 13 42.569 42.569 41.546 1.023 17913 2869 1 13 . 1 1 14 14 SER N N 14 113.568 113.568 117.724 -4.156 17913 2870 1 13 . 1 1 14 14 SER HA H 14 4.397 4.397 4.519 -0.122 17913 2871 1 13 . 1 1 14 14 SER CA C 14 58.401 58.401 58.992 -0.591 17913 2872 1 13 . 1 1 14 14 SER CB C 14 64.028 64.028 63.556 0.472 17913 2873 1 13 . 1 1 15 15 TYR N N 15 122.458 122.458 127.756 -5.298 17913 2874 1 13 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.741 -0.047 17913 2875 1 13 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.472 1.655 17913 2876 1 13 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.407 0.676 17913 2877 1 13 . 1 1 16 16 ILE N N 16 129.002 129.002 127.937 1.065 17913 2878 1 13 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.355 -0.022 17913 2879 1 13 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.729 -0.369 17913 2880 1 13 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.345 0.653 17913 2881 1 13 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.592 -0.217 17913 2882 1 13 . 1 1 17 17 PRO CA C 17 63.614 63.614 63.032 0.582 17913 2883 1 13 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.280 1.736 17913 2884 1 13 . 1 1 18 18 GLN N N 18 120.610 120.610 122.799 -2.189 17913 2885 1 13 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.191 0.135 17913 2886 1 13 . 1 1 18 18 GLN CA C 18 54.774 54.774 56.775 -2.001 17913 2887 1 13 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.644 1.223 17913 2888 1 13 . 1 1 19 19 ASN N N 19 114.130 114.130 118.074 -3.944 17913 2889 1 13 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.984 -0.107 17913 2890 1 13 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.102 -0.056 17913 2891 1 13 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.517 3.599 17913 2892 1 13 . 1 1 20 20 ASP N N 20 119.849 119.849 119.972 -0.123 17913 2893 1 13 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.546 -0.137 17913 2894 1 13 . 1 1 20 20 ASP CA C 20 56.761 56.761 55.729 1.032 17913 2895 1 13 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.757 -0.330 17913 2896 1 13 . 1 1 21 21 ASP N N 21 116.249 116.249 117.690 -1.441 17913 2897 1 13 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.637 0.079 17913 2898 1 13 . 1 1 21 21 ASP CA C 21 52.903 52.903 54.909 -2.006 17913 2899 1 13 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.052 -1.533 17913 2900 1 13 . 1 1 22 22 GLU N N 22 119.836 119.836 119.006 0.830 17913 2901 1 13 . 1 1 22 22 GLU HA H 22 5.306 5.306 4.897 0.409 17913 2902 1 13 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.861 -1.020 17913 2903 1 13 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.323 0.490 17913 2904 1 13 . 1 1 23 23 LEU N N 23 124.087 124.087 120.764 3.323 17913 2905 1 13 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.639 -0.288 17913 2906 1 13 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.300 -0.103 17913 2907 1 13 . 1 1 23 23 LEU CB C 23 45.612 45.612 45.317 0.295 17913 2908 1 13 . 1 1 24 24 GLU N N 24 122.201 122.201 124.747 -2.546 17913 2909 1 13 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.445 0.119 17913 2910 1 13 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.545 -0.347 17913 2911 1 13 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.005 -0.170 17913 2912 1 13 . 1 1 25 25 LEU N N 25 125.205 125.205 127.991 -2.786 17913 2913 1 13 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.672 -0.061 17913 2914 1 13 . 1 1 25 25 LEU CA C 25 53.546 53.546 52.761 0.785 17913 2915 1 13 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.864 0.250 17913 2916 1 13 . 1 1 26 26 ARG N N 26 124.847 124.847 124.983 -0.136 17913 2917 1 13 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.651 0.074 17913 2918 1 13 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.540 0.656 17913 2919 1 13 . 1 1 26 26 ARG CB C 26 32.565 32.565 33.946 -1.381 17913 2920 1 13 . 1 1 27 27 ASP N N 27 121.325 121.325 120.544 0.781 17913 2921 1 13 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.217 -0.788 17913 2922 1 13 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.327 0.723 17913 2923 1 13 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.742 -0.528 17913 2924 1 13 . 1 1 28 28 GLY N N 28 113.421 113.421 110.741 2.680 17913 2925 1 13 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.304 -0.415 17913 2926 1 13 . 1 1 29 29 ASP N N 29 122.317 122.317 119.337 2.980 17913 2927 1 13 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.939 -0.483 17913 2928 1 13 . 1 1 29 29 ASP CA C 29 55.528 55.528 51.843 3.685 17913 2929 1 13 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.866 -2.308 17913 2930 1 13 . 1 1 30 30 ILE N N 30 121.394 121.394 123.225 -1.831 17913 2931 1 13 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.465 -0.464 17913 2932 1 13 . 1 1 30 30 ILE CA C 30 59.890 59.890 60.398 -0.508 17913 2933 1 13 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.858 -1.639 17913 2934 1 13 . 1 1 31 31 VAL N N 31 124.770 124.770 127.855 -3.085 17913 2935 1 13 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.597 0.277 17913 2936 1 13 . 1 1 31 31 VAL CA C 31 58.941 58.941 60.290 -1.349 17913 2937 1 13 . 1 1 31 31 VAL CB C 31 35.084 35.084 36.135 -1.051 17913 2938 1 13 . 1 1 32 32 ASP N N 32 124.983 124.983 128.284 -3.301 17913 2939 1 13 . 1 1 32 32 ASP HA H 32 5.369 5.369 4.954 0.415 17913 2940 1 13 . 1 1 32 32 ASP CA C 32 54.018 54.018 52.716 1.302 17913 2941 1 13 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.165 -1.840 17913 2942 1 13 . 1 1 33 33 VAL N N 33 127.010 127.010 126.595 0.415 17913 2943 1 13 . 1 1 33 33 VAL HA H 33 4.155 4.155 5.208 -1.053 17913 2944 1 13 . 1 1 33 33 VAL CA C 33 64.228 64.228 60.996 3.232 17913 2945 1 13 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.182 1.080 17913 2946 1 13 . 1 1 34 34 MET N N 34 126.236 126.236 127.353 -1.117 17913 2947 1 13 . 1 1 34 34 MET HA H 34 4.646 4.646 4.501 0.145 17913 2948 1 13 . 1 1 34 34 MET CA C 34 56.039 56.039 55.561 0.478 17913 2949 1 13 . 1 1 34 34 MET CB C 34 35.364 35.364 32.804 2.560 17913 2950 1 13 . 1 1 35 35 GLU N N 35 118.007 118.007 118.747 -0.740 17913 2951 1 13 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.567 -0.093 17913 2952 1 13 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.826 -0.270 17913 2953 1 13 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.414 0.056 17913 2954 1 13 . 1 1 36 36 LYS N N 36 124.151 124.151 125.479 -1.328 17913 2955 1 13 . 1 1 36 36 LYS HA H 36 4.361 4.361 5.140 -0.779 17913 2956 1 13 . 1 1 36 36 LYS CA C 36 55.577 55.577 54.728 0.849 17913 2957 1 13 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.142 -0.161 17913 2958 1 13 . 1 1 37 37 CYS N N 37 122.385 122.385 124.930 -2.545 17913 2959 1 13 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.559 0.033 17913 2960 1 13 . 1 1 37 37 CYS CA C 37 58.377 58.377 59.221 -0.844 17913 2961 1 13 . 1 1 37 37 CYS CB C 37 29.217 29.217 29.942 -0.725 17913 2962 1 13 . 1 1 38 38 ASP N N 38 123.591 123.591 124.631 -1.040 17913 2963 1 13 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.364 -0.009 17913 2964 1 13 . 1 1 38 38 ASP CA C 38 56.755 56.755 57.431 -0.676 17913 2965 1 13 . 1 1 38 38 ASP CB C 38 40.300 40.300 40.785 -0.485 17913 2966 1 13 . 1 1 39 39 ASP N N 39 117.190 117.190 117.534 -0.344 17913 2967 1 13 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.582 -0.110 17913 2968 1 13 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.081 -0.865 17913 2969 1 13 . 1 1 39 39 ASP CB C 39 40.130 40.130 41.325 -1.196 17913 2970 1 13 . 1 1 40 40 GLY N N 40 105.575 105.575 107.150 -1.575 17913 2971 1 13 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.425 0.550 17913 2972 1 13 . 1 1 41 41 TRP N N 41 123.669 123.669 121.139 2.530 17913 2973 1 13 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.408 -0.351 17913 2974 1 13 . 1 1 41 41 TRP CA C 41 58.452 58.452 55.336 3.116 17913 2975 1 13 . 1 1 41 41 TRP CB C 41 27.230 27.230 28.896 -1.667 17913 2976 1 13 . 1 1 42 42 PHE N N 42 120.474 120.474 121.001 -0.527 17913 2977 1 13 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.508 -0.166 17913 2978 1 13 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.563 -4.115 17913 2979 1 13 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.357 -0.727 17913 2980 1 13 . 1 1 43 43 VAL N N 43 121.847 121.847 119.270 2.577 17913 2981 1 13 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.273 0.350 17913 2982 1 13 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.799 -0.624 17913 2983 1 13 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.687 1.831 17913 2984 1 13 . 1 1 44 44 GLY N N 44 113.784 113.784 109.935 3.849 17913 2985 1 13 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.842 2.046 17913 2986 1 13 . 1 1 45 45 THR N N 45 112.652 112.652 117.766 -5.114 17913 2987 1 13 . 1 1 45 45 THR HA H 45 5.506 5.506 5.286 0.220 17913 2988 1 13 . 1 1 45 45 THR CA C 45 60.396 60.396 61.972 -1.576 17913 2989 1 13 . 1 1 45 45 THR CB C 45 71.151 71.151 70.693 0.458 17913 2990 1 13 . 1 1 46 46 SER N N 46 119.945 119.945 120.067 -0.122 17913 2991 1 13 . 1 1 46 46 SER HA H 46 4.496 4.496 4.764 -0.268 17913 2992 1 13 . 1 1 46 46 SER CA C 46 57.007 57.007 57.497 -0.490 17913 2993 1 13 . 1 1 46 46 SER CB C 46 63.816 63.816 64.391 -0.575 17913 2994 1 13 . 1 1 47 47 ARG N N 47 128.825 128.825 127.794 1.031 17913 2995 1 13 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.176 0.041 17913 2996 1 13 . 1 1 47 47 ARG CA C 47 59.482 59.482 57.802 1.680 17913 2997 1 13 . 1 1 47 47 ARG CB C 47 29.995 29.995 29.890 0.105 17913 2998 1 13 . 1 1 48 48 ARG N N 48 118.813 118.813 119.206 -0.393 17913 2999 1 13 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.258 -0.042 17913 3000 1 13 . 1 1 48 48 ARG CA C 48 59.206 59.206 59.274 -0.068 17913 3001 1 13 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.165 0.813 17913 3002 1 13 . 1 1 49 49 THR N N 49 105.015 105.015 110.655 -5.640 17913 3003 1 13 . 1 1 49 49 THR HA H 49 4.320 4.320 4.384 -0.064 17913 3004 1 13 . 1 1 49 49 THR CA C 49 61.456 61.456 61.329 0.127 17913 3005 1 13 . 1 1 49 49 THR CB C 49 70.527 70.527 68.752 1.775 17913 3006 1 13 . 1 1 50 50 LYS N N 50 115.674 115.674 117.567 -1.893 17913 3007 1 13 . 1 1 50 50 LYS HA H 50 4.045 4.045 4.140 -0.095 17913 3008 1 13 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.616 0.242 17913 3009 1 13 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.631 -0.591 17913 3010 1 13 . 1 1 51 51 GLN N N 51 118.027 118.027 116.090 1.937 17913 3011 1 13 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.532 -0.130 17913 3012 1 13 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.463 1.114 17913 3013 1 13 . 1 1 51 51 GLN CB C 51 29.802 29.802 31.497 -1.695 17913 3014 1 13 . 1 1 52 52 PHE N N 52 122.149 122.149 118.234 3.915 17913 3015 1 13 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.771 -0.194 17913 3016 1 13 . 1 1 52 52 PHE CA C 52 55.515 55.515 55.291 0.224 17913 3017 1 13 . 1 1 52 52 PHE CB C 52 42.919 42.919 41.290 1.629 17913 3018 1 13 . 1 1 53 53 GLY N N 53 113.270 113.270 114.023 -0.753 17913 3019 1 13 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.390 1.164 17913 3020 1 13 . 1 1 54 54 THR N N 54 113.615 113.615 116.820 -3.205 17913 3021 1 13 . 1 1 54 54 THR HA H 54 6.034 6.034 5.072 0.962 17913 3022 1 13 . 1 1 54 54 THR CA C 54 57.841 57.841 60.639 -2.798 17913 3023 1 13 . 1 1 54 54 THR CB C 54 71.605 71.605 70.554 1.051 17913 3024 1 13 . 1 1 55 55 PHE N N 55 123.708 123.708 121.918 1.790 17913 3025 1 13 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.951 -0.101 17913 3026 1 13 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.411 -0.359 17913 3027 1 13 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.508 -1.290 17913 3028 1 13 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.357 -1.088 17913 3029 1 13 . 1 1 56 56 PRO CA C 56 61.844 61.844 62.747 -0.903 17913 3030 1 13 . 1 1 56 56 PRO CB C 56 31.045 31.045 30.927 0.118 17913 3031 1 13 . 1 1 57 57 GLY N N 57 112.583 112.583 109.470 3.113 17913 3032 1 13 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.542 -0.946 17913 3033 1 13 . 1 1 58 58 ASN N N 58 112.820 112.820 115.468 -2.648 17913 3034 1 13 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.506 0.117 17913 3035 1 13 . 1 1 58 58 ASN CA C 58 52.873 52.873 53.345 -0.472 17913 3036 1 13 . 1 1 58 58 ASN CB C 58 35.033 35.033 37.596 -2.563 17913 3037 1 13 . 1 1 59 59 TYR N N 59 119.700 119.700 119.134 0.566 17913 3038 1 13 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.673 -0.017 17913 3039 1 13 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.398 0.799 17913 3040 1 13 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.342 -2.841 17913 3041 1 13 . 1 1 60 60 VAL N N 60 108.984 108.984 118.612 -9.628 17913 3042 1 13 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.233 1.221 17913 3043 1 13 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.790 -1.599 17913 3044 1 13 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.766 1.916 17913 3045 1 13 . 1 1 61 61 LYS N N 61 118.836 118.836 124.330 -5.494 17913 3046 1 13 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.033 0.214 17913 3047 1 13 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.977 -0.325 17913 3048 1 13 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.325 1.419 17913 3049 1 13 . 1 1 62 62 PRO HA H 62 3.516 3.516 3.964 -0.448 17913 3050 1 13 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.995 -0.065 17913 3051 1 13 . 1 1 62 62 PRO CB C 62 31.833 31.833 31.962 -0.129 17913 3052 1 13 . 1 1 63 63 LEU N N 63 122.539 122.539 122.487 0.052 17913 3053 1 13 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.312 -0.118 17913 3054 1 13 . 1 1 63 63 LEU CA C 63 54.689 54.689 54.958 -0.269 17913 3055 1 13 . 1 1 63 63 LEU CB C 63 42.768 42.768 42.066 0.702 17913 3056 1 14 . 1 1 2 2 THR N N 2 115.123 115.123 121.289 -6.166 17913 3057 1 14 . 1 1 2 2 THR HA H 2 4.359 4.359 4.430 -0.071 17913 3058 1 14 . 1 1 2 2 THR CA C 2 61.918 61.918 63.044 -1.126 17913 3059 1 14 . 1 1 2 2 THR CB C 2 70.007 70.007 69.010 0.997 17913 3060 1 14 . 1 1 3 3 SER N N 3 117.860 117.860 121.121 -3.261 17913 3061 1 14 . 1 1 3 3 SER HA H 3 4.393 4.393 4.698 -0.305 17913 3062 1 14 . 1 1 3 3 SER CA C 3 58.538 58.538 57.505 1.033 17913 3063 1 14 . 1 1 3 3 SER CB C 3 63.865 63.865 65.002 -1.137 17913 3064 1 14 . 1 1 4 4 GLN N N 4 121.904 121.904 119.186 2.718 17913 3065 1 14 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.102 0.185 17913 3066 1 14 . 1 1 4 4 GLN CA C 4 55.929 55.929 56.056 -0.127 17913 3067 1 14 . 1 1 4 4 GLN CB C 4 29.431 29.431 28.755 0.676 17913 3068 1 14 . 1 1 5 5 ASP N N 5 121.274 121.274 120.857 0.417 17913 3069 1 14 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.725 -0.210 17913 3070 1 14 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.278 1.345 17913 3071 1 14 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.843 -0.662 17913 3072 1 14 . 1 1 6 6 LEU N N 6 121.060 121.060 119.749 1.311 17913 3073 1 14 . 1 1 6 6 LEU HA H 6 4.256 4.256 3.959 0.297 17913 3074 1 14 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.553 0.504 17913 3075 1 14 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.792 -0.082 17913 3076 1 14 . 1 1 7 7 PHE N N 7 119.312 119.312 117.960 1.352 17913 3077 1 14 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.696 0.156 17913 3078 1 14 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.689 0.275 17913 3079 1 14 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.947 -0.450 17913 3080 1 14 . 1 1 8 8 SER N N 8 117.645 117.645 114.684 2.961 17913 3081 1 14 . 1 1 8 8 SER HA H 8 5.341 5.341 5.598 -0.257 17913 3082 1 14 . 1 1 8 8 SER CA C 8 58.530 58.530 57.072 1.458 17913 3083 1 14 . 1 1 8 8 SER CB C 8 64.615 64.615 65.291 -0.676 17913 3084 1 14 . 1 1 9 9 TYR N N 9 123.973 123.973 120.741 3.232 17913 3085 1 14 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.859 0.212 17913 3086 1 14 . 1 1 9 9 TYR CA C 9 56.623 56.623 56.963 -0.340 17913 3087 1 14 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.283 0.432 17913 3088 1 14 . 1 1 10 10 GLN N N 10 119.777 119.777 121.011 -1.234 17913 3089 1 14 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.238 0.211 17913 3090 1 14 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.584 -0.378 17913 3091 1 14 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.663 0.171 17913 3092 1 14 . 1 1 11 11 ALA N N 11 128.040 128.040 128.517 -0.477 17913 3093 1 14 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.504 0.170 17913 3094 1 14 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.145 1.653 17913 3095 1 14 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.989 -0.929 17913 3096 1 14 . 1 1 12 12 LEU N N 12 126.475 126.475 124.362 2.113 17913 3097 1 14 . 1 1 12 12 LEU HA H 12 3.959 3.959 3.920 0.039 17913 3098 1 14 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.182 -2.050 17913 3099 1 14 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.025 1.766 17913 3100 1 14 . 1 1 13 13 TYR N N 13 112.484 112.484 111.172 1.312 17913 3101 1 14 . 1 1 13 13 TYR HA H 13 4.753 4.753 5.032 -0.279 17913 3102 1 14 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.609 -2.017 17913 3103 1 14 . 1 1 13 13 TYR CB C 13 42.569 42.569 42.686 -0.117 17913 3104 1 14 . 1 1 14 14 SER N N 14 113.568 113.568 116.358 -2.790 17913 3105 1 14 . 1 1 14 14 SER HA H 14 4.397 4.397 4.531 -0.134 17913 3106 1 14 . 1 1 14 14 SER CA C 14 58.401 58.401 57.823 0.578 17913 3107 1 14 . 1 1 14 14 SER CB C 14 64.028 64.028 64.419 -0.391 17913 3108 1 14 . 1 1 15 15 TYR N N 15 122.458 122.458 125.892 -3.434 17913 3109 1 14 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.654 0.040 17913 3110 1 14 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.801 1.326 17913 3111 1 14 . 1 1 15 15 TYR CB C 15 42.084 42.084 40.975 1.109 17913 3112 1 14 . 1 1 16 16 ILE N N 16 129.002 129.002 127.668 1.334 17913 3113 1 14 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.354 -0.021 17913 3114 1 14 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.416 -0.056 17913 3115 1 14 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.576 0.422 17913 3116 1 14 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.683 -0.308 17913 3117 1 14 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.813 0.801 17913 3118 1 14 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.144 1.872 17913 3119 1 14 . 1 1 18 18 GLN N N 18 120.610 120.610 123.137 -2.527 17913 3120 1 14 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.123 0.203 17913 3121 1 14 . 1 1 18 18 GLN CA C 18 54.774 54.774 57.294 -2.520 17913 3122 1 14 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.478 1.389 17913 3123 1 14 . 1 1 19 19 ASN N N 19 114.130 114.130 117.536 -3.406 17913 3124 1 14 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.975 -0.098 17913 3125 1 14 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.124 -0.078 17913 3126 1 14 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.518 3.598 17913 3127 1 14 . 1 1 20 20 ASP N N 20 119.849 119.849 119.636 0.213 17913 3128 1 14 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.521 -0.112 17913 3129 1 14 . 1 1 20 20 ASP CA C 20 56.761 56.761 56.371 0.390 17913 3130 1 14 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.718 -0.291 17913 3131 1 14 . 1 1 21 21 ASP N N 21 116.249 116.249 117.016 -0.767 17913 3132 1 14 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.579 0.137 17913 3133 1 14 . 1 1 21 21 ASP CA C 21 52.903 52.903 55.826 -2.923 17913 3134 1 14 . 1 1 21 21 ASP CB C 21 39.519 39.519 41.080 -1.561 17913 3135 1 14 . 1 1 22 22 GLU N N 22 119.836 119.836 118.644 1.192 17913 3136 1 14 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.185 0.121 17913 3137 1 14 . 1 1 22 22 GLU CA C 22 54.842 54.842 56.177 -1.335 17913 3138 1 14 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.198 0.615 17913 3139 1 14 . 1 1 23 23 LEU N N 23 124.087 124.087 121.498 2.589 17913 3140 1 14 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.714 -0.363 17913 3141 1 14 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.483 -0.286 17913 3142 1 14 . 1 1 23 23 LEU CB C 23 45.612 45.612 45.080 0.532 17913 3143 1 14 . 1 1 24 24 GLU N N 24 122.201 122.201 124.208 -2.007 17913 3144 1 14 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.399 0.165 17913 3145 1 14 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.578 -0.380 17913 3146 1 14 . 1 1 24 24 GLU CB C 24 29.835 29.835 29.905 -0.070 17913 3147 1 14 . 1 1 25 25 LEU N N 25 125.205 125.205 127.892 -2.687 17913 3148 1 14 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.554 0.057 17913 3149 1 14 . 1 1 25 25 LEU CA C 25 53.546 53.546 52.972 0.574 17913 3150 1 14 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.153 0.961 17913 3151 1 14 . 1 1 26 26 ARG N N 26 124.847 124.847 124.171 0.676 17913 3152 1 14 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.654 0.071 17913 3153 1 14 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.599 0.597 17913 3154 1 14 . 1 1 26 26 ARG CB C 26 32.565 32.565 34.023 -1.458 17913 3155 1 14 . 1 1 27 27 ASP N N 27 121.325 121.325 120.769 0.556 17913 3156 1 14 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.422 -0.993 17913 3157 1 14 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.900 0.150 17913 3158 1 14 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.567 -0.353 17913 3159 1 14 . 1 1 28 28 GLY N N 28 113.421 113.421 111.596 1.825 17913 3160 1 14 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.410 -0.520 17913 3161 1 14 . 1 1 29 29 ASP N N 29 122.317 122.317 119.456 2.861 17913 3162 1 14 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.820 -0.364 17913 3163 1 14 . 1 1 29 29 ASP CA C 29 55.528 55.528 52.359 3.169 17913 3164 1 14 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.557 -1.999 17913 3165 1 14 . 1 1 30 30 ILE N N 30 121.394 121.394 123.100 -1.706 17913 3166 1 14 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.295 -0.294 17913 3167 1 14 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.971 -0.081 17913 3168 1 14 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.642 -1.422 17913 3169 1 14 . 1 1 31 31 VAL N N 31 124.770 124.770 126.659 -1.889 17913 3170 1 14 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.573 0.301 17913 3171 1 14 . 1 1 31 31 VAL CA C 31 58.941 58.941 60.082 -1.141 17913 3172 1 14 . 1 1 31 31 VAL CB C 31 35.084 35.084 35.889 -0.805 17913 3173 1 14 . 1 1 32 32 ASP N N 32 124.983 124.983 129.437 -4.454 17913 3174 1 14 . 1 1 32 32 ASP HA H 32 5.369 5.369 5.011 0.358 17913 3175 1 14 . 1 1 32 32 ASP CA C 32 54.018 54.018 52.678 1.339 17913 3176 1 14 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.081 -1.756 17913 3177 1 14 . 1 1 33 33 VAL N N 33 127.010 127.010 126.896 0.114 17913 3178 1 14 . 1 1 33 33 VAL HA H 33 4.155 4.155 5.036 -0.881 17913 3179 1 14 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.090 3.139 17913 3180 1 14 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.222 1.040 17913 3181 1 14 . 1 1 34 34 MET N N 34 126.236 126.236 127.282 -1.046 17913 3182 1 14 . 1 1 34 34 MET HA H 34 4.646 4.646 4.569 0.077 17913 3183 1 14 . 1 1 34 34 MET CA C 34 56.039 56.039 55.920 0.119 17913 3184 1 14 . 1 1 34 34 MET CB C 34 35.364 35.364 33.184 2.180 17913 3185 1 14 . 1 1 35 35 GLU N N 35 118.007 118.007 118.677 -0.670 17913 3186 1 14 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.609 -0.135 17913 3187 1 14 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.727 -0.171 17913 3188 1 14 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.271 0.199 17913 3189 1 14 . 1 1 36 36 LYS N N 36 124.151 124.151 126.153 -2.002 17913 3190 1 14 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.959 -0.598 17913 3191 1 14 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.546 0.031 17913 3192 1 14 . 1 1 36 36 LYS CB C 36 32.981 32.981 34.373 -1.392 17913 3193 1 14 . 1 1 37 37 CYS N N 37 122.385 122.385 124.125 -1.740 17913 3194 1 14 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.666 -0.074 17913 3195 1 14 . 1 1 37 37 CYS CA C 37 58.377 58.377 57.203 1.174 17913 3196 1 14 . 1 1 37 37 CYS CB C 37 29.217 29.217 28.147 1.070 17913 3197 1 14 . 1 1 38 38 ASP N N 38 123.591 123.591 124.930 -1.339 17913 3198 1 14 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.469 -0.114 17913 3199 1 14 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.704 0.051 17913 3200 1 14 . 1 1 38 38 ASP CB C 38 40.300 40.300 41.127 -0.827 17913 3201 1 14 . 1 1 39 39 ASP N N 39 117.190 117.190 115.429 1.761 17913 3202 1 14 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.568 -0.096 17913 3203 1 14 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.073 -0.857 17913 3204 1 14 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.707 -0.577 17913 3205 1 14 . 1 1 40 40 GLY N N 40 105.575 105.575 107.882 -2.307 17913 3206 1 14 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.505 0.470 17913 3207 1 14 . 1 1 41 41 TRP N N 41 123.669 123.669 123.195 0.474 17913 3208 1 14 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.286 -0.229 17913 3209 1 14 . 1 1 41 41 TRP CA C 41 58.452 58.452 57.636 0.816 17913 3210 1 14 . 1 1 41 41 TRP CB C 41 27.230 27.230 29.381 -2.151 17913 3211 1 14 . 1 1 42 42 PHE N N 42 120.474 120.474 118.760 1.714 17913 3212 1 14 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.459 -0.117 17913 3213 1 14 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.676 -4.228 17913 3214 1 14 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.645 -1.016 17913 3215 1 14 . 1 1 43 43 VAL N N 43 121.847 121.847 120.762 1.085 17913 3216 1 14 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.207 0.416 17913 3217 1 14 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.791 -0.616 17913 3218 1 14 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.936 1.582 17913 3219 1 14 . 1 1 44 44 GLY N N 44 113.784 113.784 108.494 5.290 17913 3220 1 14 . 1 1 44 44 GLY CA C 44 46.888 46.888 45.167 1.721 17913 3221 1 14 . 1 1 45 45 THR N N 45 112.652 112.652 117.379 -4.727 17913 3222 1 14 . 1 1 45 45 THR HA H 45 5.506 5.506 5.157 0.349 17913 3223 1 14 . 1 1 45 45 THR CA C 45 60.396 60.396 61.297 -0.902 17913 3224 1 14 . 1 1 45 45 THR CB C 45 71.151 71.151 70.526 0.625 17913 3225 1 14 . 1 1 46 46 SER N N 46 119.945 119.945 120.418 -0.473 17913 3226 1 14 . 1 1 46 46 SER HA H 46 4.496 4.496 4.757 -0.261 17913 3227 1 14 . 1 1 46 46 SER CA C 46 57.007 57.007 57.151 -0.144 17913 3228 1 14 . 1 1 46 46 SER CB C 46 63.816 63.816 64.377 -0.561 17913 3229 1 14 . 1 1 47 47 ARG N N 47 128.825 128.825 127.522 1.303 17913 3230 1 14 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.200 0.017 17913 3231 1 14 . 1 1 47 47 ARG CA C 47 59.482 59.482 57.538 1.944 17913 3232 1 14 . 1 1 47 47 ARG CB C 47 29.995 29.995 30.074 -0.079 17913 3233 1 14 . 1 1 48 48 ARG N N 48 118.813 118.813 116.960 1.853 17913 3234 1 14 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.440 -0.224 17913 3235 1 14 . 1 1 48 48 ARG CA C 48 59.206 59.206 57.788 1.418 17913 3236 1 14 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.842 0.136 17913 3237 1 14 . 1 1 49 49 THR N N 49 105.015 105.015 112.743 -7.728 17913 3238 1 14 . 1 1 49 49 THR HA H 49 4.320 4.320 4.221 0.099 17913 3239 1 14 . 1 1 49 49 THR CA C 49 61.456 61.456 62.612 -1.156 17913 3240 1 14 . 1 1 49 49 THR CB C 49 70.527 70.527 69.209 1.318 17913 3241 1 14 . 1 1 50 50 LYS N N 50 115.674 115.674 117.508 -1.834 17913 3242 1 14 . 1 1 50 50 LYS HA H 50 4.045 4.045 4.018 0.027 17913 3243 1 14 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.724 0.134 17913 3244 1 14 . 1 1 50 50 LYS CB C 50 29.040 29.040 30.206 -1.166 17913 3245 1 14 . 1 1 51 51 GLN N N 51 118.027 118.027 116.336 1.691 17913 3246 1 14 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.549 -0.147 17913 3247 1 14 . 1 1 51 51 GLN CA C 51 55.577 55.577 53.927 1.650 17913 3248 1 14 . 1 1 51 51 GLN CB C 51 29.802 29.802 32.027 -2.225 17913 3249 1 14 . 1 1 52 52 PHE N N 52 122.149 122.149 119.935 2.214 17913 3250 1 14 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.414 0.163 17913 3251 1 14 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.998 -1.483 17913 3252 1 14 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.032 2.887 17913 3253 1 14 . 1 1 53 53 GLY N N 53 113.270 113.270 112.438 0.832 17913 3254 1 14 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.154 1.400 17913 3255 1 14 . 1 1 54 54 THR N N 54 113.615 113.615 117.209 -3.594 17913 3256 1 14 . 1 1 54 54 THR HA H 54 6.034 6.034 5.128 0.906 17913 3257 1 14 . 1 1 54 54 THR CA C 54 57.841 57.841 60.706 -2.865 17913 3258 1 14 . 1 1 54 54 THR CB C 54 71.605 71.605 70.304 1.301 17913 3259 1 14 . 1 1 55 55 PHE N N 55 123.708 123.708 121.709 1.999 17913 3260 1 14 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.907 -0.057 17913 3261 1 14 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.260 -0.208 17913 3262 1 14 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.291 -1.073 17913 3263 1 14 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.423 -1.154 17913 3264 1 14 . 1 1 56 56 PRO CA C 56 61.844 61.844 62.946 -1.102 17913 3265 1 14 . 1 1 56 56 PRO CB C 56 31.045 31.045 30.939 0.106 17913 3266 1 14 . 1 1 57 57 GLY N N 57 112.583 112.583 109.065 3.518 17913 3267 1 14 . 1 1 57 57 GLY CA C 57 44.596 44.596 44.572 0.025 17913 3268 1 14 . 1 1 58 58 ASN N N 58 112.820 112.820 116.299 -3.479 17913 3269 1 14 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.746 -0.123 17913 3270 1 14 . 1 1 58 58 ASN CA C 58 52.873 52.873 52.543 0.330 17913 3271 1 14 . 1 1 58 58 ASN CB C 58 35.033 35.033 38.898 -3.865 17913 3272 1 14 . 1 1 59 59 TYR N N 59 119.700 119.700 120.276 -0.576 17913 3273 1 14 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.657 -0.001 17913 3274 1 14 . 1 1 59 59 TYR CA C 59 58.197 58.197 58.077 0.120 17913 3275 1 14 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.207 -2.706 17913 3276 1 14 . 1 1 60 60 VAL N N 60 108.984 108.984 119.231 -10.247 17913 3277 1 14 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.216 1.238 17913 3278 1 14 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.892 -1.702 17913 3279 1 14 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.703 1.979 17913 3280 1 14 . 1 1 61 61 LYS N N 61 118.836 118.836 124.195 -5.359 17913 3281 1 14 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.002 0.245 17913 3282 1 14 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.999 -0.347 17913 3283 1 14 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.130 1.614 17913 3284 1 14 . 1 1 62 62 PRO HA H 62 3.516 3.516 3.993 -0.477 17913 3285 1 14 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.988 -0.058 17913 3286 1 14 . 1 1 62 62 PRO CB C 62 31.833 31.833 32.008 -0.175 17913 3287 1 14 . 1 1 63 63 LEU N N 63 122.539 122.539 122.584 -0.045 17913 3288 1 14 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.229 -0.035 17913 3289 1 14 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.180 -0.491 17913 3290 1 14 . 1 1 63 63 LEU CB C 63 42.768 42.768 42.172 0.596 17913 3291 1 15 . 1 1 2 2 THR N N 2 115.123 115.123 112.648 2.475 17913 3292 1 15 . 1 1 2 2 THR HA H 2 4.359 4.359 4.525 -0.166 17913 3293 1 15 . 1 1 2 2 THR CA C 2 61.918 61.918 62.106 -0.188 17913 3294 1 15 . 1 1 2 2 THR CB C 2 70.007 70.007 69.070 0.938 17913 3295 1 15 . 1 1 3 3 SER N N 3 117.860 117.860 117.347 0.513 17913 3296 1 15 . 1 1 3 3 SER HA H 3 4.393 4.393 4.490 -0.097 17913 3297 1 15 . 1 1 3 3 SER CA C 3 58.538 58.538 57.431 1.107 17913 3298 1 15 . 1 1 3 3 SER CB C 3 63.865 63.865 64.470 -0.605 17913 3299 1 15 . 1 1 4 4 GLN N N 4 121.904 121.904 120.807 1.097 17913 3300 1 15 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.529 -0.242 17913 3301 1 15 . 1 1 4 4 GLN CA C 4 55.929 55.929 55.127 0.802 17913 3302 1 15 . 1 1 4 4 GLN CB C 4 29.431 29.431 30.901 -1.470 17913 3303 1 15 . 1 1 5 5 ASP N N 5 121.274 121.274 121.206 0.068 17913 3304 1 15 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.685 -0.170 17913 3305 1 15 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.253 1.369 17913 3306 1 15 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.825 -0.645 17913 3307 1 15 . 1 1 6 6 LEU N N 6 121.060 121.060 118.768 2.292 17913 3308 1 15 . 1 1 6 6 LEU HA H 6 4.256 4.256 3.981 0.275 17913 3309 1 15 . 1 1 6 6 LEU CA C 6 55.057 55.057 55.055 0.002 17913 3310 1 15 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.308 0.402 17913 3311 1 15 . 1 1 7 7 PHE N N 7 119.312 119.312 117.712 1.600 17913 3312 1 15 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.788 0.064 17913 3313 1 15 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.303 0.661 17913 3314 1 15 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.330 0.167 17913 3315 1 15 . 1 1 8 8 SER N N 8 117.645 117.645 116.265 1.380 17913 3316 1 15 . 1 1 8 8 SER HA H 8 5.341 5.341 5.393 -0.052 17913 3317 1 15 . 1 1 8 8 SER CA C 8 58.530 58.530 57.205 1.325 17913 3318 1 15 . 1 1 8 8 SER CB C 8 64.615 64.615 66.193 -1.578 17913 3319 1 15 . 1 1 9 9 TYR N N 9 123.973 123.973 120.317 3.656 17913 3320 1 15 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.829 0.242 17913 3321 1 15 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.044 -0.421 17913 3322 1 15 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.126 0.590 17913 3323 1 15 . 1 1 10 10 GLN N N 10 119.777 119.777 121.291 -1.514 17913 3324 1 15 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.368 0.081 17913 3325 1 15 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.467 -0.261 17913 3326 1 15 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.605 0.230 17913 3327 1 15 . 1 1 11 11 ALA N N 11 128.040 128.040 128.652 -0.612 17913 3328 1 15 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.400 0.274 17913 3329 1 15 . 1 1 11 11 ALA CA C 11 52.798 52.798 50.961 1.837 17913 3330 1 15 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.940 -0.880 17913 3331 1 15 . 1 1 12 12 LEU N N 12 126.475 126.475 124.188 2.287 17913 3332 1 15 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.090 -0.131 17913 3333 1 15 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.313 -2.181 17913 3334 1 15 . 1 1 12 12 LEU CB C 12 43.791 43.791 41.990 1.801 17913 3335 1 15 . 1 1 13 13 TYR N N 13 112.484 112.484 110.655 1.829 17913 3336 1 15 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.763 -0.010 17913 3337 1 15 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.214 -1.622 17913 3338 1 15 . 1 1 13 13 TYR CB C 13 42.569 42.569 39.976 2.593 17913 3339 1 15 . 1 1 14 14 SER N N 14 113.568 113.568 115.451 -1.883 17913 3340 1 15 . 1 1 14 14 SER HA H 14 4.397 4.397 4.622 -0.225 17913 3341 1 15 . 1 1 14 14 SER CA C 14 58.401 58.401 57.881 0.520 17913 3342 1 15 . 1 1 14 14 SER CB C 14 64.028 64.028 63.865 0.163 17913 3343 1 15 . 1 1 15 15 TYR N N 15 122.458 122.458 126.479 -4.021 17913 3344 1 15 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.778 -0.084 17913 3345 1 15 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.107 2.020 17913 3346 1 15 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.799 0.285 17913 3347 1 15 . 1 1 16 16 ILE N N 16 129.002 129.002 127.090 1.912 17913 3348 1 15 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.354 -0.021 17913 3349 1 15 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.692 -0.332 17913 3350 1 15 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.644 0.354 17913 3351 1 15 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.552 -0.177 17913 3352 1 15 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.894 0.720 17913 3353 1 15 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.170 1.845 17913 3354 1 15 . 1 1 18 18 GLN N N 18 120.610 120.610 123.322 -2.712 17913 3355 1 15 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.111 0.215 17913 3356 1 15 . 1 1 18 18 GLN CA C 18 54.774 54.774 57.150 -2.376 17913 3357 1 15 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.559 1.308 17913 3358 1 15 . 1 1 19 19 ASN N N 19 114.130 114.130 116.117 -1.987 17913 3359 1 15 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.976 -0.099 17913 3360 1 15 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.035 0.011 17913 3361 1 15 . 1 1 19 19 ASN CB C 19 44.116 44.116 41.059 3.057 17913 3362 1 15 . 1 1 20 20 ASP N N 20 119.849 119.849 119.891 -0.042 17913 3363 1 15 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.488 -0.079 17913 3364 1 15 . 1 1 20 20 ASP CA C 20 56.761 56.761 56.566 0.195 17913 3365 1 15 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.541 -0.114 17913 3366 1 15 . 1 1 21 21 ASP N N 21 116.249 116.249 115.299 0.950 17913 3367 1 15 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.501 0.215 17913 3368 1 15 . 1 1 21 21 ASP CA C 21 52.903 52.903 54.694 -1.791 17913 3369 1 15 . 1 1 21 21 ASP CB C 21 39.519 39.519 40.660 -1.141 17913 3370 1 15 . 1 1 22 22 GLU N N 22 119.836 119.836 119.474 0.362 17913 3371 1 15 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.047 0.259 17913 3372 1 15 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.831 -0.989 17913 3373 1 15 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.189 0.624 17913 3374 1 15 . 1 1 23 23 LEU N N 23 124.087 124.087 121.230 2.857 17913 3375 1 15 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.568 -0.217 17913 3376 1 15 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.547 -0.350 17913 3377 1 15 . 1 1 23 23 LEU CB C 23 45.612 45.612 44.296 1.316 17913 3378 1 15 . 1 1 24 24 GLU N N 24 122.201 122.201 125.289 -3.088 17913 3379 1 15 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.288 0.276 17913 3380 1 15 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.514 -0.316 17913 3381 1 15 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.023 -0.188 17913 3382 1 15 . 1 1 25 25 LEU N N 25 125.205 125.205 128.267 -3.062 17913 3383 1 15 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.708 -0.097 17913 3384 1 15 . 1 1 25 25 LEU CA C 25 53.546 53.546 52.713 0.833 17913 3385 1 15 . 1 1 25 25 LEU CB C 25 45.114 45.114 45.102 0.012 17913 3386 1 15 . 1 1 26 26 ARG N N 26 124.847 124.847 124.846 0.001 17913 3387 1 15 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.687 0.038 17913 3388 1 15 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.217 0.979 17913 3389 1 15 . 1 1 26 26 ARG CB C 26 32.565 32.565 32.725 -0.160 17913 3390 1 15 . 1 1 27 27 ASP N N 27 121.325 121.325 121.090 0.235 17913 3391 1 15 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.408 -0.979 17913 3392 1 15 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.162 0.888 17913 3393 1 15 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.203 0.011 17913 3394 1 15 . 1 1 28 28 GLY N N 28 113.421 113.421 111.730 1.691 17913 3395 1 15 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.290 -0.401 17913 3396 1 15 . 1 1 29 29 ASP N N 29 122.317 122.317 119.680 2.637 17913 3397 1 15 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.767 -0.311 17913 3398 1 15 . 1 1 29 29 ASP CA C 29 55.528 55.528 52.819 2.708 17913 3399 1 15 . 1 1 29 29 ASP CB C 29 41.558 41.558 42.961 -1.403 17913 3400 1 15 . 1 1 30 30 ILE N N 30 121.394 121.394 123.750 -2.356 17913 3401 1 15 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.286 -0.285 17913 3402 1 15 . 1 1 30 30 ILE CA C 30 59.890 59.890 60.120 -0.230 17913 3403 1 15 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.477 -1.257 17913 3404 1 15 . 1 1 31 31 VAL N N 31 124.770 124.770 127.387 -2.617 17913 3405 1 15 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.932 -0.058 17913 3406 1 15 . 1 1 31 31 VAL CA C 31 58.941 58.941 59.476 -0.535 17913 3407 1 15 . 1 1 31 31 VAL CB C 31 35.084 35.084 36.440 -1.356 17913 3408 1 15 . 1 1 32 32 ASP N N 32 124.983 124.983 128.164 -3.181 17913 3409 1 15 . 1 1 32 32 ASP HA H 32 5.369 5.369 5.044 0.325 17913 3410 1 15 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.490 0.528 17913 3411 1 15 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.844 -2.519 17913 3412 1 15 . 1 1 33 33 VAL N N 33 127.010 127.010 123.543 3.467 17913 3413 1 15 . 1 1 33 33 VAL HA H 33 4.155 4.155 4.969 -0.814 17913 3414 1 15 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.718 2.510 17913 3415 1 15 . 1 1 33 33 VAL CB C 33 33.262 33.262 31.974 1.288 17913 3416 1 15 . 1 1 34 34 MET N N 34 126.236 126.236 127.180 -0.944 17913 3417 1 15 . 1 1 34 34 MET HA H 34 4.646 4.646 4.367 0.279 17913 3418 1 15 . 1 1 34 34 MET CA C 34 56.039 56.039 58.242 -2.203 17913 3419 1 15 . 1 1 34 34 MET CB C 34 35.364 35.364 33.384 1.980 17913 3420 1 15 . 1 1 35 35 GLU N N 35 118.007 118.007 118.002 0.005 17913 3421 1 15 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.646 -0.172 17913 3422 1 15 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.291 0.265 17913 3423 1 15 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.202 0.268 17913 3424 1 15 . 1 1 36 36 LYS N N 36 124.151 124.151 125.909 -1.758 17913 3425 1 15 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.902 -0.541 17913 3426 1 15 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.284 0.293 17913 3427 1 15 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.824 -0.843 17913 3428 1 15 . 1 1 37 37 CYS N N 37 122.385 122.385 124.451 -2.066 17913 3429 1 15 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.535 0.057 17913 3430 1 15 . 1 1 37 37 CYS CA C 37 58.377 58.377 58.003 0.374 17913 3431 1 15 . 1 1 37 37 CYS CB C 37 29.217 29.217 28.358 0.859 17913 3432 1 15 . 1 1 38 38 ASP N N 38 123.591 123.591 123.153 0.438 17913 3433 1 15 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.459 -0.104 17913 3434 1 15 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.787 -0.032 17913 3435 1 15 . 1 1 38 38 ASP CB C 38 40.300 40.300 41.166 -0.866 17913 3436 1 15 . 1 1 39 39 ASP N N 39 117.190 117.190 117.599 -0.409 17913 3437 1 15 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.713 -0.241 17913 3438 1 15 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.339 -1.123 17913 3439 1 15 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.704 -0.574 17913 3440 1 15 . 1 1 40 40 GLY N N 40 105.575 105.575 111.006 -5.431 17913 3441 1 15 . 1 1 40 40 GLY CA C 40 44.975 44.975 45.404 -0.429 17913 3442 1 15 . 1 1 41 41 TRP N N 41 123.669 123.669 123.746 -0.077 17913 3443 1 15 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.404 -0.347 17913 3444 1 15 . 1 1 41 41 TRP CA C 41 58.452 58.452 56.198 2.254 17913 3445 1 15 . 1 1 41 41 TRP CB C 41 27.230 27.230 29.981 -2.751 17913 3446 1 15 . 1 1 42 42 PHE N N 42 120.474 120.474 117.354 3.120 17913 3447 1 15 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.413 -0.071 17913 3448 1 15 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.575 -4.127 17913 3449 1 15 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.783 -1.153 17913 3450 1 15 . 1 1 43 43 VAL N N 43 121.847 121.847 119.128 2.719 17913 3451 1 15 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.235 0.388 17913 3452 1 15 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.674 -0.499 17913 3453 1 15 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.599 1.919 17913 3454 1 15 . 1 1 44 44 GLY N N 44 113.784 113.784 110.202 3.582 17913 3455 1 15 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.309 2.579 17913 3456 1 15 . 1 1 45 45 THR N N 45 112.652 112.652 118.193 -5.541 17913 3457 1 15 . 1 1 45 45 THR HA H 45 5.506 5.506 5.417 0.089 17913 3458 1 15 . 1 1 45 45 THR CA C 45 60.396 60.396 61.201 -0.805 17913 3459 1 15 . 1 1 45 45 THR CB C 45 71.151 71.151 71.153 -0.002 17913 3460 1 15 . 1 1 46 46 SER N N 46 119.945 119.945 121.698 -1.753 17913 3461 1 15 . 1 1 46 46 SER HA H 46 4.496 4.496 4.860 -0.364 17913 3462 1 15 . 1 1 46 46 SER CA C 46 57.007 57.007 58.578 -1.571 17913 3463 1 15 . 1 1 46 46 SER CB C 46 63.816 63.816 64.487 -0.671 17913 3464 1 15 . 1 1 47 47 ARG N N 47 128.825 128.825 125.644 3.181 17913 3465 1 15 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.104 0.113 17913 3466 1 15 . 1 1 47 47 ARG CA C 47 59.482 59.482 58.239 1.243 17913 3467 1 15 . 1 1 47 47 ARG CB C 47 29.995 29.995 29.816 0.179 17913 3468 1 15 . 1 1 48 48 ARG N N 48 118.813 118.813 116.467 2.346 17913 3469 1 15 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.216 0.000 17913 3470 1 15 . 1 1 48 48 ARG CA C 48 59.206 59.206 58.591 0.615 17913 3471 1 15 . 1 1 48 48 ARG CB C 48 30.978 30.978 29.816 1.162 17913 3472 1 15 . 1 1 49 49 THR N N 49 105.015 105.015 111.107 -6.092 17913 3473 1 15 . 1 1 49 49 THR HA H 49 4.320 4.320 4.418 -0.098 17913 3474 1 15 . 1 1 49 49 THR CA C 49 61.456 61.456 61.885 -0.429 17913 3475 1 15 . 1 1 49 49 THR CB C 49 70.527 70.527 69.884 0.643 17913 3476 1 15 . 1 1 50 50 LYS N N 50 115.674 115.674 119.282 -3.608 17913 3477 1 15 . 1 1 50 50 LYS HA H 50 4.045 4.045 4.086 -0.041 17913 3478 1 15 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.532 0.326 17913 3479 1 15 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.157 -0.117 17913 3480 1 15 . 1 1 51 51 GLN N N 51 118.027 118.027 116.913 1.114 17913 3481 1 15 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.428 -0.026 17913 3482 1 15 . 1 1 51 51 GLN CA C 51 55.577 55.577 55.449 0.128 17913 3483 1 15 . 1 1 51 51 GLN CB C 51 29.802 29.802 30.140 -0.338 17913 3484 1 15 . 1 1 52 52 PHE N N 52 122.149 122.149 118.361 3.788 17913 3485 1 15 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.806 -0.229 17913 3486 1 15 . 1 1 52 52 PHE CA C 52 55.515 55.515 55.862 -0.347 17913 3487 1 15 . 1 1 52 52 PHE CB C 52 42.919 42.919 41.213 1.706 17913 3488 1 15 . 1 1 53 53 GLY N N 53 113.270 113.270 113.587 -0.317 17913 3489 1 15 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.339 1.215 17913 3490 1 15 . 1 1 54 54 THR N N 54 113.615 113.615 117.610 -3.995 17913 3491 1 15 . 1 1 54 54 THR HA H 54 6.034 6.034 5.196 0.838 17913 3492 1 15 . 1 1 54 54 THR CA C 54 57.841 57.841 60.697 -2.856 17913 3493 1 15 . 1 1 54 54 THR CB C 54 71.605 71.605 70.344 1.261 17913 3494 1 15 . 1 1 55 55 PHE N N 55 123.708 123.708 121.785 1.923 17913 3495 1 15 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.375 0.475 17913 3496 1 15 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.163 -0.111 17913 3497 1 15 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.214 -0.996 17913 3498 1 15 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.743 -1.474 17913 3499 1 15 . 1 1 56 56 PRO CA C 56 61.844 61.844 62.946 -1.102 17913 3500 1 15 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.004 0.041 17913 3501 1 15 . 1 1 57 57 GLY N N 57 112.583 112.583 109.722 2.861 17913 3502 1 15 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.298 -0.702 17913 3503 1 15 . 1 1 58 58 ASN N N 58 112.820 112.820 117.208 -4.388 17913 3504 1 15 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.677 -0.054 17913 3505 1 15 . 1 1 58 58 ASN CA C 58 52.873 52.873 53.864 -0.990 17913 3506 1 15 . 1 1 58 58 ASN CB C 58 35.033 35.033 38.132 -3.099 17913 3507 1 15 . 1 1 59 59 TYR N N 59 119.700 119.700 118.755 0.945 17913 3508 1 15 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.598 0.058 17913 3509 1 15 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.529 0.668 17913 3510 1 15 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.550 -3.049 17913 3511 1 15 . 1 1 60 60 VAL N N 60 108.984 108.984 118.675 -9.691 17913 3512 1 15 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.017 1.437 17913 3513 1 15 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.952 -1.761 17913 3514 1 15 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.456 2.226 17913 3515 1 15 . 1 1 61 61 LYS N N 61 118.836 118.836 125.037 -6.201 17913 3516 1 15 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.008 0.239 17913 3517 1 15 . 1 1 61 61 LYS CA C 61 52.652 52.652 53.000 -0.348 17913 3518 1 15 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.143 1.601 17913 3519 1 15 . 1 1 62 62 PRO HA H 62 3.516 3.516 4.027 -0.511 17913 3520 1 15 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.984 -0.054 17913 3521 1 15 . 1 1 62 62 PRO CB C 62 31.833 31.833 32.050 -0.216 17913 3522 1 15 . 1 1 63 63 LEU N N 63 122.539 122.539 122.178 0.361 17913 3523 1 15 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.218 -0.024 17913 3524 1 15 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.081 -0.392 17913 3525 1 15 . 1 1 63 63 LEU CB C 63 42.768 42.768 42.289 0.479 17913 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 59 2.743 0.177 2.761 17913 2 1 1 "Average Difference" HA 62 0.475 0.036 0.478 17913 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17913 4 1 1 "Average Difference" CA 62 1.342 -0.010 1.353 17913 5 1 1 "Average Difference" CB 57 1.372 -0.114 1.379 17913 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 17913 7 1 2 "Average Difference" N 59 3.004 0.527 2.983 17913 8 1 2 "Average Difference" HA 62 0.521 0.054 0.522 17913 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17913 10 1 2 "Average Difference" CA 62 1.321 0.022 1.331 17913 11 1 2 "Average Difference" CB 57 1.415 -0.037 1.427 17913 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 17913 13 1 3 "Average Difference" N 59 3.023 0.606 2.988 17913 14 1 3 "Average Difference" HA 62 0.456 0.001 0.460 17913 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17913 16 1 3 "Average Difference" CA 62 1.389 0.088 1.398 17913 17 1 3 "Average Difference" CB 57 1.347 -0.099 1.355 17913 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 17913 19 1 4 "Average Difference" N 59 2.951 0.301 2.961 17913 20 1 4 "Average Difference" HA 62 0.406 0.027 0.408 17913 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17913 22 1 4 "Average Difference" CA 62 1.366 0.046 1.376 17913 23 1 4 "Average Difference" CB 57 1.377 -0.068 1.388 17913 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 17913 25 1 5 "Average Difference" N 59 2.850 0.434 2.841 17913 26 1 5 "Average Difference" HA 62 0.511 0.066 0.511 17913 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17913 28 1 5 "Average Difference" CA 62 1.341 0.025 1.352 17913 29 1 5 "Average Difference" CB 57 1.360 0.007 1.372 17913 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 17913 31 1 6 "Average Difference" N 59 2.878 0.456 2.866 17913 32 1 6 "Average Difference" HA 62 0.466 0.032 0.469 17913 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17913 34 1 6 "Average Difference" CA 62 1.366 0.049 1.377 17913 35 1 6 "Average Difference" CB 57 1.366 -0.116 1.374 17913 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 17913 37 1 7 "Average Difference" N 59 2.863 0.547 2.834 17913 38 1 7 "Average Difference" HA 62 0.478 0.059 0.478 17913 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17913 40 1 7 "Average Difference" CA 62 1.344 0.110 1.350 17913 41 1 7 "Average Difference" CB 57 1.323 0.046 1.334 17913 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 17913 43 1 8 "Average Difference" N 59 2.719 0.344 2.720 17913 44 1 8 "Average Difference" HA 62 0.434 0.011 0.437 17913 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17913 46 1 8 "Average Difference" CA 62 1.342 0.000 1.353 17913 47 1 8 "Average Difference" CB 57 1.325 -0.189 1.323 17913 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 17913 49 1 9 "Average Difference" N 59 2.857 0.688 2.796 17913 50 1 9 "Average Difference" HA 62 0.414 0.009 0.418 17913 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17913 52 1 9 "Average Difference" CA 62 1.368 0.104 1.375 17913 53 1 9 "Average Difference" CB 57 1.417 -0.201 1.415 17913 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 17913 55 1 10 "Average Difference" N 59 2.992 0.305 3.002 17913 56 1 10 "Average Difference" HA 62 0.521 0.036 0.524 17913 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17913 58 1 10 "Average Difference" CA 62 1.462 0.048 1.474 17913 59 1 10 "Average Difference" CB 57 1.375 -0.102 1.384 17913 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 17913 61 1 11 "Average Difference" N 59 2.960 0.200 2.979 17913 62 1 11 "Average Difference" HA 62 0.495 0.020 0.499 17913 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17913 64 1 11 "Average Difference" CA 62 1.434 -0.036 1.445 17913 65 1 11 "Average Difference" CB 57 1.398 -0.151 1.403 17913 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 17913 67 1 12 "Average Difference" N 59 2.971 0.600 2.934 17913 68 1 12 "Average Difference" HA 62 0.490 0.025 0.493 17913 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17913 70 1 12 "Average Difference" CA 62 1.446 0.046 1.457 17913 71 1 12 "Average Difference" CB 57 1.371 -0.122 1.378 17913 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 17913 73 1 13 "Average Difference" N 59 2.792 0.600 2.751 17913 74 1 13 "Average Difference" HA 62 0.438 0.049 0.439 17913 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17913 76 1 13 "Average Difference" CA 62 1.388 0.021 1.399 17913 77 1 13 "Average Difference" CB 57 1.342 -0.023 1.353 17913 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 17913 79 1 14 "Average Difference" N 59 2.942 0.567 2.912 17913 80 1 14 "Average Difference" HA 62 0.438 0.053 0.438 17913 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17913 82 1 14 "Average Difference" CA 62 1.354 0.032 1.364 17913 83 1 14 "Average Difference" CB 57 1.398 0.014 1.410 17913 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 17913 85 1 15 "Average Difference" N 59 2.948 0.367 2.951 17913 86 1 15 "Average Difference" HA 62 0.461 0.060 0.461 17913 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17913 88 1 15 "Average Difference" CA 62 1.308 0.047 1.318 17913 89 1 15 "Average Difference" CB 57 1.344 -0.058 1.354 17913 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 17913 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 17913 _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 THR N N 2 115.123 115.123 116.151 -1.028 17913 2 1 . 1 1 2 2 THR HA H 2 4.359 4.359 4.344 0.015 17913 3 1 . 1 1 2 2 THR CA C 2 61.918 61.918 62.835 -0.917 17913 4 1 . 1 1 2 2 THR CB C 2 70.007 70.007 68.778 1.229 17913 5 1 . 1 1 3 3 SER N N 3 117.860 117.860 118.046 -0.186 17913 6 1 . 1 1 3 3 SER HA H 3 4.393 4.393 4.403 -0.010 17913 7 1 . 1 1 3 3 SER CA C 3 58.538 58.538 58.607 -0.069 17913 8 1 . 1 1 3 3 SER CB C 3 63.865 63.865 63.939 -0.074 17913 9 1 . 1 1 4 4 GLN N N 4 121.904 121.904 121.364 0.540 17913 10 1 . 1 1 4 4 GLN HA H 4 4.287 4.287 4.225 0.062 17913 11 1 . 1 1 4 4 GLN CA C 4 55.929 55.929 55.845 0.084 17913 12 1 . 1 1 4 4 GLN CB C 4 29.431 29.431 29.060 0.371 17913 13 1 . 1 1 5 5 ASP N N 5 121.274 121.274 122.020 -0.746 17913 14 1 . 1 1 5 5 ASP HA H 5 4.515 4.515 4.566 -0.051 17913 15 1 . 1 1 5 5 ASP CA C 5 54.622 54.622 53.837 0.785 17913 16 1 . 1 1 5 5 ASP CB C 5 41.180 41.180 41.523 -0.343 17913 17 1 . 1 1 6 6 LEU N N 6 121.060 121.060 120.586 0.474 17913 18 1 . 1 1 6 6 LEU HA H 6 4.256 4.256 4.019 0.237 17913 19 1 . 1 1 6 6 LEU CA C 6 55.057 55.057 54.483 0.574 17913 20 1 . 1 1 6 6 LEU CB C 6 42.710 42.710 42.763 -0.053 17913 21 1 . 1 1 7 7 PHE N N 7 119.312 119.312 117.214 2.098 17913 22 1 . 1 1 7 7 PHE HA H 7 4.852 4.852 4.706 0.146 17913 23 1 . 1 1 7 7 PHE CA C 7 56.964 56.964 56.522 0.442 17913 24 1 . 1 1 7 7 PHE CB C 7 40.497 40.497 40.522 -0.025 17913 25 1 . 1 1 8 8 SER N N 8 117.645 117.645 115.132 2.513 17913 26 1 . 1 1 8 8 SER HA H 8 5.341 5.341 5.392 -0.051 17913 27 1 . 1 1 8 8 SER CA C 8 58.530 58.530 57.450 1.080 17913 28 1 . 1 1 8 8 SER CB C 8 64.615 64.615 65.242 -0.627 17913 29 1 . 1 1 9 9 TYR N N 9 123.973 123.973 120.842 3.131 17913 30 1 . 1 1 9 9 TYR HA H 9 5.071 5.071 4.826 0.245 17913 31 1 . 1 1 9 9 TYR CA C 9 56.623 56.623 57.181 -0.558 17913 32 1 . 1 1 9 9 TYR CB C 9 42.716 42.716 42.221 0.495 17913 33 1 . 1 1 10 10 GLN N N 10 119.777 119.777 121.181 -1.404 17913 34 1 . 1 1 10 10 GLN HA H 10 5.449 5.449 5.394 0.055 17913 35 1 . 1 1 10 10 GLN CA C 10 53.206 53.206 53.524 -0.318 17913 36 1 . 1 1 10 10 GLN CB C 10 32.834 32.834 32.696 0.138 17913 37 1 . 1 1 11 11 ALA N N 11 128.040 128.040 128.575 -0.535 17913 38 1 . 1 1 11 11 ALA HA H 11 4.674 4.674 4.472 0.202 17913 39 1 . 1 1 11 11 ALA CA C 11 52.798 52.798 51.106 1.692 17913 40 1 . 1 1 11 11 ALA CB C 11 19.060 19.060 19.976 -0.916 17913 41 1 . 1 1 12 12 LEU N N 12 126.475 126.475 124.287 2.188 17913 42 1 . 1 1 12 12 LEU HA H 12 3.959 3.959 4.029 -0.070 17913 43 1 . 1 1 12 12 LEU CA C 12 55.132 55.132 57.365 -2.233 17913 44 1 . 1 1 12 12 LEU CB C 12 43.791 43.791 42.031 1.760 17913 45 1 . 1 1 13 13 TYR N N 13 112.484 112.484 112.090 0.394 17913 46 1 . 1 1 13 13 TYR HA H 13 4.753 4.753 4.787 -0.034 17913 47 1 . 1 1 13 13 TYR CA C 13 53.592 53.592 55.245 -1.653 17913 48 1 . 1 1 13 13 TYR CB C 13 42.569 42.569 40.805 1.764 17913 49 1 . 1 1 14 14 SER N N 14 113.568 113.568 116.006 -2.438 17913 50 1 . 1 1 14 14 SER HA H 14 4.397 4.397 4.621 -0.224 17913 51 1 . 1 1 14 14 SER CA C 14 58.401 58.401 58.305 0.096 17913 52 1 . 1 1 14 14 SER CB C 14 64.028 64.028 63.803 0.225 17913 53 1 . 1 1 15 15 TYR N N 15 122.458 122.458 125.940 -3.482 17913 54 1 . 1 1 15 15 TYR HA H 15 4.694 4.694 4.713 -0.019 17913 55 1 . 1 1 15 15 TYR CA C 15 59.127 59.127 57.418 1.709 17913 56 1 . 1 1 15 15 TYR CB C 15 42.084 42.084 41.614 0.470 17913 57 1 . 1 1 16 16 ILE N N 16 129.002 129.002 127.573 1.429 17913 58 1 . 1 1 16 16 ILE HA H 16 4.333 4.333 4.344 -0.011 17913 59 1 . 1 1 16 16 ILE CA C 16 56.360 56.360 56.480 -0.120 17913 60 1 . 1 1 16 16 ILE CB C 16 37.998 37.998 37.624 0.374 17913 61 1 . 1 1 17 17 PRO HA H 17 4.375 4.375 4.538 -0.163 17913 62 1 . 1 1 17 17 PRO CA C 17 63.614 63.614 62.954 0.660 17913 63 1 . 1 1 17 17 PRO CB C 17 34.016 34.016 32.137 1.879 17913 64 1 . 1 1 18 18 GLN N N 18 120.610 120.610 123.063 -2.453 17913 65 1 . 1 1 18 18 GLN HA H 18 4.326 4.326 4.145 0.181 17913 66 1 . 1 1 18 18 GLN CA C 18 54.774 54.774 57.040 -2.266 17913 67 1 . 1 1 18 18 GLN CB C 18 30.867 30.867 29.595 1.272 17913 68 1 . 1 1 19 19 ASN N N 19 114.130 114.130 117.093 -2.963 17913 69 1 . 1 1 19 19 ASN HA H 19 4.877 4.877 4.956 -0.079 17913 70 1 . 1 1 19 19 ASN CA C 19 52.046 52.046 52.216 -0.170 17913 71 1 . 1 1 19 19 ASN CB C 19 44.116 44.116 40.663 3.452 17913 72 1 . 1 1 20 20 ASP N N 20 119.849 119.849 119.703 0.146 17913 73 1 . 1 1 20 20 ASP HA H 20 4.409 4.409 4.504 -0.095 17913 74 1 . 1 1 20 20 ASP CA C 20 56.761 56.761 56.073 0.688 17913 75 1 . 1 1 20 20 ASP CB C 20 40.427 40.427 40.809 -0.382 17913 76 1 . 1 1 21 21 ASP N N 21 116.249 116.249 117.265 -1.016 17913 77 1 . 1 1 21 21 ASP HA H 21 4.716 4.716 4.584 0.132 17913 78 1 . 1 1 21 21 ASP CA C 21 52.903 52.903 55.262 -2.359 17913 79 1 . 1 1 21 21 ASP CB C 21 39.519 39.519 40.979 -1.460 17913 80 1 . 1 1 22 22 GLU N N 22 119.836 119.836 118.803 1.033 17913 81 1 . 1 1 22 22 GLU HA H 22 5.306 5.306 5.049 0.257 17913 82 1 . 1 1 22 22 GLU CA C 22 54.842 54.842 55.882 -1.040 17913 83 1 . 1 1 22 22 GLU CB C 22 31.813 31.813 31.264 0.549 17913 84 1 . 1 1 23 23 LEU N N 23 124.087 124.087 121.257 2.830 17913 85 1 . 1 1 23 23 LEU HA H 23 4.351 4.351 4.635 -0.284 17913 86 1 . 1 1 23 23 LEU CA C 23 53.197 53.197 53.467 -0.270 17913 87 1 . 1 1 23 23 LEU CB C 23 45.612 45.612 44.852 0.760 17913 88 1 . 1 1 24 24 GLU N N 24 122.201 122.201 124.634 -2.433 17913 89 1 . 1 1 24 24 GLU HA H 24 4.564 4.564 4.358 0.206 17913 90 1 . 1 1 24 24 GLU CA C 24 56.198 56.198 56.489 -0.291 17913 91 1 . 1 1 24 24 GLU CB C 24 29.835 29.835 30.069 -0.234 17913 92 1 . 1 1 25 25 LEU N N 25 125.205 125.205 127.581 -2.376 17913 93 1 . 1 1 25 25 LEU HA H 25 4.611 4.611 4.652 -0.041 17913 94 1 . 1 1 25 25 LEU CA C 25 53.546 53.546 52.970 0.576 17913 95 1 . 1 1 25 25 LEU CB C 25 45.114 45.114 44.645 0.469 17913 96 1 . 1 1 26 26 ARG N N 26 124.847 124.847 125.045 -0.198 17913 97 1 . 1 1 26 26 ARG HA H 26 4.725 4.725 4.674 0.051 17913 98 1 . 1 1 26 26 ARG CA C 26 54.196 54.196 53.444 0.752 17913 99 1 . 1 1 26 26 ARG CB C 26 32.565 32.565 33.384 -0.819 17913 100 1 . 1 1 27 27 ASP N N 27 121.325 121.325 121.170 0.155 17913 101 1 . 1 1 27 27 ASP HA H 27 3.429 3.429 4.317 -0.888 17913 102 1 . 1 1 27 27 ASP CA C 27 56.050 56.050 55.317 0.733 17913 103 1 . 1 1 27 27 ASP CB C 27 40.214 40.214 40.505 -0.291 17913 104 1 . 1 1 28 28 GLY N N 28 113.421 113.421 111.437 1.984 17913 105 1 . 1 1 28 28 GLY CA C 28 44.889 44.889 45.403 -0.514 17913 106 1 . 1 1 29 29 ASP N N 29 122.317 122.317 119.837 2.480 17913 107 1 . 1 1 29 29 ASP HA H 29 4.456 4.456 4.802 -0.346 17913 108 1 . 1 1 29 29 ASP CA C 29 55.528 55.528 53.012 2.516 17913 109 1 . 1 1 29 29 ASP CB C 29 41.558 41.558 43.185 -1.627 17913 110 1 . 1 1 30 30 ILE N N 30 121.394 121.394 122.844 -1.450 17913 111 1 . 1 1 30 30 ILE HA H 30 5.001 5.001 5.297 -0.296 17913 112 1 . 1 1 30 30 ILE CA C 30 59.890 59.890 59.949 -0.059 17913 113 1 . 1 1 30 30 ILE CB C 30 38.220 38.220 39.706 -1.486 17913 114 1 . 1 1 31 31 VAL N N 31 124.770 124.770 126.795 -2.025 17913 115 1 . 1 1 31 31 VAL HA H 31 4.874 4.874 4.734 0.140 17913 116 1 . 1 1 31 31 VAL CA C 31 58.941 58.941 59.931 -0.989 17913 117 1 . 1 1 31 31 VAL CB C 31 35.084 35.084 36.050 -0.966 17913 118 1 . 1 1 32 32 ASP N N 32 124.983 124.983 129.398 -4.415 17913 119 1 . 1 1 32 32 ASP HA H 32 5.369 5.369 5.010 0.359 17913 120 1 . 1 1 32 32 ASP CA C 32 54.018 54.018 53.147 0.871 17913 121 1 . 1 1 32 32 ASP CB C 32 42.325 42.325 44.198 -1.873 17913 122 1 . 1 1 33 33 VAL N N 33 127.010 127.010 125.081 1.929 17913 123 1 . 1 1 33 33 VAL HA H 33 4.155 4.155 4.986 -0.831 17913 124 1 . 1 1 33 33 VAL CA C 33 64.228 64.228 61.464 2.764 17913 125 1 . 1 1 33 33 VAL CB C 33 33.262 33.262 32.321 0.941 17913 126 1 . 1 1 34 34 MET N N 34 126.236 126.236 127.162 -0.926 17913 127 1 . 1 1 34 34 MET HA H 34 4.646 4.646 4.491 0.155 17913 128 1 . 1 1 34 34 MET CA C 34 56.039 56.039 56.541 -0.502 17913 129 1 . 1 1 34 34 MET CB C 34 35.364 35.364 33.028 2.336 17913 130 1 . 1 1 35 35 GLU N N 35 118.007 118.007 118.138 -0.131 17913 131 1 . 1 1 35 35 GLU HA H 35 4.474 4.474 4.583 -0.109 17913 132 1 . 1 1 35 35 GLU CA C 35 55.556 55.556 55.516 0.039 17913 133 1 . 1 1 35 35 GLU CB C 35 33.470 33.470 33.235 0.235 17913 134 1 . 1 1 36 36 LYS N N 36 124.151 124.151 125.633 -1.482 17913 135 1 . 1 1 36 36 LYS HA H 36 4.361 4.361 4.896 -0.535 17913 136 1 . 1 1 36 36 LYS CA C 36 55.577 55.577 55.494 0.083 17913 137 1 . 1 1 36 36 LYS CB C 36 32.981 32.981 33.514 -0.533 17913 138 1 . 1 1 37 37 CYS N N 37 122.385 122.385 124.350 -1.965 17913 139 1 . 1 1 37 37 CYS HA H 37 4.592 4.592 4.549 0.043 17913 140 1 . 1 1 37 37 CYS CA C 37 58.377 58.377 58.413 -0.036 17913 141 1 . 1 1 37 37 CYS CB C 37 29.217 29.217 29.020 0.197 17913 142 1 . 1 1 38 38 ASP N N 38 123.591 123.591 124.655 -1.064 17913 143 1 . 1 1 38 38 ASP HA H 38 4.355 4.355 4.429 -0.074 17913 144 1 . 1 1 38 38 ASP CA C 38 56.755 56.755 56.659 0.096 17913 145 1 . 1 1 38 38 ASP CB C 38 40.300 40.300 40.922 -0.622 17913 146 1 . 1 1 39 39 ASP N N 39 117.190 117.190 117.400 -0.210 17913 147 1 . 1 1 39 39 ASP HA H 39 4.472 4.472 4.520 -0.048 17913 148 1 . 1 1 39 39 ASP CA C 39 53.216 53.216 54.196 -0.979 17913 149 1 . 1 1 39 39 ASP CB C 39 40.130 40.130 40.787 -0.657 17913 150 1 . 1 1 40 40 GLY N N 40 105.575 105.575 107.797 -2.222 17913 151 1 . 1 1 40 40 GLY CA C 40 44.975 44.975 44.755 0.220 17913 152 1 . 1 1 41 41 TRP N N 41 123.669 123.669 120.803 2.866 17913 153 1 . 1 1 41 41 TRP HA H 41 4.057 4.057 4.480 -0.423 17913 154 1 . 1 1 41 41 TRP CA C 41 58.452 58.452 55.117 3.335 17913 155 1 . 1 1 41 41 TRP CB C 41 27.230 27.230 30.166 -2.936 17913 156 1 . 1 1 42 42 PHE N N 42 120.474 120.474 117.173 3.301 17913 157 1 . 1 1 42 42 PHE HA H 42 5.342 5.342 5.410 -0.068 17913 158 1 . 1 1 42 42 PHE CA C 42 51.448 51.448 55.554 -4.106 17913 159 1 . 1 1 42 42 PHE CB C 42 40.630 40.630 41.626 -0.996 17913 160 1 . 1 1 43 43 VAL N N 43 121.847 121.847 119.489 2.358 17913 161 1 . 1 1 43 43 VAL HA H 43 4.623 4.623 4.208 0.415 17913 162 1 . 1 1 43 43 VAL CA C 43 61.175 61.175 61.801 -0.626 17913 163 1 . 1 1 43 43 VAL CB C 43 34.518 34.518 32.648 1.870 17913 164 1 . 1 1 44 44 GLY N N 44 113.784 113.784 109.638 4.146 17913 165 1 . 1 1 44 44 GLY CA C 44 46.888 46.888 44.761 2.127 17913 166 1 . 1 1 45 45 THR N N 45 112.652 112.652 117.512 -4.860 17913 167 1 . 1 1 45 45 THR HA H 45 5.506 5.506 5.222 0.284 17913 168 1 . 1 1 45 45 THR CA C 45 60.396 60.396 61.463 -1.068 17913 169 1 . 1 1 45 45 THR CB C 45 71.151 71.151 70.895 0.256 17913 170 1 . 1 1 46 46 SER N N 46 119.945 119.945 120.575 -0.630 17913 171 1 . 1 1 46 46 SER HA H 46 4.496 4.496 4.726 -0.230 17913 172 1 . 1 1 46 46 SER CA C 46 57.007 57.007 57.145 -0.138 17913 173 1 . 1 1 46 46 SER CB C 46 63.816 63.816 64.325 -0.509 17913 174 1 . 1 1 47 47 ARG N N 47 128.825 128.825 127.617 1.208 17913 175 1 . 1 1 47 47 ARG HA H 47 4.217 4.217 4.194 0.023 17913 176 1 . 1 1 47 47 ARG CA C 47 59.482 59.482 57.729 1.753 17913 177 1 . 1 1 47 47 ARG CB C 47 29.995 29.995 29.989 0.006 17913 178 1 . 1 1 48 48 ARG N N 48 118.813 118.813 118.284 0.529 17913 179 1 . 1 1 48 48 ARG HA H 48 4.216 4.216 4.299 -0.083 17913 180 1 . 1 1 48 48 ARG CA C 48 59.206 59.206 58.699 0.507 17913 181 1 . 1 1 48 48 ARG CB C 48 30.978 30.978 30.431 0.547 17913 182 1 . 1 1 49 49 THR N N 49 105.015 105.015 111.302 -6.287 17913 183 1 . 1 1 49 49 THR HA H 49 4.320 4.320 4.342 -0.022 17913 184 1 . 1 1 49 49 THR CA C 49 61.456 61.456 61.524 -0.068 17913 185 1 . 1 1 49 49 THR CB C 49 70.527 70.527 69.188 1.339 17913 186 1 . 1 1 50 50 LYS N N 50 115.674 115.674 118.211 -2.537 17913 187 1 . 1 1 50 50 LYS HA H 50 4.045 4.045 4.023 0.022 17913 188 1 . 1 1 50 50 LYS CA C 50 57.858 57.858 57.477 0.381 17913 189 1 . 1 1 50 50 LYS CB C 50 29.040 29.040 29.381 -0.341 17913 190 1 . 1 1 51 51 GLN N N 51 118.027 118.027 116.338 1.689 17913 191 1 . 1 1 51 51 GLN HA H 51 4.402 4.402 4.421 -0.019 17913 192 1 . 1 1 51 51 GLN CA C 51 55.577 55.577 54.601 0.976 17913 193 1 . 1 1 51 51 GLN CB C 51 29.802 29.802 31.122 -1.320 17913 194 1 . 1 1 52 52 PHE N N 52 122.149 122.149 119.383 2.766 17913 195 1 . 1 1 52 52 PHE HA H 52 5.577 5.577 5.518 0.059 17913 196 1 . 1 1 52 52 PHE CA C 52 55.515 55.515 56.479 -0.964 17913 197 1 . 1 1 52 52 PHE CB C 52 42.919 42.919 40.587 2.332 17913 198 1 . 1 1 53 53 GLY N N 53 113.270 113.270 112.836 0.434 17913 199 1 . 1 1 53 53 GLY CA C 53 45.554 45.554 44.151 1.403 17913 200 1 . 1 1 54 54 THR N N 54 113.615 113.615 117.137 -3.522 17913 201 1 . 1 1 54 54 THR HA H 54 6.034 6.034 5.087 0.947 17913 202 1 . 1 1 54 54 THR CA C 54 57.841 57.841 60.716 -2.875 17913 203 1 . 1 1 54 54 THR CB C 54 71.605 71.605 70.286 1.319 17913 204 1 . 1 1 55 55 PHE N N 55 123.708 123.708 121.487 2.221 17913 205 1 . 1 1 55 55 PHE HA H 55 4.850 4.850 4.821 0.029 17913 206 1 . 1 1 55 55 PHE CA C 55 55.052 55.052 55.346 -0.294 17913 207 1 . 1 1 55 55 PHE CB C 55 37.218 37.218 38.341 -1.123 17913 208 1 . 1 1 56 56 PRO HA H 56 2.269 2.269 3.851 -1.582 17913 209 1 . 1 1 56 56 PRO CA C 56 61.844 61.844 63.032 -1.188 17913 210 1 . 1 1 56 56 PRO CB C 56 31.045 31.045 31.206 -0.160 17913 211 1 . 1 1 57 57 GLY N N 57 112.583 112.583 109.762 2.821 17913 212 1 . 1 1 57 57 GLY CA C 57 44.596 44.596 45.167 -0.571 17913 213 1 . 1 1 58 58 ASN N N 58 112.820 112.820 116.824 -4.004 17913 214 1 . 1 1 58 58 ASN HA H 58 4.623 4.623 4.671 -0.048 17913 215 1 . 1 1 58 58 ASN CA C 58 52.873 52.873 52.882 -0.009 17913 216 1 . 1 1 58 58 ASN CB C 58 35.033 35.033 37.973 -2.940 17913 217 1 . 1 1 59 59 TYR N N 59 119.700 119.700 119.140 0.560 17913 218 1 . 1 1 59 59 TYR HA H 59 4.656 4.656 4.625 0.031 17913 219 1 . 1 1 59 59 TYR CA C 59 58.197 58.197 57.606 0.591 17913 220 1 . 1 1 59 59 TYR CB C 59 37.501 37.501 40.332 -2.831 17913 221 1 . 1 1 60 60 VAL N N 60 108.984 108.984 118.706 -9.722 17913 222 1 . 1 1 60 60 VAL HA H 60 5.454 5.454 4.138 1.316 17913 223 1 . 1 1 60 60 VAL CA C 60 58.191 58.191 59.932 -1.741 17913 224 1 . 1 1 60 60 VAL CB C 60 36.682 36.682 34.567 2.115 17913 225 1 . 1 1 61 61 LYS N N 61 118.836 118.836 124.412 -5.576 17913 226 1 . 1 1 61 61 LYS HA H 61 5.247 5.247 5.031 0.216 17913 227 1 . 1 1 61 61 LYS CA C 61 52.652 52.652 52.988 -0.336 17913 228 1 . 1 1 61 61 LYS CB C 61 34.744 34.744 33.431 1.313 17913 229 1 . 1 1 62 62 PRO HA H 62 3.516 3.516 3.973 -0.457 17913 230 1 . 1 1 62 62 PRO CA C 62 62.930 62.930 62.963 -0.033 17913 231 1 . 1 1 62 62 PRO CB C 62 31.833 31.833 31.967 -0.134 17913 232 1 . 1 1 63 63 LEU N N 63 122.539 122.539 122.901 -0.362 17913 233 1 . 1 1 63 63 LEU HA H 63 4.194 4.194 4.137 0.057 17913 234 1 . 1 1 63 63 LEU CA C 63 54.689 54.689 55.307 -0.618 17913 235 1 . 1 1 63 63 LEU CB C 63 42.768 42.768 41.892 0.876 17913 stop_ save_