data_19627 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19627 _Entry.PDB_ID 2MHD 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 19627 _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 ASP HA H 2 4.520 4.520 4.556 -0.036 19627 2 1 1 . 1 1 2 2 ASP CA C 2 55.206 55.206 55.242 -0.036 19627 3 1 1 . 1 1 2 2 ASP CB C 2 41.225 41.225 40.520 0.704 19627 4 1 1 . 1 1 3 3 GLU N N 3 119.869 119.869 118.386 1.483 19627 5 1 1 . 1 1 3 3 GLU HA H 3 4.199 4.199 3.970 0.229 19627 6 1 1 . 1 1 3 3 GLU CA C 3 57.029 57.029 57.690 -0.660 19627 7 1 1 . 1 1 3 3 GLU CB C 3 29.820 29.820 27.547 2.272 19627 8 1 1 . 1 1 4 4 ASP N N 4 119.650 119.650 118.679 0.971 19627 9 1 1 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.826 -0.386 19627 10 1 1 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.324 0.794 19627 11 1 1 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.815 -0.570 19627 12 1 1 . 1 1 5 5 ASP N N 5 119.339 119.339 118.647 0.692 19627 13 1 1 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.801 -0.171 19627 14 1 1 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.468 0.293 19627 15 1 1 . 1 1 5 5 ASP CB C 5 40.866 40.866 40.963 -0.097 19627 16 1 1 . 1 1 6 6 LYS N N 6 121.265 121.265 119.504 1.761 19627 17 1 1 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.550 -0.333 19627 18 1 1 . 1 1 6 6 LYS CA C 6 56.109 56.109 54.797 1.312 19627 19 1 1 . 1 1 6 6 LYS CB C 6 33.916 33.916 36.250 -2.334 19627 20 1 1 . 1 1 7 7 VAL N N 7 122.743 122.743 122.759 -0.016 19627 21 1 1 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.011 0.040 19627 22 1 1 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.956 -0.452 19627 23 1 1 . 1 1 7 7 VAL CB C 7 33.738 33.738 30.996 2.742 19627 24 1 1 . 1 1 8 8 GLU N N 8 129.254 129.254 126.749 2.505 19627 25 1 1 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.390 0.214 19627 26 1 1 . 1 1 8 8 GLU CA C 8 54.083 54.083 56.319 -2.236 19627 27 1 1 . 1 1 8 8 GLU CB C 8 30.047 30.047 30.510 -0.463 19627 28 1 1 . 1 1 9 9 ILE N N 9 123.662 123.662 124.719 -1.057 19627 29 1 1 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.099 -0.280 19627 30 1 1 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.960 -1.534 19627 31 1 1 . 1 1 9 9 ILE CB C 9 34.840 34.840 36.399 -1.559 19627 32 1 1 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.350 -0.012 19627 33 1 1 . 1 1 10 10 PRO CA C 10 65.786 65.786 65.139 0.647 19627 34 1 1 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.338 0.521 19627 35 1 1 . 1 1 11 11 GLN N N 11 112.602 112.602 117.634 -5.032 19627 36 1 1 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.305 -0.083 19627 37 1 1 . 1 1 11 11 GLN C C 11 176.461 176.461 177.855 -1.394 19627 38 1 1 . 1 1 11 11 GLN CA C 11 55.805 55.805 57.898 -2.093 19627 39 1 1 . 1 1 11 11 GLN CB C 11 27.861 27.861 27.982 -0.121 19627 40 1 1 . 1 1 12 12 LEU N N 12 119.555 119.555 121.680 -2.125 19627 41 1 1 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.243 -0.335 19627 42 1 1 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.530 0.585 19627 43 1 1 . 1 1 12 12 LEU CB C 12 43.303 43.303 42.333 0.970 19627 44 1 1 . 1 1 13 13 VAL N N 13 112.720 112.720 116.095 -3.375 19627 45 1 1 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.236 -0.484 19627 46 1 1 . 1 1 13 13 VAL CA C 13 64.717 64.717 62.439 2.278 19627 47 1 1 . 1 1 13 13 VAL CB C 13 32.029 32.029 31.460 0.569 19627 48 1 1 . 1 1 14 14 GLY N N 14 116.042 116.042 108.382 7.660 19627 49 1 1 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.429 -0.678 19627 50 1 1 . 1 1 15 15 LYS N N 15 120.788 120.788 118.957 1.831 19627 51 1 1 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.543 0.642 19627 52 1 1 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.941 -1.144 19627 53 1 1 . 1 1 15 15 LYS CB C 15 35.159 35.159 33.721 1.438 19627 54 1 1 . 1 1 16 16 TRP N N 16 123.983 123.983 121.908 2.075 19627 55 1 1 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.936 -0.021 19627 56 1 1 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.444 -0.644 19627 57 1 1 . 1 1 16 16 TRP CB C 16 34.179 34.179 31.809 2.370 19627 58 1 1 . 1 1 17 17 ILE N N 17 122.229 122.229 124.030 -1.801 19627 59 1 1 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.695 0.197 19627 60 1 1 . 1 1 17 17 ILE CA C 17 58.782 58.782 60.587 -1.805 19627 61 1 1 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.015 0.569 19627 62 1 1 . 1 1 18 18 VAL N N 18 126.326 126.326 128.358 -2.032 19627 63 1 1 . 1 1 18 18 VAL HA H 18 3.841 3.841 3.961 -0.120 19627 64 1 1 . 1 1 18 18 VAL CA C 18 64.643 64.643 64.407 0.236 19627 65 1 1 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.491 0.077 19627 66 1 1 . 1 1 19 19 LYS N N 19 129.061 129.061 121.943 7.118 19627 67 1 1 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.236 0.220 19627 68 1 1 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.735 -2.211 19627 69 1 1 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.912 2.261 19627 70 1 1 . 1 1 20 20 GLU N N 20 118.305 118.305 119.467 -1.162 19627 71 1 1 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.565 -0.175 19627 72 1 1 . 1 1 20 20 GLU CA C 20 54.118 54.118 54.837 -0.719 19627 73 1 1 . 1 1 20 20 GLU CB C 20 33.513 33.513 32.361 1.152 19627 74 1 1 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.457 0.150 19627 75 1 1 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.828 -0.198 19627 76 1 1 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.473 2.317 19627 77 1 1 . 1 1 22 22 VAL N N 22 119.998 119.998 119.248 0.750 19627 78 1 1 . 1 1 22 22 VAL HA H 22 4.017 4.017 4.286 -0.269 19627 79 1 1 . 1 1 22 22 VAL CA C 22 62.374 62.374 60.515 1.859 19627 80 1 1 . 1 1 22 22 VAL CB C 22 32.937 32.937 33.630 -0.693 19627 81 1 1 . 1 1 23 23 LEU N N 23 128.343 128.343 128.193 0.150 19627 82 1 1 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.510 -0.063 19627 83 1 1 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.710 -0.520 19627 84 1 1 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.654 0.174 19627 85 1 1 . 1 1 24 24 GLN N N 24 117.971 117.971 119.692 -1.721 19627 86 1 1 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.247 0.013 19627 87 1 1 . 1 1 24 24 GLN CA C 24 55.598 55.598 56.334 -0.736 19627 88 1 1 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.097 1.007 19627 89 1 1 . 1 1 25 25 ASP N N 25 117.501 117.501 118.359 -0.858 19627 90 1 1 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.294 -0.088 19627 91 1 1 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.241 0.528 19627 92 1 1 . 1 1 25 25 ASP CB C 25 39.962 39.962 39.978 -0.016 19627 93 1 1 . 1 1 26 26 ASP N N 26 112.782 112.782 113.311 -0.529 19627 94 1 1 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.263 0.072 19627 95 1 1 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.464 -0.305 19627 96 1 1 . 1 1 26 26 ASP CB C 26 39.737 39.737 39.436 0.301 19627 97 1 1 . 1 1 27 27 PHE N N 27 118.623 118.623 118.898 -0.275 19627 98 1 1 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.697 -0.270 19627 99 1 1 . 1 1 27 27 PHE CA C 27 58.011 58.011 57.671 0.340 19627 100 1 1 . 1 1 27 27 PHE CB C 27 40.533 40.533 38.934 1.599 19627 101 1 1 . 1 1 28 28 VAL N N 28 119.117 119.117 120.792 -1.675 19627 102 1 1 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.701 -0.201 19627 103 1 1 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.245 0.655 19627 104 1 1 . 1 1 28 28 VAL CB C 28 36.175 36.175 34.973 1.202 19627 105 1 1 . 1 1 29 29 THR N N 29 124.304 124.304 118.967 5.337 19627 106 1 1 . 1 1 29 29 THR HA H 29 5.212 5.212 5.001 0.211 19627 107 1 1 . 1 1 29 29 THR CA C 29 62.051 62.051 62.099 -0.049 19627 108 1 1 . 1 1 29 29 THR CB C 29 70.541 70.541 72.298 -1.757 19627 109 1 1 . 1 1 30 30 CYS N N 30 123.969 123.969 124.387 -0.418 19627 110 1 1 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.459 0.122 19627 111 1 1 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.684 -0.618 19627 112 1 1 . 1 1 30 30 CYS CB C 30 31.010 31.010 29.058 1.952 19627 113 1 1 . 1 1 31 31 TYR N N 31 125.131 125.131 129.091 -3.960 19627 114 1 1 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.999 0.166 19627 115 1 1 . 1 1 31 31 TYR CA C 31 57.270 57.270 57.988 -0.718 19627 116 1 1 . 1 1 31 31 TYR CB C 31 43.631 43.631 39.882 3.749 19627 117 1 1 . 1 1 32 32 THR N N 32 118.682 118.682 119.494 -0.812 19627 118 1 1 . 1 1 32 32 THR HA H 32 5.122 5.122 4.875 0.247 19627 119 1 1 . 1 1 32 32 THR CA C 32 61.828 61.828 61.240 0.588 19627 120 1 1 . 1 1 32 32 THR CB C 32 70.848 70.848 69.742 1.106 19627 121 1 1 . 1 1 33 33 PHE N N 33 123.161 123.161 126.367 -3.206 19627 122 1 1 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.649 0.195 19627 123 1 1 . 1 1 33 33 PHE CA C 33 57.983 57.983 58.341 -0.358 19627 124 1 1 . 1 1 33 33 PHE CB C 33 40.905 40.905 39.819 1.086 19627 125 1 1 . 1 1 34 34 ASN N N 34 119.699 119.699 117.961 1.738 19627 126 1 1 . 1 1 34 34 ASN HA H 34 5.355 5.355 5.121 0.234 19627 127 1 1 . 1 1 34 34 ASN CA C 34 52.483 52.483 52.014 0.469 19627 128 1 1 . 1 1 34 34 ASN CB C 34 41.443 41.443 42.009 -0.566 19627 129 1 1 . 1 1 35 35 ALA N N 35 128.044 128.044 123.565 4.479 19627 130 1 1 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.290 -0.123 19627 131 1 1 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.596 0.218 19627 132 1 1 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.091 -0.686 19627 133 1 1 . 1 1 36 36 ASP N N 36 116.944 116.944 114.701 2.243 19627 134 1 1 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.826 -0.389 19627 135 1 1 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.499 -1.104 19627 136 1 1 . 1 1 36 36 ASP CB C 36 39.512 39.512 40.158 -0.646 19627 137 1 1 . 1 1 37 37 LYS N N 37 108.202 108.202 119.348 -11.146 19627 138 1 1 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.426 -1.162 19627 139 1 1 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.026 2.047 19627 140 1 1 . 1 1 37 37 LYS CB C 37 27.597 27.597 34.128 -6.531 19627 141 1 1 . 1 1 38 38 THR N N 38 107.877 107.877 109.517 -1.640 19627 142 1 1 . 1 1 38 38 THR HA H 38 5.403 5.403 5.224 0.179 19627 143 1 1 . 1 1 38 38 THR CA C 38 61.011 61.011 60.908 0.103 19627 144 1 1 . 1 1 38 38 THR CB C 38 72.829 72.829 71.653 1.176 19627 145 1 1 . 1 1 39 39 TYR N N 39 117.837 117.837 116.500 1.337 19627 146 1 1 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.509 0.205 19627 147 1 1 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.994 -0.252 19627 148 1 1 . 1 1 39 39 TYR CB C 39 43.579 43.579 42.352 1.227 19627 149 1 1 . 1 1 40 40 GLU N N 40 118.677 118.677 119.476 -0.799 19627 150 1 1 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.136 0.117 19627 151 1 1 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.681 -0.622 19627 152 1 1 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.341 0.614 19627 153 1 1 . 1 1 41 41 VAL N N 41 121.838 121.838 120.783 1.055 19627 154 1 1 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.574 0.585 19627 155 1 1 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.432 0.108 19627 156 1 1 . 1 1 41 41 VAL CB C 41 35.324 35.324 36.268 -0.944 19627 157 1 1 . 1 1 42 42 TYR N N 42 126.740 126.740 123.212 3.528 19627 158 1 1 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.805 0.010 19627 159 1 1 . 1 1 42 42 TYR CA C 42 56.841 56.841 57.769 -0.928 19627 160 1 1 . 1 1 42 42 TYR CB C 42 42.293 42.293 41.163 1.130 19627 161 1 1 . 1 1 43 43 THR N N 43 122.111 122.111 122.903 -0.792 19627 162 1 1 . 1 1 43 43 THR HA H 43 5.126 5.126 4.562 0.564 19627 163 1 1 . 1 1 43 43 THR CA C 43 60.915 60.915 61.021 -0.106 19627 164 1 1 . 1 1 43 43 THR CB C 43 70.667 70.667 71.244 -0.577 19627 165 1 1 . 1 1 44 44 GLY N N 44 112.123 112.123 111.869 0.254 19627 166 1 1 . 1 1 44 44 GLY CA C 44 45.038 45.038 44.630 0.408 19627 167 1 1 . 1 1 45 45 SER N N 45 118.181 118.181 116.889 1.292 19627 168 1 1 . 1 1 45 45 SER HA H 45 4.736 4.736 4.521 0.215 19627 169 1 1 . 1 1 45 45 SER CA C 45 55.721 55.721 58.316 -2.595 19627 170 1 1 . 1 1 45 45 SER CB C 45 64.234 64.234 62.123 2.111 19627 171 1 1 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.574 -0.296 19627 172 1 1 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.462 0.441 19627 173 1 1 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.581 -0.482 19627 174 1 1 . 1 1 47 47 LEU N N 47 115.053 115.053 116.658 -1.605 19627 175 1 1 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.493 -0.217 19627 176 1 1 . 1 1 47 47 LEU CA C 47 54.820 54.820 55.379 -0.559 19627 177 1 1 . 1 1 47 47 LEU CB C 47 42.497 42.497 43.413 -0.916 19627 178 1 1 . 1 1 48 48 SER N N 48 114.930 114.930 113.394 1.536 19627 179 1 1 . 1 1 48 48 SER HA H 48 4.418 4.418 4.685 -0.267 19627 180 1 1 . 1 1 48 48 SER CA C 48 57.896 57.896 57.807 0.089 19627 181 1 1 . 1 1 48 48 SER CB C 48 64.328 64.328 65.239 -0.911 19627 182 1 1 . 1 1 49 49 ASN N N 49 121.801 121.801 117.061 4.740 19627 183 1 1 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.710 -0.027 19627 184 1 1 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.300 -0.052 19627 185 1 1 . 1 1 49 49 ASN CB C 49 39.147 39.147 38.992 0.155 19627 186 1 1 . 1 1 50 50 GLY N N 50 108.685 108.685 110.090 -1.405 19627 187 1 1 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.384 -0.335 19627 188 1 1 . 1 1 51 51 VAL N N 51 121.162 121.162 122.969 -1.807 19627 189 1 1 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.399 -0.005 19627 190 1 1 . 1 1 51 51 VAL CA C 51 59.658 59.658 60.052 -0.394 19627 191 1 1 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.297 1.187 19627 192 1 1 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.656 0.005 19627 193 1 1 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.449 0.444 19627 194 1 1 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.780 0.116 19627 195 1 1 . 1 1 53 53 PHE N N 53 123.537 123.537 120.335 3.202 19627 196 1 1 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.659 -0.081 19627 197 1 1 . 1 1 53 53 PHE CA C 53 57.762 57.762 56.621 1.141 19627 198 1 1 . 1 1 53 53 PHE CB C 53 40.652 40.652 42.185 -1.534 19627 199 1 1 . 1 1 54 54 ARG N N 54 124.570 124.570 122.236 2.334 19627 200 1 1 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.785 0.109 19627 201 1 1 . 1 1 54 54 ARG CA C 54 54.601 54.601 53.871 0.730 19627 202 1 1 . 1 1 54 54 ARG CB C 54 33.401 33.401 33.964 -0.563 19627 203 1 1 . 1 1 55 55 GLY N N 55 107.998 107.998 107.703 0.295 19627 204 1 1 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.110 0.432 19627 205 1 1 . 1 1 56 56 THR N N 56 114.021 114.021 112.744 1.277 19627 206 1 1 . 1 1 56 56 THR HA H 56 5.777 5.777 5.106 0.671 19627 207 1 1 . 1 1 56 56 THR CA C 56 60.409 60.409 59.971 0.438 19627 208 1 1 . 1 1 56 56 THR CB C 56 72.641 72.641 71.749 0.892 19627 209 1 1 . 1 1 57 57 TYR N N 57 115.684 115.684 117.303 -1.619 19627 210 1 1 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.257 0.999 19627 211 1 1 . 1 1 57 57 TYR CA C 57 55.645 55.645 55.530 0.115 19627 212 1 1 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.394 1.958 19627 213 1 1 . 1 1 58 58 ILE N N 58 118.048 118.048 120.480 -2.432 19627 214 1 1 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.540 -0.185 19627 215 1 1 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.461 -0.452 19627 216 1 1 . 1 1 58 58 ILE CB C 58 42.925 42.925 41.494 1.431 19627 217 1 1 . 1 1 59 59 ILE N N 59 124.887 124.887 124.311 0.576 19627 218 1 1 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.982 0.022 19627 219 1 1 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.620 -1.345 19627 220 1 1 . 1 1 59 59 ILE CB C 59 40.709 40.709 41.944 -1.235 19627 221 1 1 . 1 1 60 60 SER N N 60 122.768 122.768 117.107 5.661 19627 222 1 1 . 1 1 60 60 SER HA H 60 4.835 4.835 4.837 -0.002 19627 223 1 1 . 1 1 60 60 SER CA C 60 55.735 55.735 56.576 -0.841 19627 224 1 1 . 1 1 60 60 SER CB C 60 63.250 63.250 65.103 -1.853 19627 225 1 1 . 1 1 61 61 LEU N N 61 129.303 129.303 123.921 5.382 19627 226 1 1 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.224 -0.378 19627 227 1 1 . 1 1 61 61 LEU CA C 61 58.659 58.659 56.931 1.728 19627 228 1 1 . 1 1 61 61 LEU CB C 61 41.962 41.962 41.812 0.150 19627 229 1 1 . 1 1 62 62 ASP N N 62 118.454 118.454 121.246 -2.792 19627 230 1 1 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.326 -0.023 19627 231 1 1 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.795 0.319 19627 232 1 1 . 1 1 62 62 ASP CB C 62 40.178 40.178 40.420 -0.242 19627 233 1 1 . 1 1 63 63 GLU N N 63 115.083 115.083 116.488 -1.405 19627 234 1 1 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.385 -0.154 19627 235 1 1 . 1 1 63 63 GLU CA C 63 55.915 55.915 55.331 0.584 19627 236 1 1 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.050 2.348 19627 237 1 1 . 1 1 64 64 LYS N N 64 117.578 117.578 119.364 -1.786 19627 238 1 1 . 1 1 65 65 LEU N N 65 119.527 119.527 120.997 -1.470 19627 239 1 1 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.689 0.461 19627 240 1 1 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.248 0.107 19627 241 1 1 . 1 1 65 65 LEU CB C 65 47.627 47.627 46.303 1.324 19627 242 1 1 . 1 1 66 66 ILE N N 66 123.527 123.527 123.436 0.091 19627 243 1 1 . 1 1 66 66 ILE HA H 66 5.003 5.003 4.664 0.339 19627 244 1 1 . 1 1 66 66 ILE CA C 66 58.348 58.348 60.324 -1.976 19627 245 1 1 . 1 1 66 66 ILE CB C 66 42.093 42.093 41.296 0.797 19627 246 1 1 . 1 1 67 67 LYS N N 67 125.168 125.168 127.964 -2.796 19627 247 1 1 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.681 -0.274 19627 248 1 1 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.842 0.440 19627 249 1 1 . 1 1 67 67 LYS CB C 67 36.248 36.248 35.658 0.590 19627 250 1 1 . 1 1 68 68 LEU N N 68 123.218 123.218 124.727 -1.509 19627 251 1 1 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.627 0.171 19627 252 1 1 . 1 1 68 68 LEU CA C 68 54.830 54.830 54.614 0.216 19627 253 1 1 . 1 1 68 68 LEU CB C 68 40.826 40.826 43.526 -2.700 19627 254 1 1 . 1 1 69 69 TYR N N 69 119.751 119.751 120.606 -0.855 19627 255 1 1 . 1 1 69 69 TYR HA H 69 5.424 5.424 4.760 0.664 19627 256 1 1 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.923 -0.757 19627 257 1 1 . 1 1 69 69 TYR CB C 69 42.319 42.319 42.298 0.021 19627 258 1 1 . 1 1 70 70 ASP N N 70 120.335 120.335 122.903 -2.568 19627 259 1 1 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.095 -0.053 19627 260 1 1 . 1 1 70 70 ASP CA C 70 52.428 52.428 54.743 -2.315 19627 261 1 1 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.253 -0.043 19627 262 1 1 . 1 1 71 71 LYS N N 71 117.975 117.975 120.527 -2.552 19627 263 1 1 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.113 0.092 19627 264 1 1 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.612 -0.423 19627 265 1 1 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.329 0.895 19627 266 1 1 . 1 1 72 72 GLU N N 72 119.779 119.779 118.359 1.420 19627 267 1 1 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.420 -0.144 19627 268 1 1 . 1 1 72 72 GLU CA C 72 55.823 55.823 55.271 0.552 19627 269 1 1 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.008 0.631 19627 270 1 1 . 1 1 73 73 GLU N N 73 112.572 112.572 118.587 -6.015 19627 271 1 1 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.262 -0.656 19627 272 1 1 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.671 0.420 19627 273 1 1 . 1 1 73 73 GLU CB C 73 26.900 26.900 28.260 -1.360 19627 274 1 1 . 1 1 74 74 HIS N N 74 118.561 118.561 112.955 5.606 19627 275 1 1 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.770 0.102 19627 276 1 1 . 1 1 74 74 HIS CA C 74 54.491 54.491 53.937 0.554 19627 277 1 1 . 1 1 74 74 HIS CB C 74 28.650 28.650 29.531 -0.881 19627 278 1 1 . 1 1 75 75 CYS N N 75 126.459 126.459 115.842 10.617 19627 279 1 1 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.497 0.553 19627 280 1 1 . 1 1 75 75 CYS CA C 75 58.539 58.539 59.390 -0.851 19627 281 1 1 . 1 1 75 75 CYS CB C 75 26.305 26.305 27.390 -1.085 19627 282 1 1 . 1 1 76 76 THR N N 76 123.868 123.868 114.437 9.431 19627 283 1 1 . 1 1 76 76 THR HA H 76 4.115 4.115 4.400 -0.285 19627 284 1 1 . 1 1 76 76 THR CA C 76 62.701 62.701 62.299 0.402 19627 285 1 1 . 1 1 76 76 THR CB C 76 68.451 68.451 70.317 -1.866 19627 286 1 1 . 1 1 77 77 GLU N N 77 120.185 120.185 120.129 0.056 19627 287 1 1 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.625 -0.450 19627 288 1 1 . 1 1 77 77 GLU CA C 77 54.697 54.697 54.850 -0.153 19627 289 1 1 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.327 0.773 19627 290 1 1 . 1 1 78 78 GLN N N 78 118.401 118.401 118.946 -0.545 19627 291 1 1 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.797 -0.100 19627 292 1 1 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.048 -0.115 19627 293 1 1 . 1 1 78 78 GLN CB C 78 31.842 31.842 31.680 0.162 19627 294 1 1 . 1 1 79 79 TYR N N 79 116.069 116.069 116.537 -0.468 19627 295 1 1 . 1 1 79 79 TYR HA H 79 4.850 4.850 5.059 -0.209 19627 296 1 1 . 1 1 79 79 TYR CA C 79 55.999 55.999 54.726 1.273 19627 297 1 1 . 1 1 79 79 TYR CB C 79 41.813 41.813 40.164 1.649 19627 298 1 1 . 1 1 80 80 HIS N N 80 119.747 119.747 119.189 0.558 19627 299 1 1 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.672 0.501 19627 300 1 1 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.540 -0.419 19627 301 1 1 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.587 -1.867 19627 302 1 1 . 1 1 81 81 ILE N N 81 126.268 126.268 125.282 0.986 19627 303 1 1 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.781 0.439 19627 304 1 1 . 1 1 81 81 ILE CA C 81 61.739 61.739 62.186 -0.447 19627 305 1 1 . 1 1 81 81 ILE CB C 81 38.354 38.354 36.459 1.895 19627 306 1 1 . 1 1 82 82 LEU N N 82 127.552 127.552 128.677 -1.125 19627 307 1 1 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.158 -0.064 19627 308 1 1 . 1 1 82 82 LEU CA C 82 55.392 55.392 57.677 -2.285 19627 309 1 1 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.578 0.537 19627 310 1 1 . 1 1 83 83 LYS N N 83 115.809 115.809 114.955 0.854 19627 311 1 1 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.582 -0.382 19627 312 1 1 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.095 0.598 19627 313 1 1 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.004 0.918 19627 314 1 1 . 1 1 84 84 LEU N N 84 129.953 129.953 122.377 7.576 19627 315 1 1 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.320 -0.486 19627 316 1 1 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.520 0.094 19627 317 1 1 . 1 1 84 84 LEU CB C 84 43.767 43.767 46.273 -2.506 19627 318 1 1 . 1 1 85 85 THR N N 85 119.648 119.648 111.953 7.695 19627 319 1 1 . 1 1 85 85 THR HA H 85 4.897 4.897 4.953 -0.056 19627 320 1 1 . 1 1 85 85 THR CA C 85 58.717 58.717 59.752 -1.035 19627 321 1 1 . 1 1 85 85 THR CB C 85 72.356 72.356 71.583 0.773 19627 322 1 1 . 1 1 86 86 SER N N 86 108.790 108.790 116.782 -7.992 19627 323 1 1 . 1 1 86 86 SER HA H 86 4.165 4.165 4.231 -0.066 19627 324 1 1 . 1 1 86 86 SER CA C 86 60.370 60.370 61.629 -1.259 19627 325 1 1 . 1 1 86 86 SER CB C 86 63.258 63.258 62.909 0.349 19627 326 1 1 . 1 1 87 87 LYS N N 87 116.161 116.161 112.889 3.272 19627 327 1 1 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.413 0.101 19627 328 1 1 . 1 1 87 87 LYS CA C 87 56.479 56.479 55.571 0.908 19627 329 1 1 . 1 1 87 87 LYS CB C 87 36.364 36.364 33.443 2.921 19627 330 1 1 . 1 1 88 88 GLU N N 88 119.485 119.485 120.671 -1.186 19627 331 1 1 . 1 1 88 88 GLU HA H 88 5.463 5.463 5.018 0.445 19627 332 1 1 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.746 -0.151 19627 333 1 1 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.988 1.613 19627 334 1 1 . 1 1 89 89 MET N N 89 122.595 122.595 126.142 -3.547 19627 335 1 1 . 1 1 89 89 MET HA H 89 4.940 4.940 5.024 -0.084 19627 336 1 1 . 1 1 89 89 MET CA C 89 53.785 53.785 54.576 -0.791 19627 337 1 1 . 1 1 89 89 MET CB C 89 36.210 36.210 36.323 -0.113 19627 338 1 1 . 1 1 90 90 LYS N N 90 124.449 124.449 127.081 -2.632 19627 339 1 1 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.799 -0.004 19627 340 1 1 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.011 0.342 19627 341 1 1 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.271 3.492 19627 342 1 1 . 1 1 91 91 TRP N N 91 125.457 125.457 126.753 -1.296 19627 343 1 1 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.971 0.543 19627 344 1 1 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.606 -3.096 19627 345 1 1 . 1 1 91 91 TRP CB C 91 34.752 34.752 29.503 5.249 19627 346 1 1 . 1 1 92 92 GLU N N 92 123.111 123.111 125.943 -2.832 19627 347 1 1 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.337 0.538 19627 348 1 1 . 1 1 92 92 GLU C C 92 176.109 176.109 176.888 -0.779 19627 349 1 1 . 1 1 92 92 GLU CA C 92 53.610 53.610 56.192 -2.582 19627 350 1 1 . 1 1 92 92 GLU CB C 92 33.384 33.384 31.803 1.581 19627 351 1 1 . 1 1 93 93 ASN N N 93 126.757 126.757 126.214 0.543 19627 352 1 1 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.414 -0.011 19627 353 1 1 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.732 -1.740 19627 354 1 1 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.358 -0.755 19627 355 1 1 . 1 1 94 94 ALA N N 94 130.509 130.509 120.788 9.721 19627 356 1 1 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.068 0.137 19627 357 1 1 . 1 1 94 94 ALA CA C 94 52.062 52.062 53.971 -1.909 19627 358 1 1 . 1 1 94 94 ALA CB C 94 19.010 19.010 16.963 2.047 19627 359 1 1 . 1 1 95 95 SER N N 95 114.601 114.601 115.625 -1.024 19627 360 1 1 . 1 1 95 95 SER HA H 95 4.545 4.545 4.767 -0.222 19627 361 1 1 . 1 1 95 95 SER CA C 95 54.544 54.544 54.847 -0.303 19627 362 1 1 . 1 1 95 95 SER CB C 95 63.081 63.081 63.801 -0.720 19627 363 1 1 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.434 -0.130 19627 364 1 1 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.032 0.557 19627 365 1 1 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.989 0.269 19627 366 1 1 . 1 1 97 97 LYS N N 97 118.117 118.117 118.543 -0.426 19627 367 1 1 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.209 -0.061 19627 368 1 1 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.391 -0.944 19627 369 1 1 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.852 0.139 19627 370 1 1 . 1 1 98 98 ASP N N 98 119.820 119.820 117.641 2.179 19627 371 1 1 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.574 -0.249 19627 372 1 1 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.796 -0.198 19627 373 1 1 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.550 -0.768 19627 374 1 1 . 1 1 99 99 GLY N N 99 107.593 107.593 105.905 1.688 19627 375 1 1 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.832 0.804 19627 376 1 1 . 1 1 100 100 ASN N N 100 119.859 119.859 119.209 0.650 19627 377 1 1 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.727 -0.007 19627 378 1 1 . 1 1 100 100 ASN C C 100 175.832 175.832 174.541 1.291 19627 379 1 1 . 1 1 100 100 ASN CA C 100 53.853 53.853 53.672 0.181 19627 380 1 1 . 1 1 100 100 ASN CB C 100 38.772 38.772 39.502 -0.730 19627 381 1 1 . 1 1 101 101 SER N N 101 117.380 117.380 115.555 1.825 19627 382 1 1 . 1 1 101 101 SER HA H 101 4.533 4.533 4.629 -0.096 19627 383 1 1 . 1 1 101 101 SER C C 101 175.075 175.075 172.666 2.409 19627 384 1 1 . 1 1 101 101 SER CA C 101 57.658 57.658 57.772 -0.113 19627 385 1 1 . 1 1 101 101 SER CB C 101 64.927 64.927 65.525 -0.598 19627 386 1 1 . 1 1 102 102 ASP N N 102 123.193 123.193 127.445 -4.252 19627 387 1 1 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.260 -0.654 19627 388 1 1 . 1 1 102 102 ASP C C 102 177.297 177.297 175.977 1.320 19627 389 1 1 . 1 1 102 102 ASP CA C 102 55.558 55.558 52.843 2.715 19627 390 1 1 . 1 1 102 102 ASP CB C 102 40.668 40.668 40.994 -0.326 19627 391 1 1 . 1 1 103 103 LYS N N 103 117.188 117.188 123.110 -5.922 19627 392 1 1 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.969 0.428 19627 393 1 1 . 1 1 103 103 LYS CA C 103 55.561 55.561 54.574 0.987 19627 394 1 1 . 1 1 103 103 LYS CB C 103 39.951 39.951 34.535 5.416 19627 395 1 1 . 1 1 104 104 ARG N N 104 122.088 122.088 117.755 4.333 19627 396 1 1 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.645 0.163 19627 397 1 1 . 1 1 104 104 ARG C C 104 174.517 174.517 175.526 -1.009 19627 398 1 1 . 1 1 104 104 ARG CA C 104 55.684 55.684 55.058 0.626 19627 399 1 1 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.134 2.815 19627 400 1 1 . 1 1 105 105 LEU N N 105 126.226 126.226 125.864 0.362 19627 401 1 1 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.508 0.981 19627 402 1 1 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.864 -0.722 19627 403 1 1 . 1 1 105 105 LEU CB C 105 45.852 45.852 41.683 4.169 19627 404 1 1 . 1 1 106 106 GLU N N 106 120.408 120.408 125.123 -4.715 19627 405 1 1 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.715 0.630 19627 406 1 1 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.290 -1.042 19627 407 1 1 . 1 1 106 106 GLU CB C 106 34.552 34.552 30.618 3.934 19627 408 1 1 . 1 1 107 107 LYS N N 107 127.864 127.864 116.881 10.983 19627 409 1 1 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.449 0.025 19627 410 1 1 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.445 -0.541 19627 411 1 1 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.001 0.372 19627 412 1 1 . 1 1 108 108 TYR N N 108 127.870 127.870 121.506 6.364 19627 413 1 1 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.660 -0.219 19627 414 1 1 . 1 1 108 108 TYR CA C 108 57.519 57.519 57.288 0.231 19627 415 1 1 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.788 1.335 19627 416 1 1 . 1 1 109 109 ASN N N 109 123.534 123.534 128.145 -4.611 19627 417 1 1 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.546 0.030 19627 418 1 1 . 1 1 109 109 ASN CA C 109 53.020 53.020 52.960 0.060 19627 419 1 1 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.922 2.674 19627 420 1 2 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.468 0.052 19627 421 1 2 . 1 1 2 2 ASP CA C 2 55.206 55.206 55.512 -0.306 19627 422 1 2 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.259 -0.034 19627 423 1 2 . 1 1 3 3 GLU N N 3 119.869 119.869 117.223 2.646 19627 424 1 2 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.225 -0.026 19627 425 1 2 . 1 1 3 3 GLU CA C 3 57.029 57.029 57.157 -0.128 19627 426 1 2 . 1 1 3 3 GLU CB C 3 29.820 29.820 28.692 1.128 19627 427 1 2 . 1 1 4 4 ASP N N 4 119.650 119.650 118.679 0.971 19627 428 1 2 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.872 -0.432 19627 429 1 2 . 1 1 4 4 ASP CA C 4 55.118 55.118 53.916 1.202 19627 430 1 2 . 1 1 4 4 ASP CB C 4 41.245 41.245 42.259 -1.014 19627 431 1 2 . 1 1 5 5 ASP N N 5 119.339 119.339 119.678 -0.339 19627 432 1 2 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.794 -0.164 19627 433 1 2 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.890 -0.129 19627 434 1 2 . 1 1 5 5 ASP CB C 5 40.866 40.866 40.977 -0.112 19627 435 1 2 . 1 1 6 6 LYS N N 6 121.265 121.265 119.297 1.968 19627 436 1 2 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.581 -0.364 19627 437 1 2 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.072 1.036 19627 438 1 2 . 1 1 6 6 LYS CB C 6 33.916 33.916 36.553 -2.637 19627 439 1 2 . 1 1 7 7 VAL N N 7 122.743 122.743 124.451 -1.708 19627 440 1 2 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.060 -0.009 19627 441 1 2 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.676 -0.172 19627 442 1 2 . 1 1 7 7 VAL CB C 7 33.738 33.738 31.530 2.208 19627 443 1 2 . 1 1 8 8 GLU N N 8 129.254 129.254 126.325 2.929 19627 444 1 2 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.361 0.243 19627 445 1 2 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.979 -1.896 19627 446 1 2 . 1 1 8 8 GLU CB C 8 30.047 30.047 30.889 -0.842 19627 447 1 2 . 1 1 9 9 ILE N N 9 123.662 123.662 122.265 1.397 19627 448 1 2 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.238 -0.419 19627 449 1 2 . 1 1 9 9 ILE CA C 9 63.426 63.426 63.160 0.266 19627 450 1 2 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.426 -0.586 19627 451 1 2 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.406 -0.068 19627 452 1 2 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.222 1.563 19627 453 1 2 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.481 0.378 19627 454 1 2 . 1 1 11 11 GLN N N 11 112.602 112.602 116.986 -4.384 19627 455 1 2 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.288 -0.066 19627 456 1 2 . 1 1 11 11 GLN C C 11 176.461 176.461 178.383 -1.922 19627 457 1 2 . 1 1 11 11 GLN CA C 11 55.805 55.805 56.944 -1.139 19627 458 1 2 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.353 -0.492 19627 459 1 2 . 1 1 12 12 LEU N N 12 119.555 119.555 122.551 -2.996 19627 460 1 2 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.189 -0.281 19627 461 1 2 . 1 1 12 12 LEU CA C 12 58.115 58.115 58.057 0.058 19627 462 1 2 . 1 1 12 12 LEU CB C 12 43.303 43.303 42.047 1.256 19627 463 1 2 . 1 1 13 13 VAL N N 13 112.720 112.720 114.863 -2.143 19627 464 1 2 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.105 -0.353 19627 465 1 2 . 1 1 13 13 VAL CA C 13 64.717 64.717 63.307 1.410 19627 466 1 2 . 1 1 13 13 VAL CB C 13 32.029 32.029 31.023 1.006 19627 467 1 2 . 1 1 14 14 GLY N N 14 116.042 116.042 108.214 7.828 19627 468 1 2 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.462 -0.711 19627 469 1 2 . 1 1 15 15 LYS N N 15 120.788 120.788 118.050 2.738 19627 470 1 2 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.604 0.581 19627 471 1 2 . 1 1 15 15 LYS CA C 15 55.797 55.797 55.176 0.621 19627 472 1 2 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.173 0.986 19627 473 1 2 . 1 1 16 16 TRP N N 16 123.983 123.983 119.448 4.535 19627 474 1 2 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.946 -0.031 19627 475 1 2 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.774 -0.974 19627 476 1 2 . 1 1 16 16 TRP CB C 16 34.179 34.179 33.552 0.627 19627 477 1 2 . 1 1 17 17 ILE N N 17 122.229 122.229 121.589 0.640 19627 478 1 2 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.581 0.311 19627 479 1 2 . 1 1 17 17 ILE CA C 17 58.782 58.782 59.593 -0.811 19627 480 1 2 . 1 1 17 17 ILE CB C 17 40.584 40.584 41.321 -0.737 19627 481 1 2 . 1 1 18 18 VAL N N 18 126.326 126.326 124.751 1.575 19627 482 1 2 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.371 -0.530 19627 483 1 2 . 1 1 18 18 VAL CA C 18 64.643 64.643 62.318 2.325 19627 484 1 2 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.558 0.010 19627 485 1 2 . 1 1 19 19 LYS N N 19 129.061 129.061 121.858 7.203 19627 486 1 2 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.347 0.109 19627 487 1 2 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.175 -1.651 19627 488 1 2 . 1 1 19 19 LYS CB C 19 33.173 33.173 31.362 1.811 19627 489 1 2 . 1 1 20 20 GLU N N 20 118.305 118.305 119.438 -1.133 19627 490 1 2 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.589 -0.199 19627 491 1 2 . 1 1 20 20 GLU CA C 20 54.118 54.118 54.216 -0.098 19627 492 1 2 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.865 1.648 19627 493 1 2 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.388 0.219 19627 494 1 2 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.628 0.002 19627 495 1 2 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.534 2.256 19627 496 1 2 . 1 1 22 22 VAL N N 22 119.998 119.998 118.980 1.018 19627 497 1 2 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.934 0.083 19627 498 1 2 . 1 1 22 22 VAL CA C 22 62.374 62.374 62.695 -0.321 19627 499 1 2 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.129 0.808 19627 500 1 2 . 1 1 23 23 LEU N N 23 128.343 128.343 126.495 1.848 19627 501 1 2 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.460 -0.013 19627 502 1 2 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.377 -0.187 19627 503 1 2 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.556 0.272 19627 504 1 2 . 1 1 24 24 GLN N N 24 117.971 117.971 119.989 -2.018 19627 505 1 2 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.155 0.105 19627 506 1 2 . 1 1 24 24 GLN CA C 24 55.598 55.598 56.374 -0.776 19627 507 1 2 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.151 0.953 19627 508 1 2 . 1 1 25 25 ASP N N 25 117.501 117.501 118.409 -0.908 19627 509 1 2 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.212 -0.006 19627 510 1 2 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.220 0.549 19627 511 1 2 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.126 -0.164 19627 512 1 2 . 1 1 26 26 ASP N N 26 112.782 112.782 113.752 -0.970 19627 513 1 2 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.287 0.048 19627 514 1 2 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.673 -0.514 19627 515 1 2 . 1 1 26 26 ASP CB C 26 39.737 39.737 39.708 0.029 19627 516 1 2 . 1 1 27 27 PHE N N 27 118.623 118.623 118.303 0.320 19627 517 1 2 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.301 0.126 19627 518 1 2 . 1 1 27 27 PHE CA C 27 58.011 58.011 57.496 0.515 19627 519 1 2 . 1 1 27 27 PHE CB C 27 40.533 40.533 39.438 1.095 19627 520 1 2 . 1 1 28 28 VAL N N 28 119.117 119.117 120.567 -1.450 19627 521 1 2 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.311 0.189 19627 522 1 2 . 1 1 28 28 VAL CA C 28 60.900 60.900 61.010 -0.110 19627 523 1 2 . 1 1 28 28 VAL CB C 28 36.175 36.175 35.262 0.913 19627 524 1 2 . 1 1 29 29 THR N N 29 124.304 124.304 120.904 3.400 19627 525 1 2 . 1 1 29 29 THR HA H 29 5.212 5.212 4.999 0.213 19627 526 1 2 . 1 1 29 29 THR CA C 29 62.051 62.051 61.093 0.958 19627 527 1 2 . 1 1 29 29 THR CB C 29 70.541 70.541 71.523 -0.982 19627 528 1 2 . 1 1 30 30 CYS N N 30 123.969 123.969 121.020 2.949 19627 529 1 2 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.545 0.036 19627 530 1 2 . 1 1 30 30 CYS CA C 30 56.066 56.066 55.784 0.282 19627 531 1 2 . 1 1 30 30 CYS CB C 30 31.010 31.010 31.904 -0.893 19627 532 1 2 . 1 1 31 31 TYR N N 31 125.131 125.131 117.171 7.960 19627 533 1 2 . 1 1 31 31 TYR HA H 31 5.165 5.165 5.227 -0.062 19627 534 1 2 . 1 1 31 31 TYR CA C 31 57.270 57.270 56.694 0.576 19627 535 1 2 . 1 1 31 31 TYR CB C 31 43.631 43.631 42.968 0.663 19627 536 1 2 . 1 1 32 32 THR N N 32 118.682 118.682 118.746 -0.064 19627 537 1 2 . 1 1 32 32 THR HA H 32 5.122 5.122 4.840 0.282 19627 538 1 2 . 1 1 32 32 THR CA C 32 61.828 61.828 61.567 0.261 19627 539 1 2 . 1 1 32 32 THR CB C 32 70.848 70.848 69.582 1.266 19627 540 1 2 . 1 1 33 33 PHE N N 33 123.161 123.161 126.004 -2.843 19627 541 1 2 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.529 0.315 19627 542 1 2 . 1 1 33 33 PHE CA C 33 57.983 57.983 58.850 -0.867 19627 543 1 2 . 1 1 33 33 PHE CB C 33 40.905 40.905 39.452 1.453 19627 544 1 2 . 1 1 34 34 ASN N N 34 119.699 119.699 120.368 -0.669 19627 545 1 2 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.947 0.408 19627 546 1 2 . 1 1 34 34 ASN CA C 34 52.483 52.483 52.023 0.460 19627 547 1 2 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.357 0.086 19627 548 1 2 . 1 1 35 35 ALA N N 35 128.044 128.044 122.643 5.401 19627 549 1 2 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.240 -0.073 19627 550 1 2 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.483 0.331 19627 551 1 2 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.024 -0.619 19627 552 1 2 . 1 1 36 36 ASP N N 36 116.944 116.944 114.355 2.589 19627 553 1 2 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.865 -0.428 19627 554 1 2 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.506 -1.111 19627 555 1 2 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.029 -1.517 19627 556 1 2 . 1 1 37 37 LYS N N 37 108.202 108.202 119.923 -11.721 19627 557 1 2 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.699 -1.435 19627 558 1 2 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.826 1.248 19627 559 1 2 . 1 1 37 37 LYS CB C 37 27.597 27.597 34.367 -6.770 19627 560 1 2 . 1 1 38 38 THR N N 38 107.877 107.877 111.159 -3.282 19627 561 1 2 . 1 1 38 38 THR HA H 38 5.403 5.403 4.805 0.598 19627 562 1 2 . 1 1 38 38 THR CA C 38 61.011 61.011 61.209 -0.198 19627 563 1 2 . 1 1 38 38 THR CB C 38 72.829 72.829 69.887 2.942 19627 564 1 2 . 1 1 39 39 TYR N N 39 117.837 117.837 118.403 -0.566 19627 565 1 2 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.112 0.602 19627 566 1 2 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.741 0.001 19627 567 1 2 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.644 1.935 19627 568 1 2 . 1 1 40 40 GLU N N 40 118.677 118.677 120.018 -1.341 19627 569 1 2 . 1 1 40 40 GLU HA H 40 5.253 5.253 4.910 0.343 19627 570 1 2 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.551 -0.492 19627 571 1 2 . 1 1 40 40 GLU CB C 40 34.955 34.955 33.658 1.296 19627 572 1 2 . 1 1 41 41 VAL N N 41 121.838 121.838 121.585 0.253 19627 573 1 2 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.944 0.215 19627 574 1 2 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.632 -0.092 19627 575 1 2 . 1 1 41 41 VAL CB C 41 35.324 35.324 36.250 -0.926 19627 576 1 2 . 1 1 42 42 TYR N N 42 126.740 126.740 122.089 4.651 19627 577 1 2 . 1 1 42 42 TYR HA H 42 4.815 4.815 5.044 -0.229 19627 578 1 2 . 1 1 42 42 TYR CA C 42 56.841 56.841 55.431 1.410 19627 579 1 2 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.314 1.979 19627 580 1 2 . 1 1 43 43 THR N N 43 122.111 122.111 117.066 5.045 19627 581 1 2 . 1 1 43 43 THR HA H 43 5.126 5.126 4.665 0.461 19627 582 1 2 . 1 1 43 43 THR CA C 43 60.915 60.915 61.345 -0.430 19627 583 1 2 . 1 1 43 43 THR CB C 43 70.667 70.667 70.793 -0.126 19627 584 1 2 . 1 1 44 44 GLY N N 44 112.123 112.123 115.916 -3.793 19627 585 1 2 . 1 1 44 44 GLY CA C 44 45.038 45.038 44.441 0.596 19627 586 1 2 . 1 1 45 45 SER N N 45 118.181 118.181 119.953 -1.772 19627 587 1 2 . 1 1 45 45 SER HA H 45 4.736 4.736 4.540 0.196 19627 588 1 2 . 1 1 45 45 SER CA C 45 55.721 55.721 57.855 -2.135 19627 589 1 2 . 1 1 45 45 SER CB C 45 64.234 64.234 65.443 -1.209 19627 590 1 2 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.359 -0.081 19627 591 1 2 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.155 0.748 19627 592 1 2 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.217 -0.117 19627 593 1 2 . 1 1 47 47 LEU N N 47 115.053 115.053 118.496 -3.443 19627 594 1 2 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.223 0.053 19627 595 1 2 . 1 1 47 47 LEU CA C 47 54.820 54.820 56.434 -1.614 19627 596 1 2 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.244 0.253 19627 597 1 2 . 1 1 48 48 SER N N 48 114.930 114.930 109.754 5.176 19627 598 1 2 . 1 1 48 48 SER HA H 48 4.418 4.418 4.549 -0.131 19627 599 1 2 . 1 1 48 48 SER CA C 48 57.896 57.896 57.456 0.440 19627 600 1 2 . 1 1 48 48 SER CB C 48 64.328 64.328 64.522 -0.194 19627 601 1 2 . 1 1 49 49 ASN N N 49 121.801 121.801 120.863 0.938 19627 602 1 2 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.854 -0.171 19627 603 1 2 . 1 1 49 49 ASN CA C 49 53.247 53.247 52.763 0.484 19627 604 1 2 . 1 1 49 49 ASN CB C 49 39.147 39.147 36.135 3.012 19627 605 1 2 . 1 1 50 50 GLY N N 50 108.685 108.685 110.464 -1.779 19627 606 1 2 . 1 1 50 50 GLY CA C 50 45.049 45.049 46.560 -1.511 19627 607 1 2 . 1 1 51 51 VAL N N 51 121.162 121.162 121.053 0.109 19627 608 1 2 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.411 -0.017 19627 609 1 2 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.904 -0.246 19627 610 1 2 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.138 1.346 19627 611 1 2 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.576 0.085 19627 612 1 2 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.065 0.828 19627 613 1 2 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.646 0.250 19627 614 1 2 . 1 1 53 53 PHE N N 53 123.537 123.537 121.073 2.464 19627 615 1 2 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.478 0.100 19627 616 1 2 . 1 1 53 53 PHE CA C 53 57.762 57.762 57.786 -0.024 19627 617 1 2 . 1 1 53 53 PHE CB C 53 40.652 40.652 41.343 -0.691 19627 618 1 2 . 1 1 54 54 ARG N N 54 124.570 124.570 120.475 4.095 19627 619 1 2 . 1 1 54 54 ARG HA H 54 4.894 4.894 5.146 -0.252 19627 620 1 2 . 1 1 54 54 ARG CA C 54 54.601 54.601 53.595 1.006 19627 621 1 2 . 1 1 54 54 ARG CB C 54 33.401 33.401 33.753 -0.352 19627 622 1 2 . 1 1 55 55 GLY N N 55 107.998 107.998 108.418 -0.420 19627 623 1 2 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.630 -0.088 19627 624 1 2 . 1 1 56 56 THR N N 56 114.021 114.021 117.256 -3.235 19627 625 1 2 . 1 1 56 56 THR HA H 56 5.777 5.777 5.113 0.664 19627 626 1 2 . 1 1 56 56 THR CA C 56 60.409 60.409 60.923 -0.514 19627 627 1 2 . 1 1 56 56 THR CB C 56 72.641 72.641 71.701 0.940 19627 628 1 2 . 1 1 57 57 TYR N N 57 115.684 115.684 120.770 -5.086 19627 629 1 2 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.665 0.591 19627 630 1 2 . 1 1 57 57 TYR CA C 57 55.645 55.645 55.250 0.395 19627 631 1 2 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.563 1.789 19627 632 1 2 . 1 1 58 58 ILE N N 58 118.048 118.048 120.497 -2.449 19627 633 1 2 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.139 0.216 19627 634 1 2 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.309 -0.300 19627 635 1 2 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.263 0.662 19627 636 1 2 . 1 1 59 59 ILE N N 59 124.887 124.887 123.960 0.927 19627 637 1 2 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.904 0.100 19627 638 1 2 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.608 -1.333 19627 639 1 2 . 1 1 59 59 ILE CB C 59 40.709 40.709 41.962 -1.253 19627 640 1 2 . 1 1 60 60 SER N N 60 122.768 122.768 122.244 0.524 19627 641 1 2 . 1 1 60 60 SER HA H 60 4.835 4.835 4.571 0.264 19627 642 1 2 . 1 1 60 60 SER CA C 60 55.735 55.735 58.371 -2.636 19627 643 1 2 . 1 1 60 60 SER CB C 60 63.250 63.250 64.008 -0.758 19627 644 1 2 . 1 1 61 61 LEU N N 61 129.303 129.303 120.128 9.175 19627 645 1 2 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.457 -0.611 19627 646 1 2 . 1 1 61 61 LEU CA C 61 58.659 58.659 55.144 3.515 19627 647 1 2 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.094 -0.132 19627 648 1 2 . 1 1 62 62 ASP N N 62 118.454 118.454 120.128 -1.674 19627 649 1 2 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.538 -0.235 19627 650 1 2 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.114 1.000 19627 651 1 2 . 1 1 62 62 ASP CB C 62 40.178 40.178 41.356 -1.178 19627 652 1 2 . 1 1 63 63 GLU N N 63 115.083 115.083 118.196 -3.113 19627 653 1 2 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.387 -0.156 19627 654 1 2 . 1 1 63 63 GLU CA C 63 55.915 55.915 56.313 -0.398 19627 655 1 2 . 1 1 63 63 GLU CB C 63 31.398 31.398 30.764 0.635 19627 656 1 2 . 1 1 64 64 LYS N N 64 117.578 117.578 120.363 -2.785 19627 657 1 2 . 1 1 65 65 LEU N N 65 119.527 119.527 123.554 -4.027 19627 658 1 2 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.632 0.518 19627 659 1 2 . 1 1 65 65 LEU CA C 65 53.355 53.355 54.281 -0.925 19627 660 1 2 . 1 1 65 65 LEU CB C 65 47.627 47.627 45.533 2.094 19627 661 1 2 . 1 1 66 66 ILE N N 66 123.527 123.527 127.600 -4.073 19627 662 1 2 . 1 1 66 66 ILE HA H 66 5.003 5.003 4.872 0.131 19627 663 1 2 . 1 1 66 66 ILE CA C 66 58.348 58.348 59.731 -1.383 19627 664 1 2 . 1 1 66 66 ILE CB C 66 42.093 42.093 40.147 1.946 19627 665 1 2 . 1 1 67 67 LYS N N 67 125.168 125.168 127.070 -1.902 19627 666 1 2 . 1 1 67 67 LYS HA H 67 4.407 4.407 5.071 -0.664 19627 667 1 2 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.317 0.965 19627 668 1 2 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.637 -0.389 19627 669 1 2 . 1 1 68 68 LEU N N 68 123.218 123.218 120.345 2.873 19627 670 1 2 . 1 1 68 68 LEU HA H 68 4.798 4.798 5.182 -0.384 19627 671 1 2 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.052 1.778 19627 672 1 2 . 1 1 68 68 LEU CB C 68 40.826 40.826 43.784 -2.958 19627 673 1 2 . 1 1 69 69 TYR N N 69 119.751 119.751 120.430 -0.679 19627 674 1 2 . 1 1 69 69 TYR HA H 69 5.424 5.424 4.836 0.588 19627 675 1 2 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.615 -0.450 19627 676 1 2 . 1 1 69 69 TYR CB C 69 42.319 42.319 42.670 -0.352 19627 677 1 2 . 1 1 70 70 ASP N N 70 120.335 120.335 123.886 -3.551 19627 678 1 2 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.428 -0.386 19627 679 1 2 . 1 1 70 70 ASP CA C 70 52.428 52.428 53.423 -0.995 19627 680 1 2 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.932 -0.722 19627 681 1 2 . 1 1 71 71 LYS N N 71 117.975 117.975 118.747 -0.772 19627 682 1 2 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.097 0.108 19627 683 1 2 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.985 -0.796 19627 684 1 2 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.744 0.480 19627 685 1 2 . 1 1 72 72 GLU N N 72 119.779 119.779 118.178 1.601 19627 686 1 2 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.345 -0.069 19627 687 1 2 . 1 1 72 72 GLU CA C 72 55.823 55.823 55.311 0.512 19627 688 1 2 . 1 1 72 72 GLU CB C 72 29.639 29.639 28.981 0.658 19627 689 1 2 . 1 1 73 73 GLU N N 73 112.572 112.572 115.506 -2.934 19627 690 1 2 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.325 -0.719 19627 691 1 2 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.966 0.125 19627 692 1 2 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.471 -0.571 19627 693 1 2 . 1 1 74 74 HIS N N 74 118.561 118.561 114.986 3.575 19627 694 1 2 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.670 0.202 19627 695 1 2 . 1 1 74 74 HIS CA C 74 54.491 54.491 53.988 0.503 19627 696 1 2 . 1 1 74 74 HIS CB C 74 28.650 28.650 27.455 1.195 19627 697 1 2 . 1 1 75 75 CYS N N 75 126.459 126.459 116.521 9.938 19627 698 1 2 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.136 0.914 19627 699 1 2 . 1 1 75 75 CYS CA C 75 58.539 58.539 59.508 -0.969 19627 700 1 2 . 1 1 75 75 CYS CB C 75 26.305 26.305 27.772 -1.467 19627 701 1 2 . 1 1 76 76 THR N N 76 123.868 123.868 113.810 10.058 19627 702 1 2 . 1 1 76 76 THR HA H 76 4.115 4.115 4.310 -0.195 19627 703 1 2 . 1 1 76 76 THR CA C 76 62.701 62.701 62.441 0.260 19627 704 1 2 . 1 1 76 76 THR CB C 76 68.451 68.451 69.570 -1.119 19627 705 1 2 . 1 1 77 77 GLU N N 77 120.185 120.185 121.090 -0.905 19627 706 1 2 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.561 -0.386 19627 707 1 2 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.438 -0.741 19627 708 1 2 . 1 1 77 77 GLU CB C 77 34.100 34.100 34.381 -0.281 19627 709 1 2 . 1 1 78 78 GLN N N 78 118.401 118.401 120.125 -1.724 19627 710 1 2 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.981 -0.284 19627 711 1 2 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.841 -0.908 19627 712 1 2 . 1 1 78 78 GLN CB C 78 31.842 31.842 29.814 2.028 19627 713 1 2 . 1 1 79 79 TYR N N 79 116.069 116.069 121.901 -5.832 19627 714 1 2 . 1 1 79 79 TYR HA H 79 4.850 4.850 5.021 -0.171 19627 715 1 2 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.453 -0.454 19627 716 1 2 . 1 1 79 79 TYR CB C 79 41.813 41.813 40.931 0.882 19627 717 1 2 . 1 1 80 80 HIS N N 80 119.747 119.747 120.124 -0.377 19627 718 1 2 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.607 0.566 19627 719 1 2 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.400 -0.279 19627 720 1 2 . 1 1 80 80 HIS CB C 80 29.720 29.720 30.744 -1.024 19627 721 1 2 . 1 1 81 81 ILE N N 81 126.268 126.268 128.291 -2.023 19627 722 1 2 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.419 0.801 19627 723 1 2 . 1 1 81 81 ILE CA C 81 61.739 61.739 61.641 0.098 19627 724 1 2 . 1 1 81 81 ILE CB C 81 38.354 38.354 35.655 2.699 19627 725 1 2 . 1 1 82 82 LEU N N 82 127.552 127.552 127.902 -0.350 19627 726 1 2 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.116 -0.022 19627 727 1 2 . 1 1 82 82 LEU CA C 82 55.392 55.392 57.358 -1.966 19627 728 1 2 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.424 0.691 19627 729 1 2 . 1 1 83 83 LYS N N 83 115.809 115.809 113.903 1.906 19627 730 1 2 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.586 -0.386 19627 731 1 2 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.246 0.447 19627 732 1 2 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.868 0.054 19627 733 1 2 . 1 1 84 84 LEU N N 84 129.953 129.953 120.530 9.423 19627 734 1 2 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.315 -0.481 19627 735 1 2 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.754 -0.140 19627 736 1 2 . 1 1 84 84 LEU CB C 84 43.767 43.767 46.109 -2.342 19627 737 1 2 . 1 1 85 85 THR N N 85 119.648 119.648 113.213 6.435 19627 738 1 2 . 1 1 85 85 THR HA H 85 4.897 4.897 5.078 -0.181 19627 739 1 2 . 1 1 85 85 THR CA C 85 58.717 58.717 60.002 -1.285 19627 740 1 2 . 1 1 85 85 THR CB C 85 72.356 72.356 71.742 0.614 19627 741 1 2 . 1 1 86 86 SER N N 86 108.790 108.790 115.476 -6.686 19627 742 1 2 . 1 1 86 86 SER HA H 86 4.165 4.165 4.148 0.017 19627 743 1 2 . 1 1 86 86 SER CA C 86 60.370 60.370 61.462 -1.092 19627 744 1 2 . 1 1 86 86 SER CB C 86 63.258 63.258 63.406 -0.148 19627 745 1 2 . 1 1 87 87 LYS N N 87 116.161 116.161 115.680 0.481 19627 746 1 2 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.377 0.137 19627 747 1 2 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.000 0.479 19627 748 1 2 . 1 1 87 87 LYS CB C 87 36.364 36.364 35.072 1.292 19627 749 1 2 . 1 1 88 88 GLU N N 88 119.485 119.485 120.645 -1.160 19627 750 1 2 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.732 0.731 19627 751 1 2 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.948 -0.353 19627 752 1 2 . 1 1 88 88 GLU CB C 88 35.601 35.601 32.847 2.754 19627 753 1 2 . 1 1 89 89 MET N N 89 122.595 122.595 123.529 -0.934 19627 754 1 2 . 1 1 89 89 MET HA H 89 4.940 4.940 4.850 0.090 19627 755 1 2 . 1 1 89 89 MET CA C 89 53.785 53.785 54.602 -0.817 19627 756 1 2 . 1 1 89 89 MET CB C 89 36.210 36.210 36.019 0.191 19627 757 1 2 . 1 1 90 90 LYS N N 90 124.449 124.449 127.421 -2.972 19627 758 1 2 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.798 -0.003 19627 759 1 2 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.358 -0.005 19627 760 1 2 . 1 1 90 90 LYS CB C 90 36.763 36.763 32.845 3.918 19627 761 1 2 . 1 1 91 91 TRP N N 91 125.457 125.457 125.380 0.077 19627 762 1 2 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.945 0.569 19627 763 1 2 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.952 -3.442 19627 764 1 2 . 1 1 91 91 TRP CB C 91 34.752 34.752 29.844 4.908 19627 765 1 2 . 1 1 92 92 GLU N N 92 123.111 123.111 125.233 -2.122 19627 766 1 2 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.352 0.523 19627 767 1 2 . 1 1 92 92 GLU C C 92 176.109 176.109 177.158 -1.049 19627 768 1 2 . 1 1 92 92 GLU CA C 92 53.610 53.610 55.909 -2.299 19627 769 1 2 . 1 1 92 92 GLU CB C 92 33.384 33.384 32.239 1.145 19627 770 1 2 . 1 1 93 93 ASN N N 93 126.757 126.757 121.093 5.664 19627 771 1 2 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.516 -0.113 19627 772 1 2 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.967 -1.975 19627 773 1 2 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.359 -0.756 19627 774 1 2 . 1 1 94 94 ALA N N 94 130.509 130.509 118.582 11.927 19627 775 1 2 . 1 1 94 94 ALA HA H 94 4.205 4.205 3.900 0.305 19627 776 1 2 . 1 1 94 94 ALA CA C 94 52.062 52.062 53.866 -1.804 19627 777 1 2 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.603 1.407 19627 778 1 2 . 1 1 95 95 SER N N 95 114.601 114.601 114.727 -0.126 19627 779 1 2 . 1 1 95 95 SER HA H 95 4.545 4.545 4.946 -0.401 19627 780 1 2 . 1 1 95 95 SER CA C 95 54.544 54.544 54.313 0.230 19627 781 1 2 . 1 1 95 95 SER CB C 95 63.081 63.081 63.580 -0.499 19627 782 1 2 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.425 -0.121 19627 783 1 2 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.232 0.357 19627 784 1 2 . 1 1 96 96 PRO CB C 96 32.258 32.258 32.044 0.214 19627 785 1 2 . 1 1 97 97 LYS N N 97 118.117 118.117 118.451 -0.334 19627 786 1 2 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.075 0.073 19627 787 1 2 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.511 -1.063 19627 788 1 2 . 1 1 97 97 LYS CB C 97 31.991 31.991 32.142 -0.151 19627 789 1 2 . 1 1 98 98 ASP N N 98 119.820 119.820 117.059 2.761 19627 790 1 2 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.464 -0.139 19627 791 1 2 . 1 1 98 98 ASP CA C 98 54.598 54.598 55.293 -0.695 19627 792 1 2 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.746 -0.964 19627 793 1 2 . 1 1 99 99 GLY N N 99 107.593 107.593 106.694 0.899 19627 794 1 2 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.867 0.770 19627 795 1 2 . 1 1 100 100 ASN N N 100 119.859 119.859 118.908 0.951 19627 796 1 2 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.788 -0.068 19627 797 1 2 . 1 1 100 100 ASN C C 100 175.832 175.832 174.790 1.042 19627 798 1 2 . 1 1 100 100 ASN CA C 100 53.853 53.853 52.039 1.814 19627 799 1 2 . 1 1 100 100 ASN CB C 100 38.772 38.772 39.930 -1.158 19627 800 1 2 . 1 1 101 101 SER N N 101 117.380 117.380 114.410 2.970 19627 801 1 2 . 1 1 101 101 SER HA H 101 4.533 4.533 4.742 -0.209 19627 802 1 2 . 1 1 101 101 SER C C 101 175.075 175.075 173.944 1.131 19627 803 1 2 . 1 1 101 101 SER CA C 101 57.658 57.658 57.380 0.278 19627 804 1 2 . 1 1 101 101 SER CB C 101 64.927 64.927 65.814 -0.887 19627 805 1 2 . 1 1 102 102 ASP N N 102 123.193 123.193 124.813 -1.620 19627 806 1 2 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.111 -0.505 19627 807 1 2 . 1 1 102 102 ASP C C 102 177.297 177.297 176.135 1.162 19627 808 1 2 . 1 1 102 102 ASP CA C 102 55.558 55.558 52.485 3.073 19627 809 1 2 . 1 1 102 102 ASP CB C 102 40.668 40.668 39.638 1.030 19627 810 1 2 . 1 1 103 103 LYS N N 103 117.188 117.188 118.879 -1.691 19627 811 1 2 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.483 0.914 19627 812 1 2 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.229 0.332 19627 813 1 2 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.827 6.124 19627 814 1 2 . 1 1 104 104 ARG N N 104 122.088 122.088 119.044 3.044 19627 815 1 2 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.867 -0.059 19627 816 1 2 . 1 1 104 104 ARG C C 104 174.517 174.517 175.307 -0.790 19627 817 1 2 . 1 1 104 104 ARG CA C 104 55.684 55.684 55.173 0.511 19627 818 1 2 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.588 2.361 19627 819 1 2 . 1 1 105 105 LEU N N 105 126.226 126.226 125.825 0.401 19627 820 1 2 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.576 0.913 19627 821 1 2 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.003 0.139 19627 822 1 2 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.417 3.435 19627 823 1 2 . 1 1 106 106 GLU N N 106 120.408 120.408 122.752 -2.344 19627 824 1 2 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.671 0.674 19627 825 1 2 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.467 -1.219 19627 826 1 2 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.201 5.351 19627 827 1 2 . 1 1 107 107 LYS N N 107 127.864 127.864 116.334 11.530 19627 828 1 2 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.488 -0.014 19627 829 1 2 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.105 -0.201 19627 830 1 2 . 1 1 107 107 LYS CB C 107 32.373 32.373 31.978 0.395 19627 831 1 2 . 1 1 108 108 TYR N N 108 127.870 127.870 122.078 5.792 19627 832 1 2 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.537 -0.096 19627 833 1 2 . 1 1 108 108 TYR CA C 108 57.519 57.519 57.889 -0.370 19627 834 1 2 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.874 1.249 19627 835 1 2 . 1 1 109 109 ASN N N 109 123.534 123.534 127.739 -4.205 19627 836 1 2 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.658 -0.082 19627 837 1 2 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.650 -0.630 19627 838 1 2 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.473 3.123 19627 839 1 3 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.597 -0.077 19627 840 1 3 . 1 1 2 2 ASP CA C 2 55.206 55.206 55.547 -0.341 19627 841 1 3 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.815 -0.590 19627 842 1 3 . 1 1 3 3 GLU N N 3 119.869 119.869 119.547 0.322 19627 843 1 3 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.455 -0.256 19627 844 1 3 . 1 1 3 3 GLU CA C 3 57.029 57.029 57.011 0.018 19627 845 1 3 . 1 1 3 3 GLU CB C 3 29.820 29.820 30.605 -0.785 19627 846 1 3 . 1 1 4 4 ASP N N 4 119.650 119.650 123.717 -4.067 19627 847 1 3 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.738 -0.298 19627 848 1 3 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.485 0.633 19627 849 1 3 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.282 -0.037 19627 850 1 3 . 1 1 5 5 ASP N N 5 119.339 119.339 118.774 0.565 19627 851 1 3 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.703 -0.073 19627 852 1 3 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.925 -0.164 19627 853 1 3 . 1 1 5 5 ASP CB C 5 40.866 40.866 41.711 -0.845 19627 854 1 3 . 1 1 6 6 LYS N N 6 121.265 121.265 119.351 1.914 19627 855 1 3 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.472 -0.255 19627 856 1 3 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.309 0.799 19627 857 1 3 . 1 1 6 6 LYS CB C 6 33.916 33.916 34.796 -0.880 19627 858 1 3 . 1 1 7 7 VAL N N 7 122.743 122.743 124.324 -1.581 19627 859 1 3 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.150 -0.099 19627 860 1 3 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.442 0.062 19627 861 1 3 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.451 1.287 19627 862 1 3 . 1 1 8 8 GLU N N 8 129.254 129.254 128.387 0.867 19627 863 1 3 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.643 -0.039 19627 864 1 3 . 1 1 8 8 GLU CA C 8 54.083 54.083 54.778 -0.695 19627 865 1 3 . 1 1 8 8 GLU CB C 8 30.047 30.047 29.508 0.539 19627 866 1 3 . 1 1 9 9 ILE N N 9 123.662 123.662 125.772 -2.110 19627 867 1 3 . 1 1 9 9 ILE HA H 9 3.819 3.819 3.819 -0.000 19627 868 1 3 . 1 1 9 9 ILE CA C 9 63.426 63.426 66.271 -2.845 19627 869 1 3 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.604 -0.764 19627 870 1 3 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.388 -0.050 19627 871 1 3 . 1 1 10 10 PRO CA C 10 65.786 65.786 63.839 1.947 19627 872 1 3 . 1 1 10 10 PRO CB C 10 31.859 31.859 30.791 1.068 19627 873 1 3 . 1 1 11 11 GLN N N 11 112.602 112.602 118.430 -5.828 19627 874 1 3 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.267 -0.045 19627 875 1 3 . 1 1 11 11 GLN C C 11 176.461 176.461 177.718 -1.257 19627 876 1 3 . 1 1 11 11 GLN CA C 11 55.805 55.805 56.842 -1.037 19627 877 1 3 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.771 -0.910 19627 878 1 3 . 1 1 12 12 LEU N N 12 119.555 119.555 122.048 -2.493 19627 879 1 3 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.230 -0.322 19627 880 1 3 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.706 0.409 19627 881 1 3 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.945 1.358 19627 882 1 3 . 1 1 13 13 VAL N N 13 112.720 112.720 116.085 -3.365 19627 883 1 3 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.171 -0.419 19627 884 1 3 . 1 1 13 13 VAL CA C 13 64.717 64.717 63.289 1.428 19627 885 1 3 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.922 1.107 19627 886 1 3 . 1 1 14 14 GLY N N 14 116.042 116.042 108.272 7.770 19627 887 1 3 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.504 -0.753 19627 888 1 3 . 1 1 15 15 LYS N N 15 120.788 120.788 120.083 0.705 19627 889 1 3 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.273 0.912 19627 890 1 3 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.812 -1.015 19627 891 1 3 . 1 1 15 15 LYS CB C 15 35.159 35.159 33.239 1.920 19627 892 1 3 . 1 1 16 16 TRP N N 16 123.983 123.983 123.080 0.903 19627 893 1 3 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.977 -0.062 19627 894 1 3 . 1 1 16 16 TRP CA C 16 55.800 55.800 55.967 -0.167 19627 895 1 3 . 1 1 16 16 TRP CB C 16 34.179 34.179 31.543 2.636 19627 896 1 3 . 1 1 17 17 ILE N N 17 122.229 122.229 124.291 -2.062 19627 897 1 3 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.669 0.223 19627 898 1 3 . 1 1 17 17 ILE CA C 17 58.782 58.782 60.040 -1.258 19627 899 1 3 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.655 -0.071 19627 900 1 3 . 1 1 18 18 VAL N N 18 126.326 126.326 127.578 -1.252 19627 901 1 3 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.003 -0.162 19627 902 1 3 . 1 1 18 18 VAL CA C 18 64.643 64.643 63.740 0.903 19627 903 1 3 . 1 1 18 18 VAL CB C 18 31.568 31.568 30.997 0.571 19627 904 1 3 . 1 1 19 19 LYS N N 19 129.061 129.061 117.357 11.704 19627 905 1 3 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.187 0.269 19627 906 1 3 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.557 -2.033 19627 907 1 3 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.412 2.761 19627 908 1 3 . 1 1 20 20 GLU N N 20 118.305 118.305 120.720 -2.415 19627 909 1 3 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.825 -0.435 19627 910 1 3 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.250 0.868 19627 911 1 3 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.991 1.522 19627 912 1 3 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.462 0.145 19627 913 1 3 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.636 -0.007 19627 914 1 3 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.566 2.224 19627 915 1 3 . 1 1 22 22 VAL N N 22 119.998 119.998 119.191 0.807 19627 916 1 3 . 1 1 22 22 VAL HA H 22 4.017 4.017 4.148 -0.131 19627 917 1 3 . 1 1 22 22 VAL CA C 22 62.374 62.374 62.883 -0.509 19627 918 1 3 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.067 0.870 19627 919 1 3 . 1 1 23 23 LEU N N 23 128.343 128.343 125.813 2.530 19627 920 1 3 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.555 -0.108 19627 921 1 3 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.127 0.063 19627 922 1 3 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.762 0.066 19627 923 1 3 . 1 1 24 24 GLN N N 24 117.971 117.971 120.222 -2.251 19627 924 1 3 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.239 0.021 19627 925 1 3 . 1 1 24 24 GLN CA C 24 55.598 55.598 56.566 -0.968 19627 926 1 3 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.107 0.997 19627 927 1 3 . 1 1 25 25 ASP N N 25 117.501 117.501 119.007 -1.506 19627 928 1 3 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.277 -0.071 19627 929 1 3 . 1 1 25 25 ASP CA C 25 55.769 55.769 56.812 -1.044 19627 930 1 3 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.488 -0.526 19627 931 1 3 . 1 1 26 26 ASP N N 26 112.782 112.782 120.681 -7.899 19627 932 1 3 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.616 -0.281 19627 933 1 3 . 1 1 26 26 ASP CA C 26 55.159 55.159 53.808 1.351 19627 934 1 3 . 1 1 26 26 ASP CB C 26 39.737 39.737 41.152 -1.415 19627 935 1 3 . 1 1 27 27 PHE N N 27 118.623 118.623 120.801 -2.178 19627 936 1 3 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.591 -0.164 19627 937 1 3 . 1 1 27 27 PHE CA C 27 58.011 58.011 58.655 -0.644 19627 938 1 3 . 1 1 27 27 PHE CB C 27 40.533 40.533 40.574 -0.041 19627 939 1 3 . 1 1 28 28 VAL N N 28 119.117 119.117 119.283 -0.166 19627 940 1 3 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.477 0.023 19627 941 1 3 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.059 0.841 19627 942 1 3 . 1 1 28 28 VAL CB C 28 36.175 36.175 34.718 1.457 19627 943 1 3 . 1 1 29 29 THR N N 29 124.304 124.304 121.259 3.045 19627 944 1 3 . 1 1 29 29 THR HA H 29 5.212 5.212 5.375 -0.163 19627 945 1 3 . 1 1 29 29 THR CA C 29 62.051 62.051 60.991 1.060 19627 946 1 3 . 1 1 29 29 THR CB C 29 70.541 70.541 70.821 -0.280 19627 947 1 3 . 1 1 30 30 CYS N N 30 123.969 123.969 120.743 3.226 19627 948 1 3 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.583 -0.002 19627 949 1 3 . 1 1 30 30 CYS CA C 30 56.066 56.066 55.502 0.564 19627 950 1 3 . 1 1 30 30 CYS CB C 30 31.010 31.010 31.520 -0.510 19627 951 1 3 . 1 1 31 31 TYR N N 31 125.131 125.131 119.966 5.165 19627 952 1 3 . 1 1 31 31 TYR HA H 31 5.165 5.165 5.238 -0.073 19627 953 1 3 . 1 1 31 31 TYR CA C 31 57.270 57.270 56.681 0.589 19627 954 1 3 . 1 1 31 31 TYR CB C 31 43.631 43.631 41.483 2.148 19627 955 1 3 . 1 1 32 32 THR N N 32 118.682 118.682 120.758 -2.076 19627 956 1 3 . 1 1 32 32 THR HA H 32 5.122 5.122 4.658 0.464 19627 957 1 3 . 1 1 32 32 THR CA C 32 61.828 61.828 61.691 0.137 19627 958 1 3 . 1 1 32 32 THR CB C 32 70.848 70.848 69.551 1.297 19627 959 1 3 . 1 1 33 33 PHE N N 33 123.161 123.161 126.313 -3.152 19627 960 1 3 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.647 0.197 19627 961 1 3 . 1 1 33 33 PHE CA C 33 57.983 57.983 57.473 0.510 19627 962 1 3 . 1 1 33 33 PHE CB C 33 40.905 40.905 38.862 2.043 19627 963 1 3 . 1 1 34 34 ASN N N 34 119.699 119.699 122.366 -2.667 19627 964 1 3 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.905 0.450 19627 965 1 3 . 1 1 34 34 ASN CA C 34 52.483 52.483 52.739 -0.256 19627 966 1 3 . 1 1 34 34 ASN CB C 34 41.443 41.443 40.424 1.019 19627 967 1 3 . 1 1 35 35 ALA N N 35 128.044 128.044 122.661 5.383 19627 968 1 3 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.128 0.039 19627 969 1 3 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.991 -0.177 19627 970 1 3 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.191 -0.786 19627 971 1 3 . 1 1 36 36 ASP N N 36 116.944 116.944 112.383 4.561 19627 972 1 3 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.705 -0.268 19627 973 1 3 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.509 -1.114 19627 974 1 3 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.391 -1.879 19627 975 1 3 . 1 1 37 37 LYS N N 37 108.202 108.202 120.642 -12.440 19627 976 1 3 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.567 -1.303 19627 977 1 3 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.142 1.933 19627 978 1 3 . 1 1 37 37 LYS CB C 37 27.597 27.597 33.810 -6.213 19627 979 1 3 . 1 1 38 38 THR N N 38 107.877 107.877 112.846 -4.969 19627 980 1 3 . 1 1 38 38 THR HA H 38 5.403 5.403 4.787 0.616 19627 981 1 3 . 1 1 38 38 THR CA C 38 61.011 61.011 61.048 -0.037 19627 982 1 3 . 1 1 38 38 THR CB C 38 72.829 72.829 70.177 2.652 19627 983 1 3 . 1 1 39 39 TYR N N 39 117.837 117.837 123.728 -5.891 19627 984 1 3 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.361 0.353 19627 985 1 3 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.384 0.358 19627 986 1 3 . 1 1 39 39 TYR CB C 39 43.579 43.579 40.506 3.073 19627 987 1 3 . 1 1 40 40 GLU N N 40 118.677 118.677 118.591 0.086 19627 988 1 3 . 1 1 40 40 GLU HA H 40 5.253 5.253 4.993 0.260 19627 989 1 3 . 1 1 40 40 GLU CA C 40 54.059 54.059 55.130 -1.071 19627 990 1 3 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.681 0.274 19627 991 1 3 . 1 1 41 41 VAL N N 41 121.838 121.838 122.298 -0.460 19627 992 1 3 . 1 1 41 41 VAL HA H 41 5.159 5.159 5.198 -0.039 19627 993 1 3 . 1 1 41 41 VAL CA C 41 59.540 59.540 60.325 -0.784 19627 994 1 3 . 1 1 41 41 VAL CB C 41 35.324 35.324 34.848 0.476 19627 995 1 3 . 1 1 42 42 TYR N N 42 126.740 126.740 123.231 3.509 19627 996 1 3 . 1 1 42 42 TYR HA H 42 4.815 4.815 5.055 -0.240 19627 997 1 3 . 1 1 42 42 TYR CA C 42 56.841 56.841 55.831 1.010 19627 998 1 3 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.694 1.599 19627 999 1 3 . 1 1 43 43 THR N N 43 122.111 122.111 116.821 5.290 19627 1000 1 3 . 1 1 43 43 THR HA H 43 5.126 5.126 5.054 0.072 19627 1001 1 3 . 1 1 43 43 THR CA C 43 60.915 60.915 61.050 -0.135 19627 1002 1 3 . 1 1 43 43 THR CB C 43 70.667 70.667 71.689 -1.022 19627 1003 1 3 . 1 1 44 44 GLY N N 44 112.123 112.123 112.640 -0.517 19627 1004 1 3 . 1 1 44 44 GLY CA C 44 45.038 45.038 44.651 0.387 19627 1005 1 3 . 1 1 45 45 SER N N 45 118.181 118.181 114.008 4.173 19627 1006 1 3 . 1 1 45 45 SER HA H 45 4.736 4.736 4.276 0.460 19627 1007 1 3 . 1 1 45 45 SER CA C 45 55.721 55.721 57.989 -2.268 19627 1008 1 3 . 1 1 45 45 SER CB C 45 64.234 64.234 63.613 0.621 19627 1009 1 3 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.460 -0.182 19627 1010 1 3 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.241 0.662 19627 1011 1 3 . 1 1 46 46 PRO CB C 46 32.100 32.100 31.914 0.186 19627 1012 1 3 . 1 1 47 47 LEU N N 47 115.053 115.053 119.435 -4.382 19627 1013 1 3 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.597 -0.321 19627 1014 1 3 . 1 1 47 47 LEU CA C 47 54.820 54.820 55.280 -0.460 19627 1015 1 3 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.815 -0.318 19627 1016 1 3 . 1 1 48 48 SER N N 48 114.930 114.930 113.882 1.048 19627 1017 1 3 . 1 1 48 48 SER HA H 48 4.418 4.418 4.547 -0.129 19627 1018 1 3 . 1 1 48 48 SER CA C 48 57.896 57.896 58.185 -0.289 19627 1019 1 3 . 1 1 48 48 SER CB C 48 64.328 64.328 64.559 -0.231 19627 1020 1 3 . 1 1 49 49 ASN N N 49 121.801 121.801 118.769 3.032 19627 1021 1 3 . 1 1 49 49 ASN HA H 49 4.683 4.683 5.059 -0.376 19627 1022 1 3 . 1 1 49 49 ASN CA C 49 53.247 53.247 52.826 0.421 19627 1023 1 3 . 1 1 49 49 ASN CB C 49 39.147 39.147 40.205 -1.058 19627 1024 1 3 . 1 1 50 50 GLY N N 50 108.685 108.685 110.936 -2.251 19627 1025 1 3 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.964 -0.915 19627 1026 1 3 . 1 1 51 51 VAL N N 51 121.162 121.162 122.138 -0.976 19627 1027 1 3 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.520 -0.126 19627 1028 1 3 . 1 1 51 51 VAL CA C 51 59.658 59.658 58.796 0.862 19627 1029 1 3 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.940 0.545 19627 1030 1 3 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.859 -0.198 19627 1031 1 3 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.003 0.890 19627 1032 1 3 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.544 0.352 19627 1033 1 3 . 1 1 53 53 PHE N N 53 123.537 123.537 121.958 1.579 19627 1034 1 3 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.424 0.154 19627 1035 1 3 . 1 1 53 53 PHE CA C 53 57.762 57.762 58.045 -0.283 19627 1036 1 3 . 1 1 53 53 PHE CB C 53 40.652 40.652 40.396 0.256 19627 1037 1 3 . 1 1 54 54 ARG N N 54 124.570 124.570 122.620 1.950 19627 1038 1 3 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.960 -0.066 19627 1039 1 3 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.467 0.134 19627 1040 1 3 . 1 1 54 54 ARG CB C 54 33.401 33.401 31.035 2.366 19627 1041 1 3 . 1 1 55 55 GLY N N 55 107.998 107.998 111.065 -3.067 19627 1042 1 3 . 1 1 55 55 GLY CA C 55 45.542 45.542 44.695 0.847 19627 1043 1 3 . 1 1 56 56 THR N N 56 114.021 114.021 114.795 -0.774 19627 1044 1 3 . 1 1 56 56 THR HA H 56 5.777 5.777 5.003 0.774 19627 1045 1 3 . 1 1 56 56 THR CA C 56 60.409 60.409 60.846 -0.438 19627 1046 1 3 . 1 1 56 56 THR CB C 56 72.641 72.641 70.664 1.977 19627 1047 1 3 . 1 1 57 57 TYR N N 57 115.684 115.684 125.470 -9.786 19627 1048 1 3 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.354 0.902 19627 1049 1 3 . 1 1 57 57 TYR CA C 57 55.645 55.645 56.030 -0.385 19627 1050 1 3 . 1 1 57 57 TYR CB C 57 43.352 43.352 40.120 3.232 19627 1051 1 3 . 1 1 58 58 ILE N N 58 118.048 118.048 121.510 -3.462 19627 1052 1 3 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.294 0.061 19627 1053 1 3 . 1 1 58 58 ILE CA C 58 60.009 60.009 59.797 0.212 19627 1054 1 3 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.451 0.474 19627 1055 1 3 . 1 1 59 59 ILE N N 59 124.887 124.887 121.181 3.706 19627 1056 1 3 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.694 0.310 19627 1057 1 3 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.797 -1.522 19627 1058 1 3 . 1 1 59 59 ILE CB C 59 40.709 40.709 41.317 -0.608 19627 1059 1 3 . 1 1 60 60 SER N N 60 122.768 122.768 115.592 7.176 19627 1060 1 3 . 1 1 60 60 SER HA H 60 4.835 4.835 4.709 0.126 19627 1061 1 3 . 1 1 60 60 SER CA C 60 55.735 55.735 57.521 -1.786 19627 1062 1 3 . 1 1 60 60 SER CB C 60 63.250 63.250 65.294 -2.045 19627 1063 1 3 . 1 1 61 61 LEU N N 61 129.303 129.303 124.436 4.867 19627 1064 1 3 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.235 -0.389 19627 1065 1 3 . 1 1 61 61 LEU CA C 61 58.659 58.659 56.388 2.271 19627 1066 1 3 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.110 -0.148 19627 1067 1 3 . 1 1 62 62 ASP N N 62 118.454 118.454 118.886 -0.432 19627 1068 1 3 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.464 -0.161 19627 1069 1 3 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.037 1.077 19627 1070 1 3 . 1 1 62 62 ASP CB C 62 40.178 40.178 41.394 -1.216 19627 1071 1 3 . 1 1 63 63 GLU N N 63 115.083 115.083 116.226 -1.143 19627 1072 1 3 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.243 -0.012 19627 1073 1 3 . 1 1 63 63 GLU CA C 63 55.915 55.915 56.921 -1.006 19627 1074 1 3 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.718 1.680 19627 1075 1 3 . 1 1 64 64 LYS N N 64 117.578 117.578 120.409 -2.831 19627 1076 1 3 . 1 1 65 65 LEU N N 65 119.527 119.527 113.663 5.864 19627 1077 1 3 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.974 0.176 19627 1078 1 3 . 1 1 65 65 LEU CA C 65 53.355 53.355 52.609 0.746 19627 1079 1 3 . 1 1 65 65 LEU CB C 65 47.627 47.627 43.711 3.916 19627 1080 1 3 . 1 1 66 66 ILE N N 66 123.527 123.527 121.610 1.917 19627 1081 1 3 . 1 1 66 66 ILE HA H 66 5.003 5.003 4.419 0.584 19627 1082 1 3 . 1 1 66 66 ILE CA C 66 58.348 58.348 61.642 -3.294 19627 1083 1 3 . 1 1 66 66 ILE CB C 66 42.093 42.093 38.583 3.510 19627 1084 1 3 . 1 1 67 67 LYS N N 67 125.168 125.168 127.727 -2.559 19627 1085 1 3 . 1 1 67 67 LYS HA H 67 4.407 4.407 5.188 -0.781 19627 1086 1 3 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.133 1.149 19627 1087 1 3 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.892 -0.644 19627 1088 1 3 . 1 1 68 68 LEU N N 68 123.218 123.218 120.706 2.512 19627 1089 1 3 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.450 0.348 19627 1090 1 3 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.037 1.793 19627 1091 1 3 . 1 1 68 68 LEU CB C 68 40.826 40.826 42.705 -1.879 19627 1092 1 3 . 1 1 69 69 TYR N N 69 119.751 119.751 123.056 -3.305 19627 1093 1 3 . 1 1 69 69 TYR HA H 69 5.424 5.424 4.694 0.730 19627 1094 1 3 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.263 -0.097 19627 1095 1 3 . 1 1 69 69 TYR CB C 69 42.319 42.319 41.365 0.954 19627 1096 1 3 . 1 1 70 70 ASP N N 70 120.335 120.335 123.051 -2.716 19627 1097 1 3 . 1 1 70 70 ASP HA H 70 5.042 5.042 4.637 0.405 19627 1098 1 3 . 1 1 70 70 ASP CA C 70 52.428 52.428 52.419 0.009 19627 1099 1 3 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.739 -0.529 19627 1100 1 3 . 1 1 71 71 LYS N N 71 117.975 117.975 117.486 0.489 19627 1101 1 3 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.208 -0.003 19627 1102 1 3 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.451 -0.262 19627 1103 1 3 . 1 1 71 71 LYS CB C 71 32.224 32.224 32.362 -0.139 19627 1104 1 3 . 1 1 72 72 GLU N N 72 119.779 119.779 117.811 1.968 19627 1105 1 3 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.381 -0.105 19627 1106 1 3 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.175 -0.352 19627 1107 1 3 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.969 -0.330 19627 1108 1 3 . 1 1 73 73 GLU N N 73 112.572 112.572 116.737 -4.165 19627 1109 1 3 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.272 -0.666 19627 1110 1 3 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.575 0.516 19627 1111 1 3 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.160 -0.260 19627 1112 1 3 . 1 1 74 74 HIS N N 74 118.561 118.561 113.022 5.539 19627 1113 1 3 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.736 0.136 19627 1114 1 3 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.581 -0.090 19627 1115 1 3 . 1 1 74 74 HIS CB C 74 28.650 28.650 29.680 -1.030 19627 1116 1 3 . 1 1 75 75 CYS N N 75 126.459 126.459 116.445 10.014 19627 1117 1 3 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.578 0.472 19627 1118 1 3 . 1 1 75 75 CYS CA C 75 58.539 58.539 58.551 -0.012 19627 1119 1 3 . 1 1 75 75 CYS CB C 75 26.305 26.305 25.202 1.103 19627 1120 1 3 . 1 1 76 76 THR N N 76 123.868 123.868 113.768 10.100 19627 1121 1 3 . 1 1 76 76 THR HA H 76 4.115 4.115 4.066 0.049 19627 1122 1 3 . 1 1 76 76 THR CA C 76 62.701 62.701 65.064 -2.363 19627 1123 1 3 . 1 1 76 76 THR CB C 76 68.451 68.451 69.465 -1.014 19627 1124 1 3 . 1 1 77 77 GLU N N 77 120.185 120.185 119.838 0.347 19627 1125 1 3 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.538 -0.363 19627 1126 1 3 . 1 1 77 77 GLU CA C 77 54.697 54.697 54.469 0.228 19627 1127 1 3 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.554 0.546 19627 1128 1 3 . 1 1 78 78 GLN N N 78 118.401 118.401 117.063 1.338 19627 1129 1 3 . 1 1 78 78 GLN HA H 78 4.697 4.697 5.037 -0.340 19627 1130 1 3 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.117 -0.184 19627 1131 1 3 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.200 -0.358 19627 1132 1 3 . 1 1 79 79 TYR N N 79 116.069 116.069 119.439 -3.370 19627 1133 1 3 . 1 1 79 79 TYR HA H 79 4.850 4.850 5.077 -0.227 19627 1134 1 3 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.333 -0.334 19627 1135 1 3 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.530 0.283 19627 1136 1 3 . 1 1 80 80 HIS N N 80 119.747 119.747 121.000 -1.253 19627 1137 1 3 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.580 0.593 19627 1138 1 3 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.725 -0.604 19627 1139 1 3 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.616 -1.895 19627 1140 1 3 . 1 1 81 81 ILE N N 81 126.268 126.268 127.314 -1.046 19627 1141 1 3 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.638 0.582 19627 1142 1 3 . 1 1 81 81 ILE CA C 81 61.739 61.739 61.083 0.656 19627 1143 1 3 . 1 1 81 81 ILE CB C 81 38.354 38.354 36.349 2.005 19627 1144 1 3 . 1 1 82 82 LEU N N 82 127.552 127.552 128.319 -0.767 19627 1145 1 3 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.147 -0.053 19627 1146 1 3 . 1 1 82 82 LEU CA C 82 55.392 55.392 57.018 -1.626 19627 1147 1 3 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.246 0.869 19627 1148 1 3 . 1 1 83 83 LYS N N 83 115.809 115.809 114.602 1.207 19627 1149 1 3 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.618 -0.418 19627 1150 1 3 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.642 0.051 19627 1151 1 3 . 1 1 83 83 LYS CB C 83 36.922 36.922 37.026 -0.104 19627 1152 1 3 . 1 1 84 84 LEU N N 84 129.953 129.953 121.243 8.710 19627 1153 1 3 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.133 -0.299 19627 1154 1 3 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.935 -0.321 19627 1155 1 3 . 1 1 84 84 LEU CB C 84 43.767 43.767 46.058 -2.291 19627 1156 1 3 . 1 1 85 85 THR N N 85 119.648 119.648 113.288 6.360 19627 1157 1 3 . 1 1 85 85 THR HA H 85 4.897 4.897 5.039 -0.142 19627 1158 1 3 . 1 1 85 85 THR CA C 85 58.717 58.717 60.445 -1.728 19627 1159 1 3 . 1 1 85 85 THR CB C 85 72.356 72.356 71.865 0.491 19627 1160 1 3 . 1 1 86 86 SER N N 86 108.790 108.790 116.910 -8.120 19627 1161 1 3 . 1 1 86 86 SER HA H 86 4.165 4.165 4.158 0.007 19627 1162 1 3 . 1 1 86 86 SER CA C 86 60.370 60.370 62.621 -2.251 19627 1163 1 3 . 1 1 86 86 SER CB C 86 63.258 63.258 63.718 -0.460 19627 1164 1 3 . 1 1 87 87 LYS N N 87 116.161 116.161 115.207 0.954 19627 1165 1 3 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.418 0.096 19627 1166 1 3 . 1 1 87 87 LYS CA C 87 56.479 56.479 55.758 0.721 19627 1167 1 3 . 1 1 87 87 LYS CB C 87 36.364 36.364 32.206 4.158 19627 1168 1 3 . 1 1 88 88 GLU N N 88 119.485 119.485 121.065 -1.580 19627 1169 1 3 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.711 0.752 19627 1170 1 3 . 1 1 88 88 GLU CA C 88 55.595 55.595 56.863 -1.268 19627 1171 1 3 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.715 1.886 19627 1172 1 3 . 1 1 89 89 MET N N 89 122.595 122.595 126.573 -3.978 19627 1173 1 3 . 1 1 89 89 MET HA H 89 4.940 4.940 4.991 -0.051 19627 1174 1 3 . 1 1 89 89 MET CA C 89 53.785 53.785 54.724 -0.939 19627 1175 1 3 . 1 1 89 89 MET CB C 89 36.210 36.210 36.470 -0.260 19627 1176 1 3 . 1 1 90 90 LYS N N 90 124.449 124.449 128.133 -3.684 19627 1177 1 3 . 1 1 90 90 LYS HA H 90 4.795 4.795 5.050 -0.255 19627 1178 1 3 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.085 0.268 19627 1179 1 3 . 1 1 90 90 LYS CB C 90 36.763 36.763 32.693 4.070 19627 1180 1 3 . 1 1 91 91 TRP N N 91 125.457 125.457 125.785 -0.328 19627 1181 1 3 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.897 0.617 19627 1182 1 3 . 1 1 91 91 TRP CA C 91 52.510 52.510 56.219 -3.709 19627 1183 1 3 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.137 4.615 19627 1184 1 3 . 1 1 92 92 GLU N N 92 123.111 123.111 126.984 -3.873 19627 1185 1 3 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.367 0.508 19627 1186 1 3 . 1 1 92 92 GLU C C 92 176.109 176.109 177.012 -0.903 19627 1187 1 3 . 1 1 92 92 GLU CA C 92 53.610 53.610 55.692 -2.082 19627 1188 1 3 . 1 1 92 92 GLU CB C 92 33.384 33.384 32.541 0.843 19627 1189 1 3 . 1 1 93 93 ASN N N 93 126.757 126.757 125.296 1.461 19627 1190 1 3 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.481 -0.078 19627 1191 1 3 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.747 -1.755 19627 1192 1 3 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.257 -0.654 19627 1193 1 3 . 1 1 94 94 ALA N N 94 130.509 130.509 120.825 9.684 19627 1194 1 3 . 1 1 94 94 ALA HA H 94 4.205 4.205 3.921 0.284 19627 1195 1 3 . 1 1 94 94 ALA CA C 94 52.062 52.062 53.932 -1.870 19627 1196 1 3 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.330 1.680 19627 1197 1 3 . 1 1 95 95 SER N N 95 114.601 114.601 115.330 -0.729 19627 1198 1 3 . 1 1 95 95 SER HA H 95 4.545 4.545 4.923 -0.378 19627 1199 1 3 . 1 1 95 95 SER CA C 95 54.544 54.544 54.127 0.417 19627 1200 1 3 . 1 1 95 95 SER CB C 95 63.081 63.081 63.516 -0.435 19627 1201 1 3 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.436 -0.132 19627 1202 1 3 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.108 0.481 19627 1203 1 3 . 1 1 96 96 PRO CB C 96 32.258 32.258 32.097 0.161 19627 1204 1 3 . 1 1 97 97 LYS N N 97 118.117 118.117 118.623 -0.506 19627 1205 1 3 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.085 0.063 19627 1206 1 3 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.707 -1.260 19627 1207 1 3 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.778 0.213 19627 1208 1 3 . 1 1 98 98 ASP N N 98 119.820 119.820 116.772 3.048 19627 1209 1 3 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.603 -0.278 19627 1210 1 3 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.675 -0.077 19627 1211 1 3 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.576 -0.794 19627 1212 1 3 . 1 1 99 99 GLY N N 99 107.593 107.593 107.680 -0.087 19627 1213 1 3 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.873 0.763 19627 1214 1 3 . 1 1 100 100 ASN N N 100 119.859 119.859 118.129 1.730 19627 1215 1 3 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.662 0.058 19627 1216 1 3 . 1 1 100 100 ASN C C 100 175.832 175.832 174.744 1.088 19627 1217 1 3 . 1 1 100 100 ASN CA C 100 53.853 53.853 54.428 -0.575 19627 1218 1 3 . 1 1 100 100 ASN CB C 100 38.772 38.772 39.392 -0.619 19627 1219 1 3 . 1 1 101 101 SER N N 101 117.380 117.380 114.891 2.489 19627 1220 1 3 . 1 1 101 101 SER HA H 101 4.533 4.533 4.709 -0.176 19627 1221 1 3 . 1 1 101 101 SER C C 101 175.075 175.075 173.810 1.265 19627 1222 1 3 . 1 1 101 101 SER CA C 101 57.658 57.658 57.508 0.150 19627 1223 1 3 . 1 1 101 101 SER CB C 101 64.927 64.927 65.808 -0.881 19627 1224 1 3 . 1 1 102 102 ASP N N 102 123.193 123.193 123.689 -0.496 19627 1225 1 3 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.276 -0.670 19627 1226 1 3 . 1 1 102 102 ASP C C 102 177.297 177.297 175.850 1.447 19627 1227 1 3 . 1 1 102 102 ASP CA C 102 55.558 55.558 52.641 2.917 19627 1228 1 3 . 1 1 102 102 ASP CB C 102 40.668 40.668 40.101 0.567 19627 1229 1 3 . 1 1 103 103 LYS N N 103 117.188 117.188 120.711 -3.523 19627 1230 1 3 . 1 1 103 103 LYS HA H 103 5.397 5.397 5.040 0.357 19627 1231 1 3 . 1 1 103 103 LYS CA C 103 55.561 55.561 54.772 0.789 19627 1232 1 3 . 1 1 103 103 LYS CB C 103 39.951 39.951 34.790 5.161 19627 1233 1 3 . 1 1 104 104 ARG N N 104 122.088 122.088 118.304 3.784 19627 1234 1 3 . 1 1 104 104 ARG HA H 104 4.808 4.808 5.002 -0.194 19627 1235 1 3 . 1 1 104 104 ARG C C 104 174.517 174.517 175.513 -0.996 19627 1236 1 3 . 1 1 104 104 ARG CA C 104 55.684 55.684 55.081 0.603 19627 1237 1 3 . 1 1 104 104 ARG CB C 104 33.949 33.949 32.002 1.947 19627 1238 1 3 . 1 1 105 105 LEU N N 105 126.226 126.226 126.378 -0.152 19627 1239 1 3 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.460 1.029 19627 1240 1 3 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.268 -0.126 19627 1241 1 3 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.358 3.494 19627 1242 1 3 . 1 1 106 106 GLU N N 106 120.408 120.408 121.370 -0.962 19627 1243 1 3 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.482 0.863 19627 1244 1 3 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.272 -1.024 19627 1245 1 3 . 1 1 106 106 GLU CB C 106 34.552 34.552 30.086 4.466 19627 1246 1 3 . 1 1 107 107 LYS N N 107 127.864 127.864 117.020 10.844 19627 1247 1 3 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.318 0.156 19627 1248 1 3 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.553 -0.649 19627 1249 1 3 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.290 0.083 19627 1250 1 3 . 1 1 108 108 TYR N N 108 127.870 127.870 120.178 7.692 19627 1251 1 3 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.504 -0.063 19627 1252 1 3 . 1 1 108 108 TYR CA C 108 57.519 57.519 56.696 0.823 19627 1253 1 3 . 1 1 108 108 TYR CB C 108 40.123 40.123 37.741 2.382 19627 1254 1 3 . 1 1 109 109 ASN N N 109 123.534 123.534 128.973 -5.439 19627 1255 1 3 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.494 0.082 19627 1256 1 3 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.074 -0.054 19627 1257 1 3 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.431 3.166 19627 1258 1 4 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.794 -0.274 19627 1259 1 4 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.513 0.693 19627 1260 1 4 . 1 1 2 2 ASP CB C 2 41.225 41.225 43.362 -2.137 19627 1261 1 4 . 1 1 3 3 GLU N N 3 119.869 119.869 118.915 0.954 19627 1262 1 4 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.372 -0.173 19627 1263 1 4 . 1 1 3 3 GLU CA C 3 57.029 57.029 55.912 1.117 19627 1264 1 4 . 1 1 3 3 GLU CB C 3 29.820 29.820 30.251 -0.431 19627 1265 1 4 . 1 1 4 4 ASP N N 4 119.650 119.650 119.746 -0.096 19627 1266 1 4 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.357 0.083 19627 1267 1 4 . 1 1 4 4 ASP CA C 4 55.118 55.118 56.004 -0.886 19627 1268 1 4 . 1 1 4 4 ASP CB C 4 41.245 41.245 39.598 1.647 19627 1269 1 4 . 1 1 5 5 ASP N N 5 119.339 119.339 116.957 2.382 19627 1270 1 4 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.856 -0.226 19627 1271 1 4 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.916 -0.155 19627 1272 1 4 . 1 1 5 5 ASP CB C 5 40.866 40.866 42.199 -1.333 19627 1273 1 4 . 1 1 6 6 LYS N N 6 121.265 121.265 119.257 2.008 19627 1274 1 4 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.674 -0.457 19627 1275 1 4 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.342 0.767 19627 1276 1 4 . 1 1 6 6 LYS CB C 6 33.916 33.916 36.495 -2.579 19627 1277 1 4 . 1 1 7 7 VAL N N 7 122.743 122.743 123.412 -0.669 19627 1278 1 4 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.098 -0.047 19627 1279 1 4 . 1 1 7 7 VAL CA C 7 62.504 62.504 63.047 -0.542 19627 1280 1 4 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.154 1.584 19627 1281 1 4 . 1 1 8 8 GLU N N 8 129.254 129.254 127.480 1.774 19627 1282 1 4 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.531 0.073 19627 1283 1 4 . 1 1 8 8 GLU CA C 8 54.083 54.083 54.952 -0.869 19627 1284 1 4 . 1 1 8 8 GLU CB C 8 30.047 30.047 33.020 -2.973 19627 1285 1 4 . 1 1 9 9 ILE N N 9 123.662 123.662 122.147 1.515 19627 1286 1 4 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.184 -0.365 19627 1287 1 4 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.373 -0.947 19627 1288 1 4 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.375 -0.535 19627 1289 1 4 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.354 -0.016 19627 1290 1 4 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.871 0.915 19627 1291 1 4 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.383 0.476 19627 1292 1 4 . 1 1 11 11 GLN N N 11 112.602 112.602 116.562 -3.960 19627 1293 1 4 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.220 0.002 19627 1294 1 4 . 1 1 11 11 GLN C C 11 176.461 176.461 178.732 -2.271 19627 1295 1 4 . 1 1 11 11 GLN CA C 11 55.805 55.805 58.409 -2.604 19627 1296 1 4 . 1 1 11 11 GLN CB C 11 27.861 27.861 27.816 0.045 19627 1297 1 4 . 1 1 12 12 LEU N N 12 119.555 119.555 122.413 -2.858 19627 1298 1 4 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.082 -0.174 19627 1299 1 4 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.688 0.427 19627 1300 1 4 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.764 1.539 19627 1301 1 4 . 1 1 13 13 VAL N N 13 112.720 112.720 115.176 -2.456 19627 1302 1 4 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.165 -0.413 19627 1303 1 4 . 1 1 13 13 VAL CA C 13 64.717 64.717 63.994 0.723 19627 1304 1 4 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.219 1.810 19627 1305 1 4 . 1 1 14 14 GLY N N 14 116.042 116.042 107.873 8.169 19627 1306 1 4 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.709 -0.958 19627 1307 1 4 . 1 1 15 15 LYS N N 15 120.788 120.788 118.929 1.859 19627 1308 1 4 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.849 0.336 19627 1309 1 4 . 1 1 15 15 LYS CA C 15 55.797 55.797 55.629 0.168 19627 1310 1 4 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.925 0.234 19627 1311 1 4 . 1 1 16 16 TRP N N 16 123.983 123.983 121.157 2.826 19627 1312 1 4 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.938 -0.023 19627 1313 1 4 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.975 -1.175 19627 1314 1 4 . 1 1 16 16 TRP CB C 16 34.179 34.179 31.896 2.283 19627 1315 1 4 . 1 1 17 17 ILE N N 17 122.229 122.229 124.394 -2.165 19627 1316 1 4 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.636 0.256 19627 1317 1 4 . 1 1 17 17 ILE CA C 17 58.782 58.782 60.023 -1.241 19627 1318 1 4 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.620 -0.036 19627 1319 1 4 . 1 1 18 18 VAL N N 18 126.326 126.326 128.433 -2.107 19627 1320 1 4 . 1 1 18 18 VAL HA H 18 3.841 3.841 3.964 -0.123 19627 1321 1 4 . 1 1 18 18 VAL CA C 18 64.643 64.643 64.260 0.383 19627 1322 1 4 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.053 0.515 19627 1323 1 4 . 1 1 19 19 LYS N N 19 129.061 129.061 120.953 8.108 19627 1324 1 4 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.243 0.213 19627 1325 1 4 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.476 -1.952 19627 1326 1 4 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.774 2.399 19627 1327 1 4 . 1 1 20 20 GLU N N 20 118.305 118.305 119.761 -1.456 19627 1328 1 4 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.581 -0.191 19627 1329 1 4 . 1 1 20 20 GLU CA C 20 54.118 54.118 55.070 -0.952 19627 1330 1 4 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.476 2.037 19627 1331 1 4 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.532 0.075 19627 1332 1 4 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.522 0.108 19627 1333 1 4 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.416 2.374 19627 1334 1 4 . 1 1 22 22 VAL N N 22 119.998 119.998 120.144 -0.146 19627 1335 1 4 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.930 0.087 19627 1336 1 4 . 1 1 22 22 VAL CA C 22 62.374 62.374 63.505 -1.131 19627 1337 1 4 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.148 0.789 19627 1338 1 4 . 1 1 23 23 LEU N N 23 128.343 128.343 124.043 4.300 19627 1339 1 4 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.622 -0.175 19627 1340 1 4 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.070 0.120 19627 1341 1 4 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.703 0.125 19627 1342 1 4 . 1 1 24 24 GLN N N 24 117.971 117.971 118.556 -0.585 19627 1343 1 4 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.357 -0.097 19627 1344 1 4 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.891 -0.293 19627 1345 1 4 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.592 0.512 19627 1346 1 4 . 1 1 25 25 ASP N N 25 117.501 117.501 117.909 -0.408 19627 1347 1 4 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.457 -0.251 19627 1348 1 4 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.714 0.056 19627 1349 1 4 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.211 -0.249 19627 1350 1 4 . 1 1 26 26 ASP N N 26 112.782 112.782 114.043 -1.261 19627 1351 1 4 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.215 0.120 19627 1352 1 4 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.580 -0.421 19627 1353 1 4 . 1 1 26 26 ASP CB C 26 39.737 39.737 39.948 -0.211 19627 1354 1 4 . 1 1 27 27 PHE N N 27 118.623 118.623 118.860 -0.237 19627 1355 1 4 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.308 0.119 19627 1356 1 4 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.668 -1.657 19627 1357 1 4 . 1 1 27 27 PHE CB C 27 40.533 40.533 39.846 0.687 19627 1358 1 4 . 1 1 28 28 VAL N N 28 119.117 119.117 119.243 -0.126 19627 1359 1 4 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.414 0.086 19627 1360 1 4 . 1 1 28 28 VAL CA C 28 60.900 60.900 59.681 1.219 19627 1361 1 4 . 1 1 28 28 VAL CB C 28 36.175 36.175 34.968 1.208 19627 1362 1 4 . 1 1 29 29 THR N N 29 124.304 124.304 120.533 3.771 19627 1363 1 4 . 1 1 29 29 THR HA H 29 5.212 5.212 5.130 0.082 19627 1364 1 4 . 1 1 29 29 THR CA C 29 62.051 62.051 61.369 0.682 19627 1365 1 4 . 1 1 29 29 THR CB C 29 70.541 70.541 71.491 -0.950 19627 1366 1 4 . 1 1 30 30 CYS N N 30 123.969 123.969 122.453 1.516 19627 1367 1 4 . 1 1 30 30 CYS HA H 30 5.581 5.581 4.980 0.601 19627 1368 1 4 . 1 1 30 30 CYS CA C 30 56.066 56.066 57.688 -1.622 19627 1369 1 4 . 1 1 30 30 CYS CB C 30 31.010 31.010 29.873 1.137 19627 1370 1 4 . 1 1 31 31 TYR N N 31 125.131 125.131 125.239 -0.108 19627 1371 1 4 . 1 1 31 31 TYR HA H 31 5.165 5.165 5.344 -0.179 19627 1372 1 4 . 1 1 31 31 TYR CA C 31 57.270 57.270 56.706 0.564 19627 1373 1 4 . 1 1 31 31 TYR CB C 31 43.631 43.631 41.481 2.150 19627 1374 1 4 . 1 1 32 32 THR N N 32 118.682 118.682 117.241 1.441 19627 1375 1 4 . 1 1 32 32 THR HA H 32 5.122 5.122 4.866 0.256 19627 1376 1 4 . 1 1 32 32 THR CA C 32 61.828 61.828 60.759 1.069 19627 1377 1 4 . 1 1 32 32 THR CB C 32 70.848 70.848 71.420 -0.572 19627 1378 1 4 . 1 1 33 33 PHE N N 33 123.161 123.161 121.868 1.293 19627 1379 1 4 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.906 -0.062 19627 1380 1 4 . 1 1 33 33 PHE CA C 33 57.983 57.983 56.515 1.468 19627 1381 1 4 . 1 1 33 33 PHE CB C 33 40.905 40.905 40.746 0.159 19627 1382 1 4 . 1 1 34 34 ASN N N 34 119.699 119.699 122.287 -2.588 19627 1383 1 4 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.816 0.539 19627 1384 1 4 . 1 1 34 34 ASN CA C 34 52.483 52.483 53.397 -0.914 19627 1385 1 4 . 1 1 34 34 ASN CB C 34 41.443 41.443 40.061 1.382 19627 1386 1 4 . 1 1 35 35 ALA N N 35 128.044 128.044 120.615 7.429 19627 1387 1 4 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.242 -0.075 19627 1388 1 4 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.401 0.413 19627 1389 1 4 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.130 -0.725 19627 1390 1 4 . 1 1 36 36 ASP N N 36 116.944 116.944 113.055 3.889 19627 1391 1 4 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.714 -0.277 19627 1392 1 4 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.861 -1.466 19627 1393 1 4 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.523 -2.011 19627 1394 1 4 . 1 1 37 37 LYS N N 37 108.202 108.202 119.185 -10.983 19627 1395 1 4 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.171 -0.907 19627 1396 1 4 . 1 1 37 37 LYS CA C 37 59.074 59.074 58.233 0.841 19627 1397 1 4 . 1 1 37 37 LYS CB C 37 27.597 27.597 32.904 -5.307 19627 1398 1 4 . 1 1 38 38 THR N N 38 107.877 107.877 105.389 2.488 19627 1399 1 4 . 1 1 38 38 THR HA H 38 5.403 5.403 5.203 0.200 19627 1400 1 4 . 1 1 38 38 THR CA C 38 61.011 61.011 60.038 0.973 19627 1401 1 4 . 1 1 38 38 THR CB C 38 72.829 72.829 71.816 1.013 19627 1402 1 4 . 1 1 39 39 TYR N N 39 117.837 117.837 118.301 -0.464 19627 1403 1 4 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.538 0.176 19627 1404 1 4 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.243 0.499 19627 1405 1 4 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.565 2.014 19627 1406 1 4 . 1 1 40 40 GLU N N 40 118.677 118.677 118.105 0.572 19627 1407 1 4 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.275 -0.022 19627 1408 1 4 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.610 -0.551 19627 1409 1 4 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.208 0.747 19627 1410 1 4 . 1 1 41 41 VAL N N 41 121.838 121.838 122.309 -0.471 19627 1411 1 4 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.681 0.478 19627 1412 1 4 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.896 -0.356 19627 1413 1 4 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.801 -0.477 19627 1414 1 4 . 1 1 42 42 TYR N N 42 126.740 126.740 122.988 3.752 19627 1415 1 4 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.952 -0.137 19627 1416 1 4 . 1 1 42 42 TYR CA C 42 56.841 56.841 55.607 1.234 19627 1417 1 4 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.321 1.972 19627 1418 1 4 . 1 1 43 43 THR N N 43 122.111 122.111 116.036 6.075 19627 1419 1 4 . 1 1 43 43 THR HA H 43 5.126 5.126 5.075 0.051 19627 1420 1 4 . 1 1 43 43 THR CA C 43 60.915 60.915 59.923 0.992 19627 1421 1 4 . 1 1 43 43 THR CB C 43 70.667 70.667 71.058 -0.391 19627 1422 1 4 . 1 1 44 44 GLY N N 44 112.123 112.123 112.960 -0.837 19627 1423 1 4 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.208 -0.170 19627 1424 1 4 . 1 1 45 45 SER N N 45 118.181 118.181 116.347 1.834 19627 1425 1 4 . 1 1 45 45 SER HA H 45 4.736 4.736 4.365 0.371 19627 1426 1 4 . 1 1 45 45 SER CA C 45 55.721 55.721 58.225 -2.504 19627 1427 1 4 . 1 1 45 45 SER CB C 45 64.234 64.234 62.807 1.427 19627 1428 1 4 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.316 -0.038 19627 1429 1 4 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.199 0.704 19627 1430 1 4 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.036 0.064 19627 1431 1 4 . 1 1 47 47 LEU N N 47 115.053 115.053 119.688 -4.635 19627 1432 1 4 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.227 0.049 19627 1433 1 4 . 1 1 47 47 LEU CA C 47 54.820 54.820 56.483 -1.663 19627 1434 1 4 . 1 1 47 47 LEU CB C 47 42.497 42.497 41.638 0.859 19627 1435 1 4 . 1 1 48 48 SER N N 48 114.930 114.930 111.988 2.942 19627 1436 1 4 . 1 1 48 48 SER HA H 48 4.418 4.418 4.571 -0.153 19627 1437 1 4 . 1 1 48 48 SER CA C 48 57.896 57.896 57.467 0.429 19627 1438 1 4 . 1 1 48 48 SER CB C 48 64.328 64.328 65.063 -0.735 19627 1439 1 4 . 1 1 49 49 ASN N N 49 121.801 121.801 119.994 1.807 19627 1440 1 4 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.825 -0.142 19627 1441 1 4 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.128 0.119 19627 1442 1 4 . 1 1 49 49 ASN CB C 49 39.147 39.147 39.552 -0.405 19627 1443 1 4 . 1 1 50 50 GLY N N 50 108.685 108.685 110.083 -1.398 19627 1444 1 4 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.328 -0.279 19627 1445 1 4 . 1 1 51 51 VAL N N 51 121.162 121.162 121.066 0.096 19627 1446 1 4 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.365 0.029 19627 1447 1 4 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.682 -0.024 19627 1448 1 4 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.284 1.200 19627 1449 1 4 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.247 0.414 19627 1450 1 4 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.105 0.788 19627 1451 1 4 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.822 0.074 19627 1452 1 4 . 1 1 53 53 PHE N N 53 123.537 123.537 120.403 3.134 19627 1453 1 4 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.215 0.363 19627 1454 1 4 . 1 1 53 53 PHE CA C 53 57.762 57.762 59.514 -1.752 19627 1455 1 4 . 1 1 53 53 PHE CB C 53 40.652 40.652 39.967 0.685 19627 1456 1 4 . 1 1 54 54 ARG N N 54 124.570 124.570 127.453 -2.883 19627 1457 1 4 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.612 0.282 19627 1458 1 4 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.265 0.336 19627 1459 1 4 . 1 1 54 54 ARG CB C 54 33.401 33.401 31.885 1.516 19627 1460 1 4 . 1 1 55 55 GLY N N 55 107.998 107.998 110.183 -2.185 19627 1461 1 4 . 1 1 55 55 GLY CA C 55 45.542 45.542 43.886 1.656 19627 1462 1 4 . 1 1 56 56 THR N N 56 114.021 114.021 114.004 0.017 19627 1463 1 4 . 1 1 56 56 THR HA H 56 5.777 5.777 5.094 0.683 19627 1464 1 4 . 1 1 56 56 THR CA C 56 60.409 60.409 60.486 -0.077 19627 1465 1 4 . 1 1 56 56 THR CB C 56 72.641 72.641 71.843 0.798 19627 1466 1 4 . 1 1 57 57 TYR N N 57 115.684 115.684 118.471 -2.787 19627 1467 1 4 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.488 0.768 19627 1468 1 4 . 1 1 57 57 TYR CA C 57 55.645 55.645 55.997 -0.352 19627 1469 1 4 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.717 1.635 19627 1470 1 4 . 1 1 58 58 ILE N N 58 118.048 118.048 121.527 -3.479 19627 1471 1 4 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.265 0.090 19627 1472 1 4 . 1 1 58 58 ILE CA C 58 60.009 60.009 59.972 0.037 19627 1473 1 4 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.185 0.740 19627 1474 1 4 . 1 1 59 59 ILE N N 59 124.887 124.887 124.470 0.417 19627 1475 1 4 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.351 0.653 19627 1476 1 4 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.990 -1.715 19627 1477 1 4 . 1 1 59 59 ILE CB C 59 40.709 40.709 36.319 4.390 19627 1478 1 4 . 1 1 60 60 SER N N 60 122.768 122.768 113.100 9.668 19627 1479 1 4 . 1 1 60 60 SER HA H 60 4.835 4.835 4.727 0.108 19627 1480 1 4 . 1 1 60 60 SER CA C 60 55.735 55.735 57.730 -1.995 19627 1481 1 4 . 1 1 60 60 SER CB C 60 63.250 63.250 65.951 -2.701 19627 1482 1 4 . 1 1 61 61 LEU N N 61 129.303 129.303 122.507 6.796 19627 1483 1 4 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.579 -0.733 19627 1484 1 4 . 1 1 61 61 LEU CA C 61 58.659 58.659 55.994 2.665 19627 1485 1 4 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.157 -0.195 19627 1486 1 4 . 1 1 62 62 ASP N N 62 118.454 118.454 118.005 0.449 19627 1487 1 4 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.803 -0.500 19627 1488 1 4 . 1 1 62 62 ASP CA C 62 57.114 57.114 54.823 2.291 19627 1489 1 4 . 1 1 62 62 ASP CB C 62 40.178 40.178 42.376 -2.198 19627 1490 1 4 . 1 1 63 63 GLU N N 63 115.083 115.083 121.044 -5.961 19627 1491 1 4 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.478 -0.247 19627 1492 1 4 . 1 1 63 63 GLU CA C 63 55.915 55.915 55.880 0.035 19627 1493 1 4 . 1 1 63 63 GLU CB C 63 31.398 31.398 30.582 0.816 19627 1494 1 4 . 1 1 64 64 LYS N N 64 117.578 117.578 119.492 -1.914 19627 1495 1 4 . 1 1 65 65 LEU N N 65 119.527 119.527 118.236 1.291 19627 1496 1 4 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.629 0.521 19627 1497 1 4 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.763 -0.408 19627 1498 1 4 . 1 1 65 65 LEU CB C 65 47.627 47.627 46.106 1.521 19627 1499 1 4 . 1 1 66 66 ILE N N 66 123.527 123.527 122.056 1.471 19627 1500 1 4 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.050 -0.047 19627 1501 1 4 . 1 1 66 66 ILE CA C 66 58.348 58.348 58.720 -0.372 19627 1502 1 4 . 1 1 66 66 ILE CB C 66 42.093 42.093 40.978 1.115 19627 1503 1 4 . 1 1 67 67 LYS N N 67 125.168 125.168 127.568 -2.400 19627 1504 1 4 . 1 1 67 67 LYS HA H 67 4.407 4.407 5.019 -0.612 19627 1505 1 4 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.494 0.788 19627 1506 1 4 . 1 1 67 67 LYS CB C 67 36.248 36.248 37.190 -0.942 19627 1507 1 4 . 1 1 68 68 LEU N N 68 123.218 123.218 121.948 1.270 19627 1508 1 4 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.843 -0.045 19627 1509 1 4 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.624 1.206 19627 1510 1 4 . 1 1 68 68 LEU CB C 68 40.826 40.826 42.646 -1.820 19627 1511 1 4 . 1 1 69 69 TYR N N 69 119.751 119.751 120.863 -1.112 19627 1512 1 4 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.249 0.175 19627 1513 1 4 . 1 1 69 69 TYR CA C 69 57.166 57.166 56.704 0.462 19627 1514 1 4 . 1 1 69 69 TYR CB C 69 42.319 42.319 42.419 -0.100 19627 1515 1 4 . 1 1 70 70 ASP N N 70 120.335 120.335 123.340 -3.005 19627 1516 1 4 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.295 -0.253 19627 1517 1 4 . 1 1 70 70 ASP CA C 70 52.428 52.428 53.489 -1.061 19627 1518 1 4 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.217 -0.007 19627 1519 1 4 . 1 1 71 71 LYS N N 71 117.975 117.975 120.165 -2.190 19627 1520 1 4 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.059 0.146 19627 1521 1 4 . 1 1 71 71 LYS CA C 71 58.189 58.189 59.554 -1.365 19627 1522 1 4 . 1 1 71 71 LYS CB C 71 32.224 32.224 32.159 0.065 19627 1523 1 4 . 1 1 72 72 GLU N N 72 119.779 119.779 118.242 1.537 19627 1524 1 4 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.275 0.001 19627 1525 1 4 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.353 -0.530 19627 1526 1 4 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.104 0.535 19627 1527 1 4 . 1 1 73 73 GLU N N 73 112.572 112.572 115.466 -2.894 19627 1528 1 4 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.190 -0.584 19627 1529 1 4 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.398 0.693 19627 1530 1 4 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.917 -1.017 19627 1531 1 4 . 1 1 74 74 HIS N N 74 118.561 118.561 112.398 6.163 19627 1532 1 4 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.617 0.255 19627 1533 1 4 . 1 1 74 74 HIS CA C 74 54.491 54.491 53.563 0.928 19627 1534 1 4 . 1 1 74 74 HIS CB C 74 28.650 28.650 31.684 -3.034 19627 1535 1 4 . 1 1 75 75 CYS N N 75 126.459 126.459 122.534 3.925 19627 1536 1 4 . 1 1 75 75 CYS HA H 75 4.050 4.050 4.030 0.020 19627 1537 1 4 . 1 1 75 75 CYS CA C 75 58.539 58.539 59.877 -1.338 19627 1538 1 4 . 1 1 75 75 CYS CB C 75 26.305 26.305 26.510 -0.205 19627 1539 1 4 . 1 1 76 76 THR N N 76 123.868 123.868 119.594 4.274 19627 1540 1 4 . 1 1 76 76 THR HA H 76 4.115 4.115 4.422 -0.307 19627 1541 1 4 . 1 1 76 76 THR CA C 76 62.701 62.701 63.214 -0.513 19627 1542 1 4 . 1 1 76 76 THR CB C 76 68.451 68.451 69.879 -1.428 19627 1543 1 4 . 1 1 77 77 GLU N N 77 120.185 120.185 118.655 1.530 19627 1544 1 4 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.650 -0.475 19627 1545 1 4 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.000 -0.303 19627 1546 1 4 . 1 1 77 77 GLU CB C 77 34.100 34.100 34.111 -0.011 19627 1547 1 4 . 1 1 78 78 GLN N N 78 118.401 118.401 117.631 0.770 19627 1548 1 4 . 1 1 78 78 GLN HA H 78 4.697 4.697 5.184 -0.487 19627 1549 1 4 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.102 -0.169 19627 1550 1 4 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.263 -0.421 19627 1551 1 4 . 1 1 79 79 TYR N N 79 116.069 116.069 117.262 -1.193 19627 1552 1 4 . 1 1 79 79 TYR HA H 79 4.850 4.850 5.007 -0.157 19627 1553 1 4 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.636 -0.637 19627 1554 1 4 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.961 -0.148 19627 1555 1 4 . 1 1 80 80 HIS N N 80 119.747 119.747 120.715 -0.968 19627 1556 1 4 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.703 0.470 19627 1557 1 4 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.701 -0.580 19627 1558 1 4 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.760 -2.040 19627 1559 1 4 . 1 1 81 81 ILE N N 81 126.268 126.268 126.586 -0.318 19627 1560 1 4 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.823 0.397 19627 1561 1 4 . 1 1 81 81 ILE CA C 81 61.739 61.739 61.393 0.346 19627 1562 1 4 . 1 1 81 81 ILE CB C 81 38.354 38.354 36.648 1.706 19627 1563 1 4 . 1 1 82 82 LEU N N 82 127.552 127.552 128.539 -0.987 19627 1564 1 4 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.162 -0.068 19627 1565 1 4 . 1 1 82 82 LEU CA C 82 55.392 55.392 56.799 -1.407 19627 1566 1 4 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.308 0.807 19627 1567 1 4 . 1 1 83 83 LYS N N 83 115.809 115.809 115.266 0.543 19627 1568 1 4 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.544 -0.344 19627 1569 1 4 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.486 0.207 19627 1570 1 4 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.212 0.710 19627 1571 1 4 . 1 1 84 84 LEU N N 84 129.953 129.953 123.238 6.715 19627 1572 1 4 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.297 -0.463 19627 1573 1 4 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.956 -0.342 19627 1574 1 4 . 1 1 84 84 LEU CB C 84 43.767 43.767 46.516 -2.749 19627 1575 1 4 . 1 1 85 85 THR N N 85 119.648 119.648 112.860 6.788 19627 1576 1 4 . 1 1 85 85 THR HA H 85 4.897 4.897 4.848 0.049 19627 1577 1 4 . 1 1 85 85 THR CA C 85 58.717 58.717 60.168 -1.451 19627 1578 1 4 . 1 1 85 85 THR CB C 85 72.356 72.356 70.960 1.395 19627 1579 1 4 . 1 1 86 86 SER N N 86 108.790 108.790 114.078 -5.288 19627 1580 1 4 . 1 1 86 86 SER HA H 86 4.165 4.165 4.375 -0.210 19627 1581 1 4 . 1 1 86 86 SER CA C 86 60.370 60.370 60.717 -0.347 19627 1582 1 4 . 1 1 86 86 SER CB C 86 63.258 63.258 63.332 -0.074 19627 1583 1 4 . 1 1 87 87 LYS N N 87 116.161 116.161 115.190 0.971 19627 1584 1 4 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.418 0.096 19627 1585 1 4 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.320 0.159 19627 1586 1 4 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.524 1.840 19627 1587 1 4 . 1 1 88 88 GLU N N 88 119.485 119.485 121.341 -1.856 19627 1588 1 4 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.836 0.627 19627 1589 1 4 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.736 -0.141 19627 1590 1 4 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.488 2.113 19627 1591 1 4 . 1 1 89 89 MET N N 89 122.595 122.595 126.908 -4.313 19627 1592 1 4 . 1 1 89 89 MET HA H 89 4.940 4.940 4.892 0.048 19627 1593 1 4 . 1 1 89 89 MET CA C 89 53.785 53.785 54.632 -0.847 19627 1594 1 4 . 1 1 89 89 MET CB C 89 36.210 36.210 36.210 0.000 19627 1595 1 4 . 1 1 90 90 LYS N N 90 124.449 124.449 127.562 -3.113 19627 1596 1 4 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.798 -0.003 19627 1597 1 4 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.397 -0.043 19627 1598 1 4 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.213 3.550 19627 1599 1 4 . 1 1 91 91 TRP N N 91 125.457 125.457 127.584 -2.127 19627 1600 1 4 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.941 0.573 19627 1601 1 4 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.989 -3.479 19627 1602 1 4 . 1 1 91 91 TRP CB C 91 34.752 34.752 29.809 4.943 19627 1603 1 4 . 1 1 92 92 GLU N N 92 123.111 123.111 126.362 -3.251 19627 1604 1 4 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.348 0.527 19627 1605 1 4 . 1 1 92 92 GLU C C 92 176.109 176.109 176.790 -0.681 19627 1606 1 4 . 1 1 92 92 GLU CA C 92 53.610 53.610 55.933 -2.323 19627 1607 1 4 . 1 1 92 92 GLU CB C 92 33.384 33.384 32.311 1.073 19627 1608 1 4 . 1 1 93 93 ASN N N 93 126.757 126.757 124.608 2.149 19627 1609 1 4 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.400 0.003 19627 1610 1 4 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.275 -1.283 19627 1611 1 4 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.607 -1.004 19627 1612 1 4 . 1 1 94 94 ALA N N 94 130.509 130.509 119.572 10.937 19627 1613 1 4 . 1 1 94 94 ALA HA H 94 4.205 4.205 3.986 0.219 19627 1614 1 4 . 1 1 94 94 ALA CA C 94 52.062 52.062 53.938 -1.876 19627 1615 1 4 . 1 1 94 94 ALA CB C 94 19.010 19.010 16.779 2.231 19627 1616 1 4 . 1 1 95 95 SER N N 95 114.601 114.601 115.427 -0.826 19627 1617 1 4 . 1 1 95 95 SER HA H 95 4.545 4.545 4.895 -0.350 19627 1618 1 4 . 1 1 95 95 SER CA C 95 54.544 54.544 54.005 0.539 19627 1619 1 4 . 1 1 95 95 SER CB C 95 63.081 63.081 63.064 0.017 19627 1620 1 4 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.594 -0.290 19627 1621 1 4 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.018 0.571 19627 1622 1 4 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.808 0.450 19627 1623 1 4 . 1 1 97 97 LYS N N 97 118.117 118.117 116.580 1.537 19627 1624 1 4 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.100 0.048 19627 1625 1 4 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.314 -0.867 19627 1626 1 4 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.569 0.422 19627 1627 1 4 . 1 1 98 98 ASP N N 98 119.820 119.820 118.939 0.881 19627 1628 1 4 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.521 -0.196 19627 1629 1 4 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.695 -0.097 19627 1630 1 4 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.519 -0.737 19627 1631 1 4 . 1 1 99 99 GLY N N 99 107.593 107.593 109.253 -1.660 19627 1632 1 4 . 1 1 99 99 GLY CA C 99 45.636 45.636 45.377 0.259 19627 1633 1 4 . 1 1 100 100 ASN N N 100 119.859 119.859 121.234 -1.375 19627 1634 1 4 . 1 1 100 100 ASN HA H 100 4.720 4.720 5.073 -0.353 19627 1635 1 4 . 1 1 100 100 ASN C C 100 175.832 175.832 175.619 0.213 19627 1636 1 4 . 1 1 100 100 ASN CA C 100 53.853 53.853 51.831 2.022 19627 1637 1 4 . 1 1 100 100 ASN CB C 100 38.772 38.772 40.825 -2.053 19627 1638 1 4 . 1 1 101 101 SER N N 101 117.380 117.380 114.784 2.596 19627 1639 1 4 . 1 1 101 101 SER HA H 101 4.533 4.533 4.512 0.021 19627 1640 1 4 . 1 1 101 101 SER C C 101 175.075 175.075 174.378 0.697 19627 1641 1 4 . 1 1 101 101 SER CA C 101 57.658 57.658 58.706 -1.048 19627 1642 1 4 . 1 1 101 101 SER CB C 101 64.927 64.927 64.195 0.732 19627 1643 1 4 . 1 1 102 102 ASP N N 102 123.193 123.193 116.638 6.555 19627 1644 1 4 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.177 -0.571 19627 1645 1 4 . 1 1 102 102 ASP C C 102 177.297 177.297 175.829 1.468 19627 1646 1 4 . 1 1 102 102 ASP CA C 102 55.558 55.558 53.308 2.250 19627 1647 1 4 . 1 1 102 102 ASP CB C 102 40.668 40.668 41.499 -0.831 19627 1648 1 4 . 1 1 103 103 LYS N N 103 117.188 117.188 120.789 -3.601 19627 1649 1 4 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.658 0.739 19627 1650 1 4 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.226 0.335 19627 1651 1 4 . 1 1 103 103 LYS CB C 103 39.951 39.951 34.051 5.900 19627 1652 1 4 . 1 1 104 104 ARG N N 104 122.088 122.088 121.499 0.589 19627 1653 1 4 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.805 0.003 19627 1654 1 4 . 1 1 104 104 ARG C C 104 174.517 174.517 175.116 -0.599 19627 1655 1 4 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.592 1.092 19627 1656 1 4 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.071 2.878 19627 1657 1 4 . 1 1 105 105 LEU N N 105 126.226 126.226 127.483 -1.257 19627 1658 1 4 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.479 1.010 19627 1659 1 4 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.958 -0.816 19627 1660 1 4 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.330 3.522 19627 1661 1 4 . 1 1 106 106 GLU N N 106 120.408 120.408 124.181 -3.773 19627 1662 1 4 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.908 0.437 19627 1663 1 4 . 1 1 106 106 GLU CA C 106 54.248 54.248 54.750 -0.502 19627 1664 1 4 . 1 1 106 106 GLU CB C 106 34.552 34.552 30.421 4.131 19627 1665 1 4 . 1 1 107 107 LYS N N 107 127.864 127.864 119.041 8.823 19627 1666 1 4 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.397 0.077 19627 1667 1 4 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.563 -0.659 19627 1668 1 4 . 1 1 107 107 LYS CB C 107 32.373 32.373 31.895 0.478 19627 1669 1 4 . 1 1 108 108 TYR N N 108 127.870 127.870 121.913 5.957 19627 1670 1 4 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.536 -0.095 19627 1671 1 4 . 1 1 108 108 TYR CA C 108 57.519 57.519 56.692 0.827 19627 1672 1 4 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.581 1.542 19627 1673 1 4 . 1 1 109 109 ASN N N 109 123.534 123.534 125.596 -2.062 19627 1674 1 4 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.271 0.305 19627 1675 1 4 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.556 -0.536 19627 1676 1 4 . 1 1 109 109 ASN CB C 109 40.596 40.596 38.118 2.478 19627 1677 1 5 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.408 0.112 19627 1678 1 5 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.630 0.576 19627 1679 1 5 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.101 0.124 19627 1680 1 5 . 1 1 3 3 GLU N N 3 119.869 119.869 120.664 -0.795 19627 1681 1 5 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.428 -0.229 19627 1682 1 5 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.409 0.620 19627 1683 1 5 . 1 1 3 3 GLU CB C 3 29.820 29.820 30.138 -0.318 19627 1684 1 5 . 1 1 4 4 ASP N N 4 119.650 119.650 120.904 -1.254 19627 1685 1 5 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.717 -0.277 19627 1686 1 5 . 1 1 4 4 ASP CA C 4 55.118 55.118 53.720 1.398 19627 1687 1 5 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.279 -0.034 19627 1688 1 5 . 1 1 5 5 ASP N N 5 119.339 119.339 118.825 0.514 19627 1689 1 5 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.276 0.354 19627 1690 1 5 . 1 1 5 5 ASP CA C 5 53.761 53.761 55.022 -1.260 19627 1691 1 5 . 1 1 5 5 ASP CB C 5 40.866 40.866 39.999 0.867 19627 1692 1 5 . 1 1 6 6 LYS N N 6 121.265 121.265 113.742 7.523 19627 1693 1 5 . 1 1 6 6 LYS HA H 6 4.217 4.217 3.949 0.268 19627 1694 1 5 . 1 1 6 6 LYS CA C 6 56.109 56.109 56.851 -0.742 19627 1695 1 5 . 1 1 6 6 LYS CB C 6 33.916 33.916 31.516 2.400 19627 1696 1 5 . 1 1 7 7 VAL N N 7 122.743 122.743 120.741 2.002 19627 1697 1 5 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.513 -0.462 19627 1698 1 5 . 1 1 7 7 VAL CA C 7 62.504 62.504 61.362 1.142 19627 1699 1 5 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.165 1.573 19627 1700 1 5 . 1 1 8 8 GLU N N 8 129.254 129.254 127.586 1.668 19627 1701 1 5 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.508 0.096 19627 1702 1 5 . 1 1 8 8 GLU CA C 8 54.083 54.083 56.033 -1.950 19627 1703 1 5 . 1 1 8 8 GLU CB C 8 30.047 30.047 31.750 -1.703 19627 1704 1 5 . 1 1 9 9 ILE N N 9 123.662 123.662 122.487 1.175 19627 1705 1 5 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.171 -0.352 19627 1706 1 5 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.514 -1.088 19627 1707 1 5 . 1 1 9 9 ILE CB C 9 34.840 34.840 36.797 -1.957 19627 1708 1 5 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.349 -0.011 19627 1709 1 5 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.775 1.011 19627 1710 1 5 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.244 0.615 19627 1711 1 5 . 1 1 11 11 GLN N N 11 112.602 112.602 118.903 -6.301 19627 1712 1 5 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.163 0.059 19627 1713 1 5 . 1 1 11 11 GLN C C 11 176.461 176.461 178.121 -1.660 19627 1714 1 5 . 1 1 11 11 GLN CA C 11 55.805 55.805 58.225 -2.420 19627 1715 1 5 . 1 1 11 11 GLN CB C 11 27.861 27.861 27.808 0.053 19627 1716 1 5 . 1 1 12 12 LEU N N 12 119.555 119.555 121.893 -2.338 19627 1717 1 5 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.091 -0.183 19627 1718 1 5 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.950 0.166 19627 1719 1 5 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.873 1.430 19627 1720 1 5 . 1 1 13 13 VAL N N 13 112.720 112.720 115.500 -2.780 19627 1721 1 5 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.926 -0.174 19627 1722 1 5 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.173 0.544 19627 1723 1 5 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.356 1.673 19627 1724 1 5 . 1 1 14 14 GLY N N 14 116.042 116.042 107.493 8.549 19627 1725 1 5 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.253 -0.502 19627 1726 1 5 . 1 1 15 15 LYS N N 15 120.788 120.788 120.204 0.584 19627 1727 1 5 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.256 0.929 19627 1728 1 5 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.414 -0.617 19627 1729 1 5 . 1 1 15 15 LYS CB C 15 35.159 35.159 33.513 1.646 19627 1730 1 5 . 1 1 16 16 TRP N N 16 123.983 123.983 120.690 3.293 19627 1731 1 5 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.959 -0.044 19627 1732 1 5 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.317 -0.517 19627 1733 1 5 . 1 1 16 16 TRP CB C 16 34.179 34.179 33.002 1.177 19627 1734 1 5 . 1 1 17 17 ILE N N 17 122.229 122.229 121.304 0.925 19627 1735 1 5 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.801 0.091 19627 1736 1 5 . 1 1 17 17 ILE CA C 17 58.782 58.782 59.374 -0.592 19627 1737 1 5 . 1 1 17 17 ILE CB C 17 40.584 40.584 41.988 -1.404 19627 1738 1 5 . 1 1 18 18 VAL N N 18 126.326 126.326 126.066 0.260 19627 1739 1 5 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.109 -0.268 19627 1740 1 5 . 1 1 18 18 VAL CA C 18 64.643 64.643 62.792 1.851 19627 1741 1 5 . 1 1 18 18 VAL CB C 18 31.568 31.568 32.427 -0.859 19627 1742 1 5 . 1 1 19 19 LYS N N 19 129.061 129.061 121.832 7.229 19627 1743 1 5 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.285 0.171 19627 1744 1 5 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.816 -2.292 19627 1745 1 5 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.893 2.280 19627 1746 1 5 . 1 1 20 20 GLU N N 20 118.305 118.305 119.588 -1.283 19627 1747 1 5 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.597 -0.207 19627 1748 1 5 . 1 1 20 20 GLU CA C 20 54.118 54.118 54.327 -0.209 19627 1749 1 5 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.947 1.567 19627 1750 1 5 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.472 0.135 19627 1751 1 5 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.830 -0.200 19627 1752 1 5 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.101 2.689 19627 1753 1 5 . 1 1 22 22 VAL N N 22 119.998 119.998 120.074 -0.076 19627 1754 1 5 . 1 1 22 22 VAL HA H 22 4.017 4.017 4.008 0.009 19627 1755 1 5 . 1 1 22 22 VAL CA C 22 62.374 62.374 63.112 -0.738 19627 1756 1 5 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.136 0.801 19627 1757 1 5 . 1 1 23 23 LEU N N 23 128.343 128.343 124.734 3.609 19627 1758 1 5 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.698 -0.251 19627 1759 1 5 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.633 -0.443 19627 1760 1 5 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.871 -0.043 19627 1761 1 5 . 1 1 24 24 GLN N N 24 117.971 117.971 117.706 0.265 19627 1762 1 5 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.417 -0.157 19627 1763 1 5 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.154 0.444 19627 1764 1 5 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.716 0.388 19627 1765 1 5 . 1 1 25 25 ASP N N 25 117.501 117.501 118.732 -1.231 19627 1766 1 5 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.366 -0.160 19627 1767 1 5 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.151 0.618 19627 1768 1 5 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.096 -0.134 19627 1769 1 5 . 1 1 26 26 ASP N N 26 112.782 112.782 113.877 -1.095 19627 1770 1 5 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.322 0.013 19627 1771 1 5 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.576 -0.417 19627 1772 1 5 . 1 1 26 26 ASP CB C 26 39.737 39.737 40.225 -0.488 19627 1773 1 5 . 1 1 27 27 PHE N N 27 118.623 118.623 120.564 -1.941 19627 1774 1 5 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.384 0.043 19627 1775 1 5 . 1 1 27 27 PHE CA C 27 58.011 58.011 58.630 -0.619 19627 1776 1 5 . 1 1 27 27 PHE CB C 27 40.533 40.533 38.079 2.454 19627 1777 1 5 . 1 1 28 28 VAL N N 28 119.117 119.117 120.818 -1.701 19627 1778 1 5 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.742 -0.242 19627 1779 1 5 . 1 1 28 28 VAL CA C 28 60.900 60.900 59.559 1.341 19627 1780 1 5 . 1 1 28 28 VAL CB C 28 36.175 36.175 34.914 1.261 19627 1781 1 5 . 1 1 29 29 THR N N 29 124.304 124.304 117.246 7.058 19627 1782 1 5 . 1 1 29 29 THR HA H 29 5.212 5.212 5.107 0.105 19627 1783 1 5 . 1 1 29 29 THR CA C 29 62.051 62.051 61.840 0.211 19627 1784 1 5 . 1 1 29 29 THR CB C 29 70.541 70.541 71.963 -1.423 19627 1785 1 5 . 1 1 30 30 CYS N N 30 123.969 123.969 122.870 1.099 19627 1786 1 5 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.288 0.293 19627 1787 1 5 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.262 -0.196 19627 1788 1 5 . 1 1 30 30 CYS CB C 30 31.010 31.010 29.239 1.771 19627 1789 1 5 . 1 1 31 31 TYR N N 31 125.131 125.131 124.704 0.427 19627 1790 1 5 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.566 0.599 19627 1791 1 5 . 1 1 31 31 TYR CA C 31 57.270 57.270 57.327 -0.057 19627 1792 1 5 . 1 1 31 31 TYR CB C 31 43.631 43.631 37.192 6.439 19627 1793 1 5 . 1 1 32 32 THR N N 32 118.682 118.682 121.640 -2.958 19627 1794 1 5 . 1 1 32 32 THR HA H 32 5.122 5.122 4.348 0.774 19627 1795 1 5 . 1 1 32 32 THR CA C 32 61.828 61.828 63.117 -1.289 19627 1796 1 5 . 1 1 32 32 THR CB C 32 70.848 70.848 68.474 2.374 19627 1797 1 5 . 1 1 33 33 PHE N N 33 123.161 123.161 127.371 -4.210 19627 1798 1 5 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.482 0.362 19627 1799 1 5 . 1 1 33 33 PHE CA C 33 57.983 57.983 59.285 -1.302 19627 1800 1 5 . 1 1 33 33 PHE CB C 33 40.905 40.905 39.619 1.286 19627 1801 1 5 . 1 1 34 34 ASN N N 34 119.699 119.699 118.225 1.474 19627 1802 1 5 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.991 0.364 19627 1803 1 5 . 1 1 34 34 ASN CA C 34 52.483 52.483 51.629 0.854 19627 1804 1 5 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.847 -0.404 19627 1805 1 5 . 1 1 35 35 ALA N N 35 128.044 128.044 121.612 6.432 19627 1806 1 5 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.185 -0.018 19627 1807 1 5 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.801 0.013 19627 1808 1 5 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.266 -0.861 19627 1809 1 5 . 1 1 36 36 ASP N N 36 116.944 116.944 112.183 4.761 19627 1810 1 5 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.694 -0.257 19627 1811 1 5 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.540 -1.145 19627 1812 1 5 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.328 -1.816 19627 1813 1 5 . 1 1 37 37 LYS N N 37 108.202 108.202 120.324 -12.122 19627 1814 1 5 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.252 -0.988 19627 1815 1 5 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.657 1.417 19627 1816 1 5 . 1 1 37 37 LYS CB C 37 27.597 27.597 32.958 -5.361 19627 1817 1 5 . 1 1 38 38 THR N N 38 107.877 107.877 108.966 -1.089 19627 1818 1 5 . 1 1 38 38 THR HA H 38 5.403 5.403 4.840 0.563 19627 1819 1 5 . 1 1 38 38 THR CA C 38 61.011 61.011 60.721 0.290 19627 1820 1 5 . 1 1 38 38 THR CB C 38 72.829 72.829 71.352 1.477 19627 1821 1 5 . 1 1 39 39 TYR N N 39 117.837 117.837 116.836 1.001 19627 1822 1 5 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.283 0.431 19627 1823 1 5 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.263 0.479 19627 1824 1 5 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.204 2.375 19627 1825 1 5 . 1 1 40 40 GLU N N 40 118.677 118.677 119.238 -0.561 19627 1826 1 5 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.089 0.164 19627 1827 1 5 . 1 1 40 40 GLU CA C 40 54.059 54.059 56.319 -2.260 19627 1828 1 5 . 1 1 40 40 GLU CB C 40 34.955 34.955 33.545 1.410 19627 1829 1 5 . 1 1 41 41 VAL N N 41 121.838 121.838 122.033 -0.195 19627 1830 1 5 . 1 1 41 41 VAL HA H 41 5.159 5.159 5.004 0.155 19627 1831 1 5 . 1 1 41 41 VAL CA C 41 59.540 59.540 60.539 -0.999 19627 1832 1 5 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.947 -0.623 19627 1833 1 5 . 1 1 42 42 TYR N N 42 126.740 126.740 119.377 7.363 19627 1834 1 5 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.684 0.131 19627 1835 1 5 . 1 1 42 42 TYR CA C 42 56.841 56.841 58.365 -1.524 19627 1836 1 5 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.908 1.385 19627 1837 1 5 . 1 1 43 43 THR N N 43 122.111 122.111 121.920 0.191 19627 1838 1 5 . 1 1 43 43 THR HA H 43 5.126 5.126 4.637 0.489 19627 1839 1 5 . 1 1 43 43 THR CA C 43 60.915 60.915 60.936 -0.021 19627 1840 1 5 . 1 1 43 43 THR CB C 43 70.667 70.667 70.192 0.475 19627 1841 1 5 . 1 1 44 44 GLY N N 44 112.123 112.123 114.764 -2.641 19627 1842 1 5 . 1 1 44 44 GLY CA C 44 45.038 45.038 44.433 0.605 19627 1843 1 5 . 1 1 45 45 SER N N 45 118.181 118.181 115.515 2.666 19627 1844 1 5 . 1 1 45 45 SER HA H 45 4.736 4.736 4.523 0.213 19627 1845 1 5 . 1 1 45 45 SER CA C 45 55.721 55.721 57.315 -1.594 19627 1846 1 5 . 1 1 45 45 SER CB C 45 64.234 64.234 64.026 0.208 19627 1847 1 5 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.610 -0.332 19627 1848 1 5 . 1 1 46 46 PRO CA C 46 64.903 64.903 63.861 1.042 19627 1849 1 5 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.110 -0.010 19627 1850 1 5 . 1 1 47 47 LEU N N 47 115.053 115.053 120.006 -4.953 19627 1851 1 5 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.410 -0.134 19627 1852 1 5 . 1 1 47 47 LEU CA C 47 54.820 54.820 55.820 -1.000 19627 1853 1 5 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.497 0.000 19627 1854 1 5 . 1 1 48 48 SER N N 48 114.930 114.930 112.537 2.393 19627 1855 1 5 . 1 1 48 48 SER HA H 48 4.418 4.418 4.502 -0.084 19627 1856 1 5 . 1 1 48 48 SER CA C 48 57.896 57.896 57.513 0.383 19627 1857 1 5 . 1 1 48 48 SER CB C 48 64.328 64.328 65.001 -0.673 19627 1858 1 5 . 1 1 49 49 ASN N N 49 121.801 121.801 121.713 0.088 19627 1859 1 5 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.808 -0.125 19627 1860 1 5 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.724 -0.477 19627 1861 1 5 . 1 1 49 49 ASN CB C 49 39.147 39.147 36.876 2.271 19627 1862 1 5 . 1 1 50 50 GLY N N 50 108.685 108.685 108.971 -0.286 19627 1863 1 5 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.535 -0.486 19627 1864 1 5 . 1 1 51 51 VAL N N 51 121.162 121.162 122.623 -1.461 19627 1865 1 5 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.435 -0.041 19627 1866 1 5 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.611 0.047 19627 1867 1 5 . 1 1 51 51 VAL CB C 51 33.484 33.484 33.030 0.454 19627 1868 1 5 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.526 0.135 19627 1869 1 5 . 1 1 52 52 PRO CA C 52 62.893 62.893 61.928 0.965 19627 1870 1 5 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.696 0.200 19627 1871 1 5 . 1 1 53 53 PHE N N 53 123.537 123.537 120.866 2.671 19627 1872 1 5 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.308 0.270 19627 1873 1 5 . 1 1 53 53 PHE CA C 53 57.762 57.762 58.334 -0.572 19627 1874 1 5 . 1 1 53 53 PHE CB C 53 40.652 40.652 39.807 0.845 19627 1875 1 5 . 1 1 54 54 ARG N N 54 124.570 124.570 122.407 2.163 19627 1876 1 5 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.796 0.098 19627 1877 1 5 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.662 -0.061 19627 1878 1 5 . 1 1 54 54 ARG CB C 54 33.401 33.401 31.281 2.120 19627 1879 1 5 . 1 1 55 55 GLY N N 55 107.998 107.998 109.518 -1.520 19627 1880 1 5 . 1 1 55 55 GLY CA C 55 45.542 45.542 44.160 1.382 19627 1881 1 5 . 1 1 56 56 THR N N 56 114.021 114.021 116.851 -2.830 19627 1882 1 5 . 1 1 56 56 THR HA H 56 5.777 5.777 4.986 0.791 19627 1883 1 5 . 1 1 56 56 THR CA C 56 60.409 60.409 61.452 -1.043 19627 1884 1 5 . 1 1 56 56 THR CB C 56 72.641 72.641 71.729 0.912 19627 1885 1 5 . 1 1 57 57 TYR N N 57 115.684 115.684 122.091 -6.407 19627 1886 1 5 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.388 0.868 19627 1887 1 5 . 1 1 57 57 TYR CA C 57 55.645 55.645 55.632 0.014 19627 1888 1 5 . 1 1 57 57 TYR CB C 57 43.352 43.352 40.452 2.900 19627 1889 1 5 . 1 1 58 58 ILE N N 58 118.048 118.048 119.067 -1.019 19627 1890 1 5 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.320 0.035 19627 1891 1 5 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.600 -0.591 19627 1892 1 5 . 1 1 58 58 ILE CB C 58 42.925 42.925 41.727 1.198 19627 1893 1 5 . 1 1 59 59 ILE N N 59 124.887 124.887 124.938 -0.051 19627 1894 1 5 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.917 0.087 19627 1895 1 5 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.781 -1.506 19627 1896 1 5 . 1 1 59 59 ILE CB C 59 40.709 40.709 41.952 -1.243 19627 1897 1 5 . 1 1 60 60 SER N N 60 122.768 122.768 120.180 2.588 19627 1898 1 5 . 1 1 60 60 SER HA H 60 4.835 4.835 4.779 0.056 19627 1899 1 5 . 1 1 60 60 SER CA C 60 55.735 55.735 57.167 -1.433 19627 1900 1 5 . 1 1 60 60 SER CB C 60 63.250 63.250 64.660 -1.410 19627 1901 1 5 . 1 1 61 61 LEU N N 61 129.303 129.303 124.739 4.564 19627 1902 1 5 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.194 -0.348 19627 1903 1 5 . 1 1 61 61 LEU CA C 61 58.659 58.659 57.619 1.040 19627 1904 1 5 . 1 1 61 61 LEU CB C 61 41.962 41.962 41.352 0.610 19627 1905 1 5 . 1 1 62 62 ASP N N 62 118.454 118.454 118.657 -0.203 19627 1906 1 5 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.558 -0.255 19627 1907 1 5 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.484 0.629 19627 1908 1 5 . 1 1 62 62 ASP CB C 62 40.178 40.178 40.679 -0.501 19627 1909 1 5 . 1 1 63 63 GLU N N 63 115.083 115.083 119.981 -4.898 19627 1910 1 5 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.251 -0.020 19627 1911 1 5 . 1 1 63 63 GLU CA C 63 55.915 55.915 55.786 0.129 19627 1912 1 5 . 1 1 63 63 GLU CB C 63 31.398 31.398 28.123 3.275 19627 1913 1 5 . 1 1 64 64 LYS N N 64 117.578 117.578 123.189 -5.611 19627 1914 1 5 . 1 1 65 65 LEU N N 65 119.527 119.527 123.315 -3.788 19627 1915 1 5 . 1 1 65 65 LEU HA H 65 5.150 5.150 5.117 0.033 19627 1916 1 5 . 1 1 65 65 LEU CA C 65 53.355 53.355 54.003 -0.648 19627 1917 1 5 . 1 1 65 65 LEU CB C 65 47.627 47.627 46.817 0.810 19627 1918 1 5 . 1 1 66 66 ILE N N 66 123.527 123.527 119.384 4.143 19627 1919 1 5 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.200 -0.197 19627 1920 1 5 . 1 1 66 66 ILE CA C 66 58.348 58.348 59.736 -1.388 19627 1921 1 5 . 1 1 66 66 ILE CB C 66 42.093 42.093 42.026 0.067 19627 1922 1 5 . 1 1 67 67 LYS N N 67 125.168 125.168 125.038 0.130 19627 1923 1 5 . 1 1 67 67 LYS HA H 67 4.407 4.407 5.309 -0.902 19627 1924 1 5 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.459 0.823 19627 1925 1 5 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.976 -0.728 19627 1926 1 5 . 1 1 68 68 LEU N N 68 123.218 123.218 119.792 3.426 19627 1927 1 5 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.817 -0.019 19627 1928 1 5 . 1 1 68 68 LEU CA C 68 54.830 54.830 54.504 0.326 19627 1929 1 5 . 1 1 68 68 LEU CB C 68 40.826 40.826 45.411 -4.585 19627 1930 1 5 . 1 1 69 69 TYR N N 69 119.751 119.751 120.575 -0.824 19627 1931 1 5 . 1 1 69 69 TYR HA H 69 5.424 5.424 4.730 0.694 19627 1932 1 5 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.649 -0.483 19627 1933 1 5 . 1 1 69 69 TYR CB C 69 42.319 42.319 41.366 0.953 19627 1934 1 5 . 1 1 70 70 ASP N N 70 120.335 120.335 124.425 -4.090 19627 1935 1 5 . 1 1 70 70 ASP HA H 70 5.042 5.042 4.508 0.534 19627 1936 1 5 . 1 1 70 70 ASP CA C 70 52.428 52.428 52.590 -0.162 19627 1937 1 5 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.166 0.043 19627 1938 1 5 . 1 1 71 71 LYS N N 71 117.975 117.975 117.664 0.311 19627 1939 1 5 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.193 0.012 19627 1940 1 5 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.392 -0.203 19627 1941 1 5 . 1 1 71 71 LYS CB C 71 32.224 32.224 32.311 -0.087 19627 1942 1 5 . 1 1 72 72 GLU N N 72 119.779 119.779 117.508 2.271 19627 1943 1 5 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.358 -0.082 19627 1944 1 5 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.166 -0.343 19627 1945 1 5 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.707 -0.068 19627 1946 1 5 . 1 1 73 73 GLU N N 73 112.572 112.572 115.059 -2.487 19627 1947 1 5 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.133 -0.527 19627 1948 1 5 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.527 0.564 19627 1949 1 5 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.075 -0.175 19627 1950 1 5 . 1 1 74 74 HIS N N 74 118.561 118.561 112.075 6.486 19627 1951 1 5 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.637 0.235 19627 1952 1 5 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.707 -0.216 19627 1953 1 5 . 1 1 74 74 HIS CB C 74 28.650 28.650 30.051 -1.401 19627 1954 1 5 . 1 1 75 75 CYS N N 75 126.459 126.459 120.942 5.517 19627 1955 1 5 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.577 0.473 19627 1956 1 5 . 1 1 75 75 CYS CA C 75 58.539 58.539 58.803 -0.264 19627 1957 1 5 . 1 1 75 75 CYS CB C 75 26.305 26.305 27.585 -1.280 19627 1958 1 5 . 1 1 76 76 THR N N 76 123.868 123.868 119.298 4.570 19627 1959 1 5 . 1 1 76 76 THR HA H 76 4.115 4.115 4.285 -0.170 19627 1960 1 5 . 1 1 76 76 THR CA C 76 62.701 62.701 64.525 -1.824 19627 1961 1 5 . 1 1 76 76 THR CB C 76 68.451 68.451 69.737 -1.287 19627 1962 1 5 . 1 1 77 77 GLU N N 77 120.185 120.185 118.925 1.260 19627 1963 1 5 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.543 -0.368 19627 1964 1 5 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.767 -1.070 19627 1965 1 5 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.877 0.223 19627 1966 1 5 . 1 1 78 78 GLN N N 78 118.401 118.401 117.602 0.799 19627 1967 1 5 . 1 1 78 78 GLN HA H 78 4.697 4.697 5.147 -0.450 19627 1968 1 5 . 1 1 78 78 GLN CA C 78 53.933 53.933 53.791 0.142 19627 1969 1 5 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.303 -0.461 19627 1970 1 5 . 1 1 79 79 TYR N N 79 116.069 116.069 117.371 -1.302 19627 1971 1 5 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.895 -0.045 19627 1972 1 5 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.455 -0.456 19627 1973 1 5 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.906 -0.093 19627 1974 1 5 . 1 1 80 80 HIS N N 80 119.747 119.747 120.329 -0.582 19627 1975 1 5 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.667 0.506 19627 1976 1 5 . 1 1 80 80 HIS CA C 80 55.121 55.121 54.844 0.277 19627 1977 1 5 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.679 -1.959 19627 1978 1 5 . 1 1 81 81 ILE N N 81 126.268 126.268 127.209 -0.941 19627 1979 1 5 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.654 0.566 19627 1980 1 5 . 1 1 81 81 ILE CA C 81 61.739 61.739 61.555 0.184 19627 1981 1 5 . 1 1 81 81 ILE CB C 81 38.354 38.354 35.974 2.380 19627 1982 1 5 . 1 1 82 82 LEU N N 82 127.552 127.552 127.550 0.002 19627 1983 1 5 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.094 -0.000 19627 1984 1 5 . 1 1 82 82 LEU CA C 82 55.392 55.392 57.187 -1.795 19627 1985 1 5 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.274 0.841 19627 1986 1 5 . 1 1 83 83 LYS N N 83 115.809 115.809 114.263 1.546 19627 1987 1 5 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.537 -0.337 19627 1988 1 5 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.788 -0.095 19627 1989 1 5 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.260 0.662 19627 1990 1 5 . 1 1 84 84 LEU N N 84 129.953 129.953 121.009 8.944 19627 1991 1 5 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.268 -0.434 19627 1992 1 5 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.821 -0.207 19627 1993 1 5 . 1 1 84 84 LEU CB C 84 43.767 43.767 46.556 -2.789 19627 1994 1 5 . 1 1 85 85 THR N N 85 119.648 119.648 112.514 7.134 19627 1995 1 5 . 1 1 85 85 THR HA H 85 4.897 4.897 5.397 -0.500 19627 1996 1 5 . 1 1 85 85 THR CA C 85 58.717 58.717 59.905 -1.188 19627 1997 1 5 . 1 1 85 85 THR CB C 85 72.356 72.356 72.103 0.253 19627 1998 1 5 . 1 1 86 86 SER N N 86 108.790 108.790 115.303 -6.513 19627 1999 1 5 . 1 1 86 86 SER HA H 86 4.165 4.165 4.241 -0.076 19627 2000 1 5 . 1 1 86 86 SER CA C 86 60.370 60.370 61.124 -0.754 19627 2001 1 5 . 1 1 86 86 SER CB C 86 63.258 63.258 62.891 0.367 19627 2002 1 5 . 1 1 87 87 LYS N N 87 116.161 116.161 114.478 1.683 19627 2003 1 5 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.352 0.162 19627 2004 1 5 . 1 1 87 87 LYS CA C 87 56.479 56.479 55.825 0.654 19627 2005 1 5 . 1 1 87 87 LYS CB C 87 36.364 36.364 33.990 2.374 19627 2006 1 5 . 1 1 88 88 GLU N N 88 119.485 119.485 119.167 0.318 19627 2007 1 5 . 1 1 88 88 GLU HA H 88 5.463 5.463 5.306 0.157 19627 2008 1 5 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.675 -0.080 19627 2009 1 5 . 1 1 88 88 GLU CB C 88 35.601 35.601 34.332 1.269 19627 2010 1 5 . 1 1 89 89 MET N N 89 122.595 122.595 121.362 1.233 19627 2011 1 5 . 1 1 89 89 MET HA H 89 4.940 4.940 4.903 0.037 19627 2012 1 5 . 1 1 89 89 MET CA C 89 53.785 53.785 54.937 -1.152 19627 2013 1 5 . 1 1 89 89 MET CB C 89 36.210 36.210 36.848 -0.638 19627 2014 1 5 . 1 1 90 90 LYS N N 90 124.449 124.449 123.292 1.157 19627 2015 1 5 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.781 0.014 19627 2016 1 5 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.777 -0.424 19627 2017 1 5 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.255 3.508 19627 2018 1 5 . 1 1 91 91 TRP N N 91 125.457 125.457 127.145 -1.688 19627 2019 1 5 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.995 0.519 19627 2020 1 5 . 1 1 91 91 TRP CA C 91 52.510 52.510 56.198 -3.688 19627 2021 1 5 . 1 1 91 91 TRP CB C 91 34.752 34.752 29.992 4.760 19627 2022 1 5 . 1 1 92 92 GLU N N 92 123.111 123.111 125.405 -2.294 19627 2023 1 5 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.321 0.554 19627 2024 1 5 . 1 1 92 92 GLU C C 92 176.109 176.109 176.944 -0.835 19627 2025 1 5 . 1 1 92 92 GLU CA C 92 53.610 53.610 56.042 -2.432 19627 2026 1 5 . 1 1 92 92 GLU CB C 92 33.384 33.384 31.656 1.728 19627 2027 1 5 . 1 1 93 93 ASN N N 93 126.757 126.757 122.801 3.956 19627 2028 1 5 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.444 -0.041 19627 2029 1 5 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.533 -1.541 19627 2030 1 5 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.684 -1.081 19627 2031 1 5 . 1 1 94 94 ALA N N 94 130.509 130.509 119.555 10.954 19627 2032 1 5 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.130 0.075 19627 2033 1 5 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.274 -2.212 19627 2034 1 5 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.031 1.979 19627 2035 1 5 . 1 1 95 95 SER N N 95 114.601 114.601 114.549 0.052 19627 2036 1 5 . 1 1 95 95 SER HA H 95 4.545 4.545 4.918 -0.373 19627 2037 1 5 . 1 1 95 95 SER CA C 95 54.544 54.544 54.806 -0.262 19627 2038 1 5 . 1 1 95 95 SER CB C 95 63.081 63.081 63.674 -0.593 19627 2039 1 5 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.572 -0.268 19627 2040 1 5 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.080 0.509 19627 2041 1 5 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.924 0.334 19627 2042 1 5 . 1 1 97 97 LYS N N 97 118.117 118.117 118.676 -0.559 19627 2043 1 5 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.170 -0.022 19627 2044 1 5 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.580 -1.133 19627 2045 1 5 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.929 0.062 19627 2046 1 5 . 1 1 98 98 ASP N N 98 119.820 119.820 117.255 2.565 19627 2047 1 5 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.569 -0.244 19627 2048 1 5 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.372 0.226 19627 2049 1 5 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.422 -0.640 19627 2050 1 5 . 1 1 99 99 GLY N N 99 107.593 107.593 108.107 -0.514 19627 2051 1 5 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.816 0.821 19627 2052 1 5 . 1 1 100 100 ASN N N 100 119.859 119.859 122.234 -2.375 19627 2053 1 5 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.901 -0.181 19627 2054 1 5 . 1 1 100 100 ASN C C 100 175.832 175.832 173.595 2.237 19627 2055 1 5 . 1 1 100 100 ASN CA C 100 53.853 53.853 51.965 1.888 19627 2056 1 5 . 1 1 100 100 ASN CB C 100 38.772 38.772 41.604 -2.832 19627 2057 1 5 . 1 1 101 101 SER N N 101 117.380 117.380 114.023 3.357 19627 2058 1 5 . 1 1 101 101 SER HA H 101 4.533 4.533 4.861 -0.328 19627 2059 1 5 . 1 1 101 101 SER C C 101 175.075 175.075 174.059 1.016 19627 2060 1 5 . 1 1 101 101 SER CA C 101 57.658 57.658 57.336 0.322 19627 2061 1 5 . 1 1 101 101 SER CB C 101 64.927 64.927 66.068 -1.141 19627 2062 1 5 . 1 1 102 102 ASP N N 102 123.193 123.193 118.783 4.410 19627 2063 1 5 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.056 -0.450 19627 2064 1 5 . 1 1 102 102 ASP C C 102 177.297 177.297 176.549 0.748 19627 2065 1 5 . 1 1 102 102 ASP CA C 102 55.558 55.558 53.213 2.345 19627 2066 1 5 . 1 1 102 102 ASP CB C 102 40.668 40.668 41.774 -1.106 19627 2067 1 5 . 1 1 103 103 LYS N N 103 117.188 117.188 119.869 -2.681 19627 2068 1 5 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.515 0.882 19627 2069 1 5 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.892 -0.331 19627 2070 1 5 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.929 6.022 19627 2071 1 5 . 1 1 104 104 ARG N N 104 122.088 122.088 119.055 3.033 19627 2072 1 5 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.818 -0.010 19627 2073 1 5 . 1 1 104 104 ARG C C 104 174.517 174.517 175.066 -0.549 19627 2074 1 5 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.771 0.913 19627 2075 1 5 . 1 1 104 104 ARG CB C 104 33.949 33.949 30.592 3.357 19627 2076 1 5 . 1 1 105 105 LEU N N 105 126.226 126.226 124.951 1.275 19627 2077 1 5 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.542 0.947 19627 2078 1 5 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.591 -0.449 19627 2079 1 5 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.303 3.549 19627 2080 1 5 . 1 1 106 106 GLU N N 106 120.408 120.408 125.374 -4.966 19627 2081 1 5 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.656 0.689 19627 2082 1 5 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.167 -0.919 19627 2083 1 5 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.555 4.997 19627 2084 1 5 . 1 1 107 107 LYS N N 107 127.864 127.864 117.866 9.998 19627 2085 1 5 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.217 0.257 19627 2086 1 5 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.445 -0.541 19627 2087 1 5 . 1 1 107 107 LYS CB C 107 32.373 32.373 31.759 0.614 19627 2088 1 5 . 1 1 108 108 TYR N N 108 127.870 127.870 121.359 6.511 19627 2089 1 5 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.574 -0.133 19627 2090 1 5 . 1 1 108 108 TYR CA C 108 57.519 57.519 56.785 0.734 19627 2091 1 5 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.787 1.336 19627 2092 1 5 . 1 1 109 109 ASN N N 109 123.534 123.534 128.039 -4.505 19627 2093 1 5 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.440 0.136 19627 2094 1 5 . 1 1 109 109 ASN CA C 109 53.020 53.020 52.391 0.629 19627 2095 1 5 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.948 2.648 19627 2096 1 6 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.894 -0.374 19627 2097 1 6 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.881 0.325 19627 2098 1 6 . 1 1 2 2 ASP CB C 2 41.225 41.225 40.992 0.233 19627 2099 1 6 . 1 1 3 3 GLU N N 3 119.869 119.869 120.259 -0.390 19627 2100 1 6 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.413 -0.214 19627 2101 1 6 . 1 1 3 3 GLU CA C 3 57.029 57.029 57.139 -0.111 19627 2102 1 6 . 1 1 3 3 GLU CB C 3 29.820 29.820 30.349 -0.529 19627 2103 1 6 . 1 1 4 4 ASP N N 4 119.650 119.650 119.404 0.246 19627 2104 1 6 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.701 -0.261 19627 2105 1 6 . 1 1 4 4 ASP CA C 4 55.118 55.118 53.800 1.318 19627 2106 1 6 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.362 -0.117 19627 2107 1 6 . 1 1 5 5 ASP N N 5 119.339 119.339 118.605 0.734 19627 2108 1 6 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.762 -0.132 19627 2109 1 6 . 1 1 5 5 ASP CA C 5 53.761 53.761 54.024 -0.263 19627 2110 1 6 . 1 1 5 5 ASP CB C 5 40.866 40.866 41.089 -0.223 19627 2111 1 6 . 1 1 6 6 LYS N N 6 121.265 121.265 118.649 2.616 19627 2112 1 6 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.576 -0.359 19627 2113 1 6 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.188 0.921 19627 2114 1 6 . 1 1 6 6 LYS CB C 6 33.916 33.916 36.257 -2.341 19627 2115 1 6 . 1 1 7 7 VAL N N 7 122.743 122.743 122.006 0.737 19627 2116 1 6 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.121 -0.070 19627 2117 1 6 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.748 -0.244 19627 2118 1 6 . 1 1 7 7 VAL CB C 7 33.738 33.738 31.926 1.812 19627 2119 1 6 . 1 1 8 8 GLU N N 8 129.254 129.254 127.993 1.261 19627 2120 1 6 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.575 0.029 19627 2121 1 6 . 1 1 8 8 GLU CA C 8 54.083 54.083 54.907 -0.824 19627 2122 1 6 . 1 1 8 8 GLU CB C 8 30.047 30.047 32.244 -2.197 19627 2123 1 6 . 1 1 9 9 ILE N N 9 123.662 123.662 123.205 0.457 19627 2124 1 6 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.159 -0.340 19627 2125 1 6 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.641 -1.215 19627 2126 1 6 . 1 1 9 9 ILE CB C 9 34.840 34.840 36.599 -1.759 19627 2127 1 6 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.355 -0.017 19627 2128 1 6 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.150 1.636 19627 2129 1 6 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.621 0.238 19627 2130 1 6 . 1 1 11 11 GLN N N 11 112.602 112.602 117.430 -4.828 19627 2131 1 6 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.353 -0.131 19627 2132 1 6 . 1 1 11 11 GLN C C 11 176.461 176.461 178.153 -1.692 19627 2133 1 6 . 1 1 11 11 GLN CA C 11 55.805 55.805 56.875 -1.070 19627 2134 1 6 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.375 -0.513 19627 2135 1 6 . 1 1 12 12 LEU N N 12 119.555 119.555 122.187 -2.632 19627 2136 1 6 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.244 -0.336 19627 2137 1 6 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.844 0.271 19627 2138 1 6 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.784 1.519 19627 2139 1 6 . 1 1 13 13 VAL N N 13 112.720 112.720 116.629 -3.909 19627 2140 1 6 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.049 -0.297 19627 2141 1 6 . 1 1 13 13 VAL CA C 13 64.717 64.717 63.496 1.221 19627 2142 1 6 . 1 1 13 13 VAL CB C 13 32.029 32.029 31.763 0.266 19627 2143 1 6 . 1 1 14 14 GLY N N 14 116.042 116.042 107.961 8.081 19627 2144 1 6 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.680 -0.929 19627 2145 1 6 . 1 1 15 15 LYS N N 15 120.788 120.788 119.221 1.567 19627 2146 1 6 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.373 0.812 19627 2147 1 6 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.638 -0.841 19627 2148 1 6 . 1 1 15 15 LYS CB C 15 35.159 35.159 33.740 1.419 19627 2149 1 6 . 1 1 16 16 TRP N N 16 123.983 123.983 121.775 2.208 19627 2150 1 6 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.718 0.197 19627 2151 1 6 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.149 -0.349 19627 2152 1 6 . 1 1 16 16 TRP CB C 16 34.179 34.179 31.950 2.229 19627 2153 1 6 . 1 1 17 17 ILE N N 17 122.229 122.229 123.563 -1.334 19627 2154 1 6 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.265 0.627 19627 2155 1 6 . 1 1 17 17 ILE CA C 17 58.782 58.782 61.138 -2.356 19627 2156 1 6 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.316 0.269 19627 2157 1 6 . 1 1 18 18 VAL N N 18 126.326 126.326 124.987 1.339 19627 2158 1 6 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.187 -0.346 19627 2159 1 6 . 1 1 18 18 VAL CA C 18 64.643 64.643 62.470 2.173 19627 2160 1 6 . 1 1 18 18 VAL CB C 18 31.568 31.568 30.636 0.932 19627 2161 1 6 . 1 1 19 19 LYS N N 19 129.061 129.061 121.742 7.319 19627 2162 1 6 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.262 0.194 19627 2163 1 6 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.126 -1.602 19627 2164 1 6 . 1 1 19 19 LYS CB C 19 33.173 33.173 31.110 2.063 19627 2165 1 6 . 1 1 20 20 GLU N N 20 118.305 118.305 119.556 -1.251 19627 2166 1 6 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.670 -0.280 19627 2167 1 6 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.714 0.404 19627 2168 1 6 . 1 1 20 20 GLU CB C 20 33.513 33.513 32.042 1.471 19627 2169 1 6 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.337 0.270 19627 2170 1 6 . 1 1 21 21 PRO CA C 21 62.630 62.630 63.090 -0.460 19627 2171 1 6 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.224 2.566 19627 2172 1 6 . 1 1 22 22 VAL N N 22 119.998 119.998 118.577 1.421 19627 2173 1 6 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.966 0.051 19627 2174 1 6 . 1 1 22 22 VAL CA C 22 62.374 62.374 62.810 -0.436 19627 2175 1 6 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.244 0.693 19627 2176 1 6 . 1 1 23 23 LEU N N 23 128.343 128.343 123.061 5.282 19627 2177 1 6 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.727 -0.280 19627 2178 1 6 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.209 -0.019 19627 2179 1 6 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.761 0.067 19627 2180 1 6 . 1 1 24 24 GLN N N 24 117.971 117.971 119.320 -1.349 19627 2181 1 6 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.209 0.051 19627 2182 1 6 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.576 0.022 19627 2183 1 6 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.183 0.921 19627 2184 1 6 . 1 1 25 25 ASP N N 25 117.501 117.501 118.672 -1.171 19627 2185 1 6 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.356 -0.150 19627 2186 1 6 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.196 0.573 19627 2187 1 6 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.398 -0.435 19627 2188 1 6 . 1 1 26 26 ASP N N 26 112.782 112.782 115.894 -3.112 19627 2189 1 6 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.167 0.168 19627 2190 1 6 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.694 -0.535 19627 2191 1 6 . 1 1 26 26 ASP CB C 26 39.737 39.737 39.021 0.716 19627 2192 1 6 . 1 1 27 27 PHE N N 27 118.623 118.623 118.232 0.391 19627 2193 1 6 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.851 -0.424 19627 2194 1 6 . 1 1 27 27 PHE CA C 27 58.011 58.011 56.966 1.045 19627 2195 1 6 . 1 1 27 27 PHE CB C 27 40.533 40.533 43.425 -2.892 19627 2196 1 6 . 1 1 28 28 VAL N N 28 119.117 119.117 113.691 5.426 19627 2197 1 6 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.582 -0.082 19627 2198 1 6 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.021 0.879 19627 2199 1 6 . 1 1 28 28 VAL CB C 28 36.175 36.175 34.542 1.633 19627 2200 1 6 . 1 1 29 29 THR N N 29 124.304 124.304 115.489 8.815 19627 2201 1 6 . 1 1 29 29 THR HA H 29 5.212 5.212 4.523 0.689 19627 2202 1 6 . 1 1 29 29 THR CA C 29 62.051 62.051 61.231 0.820 19627 2203 1 6 . 1 1 29 29 THR CB C 29 70.541 70.541 71.580 -1.039 19627 2204 1 6 . 1 1 30 30 CYS N N 30 123.969 123.969 120.898 3.071 19627 2205 1 6 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.386 0.195 19627 2206 1 6 . 1 1 30 30 CYS CA C 30 56.066 56.066 57.689 -1.623 19627 2207 1 6 . 1 1 30 30 CYS CB C 30 31.010 31.010 31.042 -0.032 19627 2208 1 6 . 1 1 31 31 TYR N N 31 125.131 125.131 123.294 1.837 19627 2209 1 6 . 1 1 31 31 TYR HA H 31 5.165 5.165 5.035 0.130 19627 2210 1 6 . 1 1 31 31 TYR CA C 31 57.270 57.270 56.913 0.357 19627 2211 1 6 . 1 1 31 31 TYR CB C 31 43.631 43.631 40.901 2.730 19627 2212 1 6 . 1 1 32 32 THR N N 32 118.682 118.682 120.627 -1.945 19627 2213 1 6 . 1 1 32 32 THR HA H 32 5.122 5.122 4.698 0.424 19627 2214 1 6 . 1 1 32 32 THR CA C 32 61.828 61.828 61.239 0.589 19627 2215 1 6 . 1 1 32 32 THR CB C 32 70.848 70.848 69.764 1.084 19627 2216 1 6 . 1 1 33 33 PHE N N 33 123.161 123.161 126.226 -3.065 19627 2217 1 6 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.761 0.083 19627 2218 1 6 . 1 1 33 33 PHE CA C 33 57.983 57.983 57.646 0.337 19627 2219 1 6 . 1 1 33 33 PHE CB C 33 40.905 40.905 40.321 0.584 19627 2220 1 6 . 1 1 34 34 ASN N N 34 119.699 119.699 117.195 2.504 19627 2221 1 6 . 1 1 34 34 ASN HA H 34 5.355 5.355 5.073 0.282 19627 2222 1 6 . 1 1 34 34 ASN CA C 34 52.483 52.483 51.570 0.913 19627 2223 1 6 . 1 1 34 34 ASN CB C 34 41.443 41.443 42.353 -0.910 19627 2224 1 6 . 1 1 35 35 ALA N N 35 128.044 128.044 122.357 5.687 19627 2225 1 6 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.301 -0.134 19627 2226 1 6 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.355 0.459 19627 2227 1 6 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.024 -0.619 19627 2228 1 6 . 1 1 36 36 ASP N N 36 116.944 116.944 113.784 3.160 19627 2229 1 6 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.872 -0.435 19627 2230 1 6 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.419 -1.024 19627 2231 1 6 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.496 -1.984 19627 2232 1 6 . 1 1 37 37 LYS N N 37 108.202 108.202 119.235 -11.033 19627 2233 1 6 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.169 -0.905 19627 2234 1 6 . 1 1 37 37 LYS CA C 37 59.074 59.074 58.193 0.881 19627 2235 1 6 . 1 1 37 37 LYS CB C 37 27.597 27.597 32.997 -5.400 19627 2236 1 6 . 1 1 38 38 THR N N 38 107.877 107.877 108.147 -0.270 19627 2237 1 6 . 1 1 38 38 THR HA H 38 5.403 5.403 4.445 0.958 19627 2238 1 6 . 1 1 38 38 THR CA C 38 61.011 61.011 60.818 0.193 19627 2239 1 6 . 1 1 38 38 THR CB C 38 72.829 72.829 69.773 3.056 19627 2240 1 6 . 1 1 39 39 TYR N N 39 117.837 117.837 118.685 -0.848 19627 2241 1 6 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.356 0.358 19627 2242 1 6 . 1 1 39 39 TYR CA C 39 55.742 55.742 54.818 0.924 19627 2243 1 6 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.237 2.342 19627 2244 1 6 . 1 1 40 40 GLU N N 40 118.677 118.677 118.590 0.087 19627 2245 1 6 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.074 0.179 19627 2246 1 6 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.950 -0.891 19627 2247 1 6 . 1 1 40 40 GLU CB C 40 34.955 34.955 33.932 1.023 19627 2248 1 6 . 1 1 41 41 VAL N N 41 121.838 121.838 122.149 -0.311 19627 2249 1 6 . 1 1 41 41 VAL HA H 41 5.159 5.159 5.157 0.002 19627 2250 1 6 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.288 0.252 19627 2251 1 6 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.664 -0.340 19627 2252 1 6 . 1 1 42 42 TYR N N 42 126.740 126.740 118.663 8.077 19627 2253 1 6 . 1 1 42 42 TYR HA H 42 4.815 4.815 5.000 -0.185 19627 2254 1 6 . 1 1 42 42 TYR CA C 42 56.841 56.841 56.512 0.329 19627 2255 1 6 . 1 1 42 42 TYR CB C 42 42.293 42.293 39.398 2.896 19627 2256 1 6 . 1 1 43 43 THR N N 43 122.111 122.111 115.906 6.205 19627 2257 1 6 . 1 1 43 43 THR HA H 43 5.126 5.126 5.072 0.054 19627 2258 1 6 . 1 1 43 43 THR CA C 43 60.915 60.915 60.885 0.030 19627 2259 1 6 . 1 1 43 43 THR CB C 43 70.667 70.667 71.737 -1.070 19627 2260 1 6 . 1 1 44 44 GLY N N 44 112.123 112.123 112.030 0.093 19627 2261 1 6 . 1 1 44 44 GLY CA C 44 45.038 45.038 44.881 0.157 19627 2262 1 6 . 1 1 45 45 SER N N 45 118.181 118.181 113.888 4.293 19627 2263 1 6 . 1 1 45 45 SER HA H 45 4.736 4.736 4.377 0.359 19627 2264 1 6 . 1 1 45 45 SER CA C 45 55.721 55.721 58.485 -2.764 19627 2265 1 6 . 1 1 45 45 SER CB C 45 64.234 64.234 63.243 0.991 19627 2266 1 6 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.434 -0.156 19627 2267 1 6 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.520 0.383 19627 2268 1 6 . 1 1 46 46 PRO CB C 46 32.100 32.100 31.920 0.180 19627 2269 1 6 . 1 1 47 47 LEU N N 47 115.053 115.053 117.088 -2.035 19627 2270 1 6 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.372 -0.096 19627 2271 1 6 . 1 1 47 47 LEU CA C 47 54.820 54.820 56.310 -1.490 19627 2272 1 6 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.659 -0.162 19627 2273 1 6 . 1 1 48 48 SER N N 48 114.930 114.930 110.581 4.349 19627 2274 1 6 . 1 1 48 48 SER HA H 48 4.418 4.418 4.589 -0.171 19627 2275 1 6 . 1 1 48 48 SER CA C 48 57.896 57.896 57.141 0.756 19627 2276 1 6 . 1 1 48 48 SER CB C 48 64.328 64.328 65.052 -0.724 19627 2277 1 6 . 1 1 49 49 ASN N N 49 121.801 121.801 120.878 0.923 19627 2278 1 6 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.203 0.480 19627 2279 1 6 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.569 -0.322 19627 2280 1 6 . 1 1 49 49 ASN CB C 49 39.147 39.147 37.657 1.490 19627 2281 1 6 . 1 1 50 50 GLY N N 50 108.685 108.685 112.851 -4.166 19627 2282 1 6 . 1 1 50 50 GLY CA C 50 45.049 45.049 46.773 -1.724 19627 2283 1 6 . 1 1 51 51 VAL N N 51 121.162 121.162 119.638 1.524 19627 2284 1 6 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.328 0.066 19627 2285 1 6 . 1 1 51 51 VAL CA C 51 59.658 59.658 60.107 -0.449 19627 2286 1 6 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.663 0.821 19627 2287 1 6 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.643 0.018 19627 2288 1 6 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.152 0.741 19627 2289 1 6 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.602 0.294 19627 2290 1 6 . 1 1 53 53 PHE N N 53 123.537 123.537 122.091 1.446 19627 2291 1 6 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.664 -0.086 19627 2292 1 6 . 1 1 53 53 PHE CA C 53 57.762 57.762 56.679 1.083 19627 2293 1 6 . 1 1 53 53 PHE CB C 53 40.652 40.652 41.689 -1.037 19627 2294 1 6 . 1 1 54 54 ARG N N 54 124.570 124.570 125.283 -0.713 19627 2295 1 6 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.851 0.043 19627 2296 1 6 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.030 0.571 19627 2297 1 6 . 1 1 54 54 ARG CB C 54 33.401 33.401 33.699 -0.298 19627 2298 1 6 . 1 1 55 55 GLY N N 55 107.998 107.998 109.950 -1.952 19627 2299 1 6 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.266 0.276 19627 2300 1 6 . 1 1 56 56 THR N N 56 114.021 114.021 113.380 0.641 19627 2301 1 6 . 1 1 56 56 THR HA H 56 5.777 5.777 4.908 0.869 19627 2302 1 6 . 1 1 56 56 THR CA C 56 60.409 60.409 60.754 -0.345 19627 2303 1 6 . 1 1 56 56 THR CB C 56 72.641 72.641 71.552 1.089 19627 2304 1 6 . 1 1 57 57 TYR N N 57 115.684 115.684 118.473 -2.789 19627 2305 1 6 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.613 0.643 19627 2306 1 6 . 1 1 57 57 TYR CA C 57 55.645 55.645 55.287 0.358 19627 2307 1 6 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.376 1.976 19627 2308 1 6 . 1 1 58 58 ILE N N 58 118.048 118.048 119.678 -1.630 19627 2309 1 6 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.534 -0.179 19627 2310 1 6 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.232 -0.223 19627 2311 1 6 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.013 0.912 19627 2312 1 6 . 1 1 59 59 ILE N N 59 124.887 124.887 125.009 -0.122 19627 2313 1 6 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.519 0.485 19627 2314 1 6 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.516 -1.241 19627 2315 1 6 . 1 1 59 59 ILE CB C 59 40.709 40.709 38.894 1.815 19627 2316 1 6 . 1 1 60 60 SER N N 60 122.768 122.768 121.229 1.539 19627 2317 1 6 . 1 1 60 60 SER HA H 60 4.835 4.835 4.721 0.114 19627 2318 1 6 . 1 1 60 60 SER CA C 60 55.735 55.735 56.959 -1.224 19627 2319 1 6 . 1 1 60 60 SER CB C 60 63.250 63.250 64.614 -1.364 19627 2320 1 6 . 1 1 61 61 LEU N N 61 129.303 129.303 125.222 4.081 19627 2321 1 6 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.088 -0.242 19627 2322 1 6 . 1 1 61 61 LEU CA C 61 58.659 58.659 58.336 0.323 19627 2323 1 6 . 1 1 61 61 LEU CB C 61 41.962 41.962 41.801 0.161 19627 2324 1 6 . 1 1 62 62 ASP N N 62 118.454 118.454 117.192 1.262 19627 2325 1 6 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.537 -0.234 19627 2326 1 6 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.157 0.957 19627 2327 1 6 . 1 1 62 62 ASP CB C 62 40.178 40.178 40.714 -0.536 19627 2328 1 6 . 1 1 63 63 GLU N N 63 115.083 115.083 115.729 -0.646 19627 2329 1 6 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.371 -0.140 19627 2330 1 6 . 1 1 63 63 GLU CA C 63 55.915 55.915 55.462 0.454 19627 2331 1 6 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.440 1.958 19627 2332 1 6 . 1 1 64 64 LYS N N 64 117.578 117.578 118.734 -1.156 19627 2333 1 6 . 1 1 65 65 LEU N N 65 119.527 119.527 117.928 1.599 19627 2334 1 6 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.562 0.588 19627 2335 1 6 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.418 -0.063 19627 2336 1 6 . 1 1 65 65 LEU CB C 65 47.627 47.627 46.773 0.855 19627 2337 1 6 . 1 1 66 66 ILE N N 66 123.527 123.527 119.641 3.886 19627 2338 1 6 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.013 -0.010 19627 2339 1 6 . 1 1 66 66 ILE CA C 66 58.348 58.348 58.943 -0.595 19627 2340 1 6 . 1 1 66 66 ILE CB C 66 42.093 42.093 41.463 0.630 19627 2341 1 6 . 1 1 67 67 LYS N N 67 125.168 125.168 124.836 0.332 19627 2342 1 6 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.912 -0.505 19627 2343 1 6 . 1 1 67 67 LYS CA C 67 55.282 55.282 53.902 1.380 19627 2344 1 6 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.571 -0.323 19627 2345 1 6 . 1 1 68 68 LEU N N 68 123.218 123.218 119.571 3.647 19627 2346 1 6 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.910 -0.112 19627 2347 1 6 . 1 1 68 68 LEU CA C 68 54.830 54.830 54.379 0.451 19627 2348 1 6 . 1 1 68 68 LEU CB C 68 40.826 40.826 45.413 -4.587 19627 2349 1 6 . 1 1 69 69 TYR N N 69 119.751 119.751 121.226 -1.475 19627 2350 1 6 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.622 -0.198 19627 2351 1 6 . 1 1 69 69 TYR CA C 69 57.166 57.166 56.356 0.810 19627 2352 1 6 . 1 1 69 69 TYR CB C 69 42.319 42.319 42.297 0.022 19627 2353 1 6 . 1 1 70 70 ASP N N 70 120.335 120.335 122.757 -2.422 19627 2354 1 6 . 1 1 70 70 ASP HA H 70 5.042 5.042 4.786 0.256 19627 2355 1 6 . 1 1 70 70 ASP CA C 70 52.428 52.428 52.399 0.029 19627 2356 1 6 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.946 -0.736 19627 2357 1 6 . 1 1 71 71 LYS N N 71 117.975 117.975 116.698 1.277 19627 2358 1 6 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.142 0.063 19627 2359 1 6 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.586 -0.397 19627 2360 1 6 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.820 0.404 19627 2361 1 6 . 1 1 72 72 GLU N N 72 119.779 119.779 119.197 0.582 19627 2362 1 6 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.283 -0.007 19627 2363 1 6 . 1 1 72 72 GLU CA C 72 55.823 55.823 57.021 -1.198 19627 2364 1 6 . 1 1 72 72 GLU CB C 72 29.639 29.639 30.078 -0.439 19627 2365 1 6 . 1 1 73 73 GLU N N 73 112.572 112.572 113.105 -0.533 19627 2366 1 6 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.157 -0.551 19627 2367 1 6 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.567 0.524 19627 2368 1 6 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.692 -0.792 19627 2369 1 6 . 1 1 74 74 HIS N N 74 118.561 118.561 116.901 1.660 19627 2370 1 6 . 1 1 74 74 HIS HA H 74 4.872 4.872 5.008 -0.136 19627 2371 1 6 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.539 -0.048 19627 2372 1 6 . 1 1 74 74 HIS CB C 74 28.650 28.650 31.436 -2.786 19627 2373 1 6 . 1 1 75 75 CYS N N 75 126.459 126.459 119.028 7.431 19627 2374 1 6 . 1 1 75 75 CYS HA H 75 4.050 4.050 4.512 -0.462 19627 2375 1 6 . 1 1 75 75 CYS CA C 75 58.539 58.539 57.242 1.297 19627 2376 1 6 . 1 1 75 75 CYS CB C 75 26.305 26.305 29.407 -3.102 19627 2377 1 6 . 1 1 76 76 THR N N 76 123.868 123.868 117.206 6.662 19627 2378 1 6 . 1 1 76 76 THR HA H 76 4.115 4.115 4.246 -0.131 19627 2379 1 6 . 1 1 76 76 THR CA C 76 62.701 62.701 62.501 0.200 19627 2380 1 6 . 1 1 76 76 THR CB C 76 68.451 68.451 69.430 -0.979 19627 2381 1 6 . 1 1 77 77 GLU N N 77 120.185 120.185 121.115 -0.930 19627 2382 1 6 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.625 -0.450 19627 2383 1 6 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.251 -0.554 19627 2384 1 6 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.068 1.032 19627 2385 1 6 . 1 1 78 78 GLN N N 78 118.401 118.401 120.934 -2.533 19627 2386 1 6 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.713 -0.016 19627 2387 1 6 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.340 -0.407 19627 2388 1 6 . 1 1 78 78 GLN CB C 78 31.842 31.842 30.092 1.750 19627 2389 1 6 . 1 1 79 79 TYR N N 79 116.069 116.069 118.568 -2.499 19627 2390 1 6 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.993 -0.143 19627 2391 1 6 . 1 1 79 79 TYR CA C 79 55.999 55.999 53.911 2.088 19627 2392 1 6 . 1 1 79 79 TYR CB C 79 41.813 41.813 40.426 1.387 19627 2393 1 6 . 1 1 80 80 HIS N N 80 119.747 119.747 119.822 -0.075 19627 2394 1 6 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.593 0.580 19627 2395 1 6 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.993 -0.872 19627 2396 1 6 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.282 -1.562 19627 2397 1 6 . 1 1 81 81 ILE N N 81 126.268 126.268 127.231 -0.963 19627 2398 1 6 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.430 0.790 19627 2399 1 6 . 1 1 81 81 ILE CA C 81 61.739 61.739 62.581 -0.842 19627 2400 1 6 . 1 1 81 81 ILE CB C 81 38.354 38.354 36.069 2.285 19627 2401 1 6 . 1 1 82 82 LEU N N 82 127.552 127.552 128.914 -1.362 19627 2402 1 6 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.158 -0.064 19627 2403 1 6 . 1 1 82 82 LEU CA C 82 55.392 55.392 57.259 -1.867 19627 2404 1 6 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.343 0.772 19627 2405 1 6 . 1 1 83 83 LYS N N 83 115.809 115.809 114.471 1.338 19627 2406 1 6 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.630 -0.430 19627 2407 1 6 . 1 1 83 83 LYS CA C 83 55.693 55.693 54.438 1.254 19627 2408 1 6 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.988 -0.066 19627 2409 1 6 . 1 1 84 84 LEU N N 84 129.953 129.953 120.906 9.047 19627 2410 1 6 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.389 -0.555 19627 2411 1 6 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.899 -0.285 19627 2412 1 6 . 1 1 84 84 LEU CB C 84 43.767 43.767 46.083 -2.316 19627 2413 1 6 . 1 1 85 85 THR N N 85 119.648 119.648 113.972 5.676 19627 2414 1 6 . 1 1 85 85 THR HA H 85 4.897 4.897 5.115 -0.218 19627 2415 1 6 . 1 1 85 85 THR CA C 85 58.717 58.717 60.328 -1.611 19627 2416 1 6 . 1 1 85 85 THR CB C 85 72.356 72.356 71.555 0.801 19627 2417 1 6 . 1 1 86 86 SER N N 86 108.790 108.790 115.284 -6.494 19627 2418 1 6 . 1 1 86 86 SER HA H 86 4.165 4.165 4.524 -0.359 19627 2419 1 6 . 1 1 86 86 SER CA C 86 60.370 60.370 61.024 -0.654 19627 2420 1 6 . 1 1 86 86 SER CB C 86 63.258 63.258 63.288 -0.030 19627 2421 1 6 . 1 1 87 87 LYS N N 87 116.161 116.161 115.144 1.017 19627 2422 1 6 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.405 0.109 19627 2423 1 6 . 1 1 87 87 LYS CA C 87 56.479 56.479 55.963 0.516 19627 2424 1 6 . 1 1 87 87 LYS CB C 87 36.364 36.364 33.495 2.869 19627 2425 1 6 . 1 1 88 88 GLU N N 88 119.485 119.485 120.692 -1.207 19627 2426 1 6 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.735 0.728 19627 2427 1 6 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.949 -0.354 19627 2428 1 6 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.949 1.652 19627 2429 1 6 . 1 1 89 89 MET N N 89 122.595 122.595 126.580 -3.985 19627 2430 1 6 . 1 1 89 89 MET HA H 89 4.940 4.940 4.832 0.108 19627 2431 1 6 . 1 1 89 89 MET CA C 89 53.785 53.785 54.658 -0.873 19627 2432 1 6 . 1 1 89 89 MET CB C 89 36.210 36.210 35.616 0.594 19627 2433 1 6 . 1 1 90 90 LYS N N 90 124.449 124.449 128.243 -3.794 19627 2434 1 6 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.804 -0.009 19627 2435 1 6 . 1 1 90 90 LYS CA C 90 55.353 55.353 54.885 0.468 19627 2436 1 6 . 1 1 90 90 LYS CB C 90 36.763 36.763 32.931 3.832 19627 2437 1 6 . 1 1 91 91 TRP N N 91 125.457 125.457 126.449 -0.992 19627 2438 1 6 . 1 1 91 91 TRP HA H 91 5.514 5.514 5.001 0.513 19627 2439 1 6 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.788 -3.278 19627 2440 1 6 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.100 4.652 19627 2441 1 6 . 1 1 92 92 GLU N N 92 123.111 123.111 126.452 -3.341 19627 2442 1 6 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.426 0.449 19627 2443 1 6 . 1 1 92 92 GLU C C 92 176.109 176.109 177.191 -1.082 19627 2444 1 6 . 1 1 92 92 GLU CA C 92 53.610 53.610 55.099 -1.489 19627 2445 1 6 . 1 1 92 92 GLU CB C 92 33.384 33.384 33.061 0.323 19627 2446 1 6 . 1 1 93 93 ASN N N 93 126.757 126.757 123.922 2.835 19627 2447 1 6 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.434 -0.031 19627 2448 1 6 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.648 -1.656 19627 2449 1 6 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.653 -1.050 19627 2450 1 6 . 1 1 94 94 ALA N N 94 130.509 130.509 122.077 8.432 19627 2451 1 6 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.193 0.012 19627 2452 1 6 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.303 -2.241 19627 2453 1 6 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.227 1.783 19627 2454 1 6 . 1 1 95 95 SER N N 95 114.601 114.601 114.733 -0.132 19627 2455 1 6 . 1 1 95 95 SER HA H 95 4.545 4.545 4.833 -0.288 19627 2456 1 6 . 1 1 95 95 SER CA C 95 54.544 54.544 55.215 -0.671 19627 2457 1 6 . 1 1 95 95 SER CB C 95 63.081 63.081 63.886 -0.805 19627 2458 1 6 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.316 -0.012 19627 2459 1 6 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.428 0.161 19627 2460 1 6 . 1 1 96 96 PRO CB C 96 32.258 32.258 32.029 0.229 19627 2461 1 6 . 1 1 97 97 LYS N N 97 118.117 118.117 117.682 0.435 19627 2462 1 6 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.079 0.069 19627 2463 1 6 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.746 -1.300 19627 2464 1 6 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.328 0.663 19627 2465 1 6 . 1 1 98 98 ASP N N 98 119.820 119.820 118.035 1.785 19627 2466 1 6 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.691 -0.366 19627 2467 1 6 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.140 0.458 19627 2468 1 6 . 1 1 98 98 ASP CB C 98 40.782 40.782 42.281 -1.499 19627 2469 1 6 . 1 1 99 99 GLY N N 99 107.593 107.593 108.515 -0.922 19627 2470 1 6 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.852 0.784 19627 2471 1 6 . 1 1 100 100 ASN N N 100 119.859 119.859 121.004 -1.145 19627 2472 1 6 . 1 1 100 100 ASN HA H 100 4.720 4.720 5.077 -0.357 19627 2473 1 6 . 1 1 100 100 ASN C C 100 175.832 175.832 173.856 1.976 19627 2474 1 6 . 1 1 100 100 ASN CA C 100 53.853 53.853 52.481 1.372 19627 2475 1 6 . 1 1 100 100 ASN CB C 100 38.772 38.772 42.184 -3.412 19627 2476 1 6 . 1 1 101 101 SER N N 101 117.380 117.380 116.387 0.993 19627 2477 1 6 . 1 1 101 101 SER HA H 101 4.533 4.533 4.793 -0.260 19627 2478 1 6 . 1 1 101 101 SER C C 101 175.075 175.075 173.759 1.316 19627 2479 1 6 . 1 1 101 101 SER CA C 101 57.658 57.658 57.573 0.085 19627 2480 1 6 . 1 1 101 101 SER CB C 101 64.927 64.927 64.737 0.190 19627 2481 1 6 . 1 1 102 102 ASP N N 102 123.193 123.193 125.209 -2.016 19627 2482 1 6 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.195 -0.589 19627 2483 1 6 . 1 1 102 102 ASP C C 102 177.297 177.297 176.288 1.009 19627 2484 1 6 . 1 1 102 102 ASP CA C 102 55.558 55.558 52.203 3.354 19627 2485 1 6 . 1 1 102 102 ASP CB C 102 40.668 40.668 39.726 0.942 19627 2486 1 6 . 1 1 103 103 LYS N N 103 117.188 117.188 118.927 -1.739 19627 2487 1 6 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.384 1.013 19627 2488 1 6 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.498 0.062 19627 2489 1 6 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.497 6.454 19627 2490 1 6 . 1 1 104 104 ARG N N 104 122.088 122.088 118.534 3.554 19627 2491 1 6 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.902 -0.094 19627 2492 1 6 . 1 1 104 104 ARG C C 104 174.517 174.517 175.549 -1.032 19627 2493 1 6 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.802 0.882 19627 2494 1 6 . 1 1 104 104 ARG CB C 104 33.949 33.949 30.816 3.133 19627 2495 1 6 . 1 1 105 105 LEU N N 105 126.226 126.226 125.624 0.602 19627 2496 1 6 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.565 0.924 19627 2497 1 6 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.128 0.014 19627 2498 1 6 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.345 3.507 19627 2499 1 6 . 1 1 106 106 GLU N N 106 120.408 120.408 121.236 -0.828 19627 2500 1 6 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.760 0.585 19627 2501 1 6 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.248 -1.000 19627 2502 1 6 . 1 1 106 106 GLU CB C 106 34.552 34.552 30.113 4.439 19627 2503 1 6 . 1 1 107 107 LYS N N 107 127.864 127.864 117.103 10.761 19627 2504 1 6 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.448 0.026 19627 2505 1 6 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.325 -0.421 19627 2506 1 6 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.187 0.186 19627 2507 1 6 . 1 1 108 108 TYR N N 108 127.870 127.870 122.632 5.238 19627 2508 1 6 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.479 -0.038 19627 2509 1 6 . 1 1 108 108 TYR CA C 108 57.519 57.519 57.767 -0.248 19627 2510 1 6 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.140 1.983 19627 2511 1 6 . 1 1 109 109 ASN N N 109 123.534 123.534 124.297 -0.763 19627 2512 1 6 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.601 -0.025 19627 2513 1 6 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.972 -0.952 19627 2514 1 6 . 1 1 109 109 ASN CB C 109 40.596 40.596 38.679 1.917 19627 2515 1 7 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.606 -0.086 19627 2516 1 7 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.736 0.470 19627 2517 1 7 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.541 -0.316 19627 2518 1 7 . 1 1 3 3 GLU N N 3 119.869 119.869 119.802 0.067 19627 2519 1 7 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.436 -0.237 19627 2520 1 7 . 1 1 3 3 GLU CA C 3 57.029 57.029 57.072 -0.043 19627 2521 1 7 . 1 1 3 3 GLU CB C 3 29.820 29.820 29.623 0.197 19627 2522 1 7 . 1 1 4 4 ASP N N 4 119.650 119.650 122.786 -3.136 19627 2523 1 7 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.826 -0.386 19627 2524 1 7 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.746 0.372 19627 2525 1 7 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.760 -0.515 19627 2526 1 7 . 1 1 5 5 ASP N N 5 119.339 119.339 118.799 0.540 19627 2527 1 7 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.782 -0.152 19627 2528 1 7 . 1 1 5 5 ASP CA C 5 53.761 53.761 54.480 -0.719 19627 2529 1 7 . 1 1 5 5 ASP CB C 5 40.866 40.866 41.694 -0.828 19627 2530 1 7 . 1 1 6 6 LYS N N 6 121.265 121.265 120.687 0.578 19627 2531 1 7 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.588 -0.371 19627 2532 1 7 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.134 0.975 19627 2533 1 7 . 1 1 6 6 LYS CB C 6 33.916 33.916 33.753 0.163 19627 2534 1 7 . 1 1 7 7 VAL N N 7 122.743 122.743 125.599 -2.856 19627 2535 1 7 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.130 -0.079 19627 2536 1 7 . 1 1 7 7 VAL CA C 7 62.504 62.504 63.057 -0.553 19627 2537 1 7 . 1 1 7 7 VAL CB C 7 33.738 33.738 31.883 1.855 19627 2538 1 7 . 1 1 8 8 GLU N N 8 129.254 129.254 128.730 0.524 19627 2539 1 7 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.581 0.023 19627 2540 1 7 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.108 -1.025 19627 2541 1 7 . 1 1 8 8 GLU CB C 8 30.047 30.047 32.331 -2.284 19627 2542 1 7 . 1 1 9 9 ILE N N 9 123.662 123.662 122.926 0.736 19627 2543 1 7 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.117 -0.298 19627 2544 1 7 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.505 -1.079 19627 2545 1 7 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.615 -0.775 19627 2546 1 7 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.313 0.025 19627 2547 1 7 . 1 1 10 10 PRO CA C 10 65.786 65.786 65.375 0.411 19627 2548 1 7 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.217 0.642 19627 2549 1 7 . 1 1 11 11 GLN N N 11 112.602 112.602 118.297 -5.695 19627 2550 1 7 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.254 -0.032 19627 2551 1 7 . 1 1 11 11 GLN C C 11 176.461 176.461 178.265 -1.804 19627 2552 1 7 . 1 1 11 11 GLN CA C 11 55.805 55.805 57.835 -2.030 19627 2553 1 7 . 1 1 11 11 GLN CB C 11 27.861 27.861 27.665 0.196 19627 2554 1 7 . 1 1 12 12 LEU N N 12 119.555 119.555 122.251 -2.696 19627 2555 1 7 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.088 -0.180 19627 2556 1 7 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.783 0.332 19627 2557 1 7 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.961 1.342 19627 2558 1 7 . 1 1 13 13 VAL N N 13 112.720 112.720 116.236 -3.516 19627 2559 1 7 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.929 -0.177 19627 2560 1 7 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.005 0.712 19627 2561 1 7 . 1 1 13 13 VAL CB C 13 32.029 32.029 31.352 0.677 19627 2562 1 7 . 1 1 14 14 GLY N N 14 116.042 116.042 108.117 7.925 19627 2563 1 7 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.806 -1.055 19627 2564 1 7 . 1 1 15 15 LYS N N 15 120.788 120.788 118.762 2.026 19627 2565 1 7 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.612 0.573 19627 2566 1 7 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.566 -0.768 19627 2567 1 7 . 1 1 15 15 LYS CB C 15 35.159 35.159 33.832 1.327 19627 2568 1 7 . 1 1 16 16 TRP N N 16 123.983 123.983 120.777 3.206 19627 2569 1 7 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.849 0.066 19627 2570 1 7 . 1 1 16 16 TRP CA C 16 55.800 55.800 57.012 -1.212 19627 2571 1 7 . 1 1 16 16 TRP CB C 16 34.179 34.179 32.538 1.641 19627 2572 1 7 . 1 1 17 17 ILE N N 17 122.229 122.229 121.520 0.709 19627 2573 1 7 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.691 0.201 19627 2574 1 7 . 1 1 17 17 ILE CA C 17 58.782 58.782 59.329 -0.547 19627 2575 1 7 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.978 -0.394 19627 2576 1 7 . 1 1 18 18 VAL N N 18 126.326 126.326 126.601 -0.275 19627 2577 1 7 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.150 -0.309 19627 2578 1 7 . 1 1 18 18 VAL CA C 18 64.643 64.643 63.043 1.600 19627 2579 1 7 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.402 0.166 19627 2580 1 7 . 1 1 19 19 LYS N N 19 129.061 129.061 121.417 7.644 19627 2581 1 7 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.206 0.250 19627 2582 1 7 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.671 -2.147 19627 2583 1 7 . 1 1 19 19 LYS CB C 19 33.173 33.173 31.650 1.523 19627 2584 1 7 . 1 1 20 20 GLU N N 20 118.305 118.305 119.057 -0.752 19627 2585 1 7 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.645 -0.255 19627 2586 1 7 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.597 0.520 19627 2587 1 7 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.872 1.641 19627 2588 1 7 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.408 0.199 19627 2589 1 7 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.696 -0.066 19627 2590 1 7 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.382 2.408 19627 2591 1 7 . 1 1 22 22 VAL N N 22 119.998 119.998 119.592 0.406 19627 2592 1 7 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.868 0.149 19627 2593 1 7 . 1 1 22 22 VAL CA C 22 62.374 62.374 62.983 -0.609 19627 2594 1 7 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.198 0.739 19627 2595 1 7 . 1 1 23 23 LEU N N 23 128.343 128.343 127.229 1.114 19627 2596 1 7 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.489 -0.042 19627 2597 1 7 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.127 0.063 19627 2598 1 7 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.583 0.245 19627 2599 1 7 . 1 1 24 24 GLN N N 24 117.971 117.971 119.397 -1.426 19627 2600 1 7 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.145 0.115 19627 2601 1 7 . 1 1 24 24 GLN CA C 24 55.598 55.598 57.421 -1.823 19627 2602 1 7 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.517 0.587 19627 2603 1 7 . 1 1 25 25 ASP N N 25 117.501 117.501 119.751 -2.250 19627 2604 1 7 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.239 -0.033 19627 2605 1 7 . 1 1 25 25 ASP CA C 25 55.769 55.769 56.808 -1.039 19627 2606 1 7 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.441 -0.479 19627 2607 1 7 . 1 1 26 26 ASP N N 26 112.782 112.782 116.893 -4.111 19627 2608 1 7 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.538 -0.203 19627 2609 1 7 . 1 1 26 26 ASP CA C 26 55.159 55.159 53.696 1.464 19627 2610 1 7 . 1 1 26 26 ASP CB C 26 39.737 39.737 40.801 -1.064 19627 2611 1 7 . 1 1 27 27 PHE N N 27 118.623 118.623 122.736 -4.113 19627 2612 1 7 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.352 0.075 19627 2613 1 7 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.887 -1.876 19627 2614 1 7 . 1 1 27 27 PHE CB C 27 40.533 40.533 39.397 1.137 19627 2615 1 7 . 1 1 28 28 VAL N N 28 119.117 119.117 117.364 1.753 19627 2616 1 7 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.609 -0.109 19627 2617 1 7 . 1 1 28 28 VAL CA C 28 60.900 60.900 59.603 1.297 19627 2618 1 7 . 1 1 28 28 VAL CB C 28 36.175 36.175 35.789 0.386 19627 2619 1 7 . 1 1 29 29 THR N N 29 124.304 124.304 116.780 7.524 19627 2620 1 7 . 1 1 29 29 THR HA H 29 5.212 5.212 4.685 0.527 19627 2621 1 7 . 1 1 29 29 THR CA C 29 62.051 62.051 61.676 0.375 19627 2622 1 7 . 1 1 29 29 THR CB C 29 70.541 70.541 71.840 -1.299 19627 2623 1 7 . 1 1 30 30 CYS N N 30 123.969 123.969 122.341 1.628 19627 2624 1 7 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.170 0.411 19627 2625 1 7 . 1 1 30 30 CYS CA C 30 56.066 56.066 58.125 -2.059 19627 2626 1 7 . 1 1 30 30 CYS CB C 30 31.010 31.010 28.465 2.545 19627 2627 1 7 . 1 1 31 31 TYR N N 31 125.131 125.131 122.498 2.633 19627 2628 1 7 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.557 0.608 19627 2629 1 7 . 1 1 31 31 TYR CA C 31 57.270 57.270 59.750 -2.480 19627 2630 1 7 . 1 1 31 31 TYR CB C 31 43.631 43.631 38.161 5.470 19627 2631 1 7 . 1 1 32 32 THR N N 32 118.682 118.682 119.493 -0.811 19627 2632 1 7 . 1 1 32 32 THR HA H 32 5.122 5.122 4.733 0.389 19627 2633 1 7 . 1 1 32 32 THR CA C 32 61.828 61.828 61.436 0.392 19627 2634 1 7 . 1 1 32 32 THR CB C 32 70.848 70.848 70.586 0.262 19627 2635 1 7 . 1 1 33 33 PHE N N 33 123.161 123.161 123.819 -0.658 19627 2636 1 7 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.835 0.009 19627 2637 1 7 . 1 1 33 33 PHE CA C 33 57.983 57.983 56.390 1.593 19627 2638 1 7 . 1 1 33 33 PHE CB C 33 40.905 40.905 41.585 -0.680 19627 2639 1 7 . 1 1 34 34 ASN N N 34 119.699 119.699 117.870 1.829 19627 2640 1 7 . 1 1 34 34 ASN HA H 34 5.355 5.355 5.052 0.303 19627 2641 1 7 . 1 1 34 34 ASN CA C 34 52.483 52.483 51.467 1.016 19627 2642 1 7 . 1 1 34 34 ASN CB C 34 41.443 41.443 42.219 -0.776 19627 2643 1 7 . 1 1 35 35 ALA N N 35 128.044 128.044 122.643 5.401 19627 2644 1 7 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.227 -0.060 19627 2645 1 7 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.490 0.324 19627 2646 1 7 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.044 -0.639 19627 2647 1 7 . 1 1 36 36 ASP N N 36 116.944 116.944 113.923 3.021 19627 2648 1 7 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.710 -0.273 19627 2649 1 7 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.270 -0.875 19627 2650 1 7 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.234 -1.722 19627 2651 1 7 . 1 1 37 37 LYS N N 37 108.202 108.202 119.782 -11.580 19627 2652 1 7 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.606 -1.342 19627 2653 1 7 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.891 1.183 19627 2654 1 7 . 1 1 37 37 LYS CB C 37 27.597 27.597 34.200 -6.603 19627 2655 1 7 . 1 1 38 38 THR N N 38 107.877 107.877 111.063 -3.186 19627 2656 1 7 . 1 1 38 38 THR HA H 38 5.403 5.403 4.732 0.671 19627 2657 1 7 . 1 1 38 38 THR CA C 38 61.011 61.011 61.345 -0.334 19627 2658 1 7 . 1 1 38 38 THR CB C 38 72.829 72.829 70.631 2.198 19627 2659 1 7 . 1 1 39 39 TYR N N 39 117.837 117.837 118.444 -0.607 19627 2660 1 7 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.263 0.451 19627 2661 1 7 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.170 0.572 19627 2662 1 7 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.325 2.254 19627 2663 1 7 . 1 1 40 40 GLU N N 40 118.677 118.677 118.134 0.543 19627 2664 1 7 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.375 -0.122 19627 2665 1 7 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.919 -0.860 19627 2666 1 7 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.308 0.647 19627 2667 1 7 . 1 1 41 41 VAL N N 41 121.838 121.838 120.144 1.694 19627 2668 1 7 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.400 0.759 19627 2669 1 7 . 1 1 41 41 VAL CA C 41 59.540 59.540 60.764 -1.224 19627 2670 1 7 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.960 -0.636 19627 2671 1 7 . 1 1 42 42 TYR N N 42 126.740 126.740 120.052 6.688 19627 2672 1 7 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.983 -0.168 19627 2673 1 7 . 1 1 42 42 TYR CA C 42 56.841 56.841 56.726 0.115 19627 2674 1 7 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.105 2.188 19627 2675 1 7 . 1 1 43 43 THR N N 43 122.111 122.111 116.354 5.757 19627 2676 1 7 . 1 1 43 43 THR HA H 43 5.126 5.126 5.083 0.043 19627 2677 1 7 . 1 1 43 43 THR CA C 43 60.915 60.915 61.008 -0.093 19627 2678 1 7 . 1 1 43 43 THR CB C 43 70.667 70.667 71.657 -0.990 19627 2679 1 7 . 1 1 44 44 GLY N N 44 112.123 112.123 114.970 -2.847 19627 2680 1 7 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.433 -0.395 19627 2681 1 7 . 1 1 45 45 SER N N 45 118.181 118.181 119.713 -1.532 19627 2682 1 7 . 1 1 45 45 SER HA H 45 4.736 4.736 4.897 -0.161 19627 2683 1 7 . 1 1 45 45 SER CA C 45 55.721 55.721 56.937 -1.216 19627 2684 1 7 . 1 1 45 45 SER CB C 45 64.234 64.234 65.530 -1.296 19627 2685 1 7 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.341 -0.063 19627 2686 1 7 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.520 0.383 19627 2687 1 7 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.186 -0.086 19627 2688 1 7 . 1 1 47 47 LEU N N 47 115.053 115.053 117.206 -2.153 19627 2689 1 7 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.685 -0.409 19627 2690 1 7 . 1 1 47 47 LEU CA C 47 54.820 54.820 56.918 -2.098 19627 2691 1 7 . 1 1 47 47 LEU CB C 47 42.497 42.497 41.936 0.561 19627 2692 1 7 . 1 1 48 48 SER N N 48 114.930 114.930 110.161 4.769 19627 2693 1 7 . 1 1 48 48 SER HA H 48 4.418 4.418 4.581 -0.163 19627 2694 1 7 . 1 1 48 48 SER CA C 48 57.896 57.896 57.582 0.314 19627 2695 1 7 . 1 1 48 48 SER CB C 48 64.328 64.328 64.184 0.144 19627 2696 1 7 . 1 1 49 49 ASN N N 49 121.801 121.801 120.751 1.050 19627 2697 1 7 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.386 0.297 19627 2698 1 7 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.608 -0.361 19627 2699 1 7 . 1 1 49 49 ASN CB C 49 39.147 39.147 37.709 1.438 19627 2700 1 7 . 1 1 50 50 GLY N N 50 108.685 108.685 110.465 -1.780 19627 2701 1 7 . 1 1 50 50 GLY CA C 50 45.049 45.049 46.595 -1.546 19627 2702 1 7 . 1 1 51 51 VAL N N 51 121.162 121.162 121.203 -0.041 19627 2703 1 7 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.524 -0.130 19627 2704 1 7 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.133 0.525 19627 2705 1 7 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.147 1.337 19627 2706 1 7 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.694 -0.033 19627 2707 1 7 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.152 0.741 19627 2708 1 7 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.624 0.272 19627 2709 1 7 . 1 1 53 53 PHE N N 53 123.537 123.537 121.272 2.265 19627 2710 1 7 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.702 -0.124 19627 2711 1 7 . 1 1 53 53 PHE CA C 53 57.762 57.762 56.845 0.917 19627 2712 1 7 . 1 1 53 53 PHE CB C 53 40.652 40.652 42.753 -2.101 19627 2713 1 7 . 1 1 54 54 ARG N N 54 124.570 124.570 124.561 0.009 19627 2714 1 7 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.960 -0.066 19627 2715 1 7 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.226 0.375 19627 2716 1 7 . 1 1 54 54 ARG CB C 54 33.401 33.401 30.846 2.555 19627 2717 1 7 . 1 1 55 55 GLY N N 55 107.998 107.998 111.546 -3.548 19627 2718 1 7 . 1 1 55 55 GLY CA C 55 45.542 45.542 43.489 2.053 19627 2719 1 7 . 1 1 56 56 THR N N 56 114.021 114.021 114.851 -0.830 19627 2720 1 7 . 1 1 56 56 THR HA H 56 5.777 5.777 5.139 0.638 19627 2721 1 7 . 1 1 56 56 THR CA C 56 60.409 60.409 61.236 -0.827 19627 2722 1 7 . 1 1 56 56 THR CB C 56 72.641 72.641 71.538 1.103 19627 2723 1 7 . 1 1 57 57 TYR N N 57 115.684 115.684 124.488 -8.804 19627 2724 1 7 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.270 0.986 19627 2725 1 7 . 1 1 57 57 TYR CA C 57 55.645 55.645 56.252 -0.607 19627 2726 1 7 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.020 2.332 19627 2727 1 7 . 1 1 58 58 ILE N N 58 118.048 118.048 119.369 -1.321 19627 2728 1 7 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.210 0.144 19627 2729 1 7 . 1 1 58 58 ILE CA C 58 60.009 60.009 59.962 0.047 19627 2730 1 7 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.589 0.336 19627 2731 1 7 . 1 1 59 59 ILE N N 59 124.887 124.887 125.080 -0.193 19627 2732 1 7 . 1 1 59 59 ILE HA H 59 5.004 5.004 5.010 -0.006 19627 2733 1 7 . 1 1 59 59 ILE CA C 59 58.275 58.275 58.791 -0.516 19627 2734 1 7 . 1 1 59 59 ILE CB C 59 40.709 40.709 42.052 -1.343 19627 2735 1 7 . 1 1 60 60 SER N N 60 122.768 122.768 119.354 3.414 19627 2736 1 7 . 1 1 60 60 SER HA H 60 4.835 4.835 4.830 0.005 19627 2737 1 7 . 1 1 60 60 SER CA C 60 55.735 55.735 57.004 -1.269 19627 2738 1 7 . 1 1 60 60 SER CB C 60 63.250 63.250 65.279 -2.029 19627 2739 1 7 . 1 1 61 61 LEU N N 61 129.303 129.303 124.320 4.983 19627 2740 1 7 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.232 -0.386 19627 2741 1 7 . 1 1 61 61 LEU CA C 61 58.659 58.659 57.438 1.221 19627 2742 1 7 . 1 1 61 61 LEU CB C 61 41.962 41.962 41.783 0.179 19627 2743 1 7 . 1 1 62 62 ASP N N 62 118.454 118.454 120.023 -1.569 19627 2744 1 7 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.480 -0.177 19627 2745 1 7 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.583 0.531 19627 2746 1 7 . 1 1 62 62 ASP CB C 62 40.178 40.178 40.320 -0.142 19627 2747 1 7 . 1 1 63 63 GLU N N 63 115.083 115.083 116.662 -1.579 19627 2748 1 7 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.351 -0.120 19627 2749 1 7 . 1 1 63 63 GLU CA C 63 55.915 55.915 55.819 0.096 19627 2750 1 7 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.669 1.729 19627 2751 1 7 . 1 1 64 64 LYS N N 64 117.578 117.578 120.337 -2.759 19627 2752 1 7 . 1 1 65 65 LEU N N 65 119.527 119.527 121.255 -1.728 19627 2753 1 7 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.966 0.184 19627 2754 1 7 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.647 -0.291 19627 2755 1 7 . 1 1 65 65 LEU CB C 65 47.627 47.627 46.717 0.910 19627 2756 1 7 . 1 1 66 66 ILE N N 66 123.527 123.527 123.067 0.460 19627 2757 1 7 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.043 -0.040 19627 2758 1 7 . 1 1 66 66 ILE CA C 66 58.348 58.348 58.709 -0.361 19627 2759 1 7 . 1 1 66 66 ILE CB C 66 42.093 42.093 41.165 0.928 19627 2760 1 7 . 1 1 67 67 LYS N N 67 125.168 125.168 125.798 -0.630 19627 2761 1 7 . 1 1 67 67 LYS HA H 67 4.407 4.407 5.003 -0.596 19627 2762 1 7 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.200 1.082 19627 2763 1 7 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.848 -0.600 19627 2764 1 7 . 1 1 68 68 LEU N N 68 123.218 123.218 121.738 1.480 19627 2765 1 7 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.571 0.227 19627 2766 1 7 . 1 1 68 68 LEU CA C 68 54.830 54.830 54.394 0.436 19627 2767 1 7 . 1 1 68 68 LEU CB C 68 40.826 40.826 44.411 -3.585 19627 2768 1 7 . 1 1 69 69 TYR N N 69 119.751 119.751 123.263 -3.512 19627 2769 1 7 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.646 -0.222 19627 2770 1 7 . 1 1 69 69 TYR CA C 69 57.166 57.166 56.537 0.629 19627 2771 1 7 . 1 1 69 69 TYR CB C 69 42.319 42.319 42.172 0.147 19627 2772 1 7 . 1 1 70 70 ASP N N 70 120.335 120.335 124.792 -4.457 19627 2773 1 7 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.038 0.004 19627 2774 1 7 . 1 1 70 70 ASP CA C 70 52.428 52.428 53.348 -0.920 19627 2775 1 7 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.281 -0.071 19627 2776 1 7 . 1 1 71 71 LYS N N 71 117.975 117.975 117.517 0.458 19627 2777 1 7 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.046 0.159 19627 2778 1 7 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.840 -0.651 19627 2779 1 7 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.645 0.579 19627 2780 1 7 . 1 1 72 72 GLU N N 72 119.779 119.779 118.786 0.993 19627 2781 1 7 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.504 -0.228 19627 2782 1 7 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.305 -0.482 19627 2783 1 7 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.884 -0.245 19627 2784 1 7 . 1 1 73 73 GLU N N 73 112.572 112.572 115.735 -3.163 19627 2785 1 7 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.280 -0.674 19627 2786 1 7 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.198 0.893 19627 2787 1 7 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.374 -0.474 19627 2788 1 7 . 1 1 74 74 HIS N N 74 118.561 118.561 118.932 -0.371 19627 2789 1 7 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.610 0.262 19627 2790 1 7 . 1 1 74 74 HIS CA C 74 54.491 54.491 55.949 -1.458 19627 2791 1 7 . 1 1 74 74 HIS CB C 74 28.650 28.650 29.449 -0.799 19627 2792 1 7 . 1 1 75 75 CYS N N 75 126.459 126.459 125.306 1.153 19627 2793 1 7 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.840 0.210 19627 2794 1 7 . 1 1 75 75 CYS CA C 75 58.539 58.539 58.913 -0.374 19627 2795 1 7 . 1 1 75 75 CYS CB C 75 26.305 26.305 26.181 0.124 19627 2796 1 7 . 1 1 76 76 THR N N 76 123.868 123.868 116.719 7.149 19627 2797 1 7 . 1 1 76 76 THR HA H 76 4.115 4.115 4.274 -0.159 19627 2798 1 7 . 1 1 76 76 THR CA C 76 62.701 62.701 63.105 -0.404 19627 2799 1 7 . 1 1 76 76 THR CB C 76 68.451 68.451 69.522 -1.071 19627 2800 1 7 . 1 1 77 77 GLU N N 77 120.185 120.185 118.574 1.611 19627 2801 1 7 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.505 -0.330 19627 2802 1 7 . 1 1 77 77 GLU CA C 77 54.697 54.697 54.656 0.041 19627 2803 1 7 . 1 1 77 77 GLU CB C 77 34.100 34.100 32.537 1.563 19627 2804 1 7 . 1 1 78 78 GLN N N 78 118.401 118.401 117.696 0.705 19627 2805 1 7 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.854 -0.157 19627 2806 1 7 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.710 -0.777 19627 2807 1 7 . 1 1 78 78 GLN CB C 78 31.842 31.842 30.510 1.332 19627 2808 1 7 . 1 1 79 79 TYR N N 79 116.069 116.069 123.008 -6.939 19627 2809 1 7 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.964 -0.114 19627 2810 1 7 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.048 -0.049 19627 2811 1 7 . 1 1 79 79 TYR CB C 79 41.813 41.813 40.188 1.625 19627 2812 1 7 . 1 1 80 80 HIS N N 80 119.747 119.747 119.698 0.049 19627 2813 1 7 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.412 0.761 19627 2814 1 7 . 1 1 80 80 HIS CA C 80 55.121 55.121 56.737 -1.616 19627 2815 1 7 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.277 -1.558 19627 2816 1 7 . 1 1 81 81 ILE N N 81 126.268 126.268 120.711 5.557 19627 2817 1 7 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.977 0.243 19627 2818 1 7 . 1 1 81 81 ILE CA C 81 61.739 61.739 61.809 -0.070 19627 2819 1 7 . 1 1 81 81 ILE CB C 81 38.354 38.354 37.812 0.542 19627 2820 1 7 . 1 1 82 82 LEU N N 82 127.552 127.552 127.980 -0.428 19627 2821 1 7 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.378 -0.284 19627 2822 1 7 . 1 1 82 82 LEU CA C 82 55.392 55.392 56.283 -0.892 19627 2823 1 7 . 1 1 82 82 LEU CB C 82 43.115 43.115 43.166 -0.051 19627 2824 1 7 . 1 1 83 83 LYS N N 83 115.809 115.809 115.716 0.093 19627 2825 1 7 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.599 -0.399 19627 2826 1 7 . 1 1 83 83 LYS CA C 83 55.693 55.693 54.938 0.755 19627 2827 1 7 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.210 0.712 19627 2828 1 7 . 1 1 84 84 LEU N N 84 129.953 129.953 124.477 5.476 19627 2829 1 7 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.361 -0.527 19627 2830 1 7 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.627 -0.013 19627 2831 1 7 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.607 -1.840 19627 2832 1 7 . 1 1 85 85 THR N N 85 119.648 119.648 115.103 4.545 19627 2833 1 7 . 1 1 85 85 THR HA H 85 4.897 4.897 5.005 -0.108 19627 2834 1 7 . 1 1 85 85 THR CA C 85 58.717 58.717 59.911 -1.194 19627 2835 1 7 . 1 1 85 85 THR CB C 85 72.356 72.356 70.898 1.458 19627 2836 1 7 . 1 1 86 86 SER N N 86 108.790 108.790 113.006 -4.216 19627 2837 1 7 . 1 1 86 86 SER HA H 86 4.165 4.165 4.262 -0.097 19627 2838 1 7 . 1 1 86 86 SER CA C 86 60.370 60.370 60.760 -0.390 19627 2839 1 7 . 1 1 86 86 SER CB C 86 63.258 63.258 63.181 0.077 19627 2840 1 7 . 1 1 87 87 LYS N N 87 116.161 116.161 116.942 -0.781 19627 2841 1 7 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.415 0.099 19627 2842 1 7 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.411 0.068 19627 2843 1 7 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.925 1.438 19627 2844 1 7 . 1 1 88 88 GLU N N 88 119.485 119.485 120.086 -0.601 19627 2845 1 7 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.739 0.724 19627 2846 1 7 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.522 0.073 19627 2847 1 7 . 1 1 88 88 GLU CB C 88 35.601 35.601 32.610 2.991 19627 2848 1 7 . 1 1 89 89 MET N N 89 122.595 122.595 124.033 -1.438 19627 2849 1 7 . 1 1 89 89 MET HA H 89 4.940 4.940 4.917 0.023 19627 2850 1 7 . 1 1 89 89 MET CA C 89 53.785 53.785 54.120 -0.335 19627 2851 1 7 . 1 1 89 89 MET CB C 89 36.210 36.210 36.370 -0.160 19627 2852 1 7 . 1 1 90 90 LYS N N 90 124.449 124.449 122.357 2.092 19627 2853 1 7 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.751 0.044 19627 2854 1 7 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.557 -0.204 19627 2855 1 7 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.306 3.458 19627 2856 1 7 . 1 1 91 91 TRP N N 91 125.457 125.457 125.298 0.159 19627 2857 1 7 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.901 0.613 19627 2858 1 7 . 1 1 91 91 TRP CA C 91 52.510 52.510 56.411 -3.901 19627 2859 1 7 . 1 1 91 91 TRP CB C 91 34.752 34.752 31.040 3.712 19627 2860 1 7 . 1 1 92 92 GLU N N 92 123.111 123.111 121.325 1.786 19627 2861 1 7 . 1 1 92 92 GLU HA H 92 4.875 4.875 5.068 -0.193 19627 2862 1 7 . 1 1 92 92 GLU C C 92 176.109 176.109 177.008 -0.899 19627 2863 1 7 . 1 1 92 92 GLU CA C 92 53.610 53.610 53.780 -0.170 19627 2864 1 7 . 1 1 92 92 GLU CB C 92 33.384 33.384 33.572 -0.188 19627 2865 1 7 . 1 1 93 93 ASN N N 93 126.757 126.757 126.225 0.532 19627 2866 1 7 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.438 -0.035 19627 2867 1 7 . 1 1 93 93 ASN CA C 93 54.992 54.992 57.144 -2.152 19627 2868 1 7 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.771 -1.168 19627 2869 1 7 . 1 1 94 94 ALA N N 94 130.509 130.509 121.078 9.431 19627 2870 1 7 . 1 1 94 94 ALA HA H 94 4.205 4.205 3.950 0.255 19627 2871 1 7 . 1 1 94 94 ALA CA C 94 52.062 52.062 53.956 -1.894 19627 2872 1 7 . 1 1 94 94 ALA CB C 94 19.010 19.010 16.927 2.083 19627 2873 1 7 . 1 1 95 95 SER N N 95 114.601 114.601 115.553 -0.952 19627 2874 1 7 . 1 1 95 95 SER HA H 95 4.545 4.545 4.823 -0.278 19627 2875 1 7 . 1 1 95 95 SER CA C 95 54.544 54.544 54.244 0.300 19627 2876 1 7 . 1 1 95 95 SER CB C 95 63.081 63.081 63.189 -0.108 19627 2877 1 7 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.465 -0.161 19627 2878 1 7 . 1 1 96 96 PRO CA C 96 64.589 64.589 63.928 0.661 19627 2879 1 7 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.801 0.457 19627 2880 1 7 . 1 1 97 97 LYS N N 97 118.117 118.117 114.977 3.140 19627 2881 1 7 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.419 -0.271 19627 2882 1 7 . 1 1 97 97 LYS CA C 97 57.447 57.447 56.615 0.832 19627 2883 1 7 . 1 1 97 97 LYS CB C 97 31.991 31.991 32.152 -0.161 19627 2884 1 7 . 1 1 98 98 ASP N N 98 119.820 119.820 120.376 -0.556 19627 2885 1 7 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.683 -0.358 19627 2886 1 7 . 1 1 98 98 ASP CA C 98 54.598 54.598 53.616 0.982 19627 2887 1 7 . 1 1 98 98 ASP CB C 98 40.782 40.782 42.449 -1.667 19627 2888 1 7 . 1 1 99 99 GLY N N 99 107.593 107.593 108.202 -0.609 19627 2889 1 7 . 1 1 99 99 GLY CA C 99 45.636 45.636 45.118 0.518 19627 2890 1 7 . 1 1 100 100 ASN N N 100 119.859 119.859 119.758 0.101 19627 2891 1 7 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.807 -0.087 19627 2892 1 7 . 1 1 100 100 ASN C C 100 175.832 175.832 173.827 2.005 19627 2893 1 7 . 1 1 100 100 ASN CA C 100 53.853 53.853 51.825 2.028 19627 2894 1 7 . 1 1 100 100 ASN CB C 100 38.772 38.772 42.364 -3.592 19627 2895 1 7 . 1 1 101 101 SER N N 101 117.380 117.380 114.086 3.294 19627 2896 1 7 . 1 1 101 101 SER HA H 101 4.533 4.533 4.774 -0.241 19627 2897 1 7 . 1 1 101 101 SER C C 101 175.075 175.075 173.172 1.903 19627 2898 1 7 . 1 1 101 101 SER CA C 101 57.658 57.658 57.631 0.027 19627 2899 1 7 . 1 1 101 101 SER CB C 101 64.927 64.927 66.686 -1.759 19627 2900 1 7 . 1 1 102 102 ASP N N 102 123.193 123.193 120.655 2.538 19627 2901 1 7 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.033 -0.427 19627 2902 1 7 . 1 1 102 102 ASP C C 102 177.297 177.297 175.924 1.373 19627 2903 1 7 . 1 1 102 102 ASP CA C 102 55.558 55.558 53.564 1.994 19627 2904 1 7 . 1 1 102 102 ASP CB C 102 40.668 40.668 41.150 -0.482 19627 2905 1 7 . 1 1 103 103 LYS N N 103 117.188 117.188 118.896 -1.708 19627 2906 1 7 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.454 0.943 19627 2907 1 7 . 1 1 103 103 LYS CA C 103 55.561 55.561 56.164 -0.603 19627 2908 1 7 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.285 6.666 19627 2909 1 7 . 1 1 104 104 ARG N N 104 122.088 122.088 118.121 3.967 19627 2910 1 7 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.624 0.184 19627 2911 1 7 . 1 1 104 104 ARG C C 104 174.517 174.517 174.729 -0.212 19627 2912 1 7 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.724 0.960 19627 2913 1 7 . 1 1 104 104 ARG CB C 104 33.949 33.949 30.438 3.511 19627 2914 1 7 . 1 1 105 105 LEU N N 105 126.226 126.226 124.348 1.878 19627 2915 1 7 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.408 1.081 19627 2916 1 7 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.356 -0.214 19627 2917 1 7 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.228 3.624 19627 2918 1 7 . 1 1 106 106 GLU N N 106 120.408 120.408 125.678 -5.270 19627 2919 1 7 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.808 0.537 19627 2920 1 7 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.406 -1.158 19627 2921 1 7 . 1 1 106 106 GLU CB C 106 34.552 34.552 30.004 4.548 19627 2922 1 7 . 1 1 107 107 LYS N N 107 127.864 127.864 120.852 7.012 19627 2923 1 7 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.154 0.320 19627 2924 1 7 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.691 -0.787 19627 2925 1 7 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.114 0.260 19627 2926 1 7 . 1 1 108 108 TYR N N 108 127.870 127.870 120.789 7.081 19627 2927 1 7 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.612 -0.171 19627 2928 1 7 . 1 1 108 108 TYR CA C 108 57.519 57.519 56.763 0.756 19627 2929 1 7 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.413 1.710 19627 2930 1 7 . 1 1 109 109 ASN N N 109 123.534 123.534 127.159 -3.625 19627 2931 1 7 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.648 -0.072 19627 2932 1 7 . 1 1 109 109 ASN CA C 109 53.020 53.020 51.825 1.195 19627 2933 1 7 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.914 2.682 19627 2934 1 8 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.686 -0.166 19627 2935 1 8 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.213 0.993 19627 2936 1 8 . 1 1 2 2 ASP CB C 2 41.225 41.225 42.208 -0.983 19627 2937 1 8 . 1 1 3 3 GLU N N 3 119.869 119.869 123.367 -3.498 19627 2938 1 8 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.534 -0.335 19627 2939 1 8 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.279 0.750 19627 2940 1 8 . 1 1 3 3 GLU CB C 3 29.820 29.820 30.287 -0.467 19627 2941 1 8 . 1 1 4 4 ASP N N 4 119.650 119.650 121.473 -1.823 19627 2942 1 8 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.817 -0.377 19627 2943 1 8 . 1 1 4 4 ASP CA C 4 55.118 55.118 53.830 1.288 19627 2944 1 8 . 1 1 4 4 ASP CB C 4 41.245 41.245 40.964 0.281 19627 2945 1 8 . 1 1 5 5 ASP N N 5 119.339 119.339 119.360 -0.021 19627 2946 1 8 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.378 0.252 19627 2947 1 8 . 1 1 5 5 ASP CA C 5 53.761 53.761 55.702 -1.941 19627 2948 1 8 . 1 1 5 5 ASP CB C 5 40.866 40.866 40.244 0.622 19627 2949 1 8 . 1 1 6 6 LYS N N 6 121.265 121.265 114.585 6.680 19627 2950 1 8 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.549 -0.332 19627 2951 1 8 . 1 1 6 6 LYS CA C 6 56.109 56.109 54.033 2.076 19627 2952 1 8 . 1 1 6 6 LYS CB C 6 33.916 33.916 35.063 -1.147 19627 2953 1 8 . 1 1 7 7 VAL N N 7 122.743 122.743 122.670 0.073 19627 2954 1 8 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.326 -0.275 19627 2955 1 8 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.509 -0.005 19627 2956 1 8 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.388 1.350 19627 2957 1 8 . 1 1 8 8 GLU N N 8 129.254 129.254 128.402 0.852 19627 2958 1 8 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.640 -0.036 19627 2959 1 8 . 1 1 8 8 GLU CA C 8 54.083 54.083 54.808 -0.725 19627 2960 1 8 . 1 1 8 8 GLU CB C 8 30.047 30.047 33.368 -3.321 19627 2961 1 8 . 1 1 9 9 ILE N N 9 123.662 123.662 124.117 -0.455 19627 2962 1 8 . 1 1 9 9 ILE HA H 9 3.819 3.819 3.974 -0.155 19627 2963 1 8 . 1 1 9 9 ILE CA C 9 63.426 63.426 65.656 -2.230 19627 2964 1 8 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.129 -0.289 19627 2965 1 8 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.383 -0.045 19627 2966 1 8 . 1 1 10 10 PRO CA C 10 65.786 65.786 65.383 0.403 19627 2967 1 8 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.149 0.710 19627 2968 1 8 . 1 1 11 11 GLN N N 11 112.602 112.602 115.873 -3.271 19627 2969 1 8 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.272 -0.050 19627 2970 1 8 . 1 1 11 11 GLN C C 11 176.461 176.461 177.475 -1.014 19627 2971 1 8 . 1 1 11 11 GLN CA C 11 55.805 55.805 57.002 -1.197 19627 2972 1 8 . 1 1 11 11 GLN CB C 11 27.861 27.861 27.671 0.190 19627 2973 1 8 . 1 1 12 12 LEU N N 12 119.555 119.555 120.199 -0.644 19627 2974 1 8 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.424 -0.516 19627 2975 1 8 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.987 0.128 19627 2976 1 8 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.971 1.332 19627 2977 1 8 . 1 1 13 13 VAL N N 13 112.720 112.720 116.914 -4.194 19627 2978 1 8 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.957 -0.205 19627 2979 1 8 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.840 -0.123 19627 2980 1 8 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.927 1.101 19627 2981 1 8 . 1 1 14 14 GLY N N 14 116.042 116.042 106.359 9.683 19627 2982 1 8 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.203 -0.452 19627 2983 1 8 . 1 1 15 15 LYS N N 15 120.788 120.788 119.415 1.373 19627 2984 1 8 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.715 0.470 19627 2985 1 8 . 1 1 15 15 LYS CA C 15 55.797 55.797 55.671 0.126 19627 2986 1 8 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.670 0.489 19627 2987 1 8 . 1 1 16 16 TRP N N 16 123.983 123.983 122.352 1.631 19627 2988 1 8 . 1 1 16 16 TRP HA H 16 4.915 4.915 5.102 -0.187 19627 2989 1 8 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.629 -0.829 19627 2990 1 8 . 1 1 16 16 TRP CB C 16 34.179 34.179 31.839 2.340 19627 2991 1 8 . 1 1 17 17 ILE N N 17 122.229 122.229 123.722 -1.493 19627 2992 1 8 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.282 0.610 19627 2993 1 8 . 1 1 17 17 ILE CA C 17 58.782 58.782 61.233 -2.451 19627 2994 1 8 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.026 0.558 19627 2995 1 8 . 1 1 18 18 VAL N N 18 126.326 126.326 127.567 -1.241 19627 2996 1 8 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.393 -0.552 19627 2997 1 8 . 1 1 18 18 VAL CA C 18 64.643 64.643 61.994 2.649 19627 2998 1 8 . 1 1 18 18 VAL CB C 18 31.568 31.568 30.508 1.060 19627 2999 1 8 . 1 1 19 19 LYS N N 19 129.061 129.061 122.171 6.890 19627 3000 1 8 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.509 -0.053 19627 3001 1 8 . 1 1 19 19 LYS CA C 19 54.524 54.524 55.889 -1.365 19627 3002 1 8 . 1 1 19 19 LYS CB C 19 33.173 33.173 33.341 -0.168 19627 3003 1 8 . 1 1 20 20 GLU N N 20 118.305 118.305 119.865 -1.560 19627 3004 1 8 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.624 -0.234 19627 3005 1 8 . 1 1 20 20 GLU CA C 20 54.118 54.118 54.130 -0.012 19627 3006 1 8 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.450 2.063 19627 3007 1 8 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.412 0.195 19627 3008 1 8 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.633 -0.003 19627 3009 1 8 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.624 2.166 19627 3010 1 8 . 1 1 22 22 VAL N N 22 119.998 119.998 119.190 0.808 19627 3011 1 8 . 1 1 22 22 VAL HA H 22 4.017 4.017 4.204 -0.187 19627 3012 1 8 . 1 1 22 22 VAL CA C 22 62.374 62.374 60.493 1.881 19627 3013 1 8 . 1 1 22 22 VAL CB C 22 32.937 32.937 33.594 -0.657 19627 3014 1 8 . 1 1 23 23 LEU N N 23 128.343 128.343 126.397 1.946 19627 3015 1 8 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.707 -0.260 19627 3016 1 8 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.072 0.118 19627 3017 1 8 . 1 1 23 23 LEU CB C 23 42.828 42.828 43.335 -0.507 19627 3018 1 8 . 1 1 24 24 GLN N N 24 117.971 117.971 119.742 -1.771 19627 3019 1 8 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.465 -0.205 19627 3020 1 8 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.739 -0.141 19627 3021 1 8 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.525 0.579 19627 3022 1 8 . 1 1 25 25 ASP N N 25 117.501 117.501 118.298 -0.797 19627 3023 1 8 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.272 -0.066 19627 3024 1 8 . 1 1 25 25 ASP CA C 25 55.769 55.769 56.827 -1.058 19627 3025 1 8 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.191 -0.229 19627 3026 1 8 . 1 1 26 26 ASP N N 26 112.782 112.782 119.437 -6.655 19627 3027 1 8 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.633 -0.298 19627 3028 1 8 . 1 1 26 26 ASP CA C 26 55.159 55.159 53.803 1.356 19627 3029 1 8 . 1 1 26 26 ASP CB C 26 39.737 39.737 41.845 -2.108 19627 3030 1 8 . 1 1 27 27 PHE N N 27 118.623 118.623 123.379 -4.756 19627 3031 1 8 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.493 -0.066 19627 3032 1 8 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.293 -1.282 19627 3033 1 8 . 1 1 27 27 PHE CB C 27 40.533 40.533 38.540 1.993 19627 3034 1 8 . 1 1 28 28 VAL N N 28 119.117 119.117 117.121 1.996 19627 3035 1 8 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.687 -0.187 19627 3036 1 8 . 1 1 28 28 VAL CA C 28 60.900 60.900 59.059 1.841 19627 3037 1 8 . 1 1 28 28 VAL CB C 28 36.175 36.175 35.173 1.002 19627 3038 1 8 . 1 1 29 29 THR N N 29 124.304 124.304 115.185 9.119 19627 3039 1 8 . 1 1 29 29 THR HA H 29 5.212 5.212 4.579 0.633 19627 3040 1 8 . 1 1 29 29 THR CA C 29 62.051 62.051 62.011 0.040 19627 3041 1 8 . 1 1 29 29 THR CB C 29 70.541 70.541 72.393 -1.852 19627 3042 1 8 . 1 1 30 30 CYS N N 30 123.969 123.969 121.162 2.807 19627 3043 1 8 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.316 0.265 19627 3044 1 8 . 1 1 30 30 CYS CA C 30 56.066 56.066 57.262 -1.196 19627 3045 1 8 . 1 1 30 30 CYS CB C 30 31.010 31.010 28.729 2.281 19627 3046 1 8 . 1 1 31 31 TYR N N 31 125.131 125.131 125.128 0.003 19627 3047 1 8 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.731 0.434 19627 3048 1 8 . 1 1 31 31 TYR CA C 31 57.270 57.270 59.656 -2.386 19627 3049 1 8 . 1 1 31 31 TYR CB C 31 43.631 43.631 39.663 3.968 19627 3050 1 8 . 1 1 32 32 THR N N 32 118.682 118.682 117.091 1.591 19627 3051 1 8 . 1 1 32 32 THR HA H 32 5.122 5.122 4.947 0.175 19627 3052 1 8 . 1 1 32 32 THR CA C 32 61.828 61.828 61.944 -0.117 19627 3053 1 8 . 1 1 32 32 THR CB C 32 70.848 70.848 70.888 -0.040 19627 3054 1 8 . 1 1 33 33 PHE N N 33 123.161 123.161 125.192 -2.031 19627 3055 1 8 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.769 0.075 19627 3056 1 8 . 1 1 33 33 PHE CA C 33 57.983 57.983 57.843 0.141 19627 3057 1 8 . 1 1 33 33 PHE CB C 33 40.905 40.905 40.722 0.183 19627 3058 1 8 . 1 1 34 34 ASN N N 34 119.699 119.699 117.202 2.497 19627 3059 1 8 . 1 1 34 34 ASN HA H 34 5.355 5.355 5.101 0.254 19627 3060 1 8 . 1 1 34 34 ASN CA C 34 52.483 52.483 51.591 0.892 19627 3061 1 8 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.657 -0.214 19627 3062 1 8 . 1 1 35 35 ALA N N 35 128.044 128.044 121.030 7.014 19627 3063 1 8 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.253 -0.086 19627 3064 1 8 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.640 0.174 19627 3065 1 8 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.208 -0.803 19627 3066 1 8 . 1 1 36 36 ASP N N 36 116.944 116.944 112.208 4.736 19627 3067 1 8 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.634 -0.197 19627 3068 1 8 . 1 1 36 36 ASP CA C 36 53.395 53.395 53.860 -0.465 19627 3069 1 8 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.024 -1.512 19627 3070 1 8 . 1 1 37 37 LYS N N 37 108.202 108.202 121.158 -12.956 19627 3071 1 8 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.547 -1.283 19627 3072 1 8 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.308 1.766 19627 3073 1 8 . 1 1 37 37 LYS CB C 37 27.597 27.597 34.462 -6.865 19627 3074 1 8 . 1 1 38 38 THR N N 38 107.877 107.877 109.949 -2.072 19627 3075 1 8 . 1 1 38 38 THR HA H 38 5.403 5.403 4.767 0.636 19627 3076 1 8 . 1 1 38 38 THR CA C 38 61.011 61.011 60.132 0.879 19627 3077 1 8 . 1 1 38 38 THR CB C 38 72.829 72.829 70.153 2.676 19627 3078 1 8 . 1 1 39 39 TYR N N 39 117.837 117.837 116.283 1.554 19627 3079 1 8 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.313 0.401 19627 3080 1 8 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.318 0.424 19627 3081 1 8 . 1 1 39 39 TYR CB C 39 43.579 43.579 40.798 2.781 19627 3082 1 8 . 1 1 40 40 GLU N N 40 118.677 118.677 117.938 0.739 19627 3083 1 8 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.138 0.115 19627 3084 1 8 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.396 -0.337 19627 3085 1 8 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.408 0.547 19627 3086 1 8 . 1 1 41 41 VAL N N 41 121.838 121.838 119.065 2.773 19627 3087 1 8 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.064 1.095 19627 3088 1 8 . 1 1 41 41 VAL CA C 41 59.540 59.540 60.211 -0.671 19627 3089 1 8 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.039 0.285 19627 3090 1 8 . 1 1 42 42 TYR N N 42 126.740 126.740 119.211 7.529 19627 3091 1 8 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.931 -0.116 19627 3092 1 8 . 1 1 42 42 TYR CA C 42 56.841 56.841 56.769 0.072 19627 3093 1 8 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.299 1.994 19627 3094 1 8 . 1 1 43 43 THR N N 43 122.111 122.111 115.461 6.650 19627 3095 1 8 . 1 1 43 43 THR HA H 43 5.126 5.126 5.033 0.093 19627 3096 1 8 . 1 1 43 43 THR CA C 43 60.915 60.915 60.349 0.566 19627 3097 1 8 . 1 1 43 43 THR CB C 43 70.667 70.667 72.086 -1.419 19627 3098 1 8 . 1 1 44 44 GLY N N 44 112.123 112.123 113.955 -1.832 19627 3099 1 8 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.667 -0.629 19627 3100 1 8 . 1 1 45 45 SER N N 45 118.181 118.181 115.256 2.925 19627 3101 1 8 . 1 1 45 45 SER HA H 45 4.736 4.736 4.324 0.412 19627 3102 1 8 . 1 1 45 45 SER CA C 45 55.721 55.721 58.948 -3.227 19627 3103 1 8 . 1 1 45 45 SER CB C 45 64.234 64.234 62.528 1.706 19627 3104 1 8 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.453 -0.175 19627 3105 1 8 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.602 0.301 19627 3106 1 8 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.130 -0.030 19627 3107 1 8 . 1 1 47 47 LEU N N 47 115.053 115.053 116.921 -1.868 19627 3108 1 8 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.508 -0.232 19627 3109 1 8 . 1 1 47 47 LEU CA C 47 54.820 54.820 54.368 0.452 19627 3110 1 8 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.388 0.109 19627 3111 1 8 . 1 1 48 48 SER N N 48 114.930 114.930 115.887 -0.957 19627 3112 1 8 . 1 1 48 48 SER HA H 48 4.418 4.418 4.324 0.094 19627 3113 1 8 . 1 1 48 48 SER CA C 48 57.896 57.896 58.494 -0.598 19627 3114 1 8 . 1 1 48 48 SER CB C 48 64.328 64.328 63.282 1.046 19627 3115 1 8 . 1 1 49 49 ASN N N 49 121.801 121.801 120.010 1.791 19627 3116 1 8 . 1 1 49 49 ASN HA H 49 4.683 4.683 3.657 1.026 19627 3117 1 8 . 1 1 49 49 ASN CA C 49 53.247 53.247 54.493 -1.246 19627 3118 1 8 . 1 1 49 49 ASN CB C 49 39.147 39.147 38.173 0.974 19627 3119 1 8 . 1 1 50 50 GLY N N 50 108.685 108.685 105.651 3.034 19627 3120 1 8 . 1 1 50 50 GLY CA C 50 45.049 45.049 46.121 -1.072 19627 3121 1 8 . 1 1 51 51 VAL N N 51 121.162 121.162 121.297 -0.135 19627 3122 1 8 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.399 -0.005 19627 3123 1 8 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.649 0.009 19627 3124 1 8 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.942 0.542 19627 3125 1 8 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.522 0.139 19627 3126 1 8 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.416 0.477 19627 3127 1 8 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.823 0.073 19627 3128 1 8 . 1 1 53 53 PHE N N 53 123.537 123.537 120.487 3.050 19627 3129 1 8 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.721 -0.143 19627 3130 1 8 . 1 1 53 53 PHE CA C 53 57.762 57.762 56.913 0.849 19627 3131 1 8 . 1 1 53 53 PHE CB C 53 40.652 40.652 42.957 -2.305 19627 3132 1 8 . 1 1 54 54 ARG N N 54 124.570 124.570 125.435 -0.865 19627 3133 1 8 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.510 0.384 19627 3134 1 8 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.086 0.515 19627 3135 1 8 . 1 1 54 54 ARG CB C 54 33.401 33.401 32.902 0.499 19627 3136 1 8 . 1 1 55 55 GLY N N 55 107.998 107.998 109.315 -1.317 19627 3137 1 8 . 1 1 55 55 GLY CA C 55 45.542 45.542 44.967 0.575 19627 3138 1 8 . 1 1 56 56 THR N N 56 114.021 114.021 113.728 0.293 19627 3139 1 8 . 1 1 56 56 THR HA H 56 5.777 5.777 4.986 0.791 19627 3140 1 8 . 1 1 56 56 THR CA C 56 60.409 60.409 60.320 0.089 19627 3141 1 8 . 1 1 56 56 THR CB C 56 72.641 72.641 71.946 0.695 19627 3142 1 8 . 1 1 57 57 TYR N N 57 115.684 115.684 121.183 -5.499 19627 3143 1 8 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.665 0.591 19627 3144 1 8 . 1 1 57 57 TYR CA C 57 55.645 55.645 56.311 -0.666 19627 3145 1 8 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.230 2.122 19627 3146 1 8 . 1 1 58 58 ILE N N 58 118.048 118.048 120.726 -2.678 19627 3147 1 8 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.323 0.032 19627 3148 1 8 . 1 1 58 58 ILE CA C 58 60.009 60.009 59.682 0.327 19627 3149 1 8 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.451 0.474 19627 3150 1 8 . 1 1 59 59 ILE N N 59 124.887 124.887 124.048 0.839 19627 3151 1 8 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.992 0.012 19627 3152 1 8 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.508 -1.233 19627 3153 1 8 . 1 1 59 59 ILE CB C 59 40.709 40.709 41.939 -1.230 19627 3154 1 8 . 1 1 60 60 SER N N 60 122.768 122.768 120.435 2.333 19627 3155 1 8 . 1 1 60 60 SER HA H 60 4.835 4.835 4.622 0.213 19627 3156 1 8 . 1 1 60 60 SER CA C 60 55.735 55.735 58.146 -2.411 19627 3157 1 8 . 1 1 60 60 SER CB C 60 63.250 63.250 63.966 -0.716 19627 3158 1 8 . 1 1 61 61 LEU N N 61 129.303 129.303 124.014 5.289 19627 3159 1 8 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.273 -0.427 19627 3160 1 8 . 1 1 61 61 LEU CA C 61 58.659 58.659 57.536 1.123 19627 3161 1 8 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.090 -0.128 19627 3162 1 8 . 1 1 62 62 ASP N N 62 118.454 118.454 117.660 0.794 19627 3163 1 8 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.487 -0.184 19627 3164 1 8 . 1 1 62 62 ASP CA C 62 57.114 57.114 55.580 1.534 19627 3165 1 8 . 1 1 62 62 ASP CB C 62 40.178 40.178 40.758 -0.580 19627 3166 1 8 . 1 1 63 63 GLU N N 63 115.083 115.083 119.438 -4.355 19627 3167 1 8 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.296 -0.065 19627 3168 1 8 . 1 1 63 63 GLU CA C 63 55.915 55.915 55.920 -0.005 19627 3169 1 8 . 1 1 63 63 GLU CB C 63 31.398 31.398 30.613 0.784 19627 3170 1 8 . 1 1 64 64 LYS N N 64 117.578 117.578 122.722 -5.144 19627 3171 1 8 . 1 1 65 65 LEU N N 65 119.527 119.527 123.854 -4.327 19627 3172 1 8 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.860 0.290 19627 3173 1 8 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.621 -0.266 19627 3174 1 8 . 1 1 65 65 LEU CB C 65 47.627 47.627 46.136 1.491 19627 3175 1 8 . 1 1 66 66 ILE N N 66 123.527 123.527 125.411 -1.884 19627 3176 1 8 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.078 -0.075 19627 3177 1 8 . 1 1 66 66 ILE CA C 66 58.348 58.348 58.794 -0.446 19627 3178 1 8 . 1 1 66 66 ILE CB C 66 42.093 42.093 41.737 0.356 19627 3179 1 8 . 1 1 67 67 LYS N N 67 125.168 125.168 126.240 -1.072 19627 3180 1 8 . 1 1 67 67 LYS HA H 67 4.407 4.407 5.104 -0.697 19627 3181 1 8 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.328 0.954 19627 3182 1 8 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.483 -0.234 19627 3183 1 8 . 1 1 68 68 LEU N N 68 123.218 123.218 121.735 1.483 19627 3184 1 8 . 1 1 68 68 LEU HA H 68 4.798 4.798 5.077 -0.279 19627 3185 1 8 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.472 1.358 19627 3186 1 8 . 1 1 68 68 LEU CB C 68 40.826 40.826 43.414 -2.588 19627 3187 1 8 . 1 1 69 69 TYR N N 69 119.751 119.751 122.504 -2.753 19627 3188 1 8 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.138 0.286 19627 3189 1 8 . 1 1 69 69 TYR CA C 69 57.166 57.166 56.970 0.196 19627 3190 1 8 . 1 1 69 69 TYR CB C 69 42.319 42.319 41.216 1.103 19627 3191 1 8 . 1 1 70 70 ASP N N 70 120.335 120.335 121.713 -1.378 19627 3192 1 8 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.272 -0.230 19627 3193 1 8 . 1 1 70 70 ASP CA C 70 52.428 52.428 53.472 -1.044 19627 3194 1 8 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.070 0.140 19627 3195 1 8 . 1 1 71 71 LYS N N 71 117.975 117.975 120.721 -2.746 19627 3196 1 8 . 1 1 71 71 LYS HA H 71 4.205 4.205 3.992 0.213 19627 3197 1 8 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.716 -0.527 19627 3198 1 8 . 1 1 71 71 LYS CB C 71 32.224 32.224 32.034 0.190 19627 3199 1 8 . 1 1 72 72 GLU N N 72 119.779 119.779 116.954 2.825 19627 3200 1 8 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.208 0.068 19627 3201 1 8 . 1 1 72 72 GLU CA C 72 55.823 55.823 57.055 -1.232 19627 3202 1 8 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.435 0.204 19627 3203 1 8 . 1 1 73 73 GLU N N 73 112.572 112.572 116.316 -3.744 19627 3204 1 8 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.227 -0.621 19627 3205 1 8 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.334 0.757 19627 3206 1 8 . 1 1 73 73 GLU CB C 73 26.900 26.900 28.784 -1.883 19627 3207 1 8 . 1 1 74 74 HIS N N 74 118.561 118.561 113.725 4.836 19627 3208 1 8 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.657 0.215 19627 3209 1 8 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.341 0.150 19627 3210 1 8 . 1 1 74 74 HIS CB C 74 28.650 28.650 30.431 -1.781 19627 3211 1 8 . 1 1 75 75 CYS N N 75 126.459 126.459 122.206 4.253 19627 3212 1 8 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.206 0.844 19627 3213 1 8 . 1 1 75 75 CYS CA C 75 58.539 58.539 59.051 -0.512 19627 3214 1 8 . 1 1 75 75 CYS CB C 75 26.305 26.305 28.360 -2.055 19627 3215 1 8 . 1 1 76 76 THR N N 76 123.868 123.868 121.715 2.153 19627 3216 1 8 . 1 1 76 76 THR HA H 76 4.115 4.115 4.553 -0.438 19627 3217 1 8 . 1 1 76 76 THR CA C 76 62.701 62.701 62.599 0.102 19627 3218 1 8 . 1 1 76 76 THR CB C 76 68.451 68.451 70.557 -2.106 19627 3219 1 8 . 1 1 77 77 GLU N N 77 120.185 120.185 119.704 0.481 19627 3220 1 8 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.389 -0.214 19627 3221 1 8 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.428 -0.731 19627 3222 1 8 . 1 1 77 77 GLU CB C 77 34.100 34.100 31.919 2.181 19627 3223 1 8 . 1 1 78 78 GLN N N 78 118.401 118.401 118.166 0.235 19627 3224 1 8 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.991 -0.294 19627 3225 1 8 . 1 1 78 78 GLN CA C 78 53.933 53.933 55.236 -1.303 19627 3226 1 8 . 1 1 78 78 GLN CB C 78 31.842 31.842 30.980 0.862 19627 3227 1 8 . 1 1 79 79 TYR N N 79 116.069 116.069 121.028 -4.959 19627 3228 1 8 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.853 -0.003 19627 3229 1 8 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.072 -0.073 19627 3230 1 8 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.069 0.744 19627 3231 1 8 . 1 1 80 80 HIS N N 80 119.747 119.747 121.244 -1.497 19627 3232 1 8 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.534 0.639 19627 3233 1 8 . 1 1 80 80 HIS CA C 80 55.121 55.121 56.132 -1.010 19627 3234 1 8 . 1 1 80 80 HIS CB C 80 29.720 29.720 29.753 -0.033 19627 3235 1 8 . 1 1 81 81 ILE N N 81 126.268 126.268 127.527 -1.259 19627 3236 1 8 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.554 0.666 19627 3237 1 8 . 1 1 81 81 ILE CA C 81 61.739 61.739 61.633 0.106 19627 3238 1 8 . 1 1 81 81 ILE CB C 81 38.354 38.354 35.587 2.767 19627 3239 1 8 . 1 1 82 82 LEU N N 82 127.552 127.552 126.089 1.463 19627 3240 1 8 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.112 -0.018 19627 3241 1 8 . 1 1 82 82 LEU CA C 82 55.392 55.392 57.017 -1.625 19627 3242 1 8 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.188 0.927 19627 3243 1 8 . 1 1 83 83 LYS N N 83 115.809 115.809 114.861 0.948 19627 3244 1 8 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.511 -0.311 19627 3245 1 8 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.475 0.218 19627 3246 1 8 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.055 0.867 19627 3247 1 8 . 1 1 84 84 LEU N N 84 129.953 129.953 125.577 4.376 19627 3248 1 8 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.278 -0.444 19627 3249 1 8 . 1 1 84 84 LEU CA C 84 53.614 53.614 54.214 -0.600 19627 3250 1 8 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.111 -1.344 19627 3251 1 8 . 1 1 85 85 THR N N 85 119.648 119.648 116.515 3.133 19627 3252 1 8 . 1 1 85 85 THR HA H 85 4.897 4.897 4.999 -0.102 19627 3253 1 8 . 1 1 85 85 THR CA C 85 58.717 58.717 59.460 -0.743 19627 3254 1 8 . 1 1 85 85 THR CB C 85 72.356 72.356 71.942 0.414 19627 3255 1 8 . 1 1 86 86 SER N N 86 108.790 108.790 115.446 -6.656 19627 3256 1 8 . 1 1 86 86 SER HA H 86 4.165 4.165 4.233 -0.068 19627 3257 1 8 . 1 1 86 86 SER CA C 86 60.370 60.370 60.839 -0.469 19627 3258 1 8 . 1 1 86 86 SER CB C 86 63.258 63.258 63.168 0.090 19627 3259 1 8 . 1 1 87 87 LYS N N 87 116.161 116.161 114.064 2.097 19627 3260 1 8 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.484 0.030 19627 3261 1 8 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.149 0.330 19627 3262 1 8 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.566 1.798 19627 3263 1 8 . 1 1 88 88 GLU N N 88 119.485 119.485 122.271 -2.786 19627 3264 1 8 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.618 0.845 19627 3265 1 8 . 1 1 88 88 GLU CA C 88 55.595 55.595 56.103 -0.508 19627 3266 1 8 . 1 1 88 88 GLU CB C 88 35.601 35.601 32.666 2.934 19627 3267 1 8 . 1 1 89 89 MET N N 89 122.595 122.595 126.631 -4.036 19627 3268 1 8 . 1 1 89 89 MET HA H 89 4.940 4.940 4.974 -0.034 19627 3269 1 8 . 1 1 89 89 MET CA C 89 53.785 53.785 54.382 -0.597 19627 3270 1 8 . 1 1 89 89 MET CB C 89 36.210 36.210 35.431 0.779 19627 3271 1 8 . 1 1 90 90 LYS N N 90 124.449 124.449 127.979 -3.530 19627 3272 1 8 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.579 0.216 19627 3273 1 8 . 1 1 90 90 LYS CA C 90 55.353 55.353 56.109 -0.756 19627 3274 1 8 . 1 1 90 90 LYS CB C 90 36.763 36.763 32.538 4.226 19627 3275 1 8 . 1 1 91 91 TRP N N 91 125.457 125.457 126.702 -1.245 19627 3276 1 8 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.964 0.550 19627 3277 1 8 . 1 1 91 91 TRP CA C 91 52.510 52.510 56.044 -3.534 19627 3278 1 8 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.558 4.194 19627 3279 1 8 . 1 1 92 92 GLU N N 92 123.111 123.111 125.785 -2.674 19627 3280 1 8 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.620 0.255 19627 3281 1 8 . 1 1 92 92 GLU C C 92 176.109 176.109 176.168 -0.059 19627 3282 1 8 . 1 1 92 92 GLU CA C 92 53.610 53.610 54.255 -0.645 19627 3283 1 8 . 1 1 92 92 GLU CB C 92 33.384 33.384 32.772 0.612 19627 3284 1 8 . 1 1 93 93 ASN N N 93 126.757 126.757 122.941 3.816 19627 3285 1 8 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.307 0.096 19627 3286 1 8 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.748 -1.756 19627 3287 1 8 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.356 -0.753 19627 3288 1 8 . 1 1 94 94 ALA N N 94 130.509 130.509 118.745 11.764 19627 3289 1 8 . 1 1 94 94 ALA HA H 94 4.205 4.205 3.758 0.447 19627 3290 1 8 . 1 1 94 94 ALA CA C 94 52.062 52.062 53.798 -1.736 19627 3291 1 8 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.368 1.642 19627 3292 1 8 . 1 1 95 95 SER N N 95 114.601 114.601 115.398 -0.797 19627 3293 1 8 . 1 1 95 95 SER HA H 95 4.545 4.545 4.906 -0.361 19627 3294 1 8 . 1 1 95 95 SER CA C 95 54.544 54.544 54.646 -0.102 19627 3295 1 8 . 1 1 95 95 SER CB C 95 63.081 63.081 63.667 -0.586 19627 3296 1 8 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.548 -0.244 19627 3297 1 8 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.147 0.442 19627 3298 1 8 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.799 0.459 19627 3299 1 8 . 1 1 97 97 LYS N N 97 118.117 118.117 117.387 0.730 19627 3300 1 8 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.384 -0.236 19627 3301 1 8 . 1 1 97 97 LYS CA C 97 57.447 57.447 56.620 0.827 19627 3302 1 8 . 1 1 97 97 LYS CB C 97 31.991 31.991 32.801 -0.810 19627 3303 1 8 . 1 1 98 98 ASP N N 98 119.820 119.820 118.822 0.998 19627 3304 1 8 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.523 -0.198 19627 3305 1 8 . 1 1 98 98 ASP CA C 98 54.598 54.598 55.275 -0.677 19627 3306 1 8 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.547 -0.765 19627 3307 1 8 . 1 1 99 99 GLY N N 99 107.593 107.593 107.530 0.063 19627 3308 1 8 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.669 0.967 19627 3309 1 8 . 1 1 100 100 ASN N N 100 119.859 119.859 118.707 1.152 19627 3310 1 8 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.893 -0.173 19627 3311 1 8 . 1 1 100 100 ASN C C 100 175.832 175.832 174.212 1.620 19627 3312 1 8 . 1 1 100 100 ASN CA C 100 53.853 53.853 52.538 1.315 19627 3313 1 8 . 1 1 100 100 ASN CB C 100 38.772 38.772 40.499 -1.727 19627 3314 1 8 . 1 1 101 101 SER N N 101 117.380 117.380 111.961 5.419 19627 3315 1 8 . 1 1 101 101 SER HA H 101 4.533 4.533 4.672 -0.139 19627 3316 1 8 . 1 1 101 101 SER C C 101 175.075 175.075 172.670 2.405 19627 3317 1 8 . 1 1 101 101 SER CA C 101 57.658 57.658 57.653 0.005 19627 3318 1 8 . 1 1 101 101 SER CB C 101 64.927 64.927 66.494 -1.567 19627 3319 1 8 . 1 1 102 102 ASP N N 102 123.193 123.193 118.161 5.032 19627 3320 1 8 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.443 -0.837 19627 3321 1 8 . 1 1 102 102 ASP C C 102 177.297 177.297 175.402 1.895 19627 3322 1 8 . 1 1 102 102 ASP CA C 102 55.558 55.558 53.302 2.256 19627 3323 1 8 . 1 1 102 102 ASP CB C 102 40.668 40.668 41.965 -1.297 19627 3324 1 8 . 1 1 103 103 LYS N N 103 117.188 117.188 121.226 -4.038 19627 3325 1 8 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.973 0.424 19627 3326 1 8 . 1 1 103 103 LYS CA C 103 55.561 55.561 54.455 1.106 19627 3327 1 8 . 1 1 103 103 LYS CB C 103 39.951 39.951 35.526 4.425 19627 3328 1 8 . 1 1 104 104 ARG N N 104 122.088 122.088 119.161 2.927 19627 3329 1 8 . 1 1 104 104 ARG HA H 104 4.808 4.808 5.007 -0.199 19627 3330 1 8 . 1 1 104 104 ARG C C 104 174.517 174.517 175.881 -1.364 19627 3331 1 8 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.689 0.995 19627 3332 1 8 . 1 1 104 104 ARG CB C 104 33.949 33.949 30.518 3.430 19627 3333 1 8 . 1 1 105 105 LEU N N 105 126.226 126.226 126.384 -0.158 19627 3334 1 8 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.386 1.103 19627 3335 1 8 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.448 -0.306 19627 3336 1 8 . 1 1 105 105 LEU CB C 105 45.852 45.852 41.747 4.105 19627 3337 1 8 . 1 1 106 106 GLU N N 106 120.408 120.408 123.197 -2.789 19627 3338 1 8 . 1 1 106 106 GLU HA H 106 5.345 5.345 5.285 0.060 19627 3339 1 8 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.397 -1.149 19627 3340 1 8 . 1 1 106 106 GLU CB C 106 34.552 34.552 31.788 2.764 19627 3341 1 8 . 1 1 107 107 LYS N N 107 127.864 127.864 121.062 6.802 19627 3342 1 8 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.378 0.096 19627 3343 1 8 . 1 1 107 107 LYS CA C 107 56.904 56.904 56.819 0.085 19627 3344 1 8 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.688 -0.314 19627 3345 1 8 . 1 1 108 108 TYR N N 108 127.870 127.870 125.669 2.201 19627 3346 1 8 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.260 0.181 19627 3347 1 8 . 1 1 108 108 TYR CA C 108 57.519 57.519 59.058 -1.539 19627 3348 1 8 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.371 1.752 19627 3349 1 8 . 1 1 109 109 ASN N N 109 123.534 123.534 127.547 -4.013 19627 3350 1 8 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.463 0.113 19627 3351 1 8 . 1 1 109 109 ASN CA C 109 53.020 53.020 52.802 0.218 19627 3352 1 8 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.879 2.717 19627 3353 1 9 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.569 -0.049 19627 3354 1 9 . 1 1 2 2 ASP CA C 2 55.206 55.206 53.805 1.401 19627 3355 1 9 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.538 -0.313 19627 3356 1 9 . 1 1 3 3 GLU N N 3 119.869 119.869 120.321 -0.452 19627 3357 1 9 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.434 -0.235 19627 3358 1 9 . 1 1 3 3 GLU CA C 3 57.029 57.029 55.710 1.319 19627 3359 1 9 . 1 1 3 3 GLU CB C 3 29.820 29.820 30.178 -0.358 19627 3360 1 9 . 1 1 4 4 ASP N N 4 119.650 119.650 118.349 1.301 19627 3361 1 9 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.404 0.036 19627 3362 1 9 . 1 1 4 4 ASP CA C 4 55.118 55.118 55.337 -0.219 19627 3363 1 9 . 1 1 4 4 ASP CB C 4 41.245 41.245 40.349 0.896 19627 3364 1 9 . 1 1 5 5 ASP N N 5 119.339 119.339 112.600 6.739 19627 3365 1 9 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.649 -0.019 19627 3366 1 9 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.914 -0.153 19627 3367 1 9 . 1 1 5 5 ASP CB C 5 40.866 40.866 41.696 -0.830 19627 3368 1 9 . 1 1 6 6 LYS N N 6 121.265 121.265 120.467 0.798 19627 3369 1 9 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.513 -0.296 19627 3370 1 9 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.342 0.767 19627 3371 1 9 . 1 1 6 6 LYS CB C 6 33.916 33.916 33.971 -0.055 19627 3372 1 9 . 1 1 7 7 VAL N N 7 122.743 122.743 121.953 0.790 19627 3373 1 9 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.204 -0.152 19627 3374 1 9 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.617 -0.113 19627 3375 1 9 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.620 1.118 19627 3376 1 9 . 1 1 8 8 GLU N N 8 129.254 129.254 126.323 2.931 19627 3377 1 9 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.511 0.093 19627 3378 1 9 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.196 -1.113 19627 3379 1 9 . 1 1 8 8 GLU CB C 8 30.047 30.047 32.590 -2.543 19627 3380 1 9 . 1 1 9 9 ILE N N 9 123.662 123.662 123.621 0.041 19627 3381 1 9 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.078 -0.259 19627 3382 1 9 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.839 -1.413 19627 3383 1 9 . 1 1 9 9 ILE CB C 9 34.840 34.840 36.437 -1.597 19627 3384 1 9 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.461 -0.123 19627 3385 1 9 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.248 1.538 19627 3386 1 9 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.363 0.496 19627 3387 1 9 . 1 1 11 11 GLN N N 11 112.602 112.602 117.848 -5.246 19627 3388 1 9 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.191 0.031 19627 3389 1 9 . 1 1 11 11 GLN C C 11 176.461 176.461 178.035 -1.574 19627 3390 1 9 . 1 1 11 11 GLN CA C 11 55.805 55.805 58.621 -2.816 19627 3391 1 9 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.224 -0.363 19627 3392 1 9 . 1 1 12 12 LEU N N 12 119.555 119.555 121.765 -2.210 19627 3393 1 9 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.102 -0.194 19627 3394 1 9 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.959 0.157 19627 3395 1 9 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.879 1.424 19627 3396 1 9 . 1 1 13 13 VAL N N 13 112.720 112.720 115.318 -2.598 19627 3397 1 9 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.063 -0.311 19627 3398 1 9 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.274 0.443 19627 3399 1 9 . 1 1 13 13 VAL CB C 13 32.029 32.029 31.123 0.906 19627 3400 1 9 . 1 1 14 14 GLY N N 14 116.042 116.042 106.456 9.586 19627 3401 1 9 . 1 1 14 14 GLY CA C 14 43.751 43.751 43.909 -0.158 19627 3402 1 9 . 1 1 15 15 LYS N N 15 120.788 120.788 118.733 2.055 19627 3403 1 9 . 1 1 15 15 LYS HA H 15 5.185 5.185 5.052 0.133 19627 3404 1 9 . 1 1 15 15 LYS CA C 15 55.797 55.797 54.980 0.817 19627 3405 1 9 . 1 1 15 15 LYS CB C 15 35.159 35.159 35.873 -0.714 19627 3406 1 9 . 1 1 16 16 TRP N N 16 123.983 123.983 120.501 3.482 19627 3407 1 9 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.917 -0.002 19627 3408 1 9 . 1 1 16 16 TRP CA C 16 55.800 55.800 57.081 -1.280 19627 3409 1 9 . 1 1 16 16 TRP CB C 16 34.179 34.179 31.826 2.353 19627 3410 1 9 . 1 1 17 17 ILE N N 17 122.229 122.229 122.986 -0.757 19627 3411 1 9 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.397 0.495 19627 3412 1 9 . 1 1 17 17 ILE CA C 17 58.782 58.782 61.170 -2.388 19627 3413 1 9 . 1 1 17 17 ILE CB C 17 40.584 40.584 39.741 0.843 19627 3414 1 9 . 1 1 18 18 VAL N N 18 126.326 126.326 125.231 1.095 19627 3415 1 9 . 1 1 18 18 VAL HA H 18 3.841 3.841 3.991 -0.150 19627 3416 1 9 . 1 1 18 18 VAL CA C 18 64.643 64.643 61.922 2.721 19627 3417 1 9 . 1 1 18 18 VAL CB C 18 31.568 31.568 30.604 0.964 19627 3418 1 9 . 1 1 19 19 LYS N N 19 129.061 129.061 120.130 8.931 19627 3419 1 9 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.174 0.282 19627 3420 1 9 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.945 -2.421 19627 3421 1 9 . 1 1 19 19 LYS CB C 19 33.173 33.173 32.227 0.946 19627 3422 1 9 . 1 1 20 20 GLU N N 20 118.305 118.305 117.993 0.312 19627 3423 1 9 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.652 -0.262 19627 3424 1 9 . 1 1 20 20 GLU CA C 20 54.118 54.118 52.860 1.258 19627 3425 1 9 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.695 1.818 19627 3426 1 9 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.383 0.224 19627 3427 1 9 . 1 1 21 21 PRO CA C 21 62.630 62.630 63.042 -0.412 19627 3428 1 9 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.355 2.435 19627 3429 1 9 . 1 1 22 22 VAL N N 22 119.998 119.998 121.142 -1.144 19627 3430 1 9 . 1 1 22 22 VAL HA H 22 4.017 4.017 4.008 0.009 19627 3431 1 9 . 1 1 22 22 VAL CA C 22 62.374 62.374 61.366 1.008 19627 3432 1 9 . 1 1 22 22 VAL CB C 22 32.937 32.937 33.185 -0.248 19627 3433 1 9 . 1 1 23 23 LEU N N 23 128.343 128.343 125.497 2.846 19627 3434 1 9 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.549 -0.102 19627 3435 1 9 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.515 -0.325 19627 3436 1 9 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.520 0.307 19627 3437 1 9 . 1 1 24 24 GLN N N 24 117.971 117.971 119.412 -1.441 19627 3438 1 9 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.345 -0.085 19627 3439 1 9 . 1 1 24 24 GLN CA C 24 55.598 55.598 56.551 -0.953 19627 3440 1 9 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.364 0.740 19627 3441 1 9 . 1 1 25 25 ASP N N 25 117.501 117.501 118.142 -0.641 19627 3442 1 9 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.254 -0.048 19627 3443 1 9 . 1 1 25 25 ASP CA C 25 55.769 55.769 56.837 -1.068 19627 3444 1 9 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.189 -0.227 19627 3445 1 9 . 1 1 26 26 ASP N N 26 112.782 112.782 119.225 -6.443 19627 3446 1 9 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.671 -0.336 19627 3447 1 9 . 1 1 26 26 ASP CA C 26 55.159 55.159 53.521 1.638 19627 3448 1 9 . 1 1 26 26 ASP CB C 26 39.737 39.737 41.669 -1.932 19627 3449 1 9 . 1 1 27 27 PHE N N 27 118.623 118.623 122.290 -3.667 19627 3450 1 9 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.383 0.044 19627 3451 1 9 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.340 -1.329 19627 3452 1 9 . 1 1 27 27 PHE CB C 27 40.533 40.533 38.250 2.283 19627 3453 1 9 . 1 1 28 28 VAL N N 28 119.117 119.117 118.712 0.405 19627 3454 1 9 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.606 -0.106 19627 3455 1 9 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.120 0.780 19627 3456 1 9 . 1 1 28 28 VAL CB C 28 36.175 36.175 35.179 0.996 19627 3457 1 9 . 1 1 29 29 THR N N 29 124.304 124.304 118.175 6.129 19627 3458 1 9 . 1 1 29 29 THR HA H 29 5.212 5.212 4.694 0.518 19627 3459 1 9 . 1 1 29 29 THR CA C 29 62.051 62.051 61.715 0.336 19627 3460 1 9 . 1 1 29 29 THR CB C 29 70.541 70.541 71.860 -1.319 19627 3461 1 9 . 1 1 30 30 CYS N N 30 123.969 123.969 121.497 2.472 19627 3462 1 9 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.267 0.314 19627 3463 1 9 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.430 -0.364 19627 3464 1 9 . 1 1 30 30 CYS CB C 30 31.010 31.010 28.586 2.424 19627 3465 1 9 . 1 1 31 31 TYR N N 31 125.131 125.131 126.823 -1.692 19627 3466 1 9 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.682 0.483 19627 3467 1 9 . 1 1 31 31 TYR CA C 31 57.270 57.270 57.834 -0.564 19627 3468 1 9 . 1 1 31 31 TYR CB C 31 43.631 43.631 37.576 6.055 19627 3469 1 9 . 1 1 32 32 THR N N 32 118.682 118.682 118.814 -0.132 19627 3470 1 9 . 1 1 32 32 THR HA H 32 5.122 5.122 4.760 0.362 19627 3471 1 9 . 1 1 32 32 THR CA C 32 61.828 61.828 61.230 0.598 19627 3472 1 9 . 1 1 32 32 THR CB C 32 70.848 70.848 71.578 -0.730 19627 3473 1 9 . 1 1 33 33 PHE N N 33 123.161 123.161 122.521 0.640 19627 3474 1 9 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.966 -0.122 19627 3475 1 9 . 1 1 33 33 PHE CA C 33 57.983 57.983 56.683 1.300 19627 3476 1 9 . 1 1 33 33 PHE CB C 33 40.905 40.905 41.600 -0.695 19627 3477 1 9 . 1 1 34 34 ASN N N 34 119.699 119.699 121.596 -1.897 19627 3478 1 9 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.938 0.417 19627 3479 1 9 . 1 1 34 34 ASN CA C 34 52.483 52.483 53.318 -0.835 19627 3480 1 9 . 1 1 34 34 ASN CB C 34 41.443 41.443 40.754 0.689 19627 3481 1 9 . 1 1 35 35 ALA N N 35 128.044 128.044 122.865 5.179 19627 3482 1 9 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.124 0.043 19627 3483 1 9 . 1 1 35 35 ALA CA C 35 54.814 54.814 55.178 -0.364 19627 3484 1 9 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.065 -0.660 19627 3485 1 9 . 1 1 36 36 ASP N N 36 116.944 116.944 111.916 5.028 19627 3486 1 9 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.650 -0.213 19627 3487 1 9 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.458 -1.062 19627 3488 1 9 . 1 1 36 36 ASP CB C 36 39.512 39.512 40.505 -0.994 19627 3489 1 9 . 1 1 37 37 LYS N N 37 108.202 108.202 118.421 -10.219 19627 3490 1 9 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.233 -0.969 19627 3491 1 9 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.761 1.313 19627 3492 1 9 . 1 1 37 37 LYS CB C 37 27.597 27.597 32.456 -4.859 19627 3493 1 9 . 1 1 38 38 THR N N 38 107.877 107.877 111.576 -3.699 19627 3494 1 9 . 1 1 38 38 THR HA H 38 5.403 5.403 4.687 0.716 19627 3495 1 9 . 1 1 38 38 THR CA C 38 61.011 61.011 61.654 -0.643 19627 3496 1 9 . 1 1 38 38 THR CB C 38 72.829 72.829 69.831 2.998 19627 3497 1 9 . 1 1 39 39 TYR N N 39 117.837 117.837 118.575 -0.738 19627 3498 1 9 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.367 0.347 19627 3499 1 9 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.258 0.484 19627 3500 1 9 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.221 2.358 19627 3501 1 9 . 1 1 40 40 GLU N N 40 118.677 118.677 118.696 -0.019 19627 3502 1 9 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.367 -0.114 19627 3503 1 9 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.638 -0.579 19627 3504 1 9 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.307 0.648 19627 3505 1 9 . 1 1 41 41 VAL N N 41 121.838 121.838 120.579 1.259 19627 3506 1 9 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.612 0.547 19627 3507 1 9 . 1 1 41 41 VAL CA C 41 59.540 59.540 60.143 -0.603 19627 3508 1 9 . 1 1 41 41 VAL CB C 41 35.324 35.324 36.039 -0.715 19627 3509 1 9 . 1 1 42 42 TYR N N 42 126.740 126.740 121.522 5.218 19627 3510 1 9 . 1 1 42 42 TYR HA H 42 4.815 4.815 5.101 -0.286 19627 3511 1 9 . 1 1 42 42 TYR CA C 42 56.841 56.841 56.674 0.167 19627 3512 1 9 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.299 1.994 19627 3513 1 9 . 1 1 43 43 THR N N 43 122.111 122.111 116.945 5.166 19627 3514 1 9 . 1 1 43 43 THR HA H 43 5.126 5.126 4.894 0.232 19627 3515 1 9 . 1 1 43 43 THR CA C 43 60.915 60.915 60.994 -0.079 19627 3516 1 9 . 1 1 43 43 THR CB C 43 70.667 70.667 71.199 -0.532 19627 3517 1 9 . 1 1 44 44 GLY N N 44 112.123 112.123 115.056 -2.933 19627 3518 1 9 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.719 -0.681 19627 3519 1 9 . 1 1 45 45 SER N N 45 118.181 118.181 119.780 -1.599 19627 3520 1 9 . 1 1 45 45 SER HA H 45 4.736 4.736 4.887 -0.151 19627 3521 1 9 . 1 1 45 45 SER CA C 45 55.721 55.721 55.634 0.087 19627 3522 1 9 . 1 1 45 45 SER CB C 45 64.234 64.234 65.480 -1.246 19627 3523 1 9 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.619 -0.341 19627 3524 1 9 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.287 0.616 19627 3525 1 9 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.282 -0.182 19627 3526 1 9 . 1 1 47 47 LEU N N 47 115.053 115.053 116.576 -1.523 19627 3527 1 9 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.612 -0.336 19627 3528 1 9 . 1 1 47 47 LEU CA C 47 54.820 54.820 55.250 -0.430 19627 3529 1 9 . 1 1 47 47 LEU CB C 47 42.497 42.497 43.490 -0.993 19627 3530 1 9 . 1 1 48 48 SER N N 48 114.930 114.930 114.335 0.595 19627 3531 1 9 . 1 1 48 48 SER HA H 48 4.418 4.418 4.604 -0.186 19627 3532 1 9 . 1 1 48 48 SER CA C 48 57.896 57.896 58.027 -0.131 19627 3533 1 9 . 1 1 48 48 SER CB C 48 64.328 64.328 64.578 -0.250 19627 3534 1 9 . 1 1 49 49 ASN N N 49 121.801 121.801 121.521 0.280 19627 3535 1 9 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.093 0.590 19627 3536 1 9 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.691 -0.444 19627 3537 1 9 . 1 1 49 49 ASN CB C 49 39.147 39.147 38.189 0.958 19627 3538 1 9 . 1 1 50 50 GLY N N 50 108.685 108.685 108.931 -0.246 19627 3539 1 9 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.948 -0.899 19627 3540 1 9 . 1 1 51 51 VAL N N 51 121.162 121.162 121.850 -0.688 19627 3541 1 9 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.468 -0.074 19627 3542 1 9 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.686 -0.028 19627 3543 1 9 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.419 1.065 19627 3544 1 9 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.533 0.128 19627 3545 1 9 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.377 0.516 19627 3546 1 9 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.592 0.304 19627 3547 1 9 . 1 1 53 53 PHE N N 53 123.537 123.537 120.988 2.549 19627 3548 1 9 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.823 -0.245 19627 3549 1 9 . 1 1 53 53 PHE CA C 53 57.762 57.762 56.222 1.540 19627 3550 1 9 . 1 1 53 53 PHE CB C 53 40.652 40.652 43.086 -2.434 19627 3551 1 9 . 1 1 54 54 ARG N N 54 124.570 124.570 121.458 3.112 19627 3552 1 9 . 1 1 54 54 ARG HA H 54 4.894 4.894 5.276 -0.382 19627 3553 1 9 . 1 1 54 54 ARG CA C 54 54.601 54.601 53.579 1.022 19627 3554 1 9 . 1 1 54 54 ARG CB C 54 33.401 33.401 33.915 -0.514 19627 3555 1 9 . 1 1 55 55 GLY N N 55 107.998 107.998 106.477 1.521 19627 3556 1 9 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.527 0.015 19627 3557 1 9 . 1 1 56 56 THR N N 56 114.021 114.021 115.592 -1.571 19627 3558 1 9 . 1 1 56 56 THR HA H 56 5.777 5.777 5.028 0.749 19627 3559 1 9 . 1 1 56 56 THR CA C 56 60.409 60.409 60.856 -0.447 19627 3560 1 9 . 1 1 56 56 THR CB C 56 72.641 72.641 71.605 1.036 19627 3561 1 9 . 1 1 57 57 TYR N N 57 115.684 115.684 122.773 -7.089 19627 3562 1 9 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.037 1.219 19627 3563 1 9 . 1 1 57 57 TYR CA C 57 55.645 55.645 56.188 -0.543 19627 3564 1 9 . 1 1 57 57 TYR CB C 57 43.352 43.352 40.072 3.280 19627 3565 1 9 . 1 1 58 58 ILE N N 58 118.048 118.048 125.274 -7.226 19627 3566 1 9 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.420 -0.065 19627 3567 1 9 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.215 -0.206 19627 3568 1 9 . 1 1 58 58 ILE CB C 58 42.925 42.925 40.221 2.704 19627 3569 1 9 . 1 1 59 59 ILE N N 59 124.887 124.887 125.834 -0.947 19627 3570 1 9 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.290 0.714 19627 3571 1 9 . 1 1 59 59 ILE CA C 59 58.275 58.275 60.199 -1.924 19627 3572 1 9 . 1 1 59 59 ILE CB C 59 40.709 40.709 37.258 3.451 19627 3573 1 9 . 1 1 60 60 SER N N 60 122.768 122.768 118.385 4.383 19627 3574 1 9 . 1 1 60 60 SER HA H 60 4.835 4.835 4.502 0.333 19627 3575 1 9 . 1 1 60 60 SER CA C 60 55.735 55.735 58.073 -2.338 19627 3576 1 9 . 1 1 60 60 SER CB C 60 63.250 63.250 64.374 -1.124 19627 3577 1 9 . 1 1 61 61 LEU N N 61 129.303 129.303 120.893 8.410 19627 3578 1 9 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.105 -0.259 19627 3579 1 9 . 1 1 61 61 LEU CA C 61 58.659 58.659 57.769 0.890 19627 3580 1 9 . 1 1 61 61 LEU CB C 61 41.962 41.962 40.687 1.275 19627 3581 1 9 . 1 1 62 62 ASP N N 62 118.454 118.454 115.652 2.802 19627 3582 1 9 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.711 -0.408 19627 3583 1 9 . 1 1 62 62 ASP CA C 62 57.114 57.114 54.756 2.358 19627 3584 1 9 . 1 1 62 62 ASP CB C 62 40.178 40.178 41.174 -0.996 19627 3585 1 9 . 1 1 63 63 GLU N N 63 115.083 115.083 119.077 -3.994 19627 3586 1 9 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.404 -0.173 19627 3587 1 9 . 1 1 63 63 GLU CA C 63 55.915 55.915 56.579 -0.664 19627 3588 1 9 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.890 1.508 19627 3589 1 9 . 1 1 64 64 LYS N N 64 117.578 117.578 119.165 -1.587 19627 3590 1 9 . 1 1 65 65 LEU N N 65 119.527 119.527 113.496 6.031 19627 3591 1 9 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.568 0.582 19627 3592 1 9 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.424 -0.069 19627 3593 1 9 . 1 1 65 65 LEU CB C 65 47.627 47.627 45.837 1.790 19627 3594 1 9 . 1 1 66 66 ILE N N 66 123.527 123.527 119.259 4.268 19627 3595 1 9 . 1 1 66 66 ILE HA H 66 5.003 5.003 4.953 0.050 19627 3596 1 9 . 1 1 66 66 ILE CA C 66 58.348 58.348 59.546 -1.198 19627 3597 1 9 . 1 1 66 66 ILE CB C 66 42.093 42.093 41.196 0.897 19627 3598 1 9 . 1 1 67 67 LYS N N 67 125.168 125.168 128.354 -3.186 19627 3599 1 9 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.955 -0.548 19627 3600 1 9 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.276 1.006 19627 3601 1 9 . 1 1 67 67 LYS CB C 67 36.248 36.248 34.861 1.387 19627 3602 1 9 . 1 1 68 68 LEU N N 68 123.218 123.218 124.928 -1.710 19627 3603 1 9 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.612 0.185 19627 3604 1 9 . 1 1 68 68 LEU CA C 68 54.830 54.830 54.952 -0.122 19627 3605 1 9 . 1 1 68 68 LEU CB C 68 40.826 40.826 42.751 -1.925 19627 3606 1 9 . 1 1 69 69 TYR N N 69 119.751 119.751 122.212 -2.461 19627 3607 1 9 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.424 0.000 19627 3608 1 9 . 1 1 69 69 TYR CA C 69 57.166 57.166 56.474 0.692 19627 3609 1 9 . 1 1 69 69 TYR CB C 69 42.319 42.319 41.361 0.958 19627 3610 1 9 . 1 1 70 70 ASP N N 70 120.335 120.335 119.533 0.802 19627 3611 1 9 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.175 -0.133 19627 3612 1 9 . 1 1 70 70 ASP CA C 70 52.428 52.428 51.869 0.559 19627 3613 1 9 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.303 -0.093 19627 3614 1 9 . 1 1 71 71 LYS N N 71 117.975 117.975 118.011 -0.036 19627 3615 1 9 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.178 0.027 19627 3616 1 9 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.516 -0.327 19627 3617 1 9 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.911 0.313 19627 3618 1 9 . 1 1 72 72 GLU N N 72 119.779 119.779 118.433 1.346 19627 3619 1 9 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.440 -0.164 19627 3620 1 9 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.173 -0.350 19627 3621 1 9 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.965 -0.326 19627 3622 1 9 . 1 1 73 73 GLU N N 73 112.572 112.572 116.173 -3.601 19627 3623 1 9 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.220 -0.614 19627 3624 1 9 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.581 0.510 19627 3625 1 9 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.274 -0.374 19627 3626 1 9 . 1 1 74 74 HIS N N 74 118.561 118.561 113.601 4.960 19627 3627 1 9 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.846 0.026 19627 3628 1 9 . 1 1 74 74 HIS CA C 74 54.491 54.491 53.531 0.960 19627 3629 1 9 . 1 1 74 74 HIS CB C 74 28.650 28.650 31.284 -2.634 19627 3630 1 9 . 1 1 75 75 CYS N N 75 126.459 126.459 119.023 7.436 19627 3631 1 9 . 1 1 75 75 CYS HA H 75 4.050 4.050 4.266 -0.216 19627 3632 1 9 . 1 1 75 75 CYS CA C 75 58.539 58.539 58.041 0.498 19627 3633 1 9 . 1 1 75 75 CYS CB C 75 26.305 26.305 27.874 -1.569 19627 3634 1 9 . 1 1 76 76 THR N N 76 123.868 123.868 119.636 4.232 19627 3635 1 9 . 1 1 76 76 THR HA H 76 4.115 4.115 4.449 -0.334 19627 3636 1 9 . 1 1 76 76 THR CA C 76 62.701 62.701 62.288 0.413 19627 3637 1 9 . 1 1 76 76 THR CB C 76 68.451 68.451 69.337 -0.886 19627 3638 1 9 . 1 1 77 77 GLU N N 77 120.185 120.185 119.028 1.157 19627 3639 1 9 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.503 -0.328 19627 3640 1 9 . 1 1 77 77 GLU CA C 77 54.697 54.697 54.828 -0.131 19627 3641 1 9 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.541 0.559 19627 3642 1 9 . 1 1 78 78 GLN N N 78 118.401 118.401 118.500 -0.099 19627 3643 1 9 . 1 1 78 78 GLN HA H 78 4.697 4.697 5.026 -0.329 19627 3644 1 9 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.455 -0.522 19627 3645 1 9 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.545 -0.703 19627 3646 1 9 . 1 1 79 79 TYR N N 79 116.069 116.069 118.060 -1.991 19627 3647 1 9 . 1 1 79 79 TYR HA H 79 4.850 4.850 5.044 -0.194 19627 3648 1 9 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.508 -0.509 19627 3649 1 9 . 1 1 79 79 TYR CB C 79 41.813 41.813 42.232 -0.419 19627 3650 1 9 . 1 1 80 80 HIS N N 80 119.747 119.747 121.960 -2.213 19627 3651 1 9 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.704 0.469 19627 3652 1 9 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.086 0.035 19627 3653 1 9 . 1 1 80 80 HIS CB C 80 29.720 29.720 30.720 -1.000 19627 3654 1 9 . 1 1 81 81 ILE N N 81 126.268 126.268 127.826 -1.558 19627 3655 1 9 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.648 0.572 19627 3656 1 9 . 1 1 81 81 ILE CA C 81 61.739 61.739 63.117 -1.378 19627 3657 1 9 . 1 1 81 81 ILE CB C 81 38.354 38.354 37.166 1.188 19627 3658 1 9 . 1 1 82 82 LEU N N 82 127.552 127.552 128.957 -1.405 19627 3659 1 9 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.374 -0.280 19627 3660 1 9 . 1 1 82 82 LEU CA C 82 55.392 55.392 56.273 -0.881 19627 3661 1 9 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.879 0.236 19627 3662 1 9 . 1 1 83 83 LYS N N 83 115.809 115.809 115.829 -0.020 19627 3663 1 9 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.590 -0.390 19627 3664 1 9 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.143 0.550 19627 3665 1 9 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.367 0.555 19627 3666 1 9 . 1 1 84 84 LEU N N 84 129.953 129.953 122.915 7.038 19627 3667 1 9 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.247 -0.413 19627 3668 1 9 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.086 0.528 19627 3669 1 9 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.125 -1.358 19627 3670 1 9 . 1 1 85 85 THR N N 85 119.648 119.648 114.503 5.145 19627 3671 1 9 . 1 1 85 85 THR HA H 85 4.897 4.897 4.987 -0.090 19627 3672 1 9 . 1 1 85 85 THR CA C 85 58.717 58.717 59.849 -1.132 19627 3673 1 9 . 1 1 85 85 THR CB C 85 72.356 72.356 71.225 1.131 19627 3674 1 9 . 1 1 86 86 SER N N 86 108.790 108.790 114.173 -5.383 19627 3675 1 9 . 1 1 86 86 SER HA H 86 4.165 4.165 4.369 -0.204 19627 3676 1 9 . 1 1 86 86 SER CA C 86 60.370 60.370 60.628 -0.258 19627 3677 1 9 . 1 1 86 86 SER CB C 86 63.258 63.258 63.432 -0.174 19627 3678 1 9 . 1 1 87 87 LYS N N 87 116.161 116.161 115.514 0.647 19627 3679 1 9 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.446 0.068 19627 3680 1 9 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.390 0.089 19627 3681 1 9 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.584 1.780 19627 3682 1 9 . 1 1 88 88 GLU N N 88 119.485 119.485 121.013 -1.528 19627 3683 1 9 . 1 1 88 88 GLU HA H 88 5.463 5.463 5.115 0.348 19627 3684 1 9 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.449 0.146 19627 3685 1 9 . 1 1 88 88 GLU CB C 88 35.601 35.601 34.136 1.465 19627 3686 1 9 . 1 1 89 89 MET N N 89 122.595 122.595 126.024 -3.429 19627 3687 1 9 . 1 1 89 89 MET HA H 89 4.940 4.940 4.902 0.038 19627 3688 1 9 . 1 1 89 89 MET CA C 89 53.785 53.785 54.820 -1.035 19627 3689 1 9 . 1 1 89 89 MET CB C 89 36.210 36.210 35.935 0.275 19627 3690 1 9 . 1 1 90 90 LYS N N 90 124.449 124.449 128.300 -3.851 19627 3691 1 9 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.747 0.048 19627 3692 1 9 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.155 0.198 19627 3693 1 9 . 1 1 90 90 LYS CB C 90 36.763 36.763 32.984 3.779 19627 3694 1 9 . 1 1 91 91 TRP N N 91 125.457 125.457 127.116 -1.659 19627 3695 1 9 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.936 0.578 19627 3696 1 9 . 1 1 91 91 TRP CA C 91 52.510 52.510 56.070 -3.560 19627 3697 1 9 . 1 1 91 91 TRP CB C 91 34.752 34.752 29.648 5.104 19627 3698 1 9 . 1 1 92 92 GLU N N 92 123.111 123.111 124.975 -1.864 19627 3699 1 9 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.363 0.512 19627 3700 1 9 . 1 1 92 92 GLU C C 92 176.109 176.109 177.202 -1.093 19627 3701 1 9 . 1 1 92 92 GLU CA C 92 53.610 53.610 56.039 -2.429 19627 3702 1 9 . 1 1 92 92 GLU CB C 92 33.384 33.384 32.280 1.104 19627 3703 1 9 . 1 1 93 93 ASN N N 93 126.757 126.757 120.104 6.653 19627 3704 1 9 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.482 -0.079 19627 3705 1 9 . 1 1 93 93 ASN CA C 93 54.992 54.992 57.183 -2.191 19627 3706 1 9 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.380 -0.777 19627 3707 1 9 . 1 1 94 94 ALA N N 94 130.509 130.509 119.946 10.563 19627 3708 1 9 . 1 1 94 94 ALA HA H 94 4.205 4.205 3.924 0.281 19627 3709 1 9 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.168 -2.106 19627 3710 1 9 . 1 1 94 94 ALA CB C 94 19.010 19.010 16.955 2.055 19627 3711 1 9 . 1 1 95 95 SER N N 95 114.601 114.601 114.130 0.471 19627 3712 1 9 . 1 1 95 95 SER HA H 95 4.545 4.545 4.763 -0.218 19627 3713 1 9 . 1 1 95 95 SER CA C 95 54.544 54.544 54.756 -0.212 19627 3714 1 9 . 1 1 95 95 SER CB C 95 63.081 63.081 63.591 -0.510 19627 3715 1 9 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.311 -0.007 19627 3716 1 9 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.326 0.263 19627 3717 1 9 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.552 0.706 19627 3718 1 9 . 1 1 97 97 LYS N N 97 118.117 118.117 118.062 0.055 19627 3719 1 9 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.083 0.065 19627 3720 1 9 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.708 -1.261 19627 3721 1 9 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.182 0.809 19627 3722 1 9 . 1 1 98 98 ASP N N 98 119.820 119.820 119.173 0.647 19627 3723 1 9 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.547 -0.222 19627 3724 1 9 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.618 -0.020 19627 3725 1 9 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.518 -0.736 19627 3726 1 9 . 1 1 99 99 GLY N N 99 107.593 107.593 108.645 -1.052 19627 3727 1 9 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.578 1.058 19627 3728 1 9 . 1 1 100 100 ASN N N 100 119.859 119.859 120.083 -0.224 19627 3729 1 9 . 1 1 100 100 ASN HA H 100 4.720 4.720 5.013 -0.293 19627 3730 1 9 . 1 1 100 100 ASN C C 100 175.832 175.832 173.718 2.114 19627 3731 1 9 . 1 1 100 100 ASN CA C 100 53.853 53.853 51.949 1.904 19627 3732 1 9 . 1 1 100 100 ASN CB C 100 38.772 38.772 40.730 -1.958 19627 3733 1 9 . 1 1 101 101 SER N N 101 117.380 117.380 113.857 3.523 19627 3734 1 9 . 1 1 101 101 SER HA H 101 4.533 4.533 4.850 -0.317 19627 3735 1 9 . 1 1 101 101 SER C C 101 175.075 175.075 173.328 1.747 19627 3736 1 9 . 1 1 101 101 SER CA C 101 57.658 57.658 57.813 -0.155 19627 3737 1 9 . 1 1 101 101 SER CB C 101 64.927 64.927 65.818 -0.891 19627 3738 1 9 . 1 1 102 102 ASP N N 102 123.193 123.193 124.044 -0.851 19627 3739 1 9 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.117 -0.511 19627 3740 1 9 . 1 1 102 102 ASP C C 102 177.297 177.297 176.289 1.008 19627 3741 1 9 . 1 1 102 102 ASP CA C 102 55.558 55.558 52.575 2.983 19627 3742 1 9 . 1 1 102 102 ASP CB C 102 40.668 40.668 40.305 0.363 19627 3743 1 9 . 1 1 103 103 LYS N N 103 117.188 117.188 119.922 -2.734 19627 3744 1 9 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.516 0.881 19627 3745 1 9 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.819 -0.258 19627 3746 1 9 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.112 6.839 19627 3747 1 9 . 1 1 104 104 ARG N N 104 122.088 122.088 118.163 3.925 19627 3748 1 9 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.874 -0.066 19627 3749 1 9 . 1 1 104 104 ARG C C 104 174.517 174.517 175.597 -1.080 19627 3750 1 9 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.953 0.731 19627 3751 1 9 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.592 2.357 19627 3752 1 9 . 1 1 105 105 LEU N N 105 126.226 126.226 125.322 0.904 19627 3753 1 9 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.490 0.999 19627 3754 1 9 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.017 0.125 19627 3755 1 9 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.589 3.263 19627 3756 1 9 . 1 1 106 106 GLU N N 106 120.408 120.408 120.513 -0.105 19627 3757 1 9 . 1 1 106 106 GLU HA H 106 5.345 5.345 5.104 0.241 19627 3758 1 9 . 1 1 106 106 GLU CA C 106 54.248 54.248 54.646 -0.398 19627 3759 1 9 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.690 4.862 19627 3760 1 9 . 1 1 107 107 LYS N N 107 127.864 127.864 119.528 8.336 19627 3761 1 9 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.407 0.067 19627 3762 1 9 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.806 -0.902 19627 3763 1 9 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.053 0.320 19627 3764 1 9 . 1 1 108 108 TYR N N 108 127.870 127.870 122.628 5.242 19627 3765 1 9 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.571 -0.130 19627 3766 1 9 . 1 1 108 108 TYR CA C 108 57.519 57.519 55.661 1.857 19627 3767 1 9 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.041 2.082 19627 3768 1 9 . 1 1 109 109 ASN N N 109 123.534 123.534 121.293 2.241 19627 3769 1 9 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.252 0.324 19627 3770 1 9 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.954 -0.934 19627 3771 1 9 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.629 2.967 19627 3772 1 10 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.499 0.021 19627 3773 1 10 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.345 0.861 19627 3774 1 10 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.370 -0.145 19627 3775 1 10 . 1 1 3 3 GLU N N 3 119.869 119.869 121.846 -1.977 19627 3776 1 10 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.110 0.089 19627 3777 1 10 . 1 1 3 3 GLU CA C 3 57.029 57.029 57.344 -0.315 19627 3778 1 10 . 1 1 3 3 GLU CB C 3 29.820 29.820 27.678 2.142 19627 3779 1 10 . 1 1 4 4 ASP N N 4 119.650 119.650 117.629 2.021 19627 3780 1 10 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.833 -0.393 19627 3781 1 10 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.094 1.024 19627 3782 1 10 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.940 -0.695 19627 3783 1 10 . 1 1 5 5 ASP N N 5 119.339 119.339 118.835 0.504 19627 3784 1 10 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.890 -0.260 19627 3785 1 10 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.903 -0.142 19627 3786 1 10 . 1 1 5 5 ASP CB C 5 40.866 40.866 40.677 0.189 19627 3787 1 10 . 1 1 6 6 LYS N N 6 121.265 121.265 119.337 1.928 19627 3788 1 10 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.789 -0.572 19627 3789 1 10 . 1 1 6 6 LYS CA C 6 56.109 56.109 54.376 1.733 19627 3790 1 10 . 1 1 6 6 LYS CB C 6 33.916 33.916 36.437 -2.521 19627 3791 1 10 . 1 1 7 7 VAL N N 7 122.743 122.743 120.489 2.254 19627 3792 1 10 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.593 -0.542 19627 3793 1 10 . 1 1 7 7 VAL CA C 7 62.504 62.504 61.086 1.418 19627 3794 1 10 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.099 1.639 19627 3795 1 10 . 1 1 8 8 GLU N N 8 129.254 129.254 128.052 1.202 19627 3796 1 10 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.581 0.023 19627 3797 1 10 . 1 1 8 8 GLU CA C 8 54.083 54.083 54.864 -0.780 19627 3798 1 10 . 1 1 8 8 GLU CB C 8 30.047 30.047 32.895 -2.848 19627 3799 1 10 . 1 1 9 9 ILE N N 9 123.662 123.662 122.479 1.183 19627 3800 1 10 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.140 -0.321 19627 3801 1 10 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.464 -1.038 19627 3802 1 10 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.484 -0.644 19627 3803 1 10 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.359 -0.021 19627 3804 1 10 . 1 1 10 10 PRO CA C 10 65.786 65.786 65.121 0.665 19627 3805 1 10 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.233 0.626 19627 3806 1 10 . 1 1 11 11 GLN N N 11 112.602 112.602 117.402 -4.800 19627 3807 1 10 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.272 -0.050 19627 3808 1 10 . 1 1 11 11 GLN C C 11 176.461 176.461 177.962 -1.501 19627 3809 1 10 . 1 1 11 11 GLN CA C 11 55.805 55.805 58.037 -2.232 19627 3810 1 10 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.205 -0.344 19627 3811 1 10 . 1 1 12 12 LEU N N 12 119.555 119.555 121.762 -2.207 19627 3812 1 10 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.184 -0.276 19627 3813 1 10 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.650 0.465 19627 3814 1 10 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.984 1.319 19627 3815 1 10 . 1 1 13 13 VAL N N 13 112.720 112.720 116.010 -3.290 19627 3816 1 10 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.023 -0.271 19627 3817 1 10 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.553 0.164 19627 3818 1 10 . 1 1 13 13 VAL CB C 13 32.029 32.029 31.435 0.594 19627 3819 1 10 . 1 1 14 14 GLY N N 14 116.042 116.042 107.628 8.414 19627 3820 1 10 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.556 -0.805 19627 3821 1 10 . 1 1 15 15 LYS N N 15 120.788 120.788 117.986 2.802 19627 3822 1 10 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.438 0.747 19627 3823 1 10 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.150 -0.353 19627 3824 1 10 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.264 0.895 19627 3825 1 10 . 1 1 16 16 TRP N N 16 123.983 123.983 119.715 4.268 19627 3826 1 10 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.920 -0.005 19627 3827 1 10 . 1 1 16 16 TRP CA C 16 55.800 55.800 57.051 -1.251 19627 3828 1 10 . 1 1 16 16 TRP CB C 16 34.179 34.179 32.084 2.095 19627 3829 1 10 . 1 1 17 17 ILE N N 17 122.229 122.229 123.641 -1.412 19627 3830 1 10 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.702 0.190 19627 3831 1 10 . 1 1 17 17 ILE CA C 17 58.782 58.782 59.923 -1.141 19627 3832 1 10 . 1 1 17 17 ILE CB C 17 40.584 40.584 41.189 -0.605 19627 3833 1 10 . 1 1 18 18 VAL N N 18 126.326 126.326 127.026 -0.700 19627 3834 1 10 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.011 -0.170 19627 3835 1 10 . 1 1 18 18 VAL CA C 18 64.643 64.643 63.697 0.946 19627 3836 1 10 . 1 1 18 18 VAL CB C 18 31.568 31.568 30.523 1.046 19627 3837 1 10 . 1 1 19 19 LYS N N 19 129.061 129.061 120.824 8.237 19627 3838 1 10 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.215 0.241 19627 3839 1 10 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.723 -2.199 19627 3840 1 10 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.830 2.343 19627 3841 1 10 . 1 1 20 20 GLU N N 20 118.305 118.305 119.551 -1.246 19627 3842 1 10 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.617 -0.227 19627 3843 1 10 . 1 1 20 20 GLU CA C 20 54.118 54.118 54.621 -0.503 19627 3844 1 10 . 1 1 20 20 GLU CB C 20 33.513 33.513 32.238 1.275 19627 3845 1 10 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.429 0.178 19627 3846 1 10 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.628 0.002 19627 3847 1 10 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.364 2.426 19627 3848 1 10 . 1 1 22 22 VAL N N 22 119.998 119.998 119.498 0.500 19627 3849 1 10 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.945 0.072 19627 3850 1 10 . 1 1 22 22 VAL CA C 22 62.374 62.374 62.587 -0.213 19627 3851 1 10 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.279 0.658 19627 3852 1 10 . 1 1 23 23 LEU N N 23 128.343 128.343 123.409 4.934 19627 3853 1 10 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.549 -0.102 19627 3854 1 10 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.090 0.100 19627 3855 1 10 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.776 0.052 19627 3856 1 10 . 1 1 24 24 GLN N N 24 117.971 117.971 119.775 -1.804 19627 3857 1 10 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.245 0.015 19627 3858 1 10 . 1 1 24 24 GLN CA C 24 55.598 55.598 56.602 -1.004 19627 3859 1 10 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.321 0.783 19627 3860 1 10 . 1 1 25 25 ASP N N 25 117.501 117.501 117.867 -0.366 19627 3861 1 10 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.450 -0.244 19627 3862 1 10 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.334 0.435 19627 3863 1 10 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.555 -0.593 19627 3864 1 10 . 1 1 26 26 ASP N N 26 112.782 112.782 115.178 -2.396 19627 3865 1 10 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.292 0.043 19627 3866 1 10 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.758 -0.599 19627 3867 1 10 . 1 1 26 26 ASP CB C 26 39.737 39.737 39.730 0.007 19627 3868 1 10 . 1 1 27 27 PHE N N 27 118.623 118.623 118.860 -0.237 19627 3869 1 10 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.420 0.007 19627 3870 1 10 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.480 -1.470 19627 3871 1 10 . 1 1 27 27 PHE CB C 27 40.533 40.533 40.100 0.433 19627 3872 1 10 . 1 1 28 28 VAL N N 28 119.117 119.117 114.961 4.156 19627 3873 1 10 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.511 -0.011 19627 3874 1 10 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.016 0.884 19627 3875 1 10 . 1 1 28 28 VAL CB C 28 36.175 36.175 35.302 0.873 19627 3876 1 10 . 1 1 29 29 THR N N 29 124.304 124.304 115.355 8.949 19627 3877 1 10 . 1 1 29 29 THR HA H 29 5.212 5.212 4.549 0.663 19627 3878 1 10 . 1 1 29 29 THR CA C 29 62.051 62.051 61.156 0.895 19627 3879 1 10 . 1 1 29 29 THR CB C 29 70.541 70.541 71.355 -0.814 19627 3880 1 10 . 1 1 30 30 CYS N N 30 123.969 123.969 119.077 4.892 19627 3881 1 10 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.695 -0.114 19627 3882 1 10 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.272 -0.206 19627 3883 1 10 . 1 1 30 30 CYS CB C 30 31.010 31.010 31.962 -0.952 19627 3884 1 10 . 1 1 31 31 TYR N N 31 125.131 125.131 119.675 5.456 19627 3885 1 10 . 1 1 31 31 TYR HA H 31 5.165 5.165 5.085 0.080 19627 3886 1 10 . 1 1 31 31 TYR CA C 31 57.270 57.270 57.330 -0.060 19627 3887 1 10 . 1 1 31 31 TYR CB C 31 43.631 43.631 41.107 2.524 19627 3888 1 10 . 1 1 32 32 THR N N 32 118.682 118.682 120.066 -1.384 19627 3889 1 10 . 1 1 32 32 THR HA H 32 5.122 5.122 4.750 0.372 19627 3890 1 10 . 1 1 32 32 THR CA C 32 61.828 61.828 61.754 0.074 19627 3891 1 10 . 1 1 32 32 THR CB C 32 70.848 70.848 70.153 0.695 19627 3892 1 10 . 1 1 33 33 PHE N N 33 123.161 123.161 124.281 -1.120 19627 3893 1 10 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.915 -0.071 19627 3894 1 10 . 1 1 33 33 PHE CA C 33 57.983 57.983 57.550 0.433 19627 3895 1 10 . 1 1 33 33 PHE CB C 33 40.905 40.905 41.280 -0.375 19627 3896 1 10 . 1 1 34 34 ASN N N 34 119.699 119.699 119.298 0.401 19627 3897 1 10 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.990 0.365 19627 3898 1 10 . 1 1 34 34 ASN CA C 34 52.483 52.483 53.073 -0.590 19627 3899 1 10 . 1 1 34 34 ASN CB C 34 41.443 41.443 40.772 0.671 19627 3900 1 10 . 1 1 35 35 ALA N N 35 128.044 128.044 120.723 7.321 19627 3901 1 10 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.147 0.020 19627 3902 1 10 . 1 1 35 35 ALA CA C 35 54.814 54.814 55.051 -0.237 19627 3903 1 10 . 1 1 35 35 ALA CB C 35 18.405 18.405 18.941 -0.536 19627 3904 1 10 . 1 1 36 36 ASP N N 36 116.944 116.944 109.857 7.087 19627 3905 1 10 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.750 -0.313 19627 3906 1 10 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.285 -0.890 19627 3907 1 10 . 1 1 36 36 ASP CB C 36 39.512 39.512 40.736 -1.224 19627 3908 1 10 . 1 1 37 37 LYS N N 37 108.202 108.202 118.503 -10.301 19627 3909 1 10 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.349 -1.085 19627 3910 1 10 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.084 1.990 19627 3911 1 10 . 1 1 37 37 LYS CB C 37 27.597 27.597 33.118 -5.521 19627 3912 1 10 . 1 1 38 38 THR N N 38 107.877 107.877 110.972 -3.095 19627 3913 1 10 . 1 1 38 38 THR HA H 38 5.403 5.403 4.724 0.679 19627 3914 1 10 . 1 1 38 38 THR CA C 38 61.011 61.011 61.515 -0.504 19627 3915 1 10 . 1 1 38 38 THR CB C 38 72.829 72.829 69.421 3.408 19627 3916 1 10 . 1 1 39 39 TYR N N 39 117.837 117.837 118.954 -1.117 19627 3917 1 10 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.246 0.468 19627 3918 1 10 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.230 0.512 19627 3919 1 10 . 1 1 39 39 TYR CB C 39 43.579 43.579 40.787 2.792 19627 3920 1 10 . 1 1 40 40 GLU N N 40 118.677 118.677 117.976 0.701 19627 3921 1 10 . 1 1 40 40 GLU HA H 40 5.253 5.253 4.820 0.433 19627 3922 1 10 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.914 -0.855 19627 3923 1 10 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.266 0.689 19627 3924 1 10 . 1 1 41 41 VAL N N 41 121.838 121.838 121.226 0.612 19627 3925 1 10 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.897 0.262 19627 3926 1 10 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.712 -0.172 19627 3927 1 10 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.139 0.185 19627 3928 1 10 . 1 1 42 42 TYR N N 42 126.740 126.740 121.098 5.642 19627 3929 1 10 . 1 1 42 42 TYR HA H 42 4.815 4.815 5.050 -0.235 19627 3930 1 10 . 1 1 42 42 TYR CA C 42 56.841 56.841 56.852 -0.011 19627 3931 1 10 . 1 1 42 42 TYR CB C 42 42.293 42.293 39.575 2.718 19627 3932 1 10 . 1 1 43 43 THR N N 43 122.111 122.111 115.191 6.920 19627 3933 1 10 . 1 1 43 43 THR HA H 43 5.126 5.126 4.794 0.332 19627 3934 1 10 . 1 1 43 43 THR CA C 43 60.915 60.915 60.816 0.100 19627 3935 1 10 . 1 1 43 43 THR CB C 43 70.667 70.667 72.471 -1.804 19627 3936 1 10 . 1 1 44 44 GLY N N 44 112.123 112.123 111.669 0.454 19627 3937 1 10 . 1 1 44 44 GLY CA C 44 45.038 45.038 44.745 0.293 19627 3938 1 10 . 1 1 45 45 SER N N 45 118.181 118.181 115.736 2.445 19627 3939 1 10 . 1 1 45 45 SER HA H 45 4.736 4.736 4.281 0.455 19627 3940 1 10 . 1 1 45 45 SER CA C 45 55.721 55.721 57.930 -2.209 19627 3941 1 10 . 1 1 45 45 SER CB C 45 64.234 64.234 63.183 1.051 19627 3942 1 10 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.330 -0.052 19627 3943 1 10 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.141 0.761 19627 3944 1 10 . 1 1 46 46 PRO CB C 46 32.100 32.100 31.925 0.175 19627 3945 1 10 . 1 1 47 47 LEU N N 47 115.053 115.053 118.805 -3.752 19627 3946 1 10 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.293 -0.017 19627 3947 1 10 . 1 1 47 47 LEU CA C 47 54.820 54.820 56.537 -1.717 19627 3948 1 10 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.562 -0.065 19627 3949 1 10 . 1 1 48 48 SER N N 48 114.930 114.930 112.691 2.239 19627 3950 1 10 . 1 1 48 48 SER HA H 48 4.418 4.418 4.655 -0.237 19627 3951 1 10 . 1 1 48 48 SER CA C 48 57.896 57.896 57.038 0.857 19627 3952 1 10 . 1 1 48 48 SER CB C 48 64.328 64.328 65.456 -1.128 19627 3953 1 10 . 1 1 49 49 ASN N N 49 121.801 121.801 120.284 1.517 19627 3954 1 10 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.124 0.559 19627 3955 1 10 . 1 1 49 49 ASN CA C 49 53.247 53.247 52.755 0.492 19627 3956 1 10 . 1 1 49 49 ASN CB C 49 39.147 39.147 36.065 3.082 19627 3957 1 10 . 1 1 50 50 GLY N N 50 108.685 108.685 111.377 -2.692 19627 3958 1 10 . 1 1 50 50 GLY CA C 50 45.049 45.049 46.570 -1.521 19627 3959 1 10 . 1 1 51 51 VAL N N 51 121.162 121.162 120.055 1.107 19627 3960 1 10 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.298 0.096 19627 3961 1 10 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.194 0.464 19627 3962 1 10 . 1 1 51 51 VAL CB C 51 33.484 33.484 33.245 0.239 19627 3963 1 10 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.448 0.213 19627 3964 1 10 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.210 0.683 19627 3965 1 10 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.344 0.552 19627 3966 1 10 . 1 1 53 53 PHE N N 53 123.537 123.537 120.918 2.619 19627 3967 1 10 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.592 -0.014 19627 3968 1 10 . 1 1 53 53 PHE CA C 53 57.762 57.762 57.433 0.329 19627 3969 1 10 . 1 1 53 53 PHE CB C 53 40.652 40.652 41.004 -0.352 19627 3970 1 10 . 1 1 54 54 ARG N N 54 124.570 124.570 118.113 6.457 19627 3971 1 10 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.575 0.319 19627 3972 1 10 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.067 0.534 19627 3973 1 10 . 1 1 54 54 ARG CB C 54 33.401 33.401 33.313 0.088 19627 3974 1 10 . 1 1 55 55 GLY N N 55 107.998 107.998 108.952 -0.954 19627 3975 1 10 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.838 -0.296 19627 3976 1 10 . 1 1 56 56 THR N N 56 114.021 114.021 113.752 0.269 19627 3977 1 10 . 1 1 56 56 THR HA H 56 5.777 5.777 5.046 0.731 19627 3978 1 10 . 1 1 56 56 THR CA C 56 60.409 60.409 60.267 0.142 19627 3979 1 10 . 1 1 56 56 THR CB C 56 72.641 72.641 71.864 0.777 19627 3980 1 10 . 1 1 57 57 TYR N N 57 115.684 115.684 117.955 -2.271 19627 3981 1 10 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.947 0.309 19627 3982 1 10 . 1 1 57 57 TYR CA C 57 55.645 55.645 54.873 0.772 19627 3983 1 10 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.495 1.857 19627 3984 1 10 . 1 1 58 58 ILE N N 58 118.048 118.048 120.504 -2.456 19627 3985 1 10 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.544 -0.189 19627 3986 1 10 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.745 -0.736 19627 3987 1 10 . 1 1 58 58 ILE CB C 58 42.925 42.925 41.696 1.229 19627 3988 1 10 . 1 1 59 59 ILE N N 59 124.887 124.887 125.044 -0.157 19627 3989 1 10 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.723 0.281 19627 3990 1 10 . 1 1 59 59 ILE CA C 59 58.275 58.275 60.437 -2.162 19627 3991 1 10 . 1 1 59 59 ILE CB C 59 40.709 40.709 40.398 0.311 19627 3992 1 10 . 1 1 60 60 SER N N 60 122.768 122.768 122.525 0.243 19627 3993 1 10 . 1 1 60 60 SER HA H 60 4.835 4.835 4.552 0.283 19627 3994 1 10 . 1 1 60 60 SER CA C 60 55.735 55.735 57.489 -1.754 19627 3995 1 10 . 1 1 60 60 SER CB C 60 63.250 63.250 64.212 -0.962 19627 3996 1 10 . 1 1 61 61 LEU N N 61 129.303 129.303 124.247 5.056 19627 3997 1 10 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.026 -0.180 19627 3998 1 10 . 1 1 61 61 LEU CA C 61 58.659 58.659 58.022 0.637 19627 3999 1 10 . 1 1 61 61 LEU CB C 61 41.962 41.962 41.782 0.180 19627 4000 1 10 . 1 1 62 62 ASP N N 62 118.454 118.454 118.233 0.221 19627 4001 1 10 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.544 -0.241 19627 4002 1 10 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.554 0.560 19627 4003 1 10 . 1 1 62 62 ASP CB C 62 40.178 40.178 40.954 -0.776 19627 4004 1 10 . 1 1 63 63 GLU N N 63 115.083 115.083 118.053 -2.970 19627 4005 1 10 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.180 0.051 19627 4006 1 10 . 1 1 63 63 GLU CA C 63 55.915 55.915 56.644 -0.729 19627 4007 1 10 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.880 1.518 19627 4008 1 10 . 1 1 64 64 LYS N N 64 117.578 117.578 118.309 -0.731 19627 4009 1 10 . 1 1 65 65 LEU N N 65 119.527 119.527 118.704 0.823 19627 4010 1 10 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.280 0.870 19627 4011 1 10 . 1 1 65 65 LEU CA C 65 53.355 53.355 54.523 -1.168 19627 4012 1 10 . 1 1 65 65 LEU CB C 65 47.627 47.627 44.227 3.400 19627 4013 1 10 . 1 1 66 66 ILE N N 66 123.527 123.527 120.573 2.954 19627 4014 1 10 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.131 -0.128 19627 4015 1 10 . 1 1 66 66 ILE CA C 66 58.348 58.348 59.528 -1.180 19627 4016 1 10 . 1 1 66 66 ILE CB C 66 42.093 42.093 41.455 0.638 19627 4017 1 10 . 1 1 67 67 LYS N N 67 125.168 125.168 127.513 -2.345 19627 4018 1 10 . 1 1 67 67 LYS HA H 67 4.407 4.407 5.065 -0.658 19627 4019 1 10 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.434 0.848 19627 4020 1 10 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.785 -0.537 19627 4021 1 10 . 1 1 68 68 LEU N N 68 123.218 123.218 121.187 2.031 19627 4022 1 10 . 1 1 68 68 LEU HA H 68 4.798 4.798 5.040 -0.242 19627 4023 1 10 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.500 1.330 19627 4024 1 10 . 1 1 68 68 LEU CB C 68 40.826 40.826 43.173 -2.347 19627 4025 1 10 . 1 1 69 69 TYR N N 69 119.751 119.751 122.471 -2.720 19627 4026 1 10 . 1 1 69 69 TYR HA H 69 5.424 5.424 4.662 0.762 19627 4027 1 10 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.805 -0.639 19627 4028 1 10 . 1 1 69 69 TYR CB C 69 42.319 42.319 42.362 -0.043 19627 4029 1 10 . 1 1 70 70 ASP N N 70 120.335 120.335 122.097 -1.762 19627 4030 1 10 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.275 -0.233 19627 4031 1 10 . 1 1 70 70 ASP CA C 70 52.428 52.428 52.558 -0.130 19627 4032 1 10 . 1 1 70 70 ASP CB C 70 42.210 42.210 43.507 -1.297 19627 4033 1 10 . 1 1 71 71 LYS N N 71 117.975 117.975 120.765 -2.790 19627 4034 1 10 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.155 0.050 19627 4035 1 10 . 1 1 71 71 LYS CA C 71 58.189 58.189 59.186 -0.997 19627 4036 1 10 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.654 0.570 19627 4037 1 10 . 1 1 72 72 GLU N N 72 119.779 119.779 119.493 0.286 19627 4038 1 10 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.393 -0.117 19627 4039 1 10 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.005 -0.182 19627 4040 1 10 . 1 1 72 72 GLU CB C 72 29.639 29.639 28.554 1.085 19627 4041 1 10 . 1 1 73 73 GLU N N 73 112.572 112.572 116.199 -3.627 19627 4042 1 10 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.260 -0.654 19627 4043 1 10 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.954 0.137 19627 4044 1 10 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.483 -0.583 19627 4045 1 10 . 1 1 74 74 HIS N N 74 118.561 118.561 114.119 4.442 19627 4046 1 10 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.636 0.236 19627 4047 1 10 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.971 -0.480 19627 4048 1 10 . 1 1 74 74 HIS CB C 74 28.650 28.650 29.472 -0.822 19627 4049 1 10 . 1 1 75 75 CYS N N 75 126.459 126.459 116.302 10.157 19627 4050 1 10 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.669 0.381 19627 4051 1 10 . 1 1 75 75 CYS CA C 75 58.539 58.539 58.357 0.182 19627 4052 1 10 . 1 1 75 75 CYS CB C 75 26.305 26.305 25.018 1.287 19627 4053 1 10 . 1 1 76 76 THR N N 76 123.868 123.868 113.986 9.882 19627 4054 1 10 . 1 1 76 76 THR HA H 76 4.115 4.115 4.118 -0.003 19627 4055 1 10 . 1 1 76 76 THR CA C 76 62.701 62.701 64.540 -1.839 19627 4056 1 10 . 1 1 76 76 THR CB C 76 68.451 68.451 69.451 -1.000 19627 4057 1 10 . 1 1 77 77 GLU N N 77 120.185 120.185 119.286 0.899 19627 4058 1 10 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.579 -0.404 19627 4059 1 10 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.289 -0.592 19627 4060 1 10 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.194 0.906 19627 4061 1 10 . 1 1 78 78 GLN N N 78 118.401 118.401 118.313 0.088 19627 4062 1 10 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.878 -0.181 19627 4063 1 10 . 1 1 78 78 GLN CA C 78 53.933 53.933 53.916 0.017 19627 4064 1 10 . 1 1 78 78 GLN CB C 78 31.842 31.842 31.559 0.283 19627 4065 1 10 . 1 1 79 79 TYR N N 79 116.069 116.069 117.262 -1.193 19627 4066 1 10 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.952 -0.102 19627 4067 1 10 . 1 1 79 79 TYR CA C 79 55.999 55.999 55.909 0.090 19627 4068 1 10 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.582 0.231 19627 4069 1 10 . 1 1 80 80 HIS N N 80 119.747 119.747 120.054 -0.307 19627 4070 1 10 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.678 0.495 19627 4071 1 10 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.833 -0.712 19627 4072 1 10 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.277 -1.557 19627 4073 1 10 . 1 1 81 81 ILE N N 81 126.268 126.268 124.175 2.093 19627 4074 1 10 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.312 0.908 19627 4075 1 10 . 1 1 81 81 ILE CA C 81 61.739 61.739 63.311 -1.572 19627 4076 1 10 . 1 1 81 81 ILE CB C 81 38.354 38.354 37.038 1.316 19627 4077 1 10 . 1 1 82 82 LEU N N 82 127.552 127.552 128.290 -0.738 19627 4078 1 10 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.585 -0.491 19627 4079 1 10 . 1 1 82 82 LEU CA C 82 55.392 55.392 55.360 0.032 19627 4080 1 10 . 1 1 82 82 LEU CB C 82 43.115 43.115 43.562 -0.446 19627 4081 1 10 . 1 1 83 83 LYS N N 83 115.809 115.809 117.101 -1.292 19627 4082 1 10 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.664 -0.464 19627 4083 1 10 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.292 0.401 19627 4084 1 10 . 1 1 83 83 LYS CB C 83 36.922 36.922 37.319 -0.397 19627 4085 1 10 . 1 1 84 84 LEU N N 84 129.953 129.953 122.292 7.661 19627 4086 1 10 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.323 -0.489 19627 4087 1 10 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.895 -0.281 19627 4088 1 10 . 1 1 84 84 LEU CB C 84 43.767 43.767 46.394 -2.627 19627 4089 1 10 . 1 1 85 85 THR N N 85 119.648 119.648 112.743 6.905 19627 4090 1 10 . 1 1 85 85 THR HA H 85 4.897 4.897 5.247 -0.350 19627 4091 1 10 . 1 1 85 85 THR CA C 85 58.717 58.717 59.909 -1.192 19627 4092 1 10 . 1 1 85 85 THR CB C 85 72.356 72.356 71.846 0.510 19627 4093 1 10 . 1 1 86 86 SER N N 86 108.790 108.790 114.659 -5.869 19627 4094 1 10 . 1 1 86 86 SER HA H 86 4.165 4.165 4.227 -0.062 19627 4095 1 10 . 1 1 86 86 SER CA C 86 60.370 60.370 61.085 -0.715 19627 4096 1 10 . 1 1 86 86 SER CB C 86 63.258 63.258 63.084 0.173 19627 4097 1 10 . 1 1 87 87 LYS N N 87 116.161 116.161 113.322 2.839 19627 4098 1 10 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.446 0.068 19627 4099 1 10 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.415 0.064 19627 4100 1 10 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.448 1.916 19627 4101 1 10 . 1 1 88 88 GLU N N 88 119.485 119.485 121.244 -1.759 19627 4102 1 10 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.779 0.684 19627 4103 1 10 . 1 1 88 88 GLU CA C 88 55.595 55.595 56.179 -0.584 19627 4104 1 10 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.398 2.203 19627 4105 1 10 . 1 1 89 89 MET N N 89 122.595 122.595 126.697 -4.102 19627 4106 1 10 . 1 1 89 89 MET HA H 89 4.940 4.940 5.091 -0.151 19627 4107 1 10 . 1 1 89 89 MET CA C 89 53.785 53.785 54.646 -0.861 19627 4108 1 10 . 1 1 89 89 MET CB C 89 36.210 36.210 36.805 -0.595 19627 4109 1 10 . 1 1 90 90 LYS N N 90 124.449 124.449 125.622 -1.173 19627 4110 1 10 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.790 0.005 19627 4111 1 10 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.589 -0.236 19627 4112 1 10 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.649 3.114 19627 4113 1 10 . 1 1 91 91 TRP N N 91 125.457 125.457 127.336 -1.879 19627 4114 1 10 . 1 1 91 91 TRP HA H 91 5.514 5.514 5.079 0.435 19627 4115 1 10 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.601 -3.091 19627 4116 1 10 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.227 4.524 19627 4117 1 10 . 1 1 92 92 GLU N N 92 123.111 123.111 126.189 -3.078 19627 4118 1 10 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.213 0.662 19627 4119 1 10 . 1 1 92 92 GLU C C 92 176.109 176.109 176.383 -0.274 19627 4120 1 10 . 1 1 92 92 GLU CA C 92 53.610 53.610 57.049 -3.439 19627 4121 1 10 . 1 1 92 92 GLU CB C 92 33.384 33.384 31.448 1.936 19627 4122 1 10 . 1 1 93 93 ASN N N 93 126.757 126.757 124.290 2.467 19627 4123 1 10 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.442 -0.039 19627 4124 1 10 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.308 -1.316 19627 4125 1 10 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.555 -0.952 19627 4126 1 10 . 1 1 94 94 ALA N N 94 130.509 130.509 118.310 12.199 19627 4127 1 10 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.092 0.113 19627 4128 1 10 . 1 1 94 94 ALA CA C 94 52.062 52.062 53.673 -1.611 19627 4129 1 10 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.754 1.256 19627 4130 1 10 . 1 1 95 95 SER N N 95 114.601 114.601 113.478 1.123 19627 4131 1 10 . 1 1 95 95 SER HA H 95 4.545 4.545 4.857 -0.312 19627 4132 1 10 . 1 1 95 95 SER CA C 95 54.544 54.544 55.898 -1.354 19627 4133 1 10 . 1 1 95 95 SER CB C 95 63.081 63.081 63.873 -0.792 19627 4134 1 10 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.764 -0.460 19627 4135 1 10 . 1 1 96 96 PRO CA C 96 64.589 64.589 63.705 0.884 19627 4136 1 10 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.850 0.408 19627 4137 1 10 . 1 1 97 97 LYS N N 97 118.117 118.117 118.410 -0.293 19627 4138 1 10 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.102 0.046 19627 4139 1 10 . 1 1 97 97 LYS CA C 97 57.447 57.447 57.934 -0.487 19627 4140 1 10 . 1 1 97 97 LYS CB C 97 31.991 31.991 32.251 -0.260 19627 4141 1 10 . 1 1 98 98 ASP N N 98 119.820 119.820 116.489 3.331 19627 4142 1 10 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.659 -0.334 19627 4143 1 10 . 1 1 98 98 ASP CA C 98 54.598 54.598 53.949 0.649 19627 4144 1 10 . 1 1 98 98 ASP CB C 98 40.782 40.782 42.476 -1.694 19627 4145 1 10 . 1 1 99 99 GLY N N 99 107.593 107.593 109.232 -1.639 19627 4146 1 10 . 1 1 99 99 GLY CA C 99 45.636 45.636 45.274 0.362 19627 4147 1 10 . 1 1 100 100 ASN N N 100 119.859 119.859 119.065 0.794 19627 4148 1 10 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.472 0.248 19627 4149 1 10 . 1 1 100 100 ASN C C 100 175.832 175.832 175.341 0.491 19627 4150 1 10 . 1 1 100 100 ASN CA C 100 53.853 53.853 54.295 -0.442 19627 4151 1 10 . 1 1 100 100 ASN CB C 100 38.772 38.772 38.798 -0.026 19627 4152 1 10 . 1 1 101 101 SER N N 101 117.380 117.380 119.226 -1.846 19627 4153 1 10 . 1 1 101 101 SER HA H 101 4.533 4.533 4.173 0.360 19627 4154 1 10 . 1 1 101 101 SER C C 101 175.075 175.075 174.211 0.864 19627 4155 1 10 . 1 1 101 101 SER CA C 101 57.658 57.658 60.141 -2.483 19627 4156 1 10 . 1 1 101 101 SER CB C 101 64.927 64.927 63.535 1.392 19627 4157 1 10 . 1 1 102 102 ASP N N 102 123.193 123.193 120.300 2.893 19627 4158 1 10 . 1 1 102 102 ASP HA H 102 4.606 4.606 4.412 0.194 19627 4159 1 10 . 1 1 102 102 ASP C C 102 177.297 177.297 175.068 2.229 19627 4160 1 10 . 1 1 102 102 ASP CA C 102 55.558 55.558 55.545 0.013 19627 4161 1 10 . 1 1 102 102 ASP CB C 102 40.668 40.668 40.114 0.554 19627 4162 1 10 . 1 1 103 103 LYS N N 103 117.188 117.188 118.039 -0.851 19627 4163 1 10 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.941 0.456 19627 4164 1 10 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.158 0.403 19627 4165 1 10 . 1 1 103 103 LYS CB C 103 39.951 39.951 35.075 4.876 19627 4166 1 10 . 1 1 104 104 ARG N N 104 122.088 122.088 118.278 3.810 19627 4167 1 10 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.908 -0.100 19627 4168 1 10 . 1 1 104 104 ARG C C 104 174.517 174.517 175.573 -1.056 19627 4169 1 10 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.550 1.134 19627 4170 1 10 . 1 1 104 104 ARG CB C 104 33.949 33.949 30.762 3.187 19627 4171 1 10 . 1 1 105 105 LEU N N 105 126.226 126.226 125.426 0.800 19627 4172 1 10 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.498 0.991 19627 4173 1 10 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.740 -0.598 19627 4174 1 10 . 1 1 105 105 LEU CB C 105 45.852 45.852 41.689 4.163 19627 4175 1 10 . 1 1 106 106 GLU N N 106 120.408 120.408 125.521 -5.113 19627 4176 1 10 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.709 0.636 19627 4177 1 10 . 1 1 106 106 GLU CA C 106 54.248 54.248 54.850 -0.602 19627 4178 1 10 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.834 4.718 19627 4179 1 10 . 1 1 107 107 LYS N N 107 127.864 127.864 118.132 9.732 19627 4180 1 10 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.530 -0.056 19627 4181 1 10 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.618 -0.714 19627 4182 1 10 . 1 1 107 107 LYS CB C 107 32.373 32.373 31.755 0.618 19627 4183 1 10 . 1 1 108 108 TYR N N 108 127.870 127.870 121.240 6.630 19627 4184 1 10 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.670 -0.229 19627 4185 1 10 . 1 1 108 108 TYR CA C 108 57.519 57.519 57.163 0.357 19627 4186 1 10 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.508 1.615 19627 4187 1 10 . 1 1 109 109 ASN N N 109 123.534 123.534 126.639 -3.105 19627 4188 1 10 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.761 -0.185 19627 4189 1 10 . 1 1 109 109 ASN CA C 109 53.020 53.020 51.829 1.191 19627 4190 1 10 . 1 1 109 109 ASN CB C 109 40.596 40.596 38.148 2.448 19627 4191 1 11 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.663 -0.143 19627 4192 1 11 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.807 0.399 19627 4193 1 11 . 1 1 2 2 ASP CB C 2 41.225 41.225 42.022 -0.797 19627 4194 1 11 . 1 1 3 3 GLU N N 3 119.869 119.869 120.599 -0.730 19627 4195 1 11 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.065 0.134 19627 4196 1 11 . 1 1 3 3 GLU CA C 3 57.029 57.029 57.003 0.026 19627 4197 1 11 . 1 1 3 3 GLU CB C 3 29.820 29.820 28.529 1.291 19627 4198 1 11 . 1 1 4 4 ASP N N 4 119.650 119.650 120.165 -0.515 19627 4199 1 11 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.656 -0.216 19627 4200 1 11 . 1 1 4 4 ASP CA C 4 55.118 55.118 52.766 2.352 19627 4201 1 11 . 1 1 4 4 ASP CB C 4 41.245 41.245 40.949 0.296 19627 4202 1 11 . 1 1 5 5 ASP N N 5 119.339 119.339 118.373 0.966 19627 4203 1 11 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.360 0.270 19627 4204 1 11 . 1 1 5 5 ASP CA C 5 53.761 53.761 55.359 -1.598 19627 4205 1 11 . 1 1 5 5 ASP CB C 5 40.866 40.866 40.039 0.827 19627 4206 1 11 . 1 1 6 6 LYS N N 6 121.265 121.265 117.713 3.552 19627 4207 1 11 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.608 -0.391 19627 4208 1 11 . 1 1 6 6 LYS CA C 6 56.109 56.109 54.898 1.211 19627 4209 1 11 . 1 1 6 6 LYS CB C 6 33.916 33.916 34.782 -0.866 19627 4210 1 11 . 1 1 7 7 VAL N N 7 122.743 122.743 123.767 -1.024 19627 4211 1 11 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.171 -0.120 19627 4212 1 11 . 1 1 7 7 VAL CA C 7 62.504 62.504 61.800 0.704 19627 4213 1 11 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.927 0.811 19627 4214 1 11 . 1 1 8 8 GLU N N 8 129.254 129.254 124.442 4.812 19627 4215 1 11 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.595 0.009 19627 4216 1 11 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.456 -1.373 19627 4217 1 11 . 1 1 8 8 GLU CB C 8 30.047 30.047 30.095 -0.047 19627 4218 1 11 . 1 1 9 9 ILE N N 9 123.662 123.662 125.539 -1.877 19627 4219 1 11 . 1 1 9 9 ILE HA H 9 3.819 3.819 3.974 -0.155 19627 4220 1 11 . 1 1 9 9 ILE CA C 9 63.426 63.426 65.298 -1.872 19627 4221 1 11 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.101 -0.261 19627 4222 1 11 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.490 -0.152 19627 4223 1 11 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.293 1.493 19627 4224 1 11 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.149 0.710 19627 4225 1 11 . 1 1 11 11 GLN N N 11 112.602 112.602 117.622 -5.020 19627 4226 1 11 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.361 -0.139 19627 4227 1 11 . 1 1 11 11 GLN C C 11 176.461 176.461 177.800 -1.339 19627 4228 1 11 . 1 1 11 11 GLN CA C 11 55.805 55.805 56.837 -1.032 19627 4229 1 11 . 1 1 11 11 GLN CB C 11 27.861 27.861 29.133 -1.272 19627 4230 1 11 . 1 1 12 12 LEU N N 12 119.555 119.555 122.869 -3.314 19627 4231 1 11 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.307 -0.399 19627 4232 1 11 . 1 1 12 12 LEU CA C 12 58.115 58.115 58.398 -0.283 19627 4233 1 11 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.218 2.084 19627 4234 1 11 . 1 1 13 13 VAL N N 13 112.720 112.720 117.143 -4.423 19627 4235 1 11 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.998 -0.246 19627 4236 1 11 . 1 1 13 13 VAL CA C 13 64.717 64.717 63.692 1.025 19627 4237 1 11 . 1 1 13 13 VAL CB C 13 32.029 32.029 31.071 0.958 19627 4238 1 11 . 1 1 14 14 GLY N N 14 116.042 116.042 108.722 7.320 19627 4239 1 11 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.873 -1.122 19627 4240 1 11 . 1 1 15 15 LYS N N 15 120.788 120.788 120.161 0.627 19627 4241 1 11 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.471 0.714 19627 4242 1 11 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.605 -0.808 19627 4243 1 11 . 1 1 15 15 LYS CB C 15 35.159 35.159 33.816 1.343 19627 4244 1 11 . 1 1 16 16 TRP N N 16 123.983 123.983 120.781 3.202 19627 4245 1 11 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.917 -0.002 19627 4246 1 11 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.633 -0.834 19627 4247 1 11 . 1 1 16 16 TRP CB C 16 34.179 34.179 32.207 1.972 19627 4248 1 11 . 1 1 17 17 ILE N N 17 122.229 122.229 122.894 -0.665 19627 4249 1 11 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.516 0.376 19627 4250 1 11 . 1 1 17 17 ILE CA C 17 58.782 58.782 60.353 -1.571 19627 4251 1 11 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.906 -0.322 19627 4252 1 11 . 1 1 18 18 VAL N N 18 126.326 126.326 126.030 0.296 19627 4253 1 11 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.258 -0.417 19627 4254 1 11 . 1 1 18 18 VAL CA C 18 64.643 64.643 62.653 1.990 19627 4255 1 11 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.314 0.254 19627 4256 1 11 . 1 1 19 19 LYS N N 19 129.061 129.061 120.367 8.694 19627 4257 1 11 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.165 0.291 19627 4258 1 11 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.971 -2.447 19627 4259 1 11 . 1 1 19 19 LYS CB C 19 33.173 33.173 32.251 0.922 19627 4260 1 11 . 1 1 20 20 GLU N N 20 118.305 118.305 118.634 -0.329 19627 4261 1 11 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.634 -0.244 19627 4262 1 11 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.657 0.461 19627 4263 1 11 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.426 2.087 19627 4264 1 11 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.404 0.203 19627 4265 1 11 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.897 -0.267 19627 4266 1 11 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.542 2.248 19627 4267 1 11 . 1 1 22 22 VAL N N 22 119.998 119.998 118.980 1.018 19627 4268 1 11 . 1 1 22 22 VAL HA H 22 4.017 4.017 4.202 -0.185 19627 4269 1 11 . 1 1 22 22 VAL CA C 22 62.374 62.374 60.152 2.222 19627 4270 1 11 . 1 1 22 22 VAL CB C 22 32.937 32.937 34.227 -1.290 19627 4271 1 11 . 1 1 23 23 LEU N N 23 128.343 128.343 125.281 3.062 19627 4272 1 11 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.641 -0.194 19627 4273 1 11 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.931 -0.741 19627 4274 1 11 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.791 0.037 19627 4275 1 11 . 1 1 24 24 GLN N N 24 117.971 117.971 118.067 -0.096 19627 4276 1 11 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.606 -0.346 19627 4277 1 11 . 1 1 24 24 GLN CA C 24 55.598 55.598 54.879 0.719 19627 4278 1 11 . 1 1 24 24 GLN CB C 24 30.104 30.104 30.805 -0.702 19627 4279 1 11 . 1 1 25 25 ASP N N 25 117.501 117.501 118.712 -1.211 19627 4280 1 11 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.267 -0.061 19627 4281 1 11 . 1 1 25 25 ASP CA C 25 55.769 55.769 56.845 -1.076 19627 4282 1 11 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.226 -0.264 19627 4283 1 11 . 1 1 26 26 ASP N N 26 112.782 112.782 118.418 -5.636 19627 4284 1 11 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.666 -0.331 19627 4285 1 11 . 1 1 26 26 ASP CA C 26 55.159 55.159 53.910 1.249 19627 4286 1 11 . 1 1 26 26 ASP CB C 26 39.737 39.737 43.064 -3.327 19627 4287 1 11 . 1 1 27 27 PHE N N 27 118.623 118.623 123.033 -4.410 19627 4288 1 11 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.356 0.071 19627 4289 1 11 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.487 -1.476 19627 4290 1 11 . 1 1 27 27 PHE CB C 27 40.533 40.533 38.371 2.162 19627 4291 1 11 . 1 1 28 28 VAL N N 28 119.117 119.117 117.740 1.377 19627 4292 1 11 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.687 -0.187 19627 4293 1 11 . 1 1 28 28 VAL CA C 28 60.900 60.900 59.865 1.035 19627 4294 1 11 . 1 1 28 28 VAL CB C 28 36.175 36.175 35.118 1.057 19627 4295 1 11 . 1 1 29 29 THR N N 29 124.304 124.304 116.765 7.539 19627 4296 1 11 . 1 1 29 29 THR HA H 29 5.212 5.212 5.057 0.155 19627 4297 1 11 . 1 1 29 29 THR CA C 29 62.051 62.051 61.134 0.917 19627 4298 1 11 . 1 1 29 29 THR CB C 29 70.541 70.541 71.107 -0.566 19627 4299 1 11 . 1 1 30 30 CYS N N 30 123.969 123.969 123.108 0.861 19627 4300 1 11 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.316 0.265 19627 4301 1 11 . 1 1 30 30 CYS CA C 30 56.066 56.066 57.538 -1.472 19627 4302 1 11 . 1 1 30 30 CYS CB C 30 31.010 31.010 29.622 1.388 19627 4303 1 11 . 1 1 31 31 TYR N N 31 125.131 125.131 125.912 -0.781 19627 4304 1 11 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.814 0.351 19627 4305 1 11 . 1 1 31 31 TYR CA C 31 57.270 57.270 58.082 -0.812 19627 4306 1 11 . 1 1 31 31 TYR CB C 31 43.631 43.631 40.248 3.384 19627 4307 1 11 . 1 1 32 32 THR N N 32 118.682 118.682 117.715 0.967 19627 4308 1 11 . 1 1 32 32 THR HA H 32 5.122 5.122 4.789 0.333 19627 4309 1 11 . 1 1 32 32 THR CA C 32 61.828 61.828 61.534 0.294 19627 4310 1 11 . 1 1 32 32 THR CB C 32 70.848 70.848 69.466 1.382 19627 4311 1 11 . 1 1 33 33 PHE N N 33 123.161 123.161 126.927 -3.766 19627 4312 1 11 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.657 0.187 19627 4313 1 11 . 1 1 33 33 PHE CA C 33 57.983 57.983 58.530 -0.547 19627 4314 1 11 . 1 1 33 33 PHE CB C 33 40.905 40.905 39.835 1.070 19627 4315 1 11 . 1 1 34 34 ASN N N 34 119.699 119.699 118.205 1.494 19627 4316 1 11 . 1 1 34 34 ASN HA H 34 5.355 5.355 5.055 0.300 19627 4317 1 11 . 1 1 34 34 ASN CA C 34 52.483 52.483 52.508 -0.025 19627 4318 1 11 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.313 0.130 19627 4319 1 11 . 1 1 35 35 ALA N N 35 128.044 128.044 121.324 6.720 19627 4320 1 11 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.294 -0.127 19627 4321 1 11 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.978 -0.164 19627 4322 1 11 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.306 -0.901 19627 4323 1 11 . 1 1 36 36 ASP N N 36 116.944 116.944 111.967 4.977 19627 4324 1 11 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.751 -0.314 19627 4325 1 11 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.261 -0.866 19627 4326 1 11 . 1 1 36 36 ASP CB C 36 39.512 39.512 39.786 -0.274 19627 4327 1 11 . 1 1 37 37 LYS N N 37 108.202 108.202 121.476 -13.274 19627 4328 1 11 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.497 -1.233 19627 4329 1 11 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.260 1.815 19627 4330 1 11 . 1 1 37 37 LYS CB C 37 27.597 27.597 33.163 -5.566 19627 4331 1 11 . 1 1 38 38 THR N N 38 107.877 107.877 109.302 -1.425 19627 4332 1 11 . 1 1 38 38 THR HA H 38 5.403 5.403 4.771 0.632 19627 4333 1 11 . 1 1 38 38 THR CA C 38 61.011 61.011 60.734 0.277 19627 4334 1 11 . 1 1 38 38 THR CB C 38 72.829 72.829 71.508 1.321 19627 4335 1 11 . 1 1 39 39 TYR N N 39 117.837 117.837 116.282 1.555 19627 4336 1 11 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.295 0.419 19627 4337 1 11 . 1 1 39 39 TYR CA C 39 55.742 55.742 56.116 -0.374 19627 4338 1 11 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.160 2.419 19627 4339 1 11 . 1 1 40 40 GLU N N 40 118.677 118.677 117.634 1.043 19627 4340 1 11 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.005 0.248 19627 4341 1 11 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.506 -0.447 19627 4342 1 11 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.545 0.410 19627 4343 1 11 . 1 1 41 41 VAL N N 41 121.838 121.838 120.114 1.724 19627 4344 1 11 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.976 0.183 19627 4345 1 11 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.510 0.030 19627 4346 1 11 . 1 1 41 41 VAL CB C 41 35.324 35.324 36.242 -0.918 19627 4347 1 11 . 1 1 42 42 TYR N N 42 126.740 126.740 120.485 6.255 19627 4348 1 11 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.988 -0.173 19627 4349 1 11 . 1 1 42 42 TYR CA C 42 56.841 56.841 55.849 0.992 19627 4350 1 11 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.430 1.863 19627 4351 1 11 . 1 1 43 43 THR N N 43 122.111 122.111 117.545 4.566 19627 4352 1 11 . 1 1 43 43 THR HA H 43 5.126 5.126 5.043 0.083 19627 4353 1 11 . 1 1 43 43 THR CA C 43 60.915 60.915 61.366 -0.451 19627 4354 1 11 . 1 1 43 43 THR CB C 43 70.667 70.667 71.696 -1.029 19627 4355 1 11 . 1 1 44 44 GLY N N 44 112.123 112.123 116.407 -4.284 19627 4356 1 11 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.450 -0.412 19627 4357 1 11 . 1 1 45 45 SER N N 45 118.181 118.181 118.107 0.074 19627 4358 1 11 . 1 1 45 45 SER HA H 45 4.736 4.736 5.057 -0.321 19627 4359 1 11 . 1 1 45 45 SER CA C 45 55.721 55.721 55.400 0.321 19627 4360 1 11 . 1 1 45 45 SER CB C 45 64.234 64.234 64.764 -0.530 19627 4361 1 11 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.474 -0.196 19627 4362 1 11 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.085 0.818 19627 4363 1 11 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.106 -0.006 19627 4364 1 11 . 1 1 47 47 LEU N N 47 115.053 115.053 118.177 -3.124 19627 4365 1 11 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.433 -0.157 19627 4366 1 11 . 1 1 47 47 LEU CA C 47 54.820 54.820 54.951 -0.131 19627 4367 1 11 . 1 1 47 47 LEU CB C 47 42.497 42.497 43.303 -0.806 19627 4368 1 11 . 1 1 48 48 SER N N 48 114.930 114.930 111.938 2.992 19627 4369 1 11 . 1 1 48 48 SER HA H 48 4.418 4.418 4.547 -0.129 19627 4370 1 11 . 1 1 48 48 SER CA C 48 57.896 57.896 56.787 1.109 19627 4371 1 11 . 1 1 48 48 SER CB C 48 64.328 64.328 64.781 -0.453 19627 4372 1 11 . 1 1 49 49 ASN N N 49 121.801 121.801 120.394 1.407 19627 4373 1 11 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.581 0.102 19627 4374 1 11 . 1 1 49 49 ASN CA C 49 53.247 53.247 54.121 -0.874 19627 4375 1 11 . 1 1 49 49 ASN CB C 49 39.147 39.147 37.785 1.362 19627 4376 1 11 . 1 1 50 50 GLY N N 50 108.685 108.685 111.407 -2.722 19627 4377 1 11 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.678 -0.629 19627 4378 1 11 . 1 1 51 51 VAL N N 51 121.162 121.162 123.260 -2.098 19627 4379 1 11 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.455 -0.061 19627 4380 1 11 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.486 0.172 19627 4381 1 11 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.510 0.974 19627 4382 1 11 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.623 0.038 19627 4383 1 11 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.485 0.408 19627 4384 1 11 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.482 0.414 19627 4385 1 11 . 1 1 53 53 PHE N N 53 123.537 123.537 119.627 3.910 19627 4386 1 11 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.904 -0.326 19627 4387 1 11 . 1 1 53 53 PHE CA C 53 57.762 57.762 57.050 0.712 19627 4388 1 11 . 1 1 53 53 PHE CB C 53 40.652 40.652 43.265 -2.613 19627 4389 1 11 . 1 1 54 54 ARG N N 54 124.570 124.570 119.671 4.899 19627 4390 1 11 . 1 1 54 54 ARG HA H 54 4.894 4.894 3.998 0.896 19627 4391 1 11 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.373 0.228 19627 4392 1 11 . 1 1 54 54 ARG CB C 54 33.401 33.401 32.852 0.549 19627 4393 1 11 . 1 1 55 55 GLY N N 55 107.998 107.998 106.069 1.929 19627 4394 1 11 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.906 -0.364 19627 4395 1 11 . 1 1 56 56 THR N N 56 114.021 114.021 115.251 -1.230 19627 4396 1 11 . 1 1 56 56 THR HA H 56 5.777 5.777 5.008 0.769 19627 4397 1 11 . 1 1 56 56 THR CA C 56 60.409 60.409 60.289 0.120 19627 4398 1 11 . 1 1 56 56 THR CB C 56 72.641 72.641 71.463 1.178 19627 4399 1 11 . 1 1 57 57 TYR N N 57 115.684 115.684 121.720 -6.036 19627 4400 1 11 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.664 0.592 19627 4401 1 11 . 1 1 57 57 TYR CA C 57 55.645 55.645 55.874 -0.229 19627 4402 1 11 . 1 1 57 57 TYR CB C 57 43.352 43.352 40.951 2.401 19627 4403 1 11 . 1 1 58 58 ILE N N 58 118.048 118.048 120.822 -2.774 19627 4404 1 11 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.352 0.003 19627 4405 1 11 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.091 -0.082 19627 4406 1 11 . 1 1 58 58 ILE CB C 58 42.925 42.925 41.939 0.986 19627 4407 1 11 . 1 1 59 59 ILE N N 59 124.887 124.887 123.902 0.985 19627 4408 1 11 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.462 0.542 19627 4409 1 11 . 1 1 59 59 ILE CA C 59 58.275 58.275 58.970 -0.695 19627 4410 1 11 . 1 1 59 59 ILE CB C 59 40.709 40.709 39.302 1.407 19627 4411 1 11 . 1 1 60 60 SER N N 60 122.768 122.768 118.113 4.655 19627 4412 1 11 . 1 1 60 60 SER HA H 60 4.835 4.835 4.301 0.534 19627 4413 1 11 . 1 1 60 60 SER CA C 60 55.735 55.735 58.810 -3.075 19627 4414 1 11 . 1 1 60 60 SER CB C 60 63.250 63.250 63.644 -0.394 19627 4415 1 11 . 1 1 61 61 LEU N N 61 129.303 129.303 121.753 7.550 19627 4416 1 11 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.642 -0.796 19627 4417 1 11 . 1 1 61 61 LEU CA C 61 58.659 58.659 55.392 3.268 19627 4418 1 11 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.409 -0.447 19627 4419 1 11 . 1 1 62 62 ASP N N 62 118.454 118.454 118.968 -0.514 19627 4420 1 11 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.637 -0.334 19627 4421 1 11 . 1 1 62 62 ASP CA C 62 57.114 57.114 54.504 2.610 19627 4422 1 11 . 1 1 62 62 ASP CB C 62 40.178 40.178 41.440 -1.262 19627 4423 1 11 . 1 1 63 63 GLU N N 63 115.083 115.083 119.425 -4.342 19627 4424 1 11 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.433 -0.202 19627 4425 1 11 . 1 1 63 63 GLU CA C 63 55.915 55.915 56.459 -0.544 19627 4426 1 11 . 1 1 63 63 GLU CB C 63 31.398 31.398 30.345 1.053 19627 4427 1 11 . 1 1 64 64 LYS N N 64 117.578 117.578 119.896 -2.318 19627 4428 1 11 . 1 1 65 65 LEU N N 65 119.527 119.527 111.949 7.578 19627 4429 1 11 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.336 0.814 19627 4430 1 11 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.227 0.128 19627 4431 1 11 . 1 1 65 65 LEU CB C 65 47.627 47.627 44.005 3.622 19627 4432 1 11 . 1 1 66 66 ILE N N 66 123.527 123.527 120.454 3.073 19627 4433 1 11 . 1 1 66 66 ILE HA H 66 5.003 5.003 4.502 0.501 19627 4434 1 11 . 1 1 66 66 ILE CA C 66 58.348 58.348 61.339 -2.991 19627 4435 1 11 . 1 1 66 66 ILE CB C 66 42.093 42.093 38.894 3.199 19627 4436 1 11 . 1 1 67 67 LYS N N 67 125.168 125.168 127.883 -2.715 19627 4437 1 11 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.803 -0.396 19627 4438 1 11 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.388 0.894 19627 4439 1 11 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.715 -0.467 19627 4440 1 11 . 1 1 68 68 LEU N N 68 123.218 123.218 121.610 1.608 19627 4441 1 11 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.841 -0.043 19627 4442 1 11 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.040 1.790 19627 4443 1 11 . 1 1 68 68 LEU CB C 68 40.826 40.826 42.846 -2.020 19627 4444 1 11 . 1 1 69 69 TYR N N 69 119.751 119.751 121.647 -1.896 19627 4445 1 11 . 1 1 69 69 TYR HA H 69 5.424 5.424 4.760 0.664 19627 4446 1 11 . 1 1 69 69 TYR CA C 69 57.166 57.166 56.915 0.251 19627 4447 1 11 . 1 1 69 69 TYR CB C 69 42.319 42.319 41.956 0.363 19627 4448 1 11 . 1 1 70 70 ASP N N 70 120.335 120.335 118.414 1.921 19627 4449 1 11 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.270 -0.228 19627 4450 1 11 . 1 1 70 70 ASP CA C 70 52.428 52.428 51.836 0.592 19627 4451 1 11 . 1 1 70 70 ASP CB C 70 42.210 42.210 44.189 -1.979 19627 4452 1 11 . 1 1 71 71 LYS N N 71 117.975 117.975 118.463 -0.488 19627 4453 1 11 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.141 0.064 19627 4454 1 11 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.788 -0.599 19627 4455 1 11 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.403 0.821 19627 4456 1 11 . 1 1 72 72 GLU N N 72 119.779 119.779 118.109 1.670 19627 4457 1 11 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.487 -0.211 19627 4458 1 11 . 1 1 72 72 GLU CA C 72 55.823 55.823 55.878 -0.055 19627 4459 1 11 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.912 -0.273 19627 4460 1 11 . 1 1 73 73 GLU N N 73 112.572 112.572 116.761 -4.189 19627 4461 1 11 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.277 -0.671 19627 4462 1 11 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.745 0.346 19627 4463 1 11 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.075 -0.175 19627 4464 1 11 . 1 1 74 74 HIS N N 74 118.561 118.561 114.512 4.049 19627 4465 1 11 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.833 0.039 19627 4466 1 11 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.979 -0.488 19627 4467 1 11 . 1 1 74 74 HIS CB C 74 28.650 28.650 31.248 -2.598 19627 4468 1 11 . 1 1 75 75 CYS N N 75 126.459 126.459 120.830 5.629 19627 4469 1 11 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.695 0.355 19627 4470 1 11 . 1 1 75 75 CYS CA C 75 58.539 58.539 59.824 -1.285 19627 4471 1 11 . 1 1 75 75 CYS CB C 75 26.305 26.305 27.115 -0.810 19627 4472 1 11 . 1 1 76 76 THR N N 76 123.868 123.868 119.131 4.737 19627 4473 1 11 . 1 1 76 76 THR HA H 76 4.115 4.115 4.187 -0.072 19627 4474 1 11 . 1 1 76 76 THR CA C 76 62.701 62.701 63.540 -0.839 19627 4475 1 11 . 1 1 76 76 THR CB C 76 68.451 68.451 69.736 -1.285 19627 4476 1 11 . 1 1 77 77 GLU N N 77 120.185 120.185 118.731 1.454 19627 4477 1 11 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.484 -0.309 19627 4478 1 11 . 1 1 77 77 GLU CA C 77 54.697 54.697 54.895 -0.198 19627 4479 1 11 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.622 0.478 19627 4480 1 11 . 1 1 78 78 GLN N N 78 118.401 118.401 117.238 1.163 19627 4481 1 11 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.854 -0.157 19627 4482 1 11 . 1 1 78 78 GLN CA C 78 53.933 53.933 53.925 0.008 19627 4483 1 11 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.109 -0.267 19627 4484 1 11 . 1 1 79 79 TYR N N 79 116.069 116.069 116.277 -0.208 19627 4485 1 11 . 1 1 79 79 TYR HA H 79 4.850 4.850 5.049 -0.199 19627 4486 1 11 . 1 1 79 79 TYR CA C 79 55.999 55.999 55.510 0.489 19627 4487 1 11 . 1 1 79 79 TYR CB C 79 41.813 41.813 39.388 2.425 19627 4488 1 11 . 1 1 80 80 HIS N N 80 119.747 119.747 120.321 -0.574 19627 4489 1 11 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.473 0.700 19627 4490 1 11 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.545 -0.424 19627 4491 1 11 . 1 1 80 80 HIS CB C 80 29.720 29.720 32.008 -2.288 19627 4492 1 11 . 1 1 81 81 ILE N N 81 126.268 126.268 125.147 1.121 19627 4493 1 11 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.826 0.394 19627 4494 1 11 . 1 1 81 81 ILE CA C 81 61.739 61.739 61.508 0.231 19627 4495 1 11 . 1 1 81 81 ILE CB C 81 38.354 38.354 36.803 1.551 19627 4496 1 11 . 1 1 82 82 LEU N N 82 127.552 127.552 129.543 -1.991 19627 4497 1 11 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.120 -0.026 19627 4498 1 11 . 1 1 82 82 LEU CA C 82 55.392 55.392 57.417 -2.025 19627 4499 1 11 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.247 0.868 19627 4500 1 11 . 1 1 83 83 LYS N N 83 115.809 115.809 114.053 1.756 19627 4501 1 11 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.601 -0.401 19627 4502 1 11 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.242 0.451 19627 4503 1 11 . 1 1 83 83 LYS CB C 83 36.922 36.922 37.087 -0.165 19627 4504 1 11 . 1 1 84 84 LEU N N 84 129.953 129.953 121.165 8.788 19627 4505 1 11 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.283 -0.449 19627 4506 1 11 . 1 1 84 84 LEU CA C 84 53.614 53.614 54.223 -0.609 19627 4507 1 11 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.874 -2.107 19627 4508 1 11 . 1 1 85 85 THR N N 85 119.648 119.648 115.057 4.591 19627 4509 1 11 . 1 1 85 85 THR HA H 85 4.897 4.897 4.912 -0.015 19627 4510 1 11 . 1 1 85 85 THR CA C 85 58.717 58.717 59.327 -0.610 19627 4511 1 11 . 1 1 85 85 THR CB C 85 72.356 72.356 71.622 0.734 19627 4512 1 11 . 1 1 86 86 SER N N 86 108.790 108.790 113.731 -4.941 19627 4513 1 11 . 1 1 86 86 SER HA H 86 4.165 4.165 4.325 -0.160 19627 4514 1 11 . 1 1 86 86 SER CA C 86 60.370 60.370 61.337 -0.967 19627 4515 1 11 . 1 1 86 86 SER CB C 86 63.258 63.258 63.324 -0.066 19627 4516 1 11 . 1 1 87 87 LYS N N 87 116.161 116.161 114.380 1.781 19627 4517 1 11 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.412 0.102 19627 4518 1 11 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.289 0.190 19627 4519 1 11 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.596 1.768 19627 4520 1 11 . 1 1 88 88 GLU N N 88 119.485 119.485 120.947 -1.462 19627 4521 1 11 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.899 0.564 19627 4522 1 11 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.267 0.328 19627 4523 1 11 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.557 2.044 19627 4524 1 11 . 1 1 89 89 MET N N 89 122.595 122.595 122.098 0.497 19627 4525 1 11 . 1 1 89 89 MET HA H 89 4.940 4.940 4.978 -0.038 19627 4526 1 11 . 1 1 89 89 MET CA C 89 53.785 53.785 54.350 -0.565 19627 4527 1 11 . 1 1 89 89 MET CB C 89 36.210 36.210 36.511 -0.301 19627 4528 1 11 . 1 1 90 90 LYS N N 90 124.449 124.449 124.543 -0.094 19627 4529 1 11 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.782 0.013 19627 4530 1 11 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.971 -0.618 19627 4531 1 11 . 1 1 90 90 LYS CB C 90 36.763 36.763 34.903 1.860 19627 4532 1 11 . 1 1 91 91 TRP N N 91 125.457 125.457 127.821 -2.364 19627 4533 1 11 . 1 1 91 91 TRP HA H 91 5.514 5.514 5.190 0.324 19627 4534 1 11 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.414 -2.904 19627 4535 1 11 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.624 4.128 19627 4536 1 11 . 1 1 92 92 GLU N N 92 123.111 123.111 124.643 -1.532 19627 4537 1 11 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.621 0.254 19627 4538 1 11 . 1 1 92 92 GLU C C 92 176.109 176.109 177.384 -1.275 19627 4539 1 11 . 1 1 92 92 GLU CA C 92 53.610 53.610 56.344 -2.735 19627 4540 1 11 . 1 1 92 92 GLU CB C 92 33.384 33.384 31.452 1.932 19627 4541 1 11 . 1 1 93 93 ASN N N 93 126.757 126.757 126.812 -0.055 19627 4542 1 11 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.450 -0.047 19627 4543 1 11 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.816 -1.824 19627 4544 1 11 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.652 -1.049 19627 4545 1 11 . 1 1 94 94 ALA N N 94 130.509 130.509 119.871 10.638 19627 4546 1 11 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.051 0.154 19627 4547 1 11 . 1 1 94 94 ALA CA C 94 52.062 52.062 53.812 -1.750 19627 4548 1 11 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.506 1.504 19627 4549 1 11 . 1 1 95 95 SER N N 95 114.601 114.601 113.597 1.004 19627 4550 1 11 . 1 1 95 95 SER HA H 95 4.545 4.545 4.845 -0.300 19627 4551 1 11 . 1 1 95 95 SER CA C 95 54.544 54.544 54.319 0.224 19627 4552 1 11 . 1 1 95 95 SER CB C 95 63.081 63.081 63.665 -0.584 19627 4553 1 11 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.435 -0.131 19627 4554 1 11 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.195 0.394 19627 4555 1 11 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.693 0.565 19627 4556 1 11 . 1 1 97 97 LYS N N 97 118.117 118.117 117.851 0.266 19627 4557 1 11 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.306 -0.158 19627 4558 1 11 . 1 1 97 97 LYS CA C 97 57.447 57.447 57.524 -0.077 19627 4559 1 11 . 1 1 97 97 LYS CB C 97 31.991 31.991 32.635 -0.644 19627 4560 1 11 . 1 1 98 98 ASP N N 98 119.820 119.820 117.617 2.203 19627 4561 1 11 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.498 -0.173 19627 4562 1 11 . 1 1 98 98 ASP CA C 98 54.598 54.598 55.646 -1.048 19627 4563 1 11 . 1 1 98 98 ASP CB C 98 40.782 40.782 42.009 -1.227 19627 4564 1 11 . 1 1 99 99 GLY N N 99 107.593 107.593 108.156 -0.563 19627 4565 1 11 . 1 1 99 99 GLY CA C 99 45.636 45.636 45.040 0.596 19627 4566 1 11 . 1 1 100 100 ASN N N 100 119.859 119.859 119.131 0.728 19627 4567 1 11 . 1 1 100 100 ASN HA H 100 4.720 4.720 5.444 -0.724 19627 4568 1 11 . 1 1 100 100 ASN C C 100 175.832 175.832 174.113 1.719 19627 4569 1 11 . 1 1 100 100 ASN CA C 100 53.853 53.853 51.863 1.990 19627 4570 1 11 . 1 1 100 100 ASN CB C 100 38.772 38.772 42.623 -3.851 19627 4571 1 11 . 1 1 101 101 SER N N 101 117.380 117.380 115.063 2.317 19627 4572 1 11 . 1 1 101 101 SER HA H 101 4.533 4.533 4.675 -0.142 19627 4573 1 11 . 1 1 101 101 SER C C 101 175.075 175.075 173.074 2.001 19627 4574 1 11 . 1 1 101 101 SER CA C 101 57.658 57.658 57.808 -0.150 19627 4575 1 11 . 1 1 101 101 SER CB C 101 64.927 64.927 66.454 -1.528 19627 4576 1 11 . 1 1 102 102 ASP N N 102 123.193 123.193 125.658 -2.465 19627 4577 1 11 . 1 1 102 102 ASP HA H 102 4.606 4.606 4.955 -0.349 19627 4578 1 11 . 1 1 102 102 ASP C C 102 177.297 177.297 176.088 1.209 19627 4579 1 11 . 1 1 102 102 ASP CA C 102 55.558 55.558 53.282 2.276 19627 4580 1 11 . 1 1 102 102 ASP CB C 102 40.668 40.668 40.796 -0.128 19627 4581 1 11 . 1 1 103 103 LYS N N 103 117.188 117.188 120.260 -3.072 19627 4582 1 11 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.910 0.487 19627 4583 1 11 . 1 1 103 103 LYS CA C 103 55.561 55.561 54.321 1.240 19627 4584 1 11 . 1 1 103 103 LYS CB C 103 39.951 39.951 34.281 5.670 19627 4585 1 11 . 1 1 104 104 ARG N N 104 122.088 122.088 119.228 2.860 19627 4586 1 11 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.837 -0.029 19627 4587 1 11 . 1 1 104 104 ARG C C 104 174.517 174.517 175.508 -0.991 19627 4588 1 11 . 1 1 104 104 ARG CA C 104 55.684 55.684 55.234 0.450 19627 4589 1 11 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.005 2.944 19627 4590 1 11 . 1 1 105 105 LEU N N 105 126.226 126.226 123.679 2.547 19627 4591 1 11 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.499 0.990 19627 4592 1 11 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.269 -0.127 19627 4593 1 11 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.658 3.194 19627 4594 1 11 . 1 1 106 106 GLU N N 106 120.408 120.408 123.489 -3.081 19627 4595 1 11 . 1 1 106 106 GLU HA H 106 5.345 5.345 5.037 0.308 19627 4596 1 11 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.280 -1.032 19627 4597 1 11 . 1 1 106 106 GLU CB C 106 34.552 34.552 30.486 4.066 19627 4598 1 11 . 1 1 107 107 LYS N N 107 127.864 127.864 120.738 7.126 19627 4599 1 11 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.187 0.287 19627 4600 1 11 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.518 -0.614 19627 4601 1 11 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.386 -0.013 19627 4602 1 11 . 1 1 108 108 TYR N N 108 127.870 127.870 120.643 7.227 19627 4603 1 11 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.577 -0.136 19627 4604 1 11 . 1 1 108 108 TYR CA C 108 57.519 57.519 56.753 0.766 19627 4605 1 11 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.754 1.369 19627 4606 1 11 . 1 1 109 109 ASN N N 109 123.534 123.534 126.172 -2.638 19627 4607 1 11 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.389 0.187 19627 4608 1 11 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.800 -0.780 19627 4609 1 11 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.684 2.912 19627 4610 1 12 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.420 0.100 19627 4611 1 12 . 1 1 2 2 ASP CA C 2 55.206 55.206 55.261 -0.055 19627 4612 1 12 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.309 -0.084 19627 4613 1 12 . 1 1 3 3 GLU N N 3 119.869 119.869 120.271 -0.402 19627 4614 1 12 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.535 -0.336 19627 4615 1 12 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.455 0.574 19627 4616 1 12 . 1 1 3 3 GLU CB C 3 29.820 29.820 30.089 -0.269 19627 4617 1 12 . 1 1 4 4 ASP N N 4 119.650 119.650 120.335 -0.685 19627 4618 1 12 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.841 -0.401 19627 4619 1 12 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.405 0.713 19627 4620 1 12 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.916 -0.671 19627 4621 1 12 . 1 1 5 5 ASP N N 5 119.339 119.339 120.201 -0.862 19627 4622 1 12 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.785 -0.155 19627 4623 1 12 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.421 0.340 19627 4624 1 12 . 1 1 5 5 ASP CB C 5 40.866 40.866 40.863 0.003 19627 4625 1 12 . 1 1 6 6 LYS N N 6 121.265 121.265 117.948 3.317 19627 4626 1 12 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.567 -0.350 19627 4627 1 12 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.085 1.024 19627 4628 1 12 . 1 1 6 6 LYS CB C 6 33.916 33.916 36.340 -2.424 19627 4629 1 12 . 1 1 7 7 VAL N N 7 122.743 122.743 122.180 0.563 19627 4630 1 12 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.046 0.005 19627 4631 1 12 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.779 -0.275 19627 4632 1 12 . 1 1 7 7 VAL CB C 7 33.738 33.738 31.378 2.360 19627 4633 1 12 . 1 1 8 8 GLU N N 8 129.254 129.254 128.085 1.169 19627 4634 1 12 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.599 0.005 19627 4635 1 12 . 1 1 8 8 GLU CA C 8 54.083 54.083 54.487 -0.404 19627 4636 1 12 . 1 1 8 8 GLU CB C 8 30.047 30.047 32.144 -2.097 19627 4637 1 12 . 1 1 9 9 ILE N N 9 123.662 123.662 124.038 -0.376 19627 4638 1 12 . 1 1 9 9 ILE HA H 9 3.819 3.819 3.987 -0.168 19627 4639 1 12 . 1 1 9 9 ILE CA C 9 63.426 63.426 65.632 -2.206 19627 4640 1 12 . 1 1 9 9 ILE CB C 9 34.840 34.840 36.011 -1.171 19627 4641 1 12 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.338 0.000 19627 4642 1 12 . 1 1 10 10 PRO CA C 10 65.786 65.786 65.096 0.690 19627 4643 1 12 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.268 0.591 19627 4644 1 12 . 1 1 11 11 GLN N N 11 112.602 112.602 116.653 -4.051 19627 4645 1 12 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.287 -0.065 19627 4646 1 12 . 1 1 11 11 GLN C C 11 176.461 176.461 178.031 -1.570 19627 4647 1 12 . 1 1 11 11 GLN CA C 11 55.805 55.805 57.482 -1.677 19627 4648 1 12 . 1 1 11 11 GLN CB C 11 27.861 27.861 27.619 0.242 19627 4649 1 12 . 1 1 12 12 LEU N N 12 119.555 119.555 121.330 -1.775 19627 4650 1 12 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.174 -0.266 19627 4651 1 12 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.663 0.452 19627 4652 1 12 . 1 1 12 12 LEU CB C 12 43.303 43.303 42.073 1.230 19627 4653 1 12 . 1 1 13 13 VAL N N 13 112.720 112.720 115.846 -3.126 19627 4654 1 12 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.971 -0.219 19627 4655 1 12 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.768 -0.051 19627 4656 1 12 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.812 1.217 19627 4657 1 12 . 1 1 14 14 GLY N N 14 116.042 116.042 106.392 9.650 19627 4658 1 12 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.357 -0.606 19627 4659 1 12 . 1 1 15 15 LYS N N 15 120.788 120.788 118.240 2.548 19627 4660 1 12 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.860 0.325 19627 4661 1 12 . 1 1 15 15 LYS CA C 15 55.797 55.797 54.660 1.137 19627 4662 1 12 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.931 0.229 19627 4663 1 12 . 1 1 16 16 TRP N N 16 123.983 123.983 121.458 2.525 19627 4664 1 12 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.943 -0.028 19627 4665 1 12 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.726 -0.926 19627 4666 1 12 . 1 1 16 16 TRP CB C 16 34.179 34.179 31.927 2.252 19627 4667 1 12 . 1 1 17 17 ILE N N 17 122.229 122.229 123.766 -1.537 19627 4668 1 12 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.728 0.164 19627 4669 1 12 . 1 1 17 17 ILE CA C 17 58.782 58.782 60.726 -1.944 19627 4670 1 12 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.309 0.275 19627 4671 1 12 . 1 1 18 18 VAL N N 18 126.326 126.326 127.232 -0.906 19627 4672 1 12 . 1 1 18 18 VAL HA H 18 3.841 3.841 3.824 0.017 19627 4673 1 12 . 1 1 18 18 VAL CA C 18 64.643 64.643 64.138 0.505 19627 4674 1 12 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.177 0.392 19627 4675 1 12 . 1 1 19 19 LYS N N 19 129.061 129.061 117.780 11.281 19627 4676 1 12 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.156 0.300 19627 4677 1 12 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.718 -2.194 19627 4678 1 12 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.658 2.515 19627 4679 1 12 . 1 1 20 20 GLU N N 20 118.305 118.305 120.787 -2.482 19627 4680 1 12 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.798 -0.408 19627 4681 1 12 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.259 0.859 19627 4682 1 12 . 1 1 20 20 GLU CB C 20 33.513 33.513 30.898 2.615 19627 4683 1 12 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.483 0.124 19627 4684 1 12 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.477 0.152 19627 4685 1 12 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.743 2.047 19627 4686 1 12 . 1 1 22 22 VAL N N 22 119.998 119.998 119.908 0.090 19627 4687 1 12 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.977 0.040 19627 4688 1 12 . 1 1 22 22 VAL CA C 22 62.374 62.374 62.902 -0.528 19627 4689 1 12 . 1 1 22 22 VAL CB C 22 32.937 32.937 31.912 1.025 19627 4690 1 12 . 1 1 23 23 LEU N N 23 128.343 128.343 127.663 0.680 19627 4691 1 12 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.666 -0.219 19627 4692 1 12 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.193 -0.003 19627 4693 1 12 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.671 0.157 19627 4694 1 12 . 1 1 24 24 GLN N N 24 117.971 117.971 117.291 0.680 19627 4695 1 12 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.458 -0.198 19627 4696 1 12 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.069 0.529 19627 4697 1 12 . 1 1 24 24 GLN CB C 24 30.104 30.104 30.358 -0.254 19627 4698 1 12 . 1 1 25 25 ASP N N 25 117.501 117.501 119.054 -1.553 19627 4699 1 12 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.314 -0.108 19627 4700 1 12 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.175 0.594 19627 4701 1 12 . 1 1 25 25 ASP CB C 25 39.962 39.962 39.972 -0.010 19627 4702 1 12 . 1 1 26 26 ASP N N 26 112.782 112.782 114.190 -1.408 19627 4703 1 12 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.352 -0.017 19627 4704 1 12 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.479 -0.320 19627 4705 1 12 . 1 1 26 26 ASP CB C 26 39.737 39.737 40.429 -0.693 19627 4706 1 12 . 1 1 27 27 PHE N N 27 118.623 118.623 119.747 -1.124 19627 4707 1 12 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.314 0.113 19627 4708 1 12 . 1 1 27 27 PHE CA C 27 58.011 58.011 58.797 -0.786 19627 4709 1 12 . 1 1 27 27 PHE CB C 27 40.533 40.533 39.051 1.482 19627 4710 1 12 . 1 1 28 28 VAL N N 28 119.117 119.117 117.133 1.984 19627 4711 1 12 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.614 -0.114 19627 4712 1 12 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.177 0.723 19627 4713 1 12 . 1 1 28 28 VAL CB C 28 36.175 36.175 35.343 0.832 19627 4714 1 12 . 1 1 29 29 THR N N 29 124.304 124.304 115.322 8.982 19627 4715 1 12 . 1 1 29 29 THR HA H 29 5.212 5.212 4.561 0.651 19627 4716 1 12 . 1 1 29 29 THR CA C 29 62.051 62.051 61.733 0.318 19627 4717 1 12 . 1 1 29 29 THR CB C 29 70.541 70.541 71.655 -1.114 19627 4718 1 12 . 1 1 30 30 CYS N N 30 123.969 123.969 121.139 2.830 19627 4719 1 12 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.439 0.142 19627 4720 1 12 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.349 -0.283 19627 4721 1 12 . 1 1 30 30 CYS CB C 30 31.010 31.010 28.661 2.349 19627 4722 1 12 . 1 1 31 31 TYR N N 31 125.131 125.131 126.580 -1.449 19627 4723 1 12 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.588 0.577 19627 4724 1 12 . 1 1 31 31 TYR CA C 31 57.270 57.270 57.906 -0.636 19627 4725 1 12 . 1 1 31 31 TYR CB C 31 43.631 43.631 37.139 6.492 19627 4726 1 12 . 1 1 32 32 THR N N 32 118.682 118.682 121.322 -2.640 19627 4727 1 12 . 1 1 32 32 THR HA H 32 5.122 5.122 4.808 0.314 19627 4728 1 12 . 1 1 32 32 THR CA C 32 61.828 61.828 61.864 -0.036 19627 4729 1 12 . 1 1 32 32 THR CB C 32 70.848 70.848 69.596 1.252 19627 4730 1 12 . 1 1 33 33 PHE N N 33 123.161 123.161 126.208 -3.047 19627 4731 1 12 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.680 0.164 19627 4732 1 12 . 1 1 33 33 PHE CA C 33 57.983 57.983 57.741 0.242 19627 4733 1 12 . 1 1 33 33 PHE CB C 33 40.905 40.905 40.211 0.694 19627 4734 1 12 . 1 1 34 34 ASN N N 34 119.699 119.699 116.723 2.976 19627 4735 1 12 . 1 1 34 34 ASN HA H 34 5.355 5.355 5.024 0.331 19627 4736 1 12 . 1 1 34 34 ASN CA C 34 52.483 52.483 52.239 0.244 19627 4737 1 12 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.402 0.041 19627 4738 1 12 . 1 1 35 35 ALA N N 35 128.044 128.044 120.556 7.488 19627 4739 1 12 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.451 -0.284 19627 4740 1 12 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.182 0.632 19627 4741 1 12 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.276 -0.871 19627 4742 1 12 . 1 1 36 36 ASP N N 36 116.944 116.944 113.766 3.178 19627 4743 1 12 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.660 -0.223 19627 4744 1 12 . 1 1 36 36 ASP CA C 36 53.395 53.395 55.278 -1.883 19627 4745 1 12 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.002 -1.490 19627 4746 1 12 . 1 1 37 37 LYS N N 37 108.202 108.202 120.006 -11.804 19627 4747 1 12 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.268 -1.004 19627 4748 1 12 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.797 1.278 19627 4749 1 12 . 1 1 37 37 LYS CB C 37 27.597 27.597 32.864 -5.267 19627 4750 1 12 . 1 1 38 38 THR N N 38 107.877 107.877 110.212 -2.335 19627 4751 1 12 . 1 1 38 38 THR HA H 38 5.403 5.403 4.704 0.699 19627 4752 1 12 . 1 1 38 38 THR CA C 38 61.011 61.011 60.553 0.458 19627 4753 1 12 . 1 1 38 38 THR CB C 38 72.829 72.829 69.992 2.837 19627 4754 1 12 . 1 1 39 39 TYR N N 39 117.837 117.837 117.751 0.086 19627 4755 1 12 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.356 0.358 19627 4756 1 12 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.224 0.518 19627 4757 1 12 . 1 1 39 39 TYR CB C 39 43.579 43.579 40.282 3.297 19627 4758 1 12 . 1 1 40 40 GLU N N 40 118.677 118.677 119.135 -0.458 19627 4759 1 12 . 1 1 40 40 GLU HA H 40 5.253 5.253 4.811 0.442 19627 4760 1 12 . 1 1 40 40 GLU CA C 40 54.059 54.059 56.170 -2.111 19627 4761 1 12 . 1 1 40 40 GLU CB C 40 34.955 34.955 33.484 1.471 19627 4762 1 12 . 1 1 41 41 VAL N N 41 121.838 121.838 118.778 3.060 19627 4763 1 12 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.643 0.516 19627 4764 1 12 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.170 0.370 19627 4765 1 12 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.290 0.034 19627 4766 1 12 . 1 1 42 42 TYR N N 42 126.740 126.740 116.261 10.479 19627 4767 1 12 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.760 0.055 19627 4768 1 12 . 1 1 42 42 TYR CA C 42 56.841 56.841 57.537 -0.696 19627 4769 1 12 . 1 1 42 42 TYR CB C 42 42.293 42.293 39.373 2.921 19627 4770 1 12 . 1 1 43 43 THR N N 43 122.111 122.111 122.238 -0.127 19627 4771 1 12 . 1 1 43 43 THR HA H 43 5.126 5.126 4.596 0.530 19627 4772 1 12 . 1 1 43 43 THR CA C 43 60.915 60.915 60.834 0.081 19627 4773 1 12 . 1 1 43 43 THR CB C 43 70.667 70.667 68.514 2.153 19627 4774 1 12 . 1 1 44 44 GLY N N 44 112.123 112.123 115.904 -3.781 19627 4775 1 12 . 1 1 44 44 GLY CA C 44 45.038 45.038 44.762 0.276 19627 4776 1 12 . 1 1 45 45 SER N N 45 118.181 118.181 115.828 2.353 19627 4777 1 12 . 1 1 45 45 SER HA H 45 4.736 4.736 4.720 0.016 19627 4778 1 12 . 1 1 45 45 SER CA C 45 55.721 55.721 56.207 -0.486 19627 4779 1 12 . 1 1 45 45 SER CB C 45 64.234 64.234 65.312 -1.078 19627 4780 1 12 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.538 -0.260 19627 4781 1 12 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.855 0.048 19627 4782 1 12 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.005 0.095 19627 4783 1 12 . 1 1 47 47 LEU N N 47 115.053 115.053 117.755 -2.702 19627 4784 1 12 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.647 -0.371 19627 4785 1 12 . 1 1 47 47 LEU CA C 47 54.820 54.820 53.975 0.845 19627 4786 1 12 . 1 1 47 47 LEU CB C 47 42.497 42.497 40.700 1.798 19627 4787 1 12 . 1 1 48 48 SER N N 48 114.930 114.930 115.326 -0.396 19627 4788 1 12 . 1 1 48 48 SER HA H 48 4.418 4.418 4.111 0.307 19627 4789 1 12 . 1 1 48 48 SER CA C 48 57.896 57.896 58.469 -0.573 19627 4790 1 12 . 1 1 48 48 SER CB C 48 64.328 64.328 62.645 1.683 19627 4791 1 12 . 1 1 49 49 ASN N N 49 121.801 121.801 119.172 2.629 19627 4792 1 12 . 1 1 49 49 ASN HA H 49 4.683 4.683 3.895 0.788 19627 4793 1 12 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.138 0.109 19627 4794 1 12 . 1 1 49 49 ASN CB C 49 39.147 39.147 38.345 0.802 19627 4795 1 12 . 1 1 50 50 GLY N N 50 108.685 108.685 106.119 2.566 19627 4796 1 12 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.225 -0.176 19627 4797 1 12 . 1 1 51 51 VAL N N 51 121.162 121.162 122.619 -1.457 19627 4798 1 12 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.250 0.144 19627 4799 1 12 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.622 0.036 19627 4800 1 12 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.711 0.773 19627 4801 1 12 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.551 0.110 19627 4802 1 12 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.460 0.433 19627 4803 1 12 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.627 0.269 19627 4804 1 12 . 1 1 53 53 PHE N N 53 123.537 123.537 119.840 3.697 19627 4805 1 12 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.751 -0.173 19627 4806 1 12 . 1 1 53 53 PHE CA C 53 57.762 57.762 55.827 1.935 19627 4807 1 12 . 1 1 53 53 PHE CB C 53 40.652 40.652 42.661 -2.009 19627 4808 1 12 . 1 1 54 54 ARG N N 54 124.570 124.570 119.337 5.233 19627 4809 1 12 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.671 0.223 19627 4810 1 12 . 1 1 54 54 ARG CA C 54 54.601 54.601 53.998 0.603 19627 4811 1 12 . 1 1 54 54 ARG CB C 54 33.401 33.401 33.203 0.198 19627 4812 1 12 . 1 1 55 55 GLY N N 55 107.998 107.998 108.141 -0.143 19627 4813 1 12 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.189 0.353 19627 4814 1 12 . 1 1 56 56 THR N N 56 114.021 114.021 114.367 -0.346 19627 4815 1 12 . 1 1 56 56 THR HA H 56 5.777 5.777 5.040 0.737 19627 4816 1 12 . 1 1 56 56 THR CA C 56 60.409 60.409 60.817 -0.408 19627 4817 1 12 . 1 1 56 56 THR CB C 56 72.641 72.641 71.506 1.135 19627 4818 1 12 . 1 1 57 57 TYR N N 57 115.684 115.684 123.250 -7.566 19627 4819 1 12 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.584 0.672 19627 4820 1 12 . 1 1 57 57 TYR CA C 57 55.645 55.645 56.368 -0.723 19627 4821 1 12 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.081 2.271 19627 4822 1 12 . 1 1 58 58 ILE N N 58 118.048 118.048 120.796 -2.748 19627 4823 1 12 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.353 0.002 19627 4824 1 12 . 1 1 58 58 ILE CA C 58 60.009 60.009 59.885 0.124 19627 4825 1 12 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.378 0.547 19627 4826 1 12 . 1 1 59 59 ILE N N 59 124.887 124.887 125.316 -0.429 19627 4827 1 12 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.969 0.035 19627 4828 1 12 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.531 -1.256 19627 4829 1 12 . 1 1 59 59 ILE CB C 59 40.709 40.709 38.750 1.959 19627 4830 1 12 . 1 1 60 60 SER N N 60 122.768 122.768 121.242 1.526 19627 4831 1 12 . 1 1 60 60 SER HA H 60 4.835 4.835 4.752 0.083 19627 4832 1 12 . 1 1 60 60 SER CA C 60 55.735 55.735 57.245 -1.510 19627 4833 1 12 . 1 1 60 60 SER CB C 60 63.250 63.250 64.464 -1.214 19627 4834 1 12 . 1 1 61 61 LEU N N 61 129.303 129.303 126.597 2.706 19627 4835 1 12 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.271 -0.425 19627 4836 1 12 . 1 1 61 61 LEU CA C 61 58.659 58.659 56.610 2.049 19627 4837 1 12 . 1 1 61 61 LEU CB C 61 41.962 41.962 41.699 0.264 19627 4838 1 12 . 1 1 62 62 ASP N N 62 118.454 118.454 120.630 -2.176 19627 4839 1 12 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.501 -0.198 19627 4840 1 12 . 1 1 62 62 ASP CA C 62 57.114 57.114 55.950 1.164 19627 4841 1 12 . 1 1 62 62 ASP CB C 62 40.178 40.178 41.076 -0.898 19627 4842 1 12 . 1 1 63 63 GLU N N 63 115.083 115.083 117.673 -2.590 19627 4843 1 12 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.426 -0.195 19627 4844 1 12 . 1 1 63 63 GLU CA C 63 55.915 55.915 55.734 0.180 19627 4845 1 12 . 1 1 63 63 GLU CB C 63 31.398 31.398 30.142 1.256 19627 4846 1 12 . 1 1 64 64 LYS N N 64 117.578 117.578 118.594 -1.016 19627 4847 1 12 . 1 1 65 65 LEU N N 65 119.527 119.527 118.076 1.451 19627 4848 1 12 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.878 0.272 19627 4849 1 12 . 1 1 65 65 LEU CA C 65 53.355 53.355 52.889 0.466 19627 4850 1 12 . 1 1 65 65 LEU CB C 65 47.627 47.627 46.057 1.570 19627 4851 1 12 . 1 1 66 66 ILE N N 66 123.527 123.527 122.982 0.545 19627 4852 1 12 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.194 -0.191 19627 4853 1 12 . 1 1 66 66 ILE CA C 66 58.348 58.348 59.270 -0.922 19627 4854 1 12 . 1 1 66 66 ILE CB C 66 42.093 42.093 41.442 0.651 19627 4855 1 12 . 1 1 67 67 LYS N N 67 125.168 125.168 127.147 -1.979 19627 4856 1 12 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.888 -0.481 19627 4857 1 12 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.268 1.014 19627 4858 1 12 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.668 -0.420 19627 4859 1 12 . 1 1 68 68 LEU N N 68 123.218 123.218 119.916 3.302 19627 4860 1 12 . 1 1 68 68 LEU HA H 68 4.798 4.798 5.358 -0.560 19627 4861 1 12 . 1 1 68 68 LEU CA C 68 54.830 54.830 52.906 1.924 19627 4862 1 12 . 1 1 68 68 LEU CB C 68 40.826 40.826 44.585 -3.759 19627 4863 1 12 . 1 1 69 69 TYR N N 69 119.751 119.751 120.090 -0.339 19627 4864 1 12 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.266 0.158 19627 4865 1 12 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.222 -0.056 19627 4866 1 12 . 1 1 69 69 TYR CB C 69 42.319 42.319 42.602 -0.284 19627 4867 1 12 . 1 1 70 70 ASP N N 70 120.335 120.335 122.682 -2.347 19627 4868 1 12 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.431 -0.389 19627 4869 1 12 . 1 1 70 70 ASP CA C 70 52.428 52.428 53.417 -0.989 19627 4870 1 12 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.757 -0.547 19627 4871 1 12 . 1 1 71 71 LYS N N 71 117.975 117.975 120.617 -2.642 19627 4872 1 12 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.194 0.011 19627 4873 1 12 . 1 1 71 71 LYS CA C 71 58.189 58.189 59.145 -0.956 19627 4874 1 12 . 1 1 71 71 LYS CB C 71 32.224 32.224 32.010 0.214 19627 4875 1 12 . 1 1 72 72 GLU N N 72 119.779 119.779 118.849 0.930 19627 4876 1 12 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.156 0.120 19627 4877 1 12 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.939 -1.116 19627 4878 1 12 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.042 0.597 19627 4879 1 12 . 1 1 73 73 GLU N N 73 112.572 112.572 113.604 -1.032 19627 4880 1 12 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.255 -0.649 19627 4881 1 12 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.835 0.256 19627 4882 1 12 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.938 -1.038 19627 4883 1 12 . 1 1 74 74 HIS N N 74 118.561 118.561 116.339 2.222 19627 4884 1 12 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.790 0.082 19627 4885 1 12 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.617 -0.126 19627 4886 1 12 . 1 1 74 74 HIS CB C 74 28.650 28.650 30.855 -2.205 19627 4887 1 12 . 1 1 75 75 CYS N N 75 126.459 126.459 119.086 7.373 19627 4888 1 12 . 1 1 75 75 CYS HA H 75 4.050 4.050 4.521 -0.471 19627 4889 1 12 . 1 1 75 75 CYS CA C 75 58.539 58.539 57.235 1.304 19627 4890 1 12 . 1 1 75 75 CYS CB C 75 26.305 26.305 30.399 -4.095 19627 4891 1 12 . 1 1 76 76 THR N N 76 123.868 123.868 111.841 12.027 19627 4892 1 12 . 1 1 76 76 THR HA H 76 4.115 4.115 4.235 -0.120 19627 4893 1 12 . 1 1 76 76 THR CA C 76 62.701 62.701 62.110 0.591 19627 4894 1 12 . 1 1 76 76 THR CB C 76 68.451 68.451 70.350 -1.899 19627 4895 1 12 . 1 1 77 77 GLU N N 77 120.185 120.185 120.291 -0.106 19627 4896 1 12 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.414 -0.239 19627 4897 1 12 . 1 1 77 77 GLU CA C 77 54.697 54.697 54.887 -0.190 19627 4898 1 12 . 1 1 77 77 GLU CB C 77 34.100 34.100 32.434 1.666 19627 4899 1 12 . 1 1 78 78 GLN N N 78 118.401 118.401 117.461 0.940 19627 4900 1 12 . 1 1 78 78 GLN HA H 78 4.697 4.697 5.015 -0.318 19627 4901 1 12 . 1 1 78 78 GLN CA C 78 53.933 53.933 53.841 0.092 19627 4902 1 12 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.212 -0.371 19627 4903 1 12 . 1 1 79 79 TYR N N 79 116.069 116.069 116.152 -0.083 19627 4904 1 12 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.883 -0.033 19627 4905 1 12 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.621 -0.622 19627 4906 1 12 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.635 0.178 19627 4907 1 12 . 1 1 80 80 HIS N N 80 119.747 119.747 121.085 -1.338 19627 4908 1 12 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.504 0.669 19627 4909 1 12 . 1 1 80 80 HIS CA C 80 55.121 55.121 57.180 -2.059 19627 4910 1 12 . 1 1 80 80 HIS CB C 80 29.720 29.720 30.710 -0.990 19627 4911 1 12 . 1 1 81 81 ILE N N 81 126.268 126.268 116.110 10.158 19627 4912 1 12 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.084 1.136 19627 4913 1 12 . 1 1 81 81 ILE CA C 81 61.739 61.739 62.486 -0.747 19627 4914 1 12 . 1 1 81 81 ILE CB C 81 38.354 38.354 36.965 1.389 19627 4915 1 12 . 1 1 82 82 LEU N N 82 127.552 127.552 122.489 5.063 19627 4916 1 12 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.534 -0.440 19627 4917 1 12 . 1 1 82 82 LEU CA C 82 55.392 55.392 54.833 0.559 19627 4918 1 12 . 1 1 82 82 LEU CB C 82 43.115 43.115 43.527 -0.412 19627 4919 1 12 . 1 1 83 83 LYS N N 83 115.809 115.809 118.693 -2.884 19627 4920 1 12 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.602 -0.402 19627 4921 1 12 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.115 0.578 19627 4922 1 12 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.823 0.099 19627 4923 1 12 . 1 1 84 84 LEU N N 84 129.953 129.953 125.392 4.561 19627 4924 1 12 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.898 -0.064 19627 4925 1 12 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.861 -0.247 19627 4926 1 12 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.923 -2.156 19627 4927 1 12 . 1 1 85 85 THR N N 85 119.648 119.648 114.039 5.609 19627 4928 1 12 . 1 1 85 85 THR HA H 85 4.897 4.897 4.786 0.111 19627 4929 1 12 . 1 1 85 85 THR CA C 85 58.717 58.717 60.403 -1.686 19627 4930 1 12 . 1 1 85 85 THR CB C 85 72.356 72.356 71.012 1.344 19627 4931 1 12 . 1 1 86 86 SER N N 86 108.790 108.790 114.353 -5.563 19627 4932 1 12 . 1 1 86 86 SER HA H 86 4.165 4.165 4.320 -0.155 19627 4933 1 12 . 1 1 86 86 SER CA C 86 60.370 60.370 61.483 -1.113 19627 4934 1 12 . 1 1 86 86 SER CB C 86 63.258 63.258 63.256 0.002 19627 4935 1 12 . 1 1 87 87 LYS N N 87 116.161 116.161 113.481 2.680 19627 4936 1 12 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.435 0.079 19627 4937 1 12 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.028 0.451 19627 4938 1 12 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.399 1.965 19627 4939 1 12 . 1 1 88 88 GLU N N 88 119.485 119.485 120.709 -1.224 19627 4940 1 12 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.810 0.653 19627 4941 1 12 . 1 1 88 88 GLU CA C 88 55.595 55.595 56.021 -0.426 19627 4942 1 12 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.681 1.919 19627 4943 1 12 . 1 1 89 89 MET N N 89 122.595 122.595 126.872 -4.277 19627 4944 1 12 . 1 1 89 89 MET HA H 89 4.940 4.940 4.952 -0.012 19627 4945 1 12 . 1 1 89 89 MET CA C 89 53.785 53.785 54.303 -0.519 19627 4946 1 12 . 1 1 89 89 MET CB C 89 36.210 36.210 36.604 -0.394 19627 4947 1 12 . 1 1 90 90 LYS N N 90 124.449 124.449 125.052 -0.603 19627 4948 1 12 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.754 0.041 19627 4949 1 12 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.541 -0.188 19627 4950 1 12 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.894 2.869 19627 4951 1 12 . 1 1 91 91 TRP N N 91 125.457 125.457 124.855 0.602 19627 4952 1 12 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.573 0.941 19627 4953 1 12 . 1 1 91 91 TRP CA C 91 52.510 52.510 56.568 -4.058 19627 4954 1 12 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.821 3.931 19627 4955 1 12 . 1 1 92 92 GLU N N 92 123.111 123.111 125.671 -2.560 19627 4956 1 12 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.301 0.574 19627 4957 1 12 . 1 1 92 92 GLU C C 92 176.109 176.109 177.328 -1.219 19627 4958 1 12 . 1 1 92 92 GLU CA C 92 53.610 53.610 55.349 -1.739 19627 4959 1 12 . 1 1 92 92 GLU CB C 92 33.384 33.384 31.822 1.562 19627 4960 1 12 . 1 1 93 93 ASN N N 93 126.757 126.757 126.172 0.585 19627 4961 1 12 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.568 -0.165 19627 4962 1 12 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.414 -1.422 19627 4963 1 12 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.762 -1.159 19627 4964 1 12 . 1 1 94 94 ALA N N 94 130.509 130.509 122.171 8.338 19627 4965 1 12 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.083 0.122 19627 4966 1 12 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.076 -2.014 19627 4967 1 12 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.300 1.710 19627 4968 1 12 . 1 1 95 95 SER N N 95 114.601 114.601 116.090 -1.489 19627 4969 1 12 . 1 1 95 95 SER HA H 95 4.545 4.545 4.927 -0.382 19627 4970 1 12 . 1 1 95 95 SER CA C 95 54.544 54.544 54.879 -0.335 19627 4971 1 12 . 1 1 95 95 SER CB C 95 63.081 63.081 63.613 -0.532 19627 4972 1 12 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.305 -0.001 19627 4973 1 12 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.382 0.207 19627 4974 1 12 . 1 1 96 96 PRO CB C 96 32.258 32.258 32.089 0.169 19627 4975 1 12 . 1 1 97 97 LYS N N 97 118.117 118.117 118.647 -0.530 19627 4976 1 12 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.055 0.093 19627 4977 1 12 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.652 -1.205 19627 4978 1 12 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.607 0.384 19627 4979 1 12 . 1 1 98 98 ASP N N 98 119.820 119.820 117.350 2.470 19627 4980 1 12 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.499 -0.174 19627 4981 1 12 . 1 1 98 98 ASP CA C 98 54.598 54.598 55.426 -0.828 19627 4982 1 12 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.542 -0.760 19627 4983 1 12 . 1 1 99 99 GLY N N 99 107.593 107.593 105.955 1.638 19627 4984 1 12 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.685 0.951 19627 4985 1 12 . 1 1 100 100 ASN N N 100 119.859 119.859 118.533 1.326 19627 4986 1 12 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.883 -0.163 19627 4987 1 12 . 1 1 100 100 ASN C C 100 175.832 175.832 174.758 1.074 19627 4988 1 12 . 1 1 100 100 ASN CA C 100 53.853 53.853 53.083 0.770 19627 4989 1 12 . 1 1 100 100 ASN CB C 100 38.772 38.772 39.737 -0.966 19627 4990 1 12 . 1 1 101 101 SER N N 101 117.380 117.380 114.730 2.650 19627 4991 1 12 . 1 1 101 101 SER HA H 101 4.533 4.533 4.711 -0.178 19627 4992 1 12 . 1 1 101 101 SER C C 101 175.075 175.075 174.399 0.676 19627 4993 1 12 . 1 1 101 101 SER CA C 101 57.658 57.658 57.282 0.376 19627 4994 1 12 . 1 1 101 101 SER CB C 101 64.927 64.927 65.195 -0.268 19627 4995 1 12 . 1 1 102 102 ASP N N 102 123.193 123.193 122.684 0.509 19627 4996 1 12 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.082 -0.476 19627 4997 1 12 . 1 1 102 102 ASP C C 102 177.297 177.297 175.775 1.522 19627 4998 1 12 . 1 1 102 102 ASP CA C 102 55.558 55.558 51.774 3.784 19627 4999 1 12 . 1 1 102 102 ASP CB C 102 40.668 40.668 39.694 0.974 19627 5000 1 12 . 1 1 103 103 LYS N N 103 117.188 117.188 119.298 -2.110 19627 5001 1 12 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.577 0.820 19627 5002 1 12 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.581 -0.020 19627 5003 1 12 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.344 6.607 19627 5004 1 12 . 1 1 104 104 ARG N N 104 122.088 122.088 118.818 3.270 19627 5005 1 12 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.760 0.048 19627 5006 1 12 . 1 1 104 104 ARG C C 104 174.517 174.517 175.448 -0.931 19627 5007 1 12 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.843 0.841 19627 5008 1 12 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.110 2.839 19627 5009 1 12 . 1 1 105 105 LEU N N 105 126.226 126.226 124.140 2.086 19627 5010 1 12 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.430 1.059 19627 5011 1 12 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.167 -0.025 19627 5012 1 12 . 1 1 105 105 LEU CB C 105 45.852 45.852 41.478 4.374 19627 5013 1 12 . 1 1 106 106 GLU N N 106 120.408 120.408 125.817 -5.409 19627 5014 1 12 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.685 0.660 19627 5015 1 12 . 1 1 106 106 GLU CA C 106 54.248 54.248 54.928 -0.680 19627 5016 1 12 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.712 4.840 19627 5017 1 12 . 1 1 107 107 LYS N N 107 127.864 127.864 119.443 8.421 19627 5018 1 12 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.312 0.162 19627 5019 1 12 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.553 -0.649 19627 5020 1 12 . 1 1 107 107 LYS CB C 107 32.373 32.373 31.775 0.598 19627 5021 1 12 . 1 1 108 108 TYR N N 108 127.870 127.870 121.991 5.879 19627 5022 1 12 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.549 -0.108 19627 5023 1 12 . 1 1 108 108 TYR CA C 108 57.519 57.519 56.983 0.536 19627 5024 1 12 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.323 1.800 19627 5025 1 12 . 1 1 109 109 ASN N N 109 123.534 123.534 127.653 -4.119 19627 5026 1 12 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.419 0.157 19627 5027 1 12 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.883 -0.863 19627 5028 1 12 . 1 1 109 109 ASN CB C 109 40.596 40.596 38.363 2.233 19627 5029 1 13 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.456 0.064 19627 5030 1 13 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.798 0.408 19627 5031 1 13 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.097 0.128 19627 5032 1 13 . 1 1 3 3 GLU N N 3 119.869 119.869 122.938 -3.069 19627 5033 1 13 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.349 -0.150 19627 5034 1 13 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.435 0.594 19627 5035 1 13 . 1 1 3 3 GLU CB C 3 29.820 29.820 30.015 -0.195 19627 5036 1 13 . 1 1 4 4 ASP N N 4 119.650 119.650 119.174 0.476 19627 5037 1 13 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.365 0.075 19627 5038 1 13 . 1 1 4 4 ASP CA C 4 55.118 55.118 55.385 -0.267 19627 5039 1 13 . 1 1 4 4 ASP CB C 4 41.245 41.245 40.413 0.833 19627 5040 1 13 . 1 1 5 5 ASP N N 5 119.339 119.339 118.050 1.289 19627 5041 1 13 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.733 -0.103 19627 5042 1 13 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.907 -0.146 19627 5043 1 13 . 1 1 5 5 ASP CB C 5 40.866 40.866 40.946 -0.080 19627 5044 1 13 . 1 1 6 6 LYS N N 6 121.265 121.265 119.790 1.475 19627 5045 1 13 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.741 -0.524 19627 5046 1 13 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.023 1.086 19627 5047 1 13 . 1 1 6 6 LYS CB C 6 33.916 33.916 34.535 -0.619 19627 5048 1 13 . 1 1 7 7 VAL N N 7 122.743 122.743 118.059 4.684 19627 5049 1 13 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.598 -0.547 19627 5050 1 13 . 1 1 7 7 VAL CA C 7 62.504 62.504 60.713 1.791 19627 5051 1 13 . 1 1 7 7 VAL CB C 7 33.738 33.738 34.806 -1.068 19627 5052 1 13 . 1 1 8 8 GLU N N 8 129.254 129.254 125.036 4.218 19627 5053 1 13 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.615 -0.011 19627 5054 1 13 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.676 -1.593 19627 5055 1 13 . 1 1 8 8 GLU CB C 8 30.047 30.047 30.031 0.016 19627 5056 1 13 . 1 1 9 9 ILE N N 9 123.662 123.662 124.091 -0.429 19627 5057 1 13 . 1 1 9 9 ILE HA H 9 3.819 3.819 3.985 -0.166 19627 5058 1 13 . 1 1 9 9 ILE CA C 9 63.426 63.426 65.276 -1.851 19627 5059 1 13 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.925 -1.085 19627 5060 1 13 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.348 -0.010 19627 5061 1 13 . 1 1 10 10 PRO CA C 10 65.786 65.786 65.237 0.548 19627 5062 1 13 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.123 0.736 19627 5063 1 13 . 1 1 11 11 GLN N N 11 112.602 112.602 117.535 -4.933 19627 5064 1 13 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.286 -0.064 19627 5065 1 13 . 1 1 11 11 GLN C C 11 176.461 176.461 177.358 -0.897 19627 5066 1 13 . 1 1 11 11 GLN CA C 11 55.805 55.805 57.359 -1.554 19627 5067 1 13 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.099 -0.238 19627 5068 1 13 . 1 1 12 12 LEU N N 12 119.555 119.555 120.473 -0.918 19627 5069 1 13 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.305 -0.397 19627 5070 1 13 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.251 0.864 19627 5071 1 13 . 1 1 12 12 LEU CB C 12 43.303 43.303 42.540 0.763 19627 5072 1 13 . 1 1 13 13 VAL N N 13 112.720 112.720 117.688 -4.968 19627 5073 1 13 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.366 0.386 19627 5074 1 13 . 1 1 13 13 VAL CA C 13 64.717 64.717 63.579 1.138 19627 5075 1 13 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.880 1.149 19627 5076 1 13 . 1 1 14 14 GLY N N 14 116.042 116.042 107.608 8.434 19627 5077 1 13 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.857 -1.106 19627 5078 1 13 . 1 1 15 15 LYS N N 15 120.788 120.788 117.191 3.597 19627 5079 1 13 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.740 0.445 19627 5080 1 13 . 1 1 15 15 LYS CA C 15 55.797 55.797 54.846 0.951 19627 5081 1 13 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.757 0.402 19627 5082 1 13 . 1 1 16 16 TRP N N 16 123.983 123.983 122.394 1.589 19627 5083 1 13 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.851 0.064 19627 5084 1 13 . 1 1 16 16 TRP CA C 16 55.800 55.800 55.942 -0.142 19627 5085 1 13 . 1 1 16 16 TRP CB C 16 34.179 34.179 31.143 3.035 19627 5086 1 13 . 1 1 17 17 ILE N N 17 122.229 122.229 124.328 -2.099 19627 5087 1 13 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.710 0.182 19627 5088 1 13 . 1 1 17 17 ILE CA C 17 58.782 58.782 61.343 -2.561 19627 5089 1 13 . 1 1 17 17 ILE CB C 17 40.584 40.584 39.945 0.639 19627 5090 1 13 . 1 1 18 18 VAL N N 18 126.326 126.326 128.781 -2.455 19627 5091 1 13 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.044 -0.203 19627 5092 1 13 . 1 1 18 18 VAL CA C 18 64.643 64.643 62.385 2.258 19627 5093 1 13 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.230 0.338 19627 5094 1 13 . 1 1 19 19 LYS N N 19 129.061 129.061 122.283 6.778 19627 5095 1 13 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.241 0.215 19627 5096 1 13 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.616 -2.092 19627 5097 1 13 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.628 2.545 19627 5098 1 13 . 1 1 20 20 GLU N N 20 118.305 118.305 119.676 -1.371 19627 5099 1 13 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.649 -0.259 19627 5100 1 13 . 1 1 20 20 GLU CA C 20 54.118 54.118 54.336 -0.218 19627 5101 1 13 . 1 1 20 20 GLU CB C 20 33.513 33.513 32.392 1.121 19627 5102 1 13 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.519 0.088 19627 5103 1 13 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.601 0.029 19627 5104 1 13 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.517 2.273 19627 5105 1 13 . 1 1 22 22 VAL N N 22 119.998 119.998 118.730 1.268 19627 5106 1 13 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.983 0.034 19627 5107 1 13 . 1 1 22 22 VAL CA C 22 62.374 62.374 62.210 0.164 19627 5108 1 13 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.401 0.536 19627 5109 1 13 . 1 1 23 23 LEU N N 23 128.343 128.343 123.027 5.316 19627 5110 1 13 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.701 -0.254 19627 5111 1 13 . 1 1 23 23 LEU CA C 23 54.190 54.190 53.640 0.550 19627 5112 1 13 . 1 1 23 23 LEU CB C 23 42.828 42.828 43.350 -0.522 19627 5113 1 13 . 1 1 24 24 GLN N N 24 117.971 117.971 120.404 -2.433 19627 5114 1 13 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.194 0.066 19627 5115 1 13 . 1 1 24 24 GLN CA C 24 55.598 55.598 57.142 -1.544 19627 5116 1 13 . 1 1 24 24 GLN CB C 24 30.104 30.104 28.987 1.117 19627 5117 1 13 . 1 1 25 25 ASP N N 25 117.501 117.501 117.633 -0.132 19627 5118 1 13 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.222 -0.016 19627 5119 1 13 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.332 0.437 19627 5120 1 13 . 1 1 25 25 ASP CB C 25 39.962 39.962 39.883 0.079 19627 5121 1 13 . 1 1 26 26 ASP N N 26 112.782 112.782 114.553 -1.771 19627 5122 1 13 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.137 0.198 19627 5123 1 13 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.523 -0.363 19627 5124 1 13 . 1 1 26 26 ASP CB C 26 39.737 39.737 40.101 -0.364 19627 5125 1 13 . 1 1 27 27 PHE N N 27 118.623 118.623 119.373 -0.750 19627 5126 1 13 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.412 0.015 19627 5127 1 13 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.558 -1.547 19627 5128 1 13 . 1 1 27 27 PHE CB C 27 40.533 40.533 38.506 2.027 19627 5129 1 13 . 1 1 28 28 VAL N N 28 119.117 119.117 117.817 1.300 19627 5130 1 13 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.718 -0.218 19627 5131 1 13 . 1 1 28 28 VAL CA C 28 60.900 60.900 59.881 1.019 19627 5132 1 13 . 1 1 28 28 VAL CB C 28 36.175 36.175 35.430 0.745 19627 5133 1 13 . 1 1 29 29 THR N N 29 124.304 124.304 116.584 7.720 19627 5134 1 13 . 1 1 29 29 THR HA H 29 5.212 5.212 5.287 -0.075 19627 5135 1 13 . 1 1 29 29 THR CA C 29 62.051 62.051 61.623 0.428 19627 5136 1 13 . 1 1 29 29 THR CB C 29 70.541 70.541 71.767 -1.226 19627 5137 1 13 . 1 1 30 30 CYS N N 30 123.969 123.969 124.812 -0.843 19627 5138 1 13 . 1 1 30 30 CYS HA H 30 5.581 5.581 4.846 0.735 19627 5139 1 13 . 1 1 30 30 CYS CA C 30 56.066 56.066 58.381 -2.315 19627 5140 1 13 . 1 1 30 30 CYS CB C 30 31.010 31.010 26.862 4.148 19627 5141 1 13 . 1 1 31 31 TYR N N 31 125.131 125.131 125.912 -0.781 19627 5142 1 13 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.843 0.322 19627 5143 1 13 . 1 1 31 31 TYR CA C 31 57.270 57.270 59.306 -2.035 19627 5144 1 13 . 1 1 31 31 TYR CB C 31 43.631 43.631 38.428 5.202 19627 5145 1 13 . 1 1 32 32 THR N N 32 118.682 118.682 122.854 -4.172 19627 5146 1 13 . 1 1 32 32 THR HA H 32 5.122 5.122 4.831 0.291 19627 5147 1 13 . 1 1 32 32 THR CA C 32 61.828 61.828 61.729 0.099 19627 5148 1 13 . 1 1 32 32 THR CB C 32 70.848 70.848 69.299 1.549 19627 5149 1 13 . 1 1 33 33 PHE N N 33 123.161 123.161 129.043 -5.882 19627 5150 1 13 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.376 0.468 19627 5151 1 13 . 1 1 33 33 PHE CA C 33 57.983 57.983 58.688 -0.705 19627 5152 1 13 . 1 1 33 33 PHE CB C 33 40.905 40.905 39.682 1.223 19627 5153 1 13 . 1 1 34 34 ASN N N 34 119.699 119.699 122.503 -2.804 19627 5154 1 13 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.763 0.592 19627 5155 1 13 . 1 1 34 34 ASN CA C 34 52.483 52.483 51.468 1.015 19627 5156 1 13 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.154 0.289 19627 5157 1 13 . 1 1 35 35 ALA N N 35 128.044 128.044 122.609 5.435 19627 5158 1 13 . 1 1 35 35 ALA HA H 35 4.167 4.167 3.745 0.422 19627 5159 1 13 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.118 0.696 19627 5160 1 13 . 1 1 35 35 ALA CB C 35 18.405 18.405 18.959 -0.553 19627 5161 1 13 . 1 1 36 36 ASP N N 36 116.944 116.944 115.595 1.349 19627 5162 1 13 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.834 -0.397 19627 5163 1 13 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.562 -1.167 19627 5164 1 13 . 1 1 36 36 ASP CB C 36 39.512 39.512 40.145 -0.633 19627 5165 1 13 . 1 1 37 37 LYS N N 37 108.202 108.202 117.764 -9.562 19627 5166 1 13 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.680 -1.416 19627 5167 1 13 . 1 1 37 37 LYS CA C 37 59.074 59.074 56.624 2.450 19627 5168 1 13 . 1 1 37 37 LYS CB C 37 27.597 27.597 34.317 -6.720 19627 5169 1 13 . 1 1 38 38 THR N N 38 107.877 107.877 114.298 -6.421 19627 5170 1 13 . 1 1 38 38 THR HA H 38 5.403 5.403 5.042 0.361 19627 5171 1 13 . 1 1 38 38 THR CA C 38 61.011 61.011 62.090 -1.079 19627 5172 1 13 . 1 1 38 38 THR CB C 38 72.829 72.829 70.509 2.320 19627 5173 1 13 . 1 1 39 39 TYR N N 39 117.837 117.837 117.474 0.363 19627 5174 1 13 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.505 0.209 19627 5175 1 13 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.673 0.069 19627 5176 1 13 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.440 2.139 19627 5177 1 13 . 1 1 40 40 GLU N N 40 118.677 118.677 119.361 -0.684 19627 5178 1 13 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.229 0.024 19627 5179 1 13 . 1 1 40 40 GLU CA C 40 54.059 54.059 55.039 -0.980 19627 5180 1 13 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.051 0.904 19627 5181 1 13 . 1 1 41 41 VAL N N 41 121.838 121.838 121.474 0.364 19627 5182 1 13 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.245 0.914 19627 5183 1 13 . 1 1 41 41 VAL CA C 41 59.540 59.540 60.416 -0.875 19627 5184 1 13 . 1 1 41 41 VAL CB C 41 35.324 35.324 36.656 -1.332 19627 5185 1 13 . 1 1 42 42 TYR N N 42 126.740 126.740 123.227 3.513 19627 5186 1 13 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.748 0.067 19627 5187 1 13 . 1 1 42 42 TYR CA C 42 56.841 56.841 58.702 -1.861 19627 5188 1 13 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.641 1.652 19627 5189 1 13 . 1 1 43 43 THR N N 43 122.111 122.111 123.258 -1.147 19627 5190 1 13 . 1 1 43 43 THR HA H 43 5.126 5.126 5.257 -0.131 19627 5191 1 13 . 1 1 43 43 THR CA C 43 60.915 60.915 60.236 0.679 19627 5192 1 13 . 1 1 43 43 THR CB C 43 70.667 70.667 71.606 -0.939 19627 5193 1 13 . 1 1 44 44 GLY N N 44 112.123 112.123 115.492 -3.369 19627 5194 1 13 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.566 -0.529 19627 5195 1 13 . 1 1 45 45 SER N N 45 118.181 118.181 113.690 4.491 19627 5196 1 13 . 1 1 45 45 SER HA H 45 4.736 4.736 4.327 0.409 19627 5197 1 13 . 1 1 45 45 SER CA C 45 55.721 55.721 58.066 -2.345 19627 5198 1 13 . 1 1 45 45 SER CB C 45 64.234 64.234 62.445 1.789 19627 5199 1 13 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.324 -0.046 19627 5200 1 13 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.373 0.530 19627 5201 1 13 . 1 1 46 46 PRO CB C 46 32.100 32.100 31.849 0.251 19627 5202 1 13 . 1 1 47 47 LEU N N 47 115.053 115.053 116.625 -1.572 19627 5203 1 13 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.194 0.082 19627 5204 1 13 . 1 1 47 47 LEU CA C 47 54.820 54.820 56.299 -1.479 19627 5205 1 13 . 1 1 47 47 LEU CB C 47 42.497 42.497 41.762 0.735 19627 5206 1 13 . 1 1 48 48 SER N N 48 114.930 114.930 109.319 5.611 19627 5207 1 13 . 1 1 48 48 SER HA H 48 4.418 4.418 4.522 -0.104 19627 5208 1 13 . 1 1 48 48 SER CA C 48 57.896 57.896 57.371 0.525 19627 5209 1 13 . 1 1 48 48 SER CB C 48 64.328 64.328 64.098 0.230 19627 5210 1 13 . 1 1 49 49 ASN N N 49 121.801 121.801 117.967 3.834 19627 5211 1 13 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.463 0.220 19627 5212 1 13 . 1 1 49 49 ASN CA C 49 53.247 53.247 52.371 0.876 19627 5213 1 13 . 1 1 49 49 ASN CB C 49 39.147 39.147 36.617 2.530 19627 5214 1 13 . 1 1 50 50 GLY N N 50 108.685 108.685 108.449 0.236 19627 5215 1 13 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.770 -0.722 19627 5216 1 13 . 1 1 51 51 VAL N N 51 121.162 121.162 121.351 -0.189 19627 5217 1 13 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.373 0.021 19627 5218 1 13 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.781 -0.122 19627 5219 1 13 . 1 1 51 51 VAL CB C 51 33.484 33.484 33.197 0.287 19627 5220 1 13 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.913 -0.252 19627 5221 1 13 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.347 0.546 19627 5222 1 13 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.724 0.172 19627 5223 1 13 . 1 1 53 53 PHE N N 53 123.537 123.537 119.520 4.017 19627 5224 1 13 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.775 -0.197 19627 5225 1 13 . 1 1 53 53 PHE CA C 53 57.762 57.762 56.771 0.991 19627 5226 1 13 . 1 1 53 53 PHE CB C 53 40.652 40.652 42.528 -1.876 19627 5227 1 13 . 1 1 54 54 ARG N N 54 124.570 124.570 120.333 4.237 19627 5228 1 13 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.918 -0.024 19627 5229 1 13 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.147 0.454 19627 5230 1 13 . 1 1 54 54 ARG CB C 54 33.401 33.401 33.882 -0.481 19627 5231 1 13 . 1 1 55 55 GLY N N 55 107.998 107.998 106.145 1.853 19627 5232 1 13 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.258 0.284 19627 5233 1 13 . 1 1 56 56 THR N N 56 114.021 114.021 117.924 -3.903 19627 5234 1 13 . 1 1 56 56 THR HA H 56 5.777 5.777 5.168 0.609 19627 5235 1 13 . 1 1 56 56 THR CA C 56 60.409 60.409 61.262 -0.853 19627 5236 1 13 . 1 1 56 56 THR CB C 56 72.641 72.641 71.075 1.566 19627 5237 1 13 . 1 1 57 57 TYR N N 57 115.684 115.684 126.408 -10.724 19627 5238 1 13 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.242 1.014 19627 5239 1 13 . 1 1 57 57 TYR CA C 57 55.645 55.645 57.012 -1.367 19627 5240 1 13 . 1 1 57 57 TYR CB C 57 43.352 43.352 39.591 3.761 19627 5241 1 13 . 1 1 58 58 ILE N N 58 118.048 118.048 117.809 0.239 19627 5242 1 13 . 1 1 58 58 ILE HA H 58 4.355 4.355 3.881 0.474 19627 5243 1 13 . 1 1 58 58 ILE CA C 58 60.009 60.009 59.684 0.325 19627 5244 1 13 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.045 0.880 19627 5245 1 13 . 1 1 59 59 ILE N N 59 124.887 124.887 119.143 5.744 19627 5246 1 13 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.614 0.390 19627 5247 1 13 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.677 -1.402 19627 5248 1 13 . 1 1 59 59 ILE CB C 59 40.709 40.709 40.650 0.059 19627 5249 1 13 . 1 1 60 60 SER N N 60 122.768 122.768 113.821 8.947 19627 5250 1 13 . 1 1 60 60 SER HA H 60 4.835 4.835 4.632 0.203 19627 5251 1 13 . 1 1 60 60 SER CA C 60 55.735 55.735 57.675 -1.940 19627 5252 1 13 . 1 1 60 60 SER CB C 60 63.250 63.250 65.175 -1.925 19627 5253 1 13 . 1 1 61 61 LEU N N 61 129.303 129.303 121.608 7.695 19627 5254 1 13 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.544 -0.698 19627 5255 1 13 . 1 1 61 61 LEU CA C 61 58.659 58.659 55.323 3.336 19627 5256 1 13 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.446 -0.484 19627 5257 1 13 . 1 1 62 62 ASP N N 62 118.454 118.454 119.971 -1.517 19627 5258 1 13 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.395 -0.092 19627 5259 1 13 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.386 0.727 19627 5260 1 13 . 1 1 62 62 ASP CB C 62 40.178 40.178 41.714 -1.536 19627 5261 1 13 . 1 1 63 63 GLU N N 63 115.083 115.083 115.778 -0.695 19627 5262 1 13 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.335 -0.104 19627 5263 1 13 . 1 1 63 63 GLU CA C 63 55.915 55.915 57.148 -1.233 19627 5264 1 13 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.828 1.570 19627 5265 1 13 . 1 1 64 64 LYS N N 64 117.578 117.578 119.428 -1.850 19627 5266 1 13 . 1 1 65 65 LEU N N 65 119.527 119.527 112.936 6.591 19627 5267 1 13 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.510 0.640 19627 5268 1 13 . 1 1 65 65 LEU CA C 65 53.355 53.355 52.807 0.548 19627 5269 1 13 . 1 1 65 65 LEU CB C 65 47.627 47.627 43.584 4.043 19627 5270 1 13 . 1 1 66 66 ILE N N 66 123.527 123.527 122.787 0.740 19627 5271 1 13 . 1 1 66 66 ILE HA H 66 5.003 5.003 4.371 0.632 19627 5272 1 13 . 1 1 66 66 ILE CA C 66 58.348 58.348 60.734 -2.386 19627 5273 1 13 . 1 1 66 66 ILE CB C 66 42.093 42.093 36.904 5.189 19627 5274 1 13 . 1 1 67 67 LYS N N 67 125.168 125.168 127.890 -2.722 19627 5275 1 13 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.657 -0.250 19627 5276 1 13 . 1 1 67 67 LYS CA C 67 55.282 55.282 55.012 0.270 19627 5277 1 13 . 1 1 67 67 LYS CB C 67 36.248 36.248 34.161 2.087 19627 5278 1 13 . 1 1 68 68 LEU N N 68 123.218 123.218 120.008 3.210 19627 5279 1 13 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.607 0.191 19627 5280 1 13 . 1 1 68 68 LEU CA C 68 54.830 54.830 54.132 0.698 19627 5281 1 13 . 1 1 68 68 LEU CB C 68 40.826 40.826 44.001 -3.175 19627 5282 1 13 . 1 1 69 69 TYR N N 69 119.751 119.751 124.151 -4.400 19627 5283 1 13 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.722 -0.298 19627 5284 1 13 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.279 -0.113 19627 5285 1 13 . 1 1 69 69 TYR CB C 69 42.319 42.319 40.982 1.337 19627 5286 1 13 . 1 1 70 70 ASP N N 70 120.335 120.335 124.474 -4.139 19627 5287 1 13 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.156 -0.114 19627 5288 1 13 . 1 1 70 70 ASP CA C 70 52.428 52.428 53.038 -0.611 19627 5289 1 13 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.437 -0.227 19627 5290 1 13 . 1 1 71 71 LYS N N 71 117.975 117.975 117.220 0.755 19627 5291 1 13 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.260 -0.055 19627 5292 1 13 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.092 0.097 19627 5293 1 13 . 1 1 71 71 LYS CB C 71 32.224 32.224 32.291 -0.067 19627 5294 1 13 . 1 1 72 72 GLU N N 72 119.779 119.779 119.206 0.573 19627 5295 1 13 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.629 -0.353 19627 5296 1 13 . 1 1 72 72 GLU CA C 72 55.823 55.823 55.496 0.327 19627 5297 1 13 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.633 0.006 19627 5298 1 13 . 1 1 73 73 GLU N N 73 112.572 112.572 115.884 -3.312 19627 5299 1 13 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.188 -0.582 19627 5300 1 13 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.584 0.507 19627 5301 1 13 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.576 -0.676 19627 5302 1 13 . 1 1 74 74 HIS N N 74 118.561 118.561 118.540 0.021 19627 5303 1 13 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.560 0.312 19627 5304 1 13 . 1 1 74 74 HIS CA C 74 54.491 54.491 56.567 -2.076 19627 5305 1 13 . 1 1 74 74 HIS CB C 74 28.650 28.650 29.791 -1.141 19627 5306 1 13 . 1 1 75 75 CYS N N 75 126.459 126.459 124.668 1.791 19627 5307 1 13 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.529 0.521 19627 5308 1 13 . 1 1 75 75 CYS CA C 75 58.539 58.539 58.147 0.392 19627 5309 1 13 . 1 1 75 75 CYS CB C 75 26.305 26.305 25.712 0.593 19627 5310 1 13 . 1 1 76 76 THR N N 76 123.868 123.868 117.151 6.717 19627 5311 1 13 . 1 1 76 76 THR HA H 76 4.115 4.115 4.173 -0.058 19627 5312 1 13 . 1 1 76 76 THR CA C 76 62.701 62.701 63.592 -0.891 19627 5313 1 13 . 1 1 76 76 THR CB C 76 68.451 68.451 69.403 -0.952 19627 5314 1 13 . 1 1 77 77 GLU N N 77 120.185 120.185 119.123 1.062 19627 5315 1 13 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.580 -0.405 19627 5316 1 13 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.235 -0.538 19627 5317 1 13 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.608 0.492 19627 5318 1 13 . 1 1 78 78 GLN N N 78 118.401 118.401 116.693 1.708 19627 5319 1 13 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.644 0.053 19627 5320 1 13 . 1 1 78 78 GLN CA C 78 53.933 53.933 53.964 -0.031 19627 5321 1 13 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.417 -0.575 19627 5322 1 13 . 1 1 79 79 TYR N N 79 116.069 116.069 117.457 -1.388 19627 5323 1 13 . 1 1 79 79 TYR HA H 79 4.850 4.850 5.020 -0.170 19627 5324 1 13 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.904 -0.905 19627 5325 1 13 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.913 -0.100 19627 5326 1 13 . 1 1 80 80 HIS N N 80 119.747 119.747 120.792 -1.045 19627 5327 1 13 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.543 0.630 19627 5328 1 13 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.942 -0.821 19627 5329 1 13 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.468 -1.748 19627 5330 1 13 . 1 1 81 81 ILE N N 81 126.268 126.268 126.135 0.133 19627 5331 1 13 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.318 0.902 19627 5332 1 13 . 1 1 81 81 ILE CA C 81 61.739 61.739 63.293 -1.554 19627 5333 1 13 . 1 1 81 81 ILE CB C 81 38.354 38.354 37.311 1.043 19627 5334 1 13 . 1 1 82 82 LEU N N 82 127.552 127.552 128.936 -1.384 19627 5335 1 13 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.530 -0.436 19627 5336 1 13 . 1 1 82 82 LEU CA C 82 55.392 55.392 55.568 -0.176 19627 5337 1 13 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.770 0.345 19627 5338 1 13 . 1 1 83 83 LYS N N 83 115.809 115.809 116.013 -0.204 19627 5339 1 13 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.653 -0.453 19627 5340 1 13 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.200 0.493 19627 5341 1 13 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.792 0.130 19627 5342 1 13 . 1 1 84 84 LEU N N 84 129.953 129.953 122.070 7.883 19627 5343 1 13 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.276 -0.442 19627 5344 1 13 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.857 -0.243 19627 5345 1 13 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.504 -1.737 19627 5346 1 13 . 1 1 85 85 THR N N 85 119.648 119.648 115.044 4.604 19627 5347 1 13 . 1 1 85 85 THR HA H 85 4.897 4.897 5.275 -0.378 19627 5348 1 13 . 1 1 85 85 THR CA C 85 58.717 58.717 60.088 -1.371 19627 5349 1 13 . 1 1 85 85 THR CB C 85 72.356 72.356 71.505 0.851 19627 5350 1 13 . 1 1 86 86 SER N N 86 108.790 108.790 116.668 -7.878 19627 5351 1 13 . 1 1 86 86 SER HA H 86 4.165 4.165 4.385 -0.220 19627 5352 1 13 . 1 1 86 86 SER CA C 86 60.370 60.370 61.564 -1.194 19627 5353 1 13 . 1 1 86 86 SER CB C 86 63.258 63.258 63.261 -0.004 19627 5354 1 13 . 1 1 87 87 LYS N N 87 116.161 116.161 114.910 1.251 19627 5355 1 13 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.443 0.071 19627 5356 1 13 . 1 1 87 87 LYS CA C 87 56.479 56.479 55.272 1.207 19627 5357 1 13 . 1 1 87 87 LYS CB C 87 36.364 36.364 33.098 3.266 19627 5358 1 13 . 1 1 88 88 GLU N N 88 119.485 119.485 121.163 -1.678 19627 5359 1 13 . 1 1 88 88 GLU HA H 88 5.463 5.463 5.100 0.363 19627 5360 1 13 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.753 -0.158 19627 5361 1 13 . 1 1 88 88 GLU CB C 88 35.601 35.601 34.220 1.381 19627 5362 1 13 . 1 1 89 89 MET N N 89 122.595 122.595 126.199 -3.604 19627 5363 1 13 . 1 1 89 89 MET HA H 89 4.940 4.940 4.947 -0.007 19627 5364 1 13 . 1 1 89 89 MET CA C 89 53.785 53.785 54.954 -1.169 19627 5365 1 13 . 1 1 89 89 MET CB C 89 36.210 36.210 36.355 -0.145 19627 5366 1 13 . 1 1 90 90 LYS N N 90 124.449 124.449 128.104 -3.655 19627 5367 1 13 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.637 0.158 19627 5368 1 13 . 1 1 90 90 LYS CA C 90 55.353 55.353 56.162 -0.809 19627 5369 1 13 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.109 3.654 19627 5370 1 13 . 1 1 91 91 TRP N N 91 125.457 125.457 127.936 -2.479 19627 5371 1 13 . 1 1 91 91 TRP HA H 91 5.514 5.514 5.173 0.341 19627 5372 1 13 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.609 -3.099 19627 5373 1 13 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.134 4.618 19627 5374 1 13 . 1 1 92 92 GLU N N 92 123.111 123.111 126.067 -2.956 19627 5375 1 13 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.238 0.637 19627 5376 1 13 . 1 1 92 92 GLU C C 92 176.109 176.109 177.320 -1.211 19627 5377 1 13 . 1 1 92 92 GLU CA C 92 53.610 53.610 56.492 -2.882 19627 5378 1 13 . 1 1 92 92 GLU CB C 92 33.384 33.384 31.625 1.760 19627 5379 1 13 . 1 1 93 93 ASN N N 93 126.757 126.757 122.311 4.446 19627 5380 1 13 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.452 -0.049 19627 5381 1 13 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.420 -1.428 19627 5382 1 13 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.841 -1.238 19627 5383 1 13 . 1 1 94 94 ALA N N 94 130.509 130.509 120.671 9.838 19627 5384 1 13 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.016 0.189 19627 5385 1 13 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.191 -2.129 19627 5386 1 13 . 1 1 94 94 ALA CB C 94 19.010 19.010 16.970 2.040 19627 5387 1 13 . 1 1 95 95 SER N N 95 114.601 114.601 114.594 0.007 19627 5388 1 13 . 1 1 95 95 SER HA H 95 4.545 4.545 4.795 -0.250 19627 5389 1 13 . 1 1 95 95 SER CA C 95 54.544 54.544 55.048 -0.504 19627 5390 1 13 . 1 1 95 95 SER CB C 95 63.081 63.081 63.876 -0.795 19627 5391 1 13 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.385 -0.081 19627 5392 1 13 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.335 0.254 19627 5393 1 13 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.965 0.293 19627 5394 1 13 . 1 1 97 97 LYS N N 97 118.117 118.117 118.095 0.022 19627 5395 1 13 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.043 0.105 19627 5396 1 13 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.917 -1.470 19627 5397 1 13 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.118 0.873 19627 5398 1 13 . 1 1 98 98 ASP N N 98 119.820 119.820 118.448 1.372 19627 5399 1 13 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.556 -0.231 19627 5400 1 13 . 1 1 98 98 ASP CA C 98 54.598 54.598 55.032 -0.434 19627 5401 1 13 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.653 -0.871 19627 5402 1 13 . 1 1 99 99 GLY N N 99 107.593 107.593 106.101 1.492 19627 5403 1 13 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.686 0.950 19627 5404 1 13 . 1 1 100 100 ASN N N 100 119.859 119.859 119.147 0.712 19627 5405 1 13 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.730 -0.010 19627 5406 1 13 . 1 1 100 100 ASN C C 100 175.832 175.832 175.526 0.306 19627 5407 1 13 . 1 1 100 100 ASN CA C 100 53.853 53.853 54.185 -0.332 19627 5408 1 13 . 1 1 100 100 ASN CB C 100 38.772 38.772 38.956 -0.184 19627 5409 1 13 . 1 1 101 101 SER N N 101 117.380 117.380 115.511 1.869 19627 5410 1 13 . 1 1 101 101 SER HA H 101 4.533 4.533 4.751 -0.218 19627 5411 1 13 . 1 1 101 101 SER C C 101 175.075 175.075 174.039 1.036 19627 5412 1 13 . 1 1 101 101 SER CA C 101 57.658 57.658 57.957 -0.299 19627 5413 1 13 . 1 1 101 101 SER CB C 101 64.927 64.927 65.351 -0.424 19627 5414 1 13 . 1 1 102 102 ASP N N 102 123.193 123.193 123.853 -0.660 19627 5415 1 13 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.059 -0.453 19627 5416 1 13 . 1 1 102 102 ASP C C 102 177.297 177.297 176.529 0.768 19627 5417 1 13 . 1 1 102 102 ASP CA C 102 55.558 55.558 53.433 2.125 19627 5418 1 13 . 1 1 102 102 ASP CB C 102 40.668 40.668 40.014 0.654 19627 5419 1 13 . 1 1 103 103 LYS N N 103 117.188 117.188 117.982 -0.794 19627 5420 1 13 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.465 0.932 19627 5421 1 13 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.161 0.400 19627 5422 1 13 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.925 6.026 19627 5423 1 13 . 1 1 104 104 ARG N N 104 122.088 122.088 121.385 0.703 19627 5424 1 13 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.983 -0.175 19627 5425 1 13 . 1 1 104 104 ARG C C 104 174.517 174.517 175.388 -0.871 19627 5426 1 13 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.913 0.771 19627 5427 1 13 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.581 2.368 19627 5428 1 13 . 1 1 105 105 LEU N N 105 126.226 126.226 127.202 -0.976 19627 5429 1 13 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.444 1.045 19627 5430 1 13 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.151 -0.010 19627 5431 1 13 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.310 3.542 19627 5432 1 13 . 1 1 106 106 GLU N N 106 120.408 120.408 119.006 1.402 19627 5433 1 13 . 1 1 106 106 GLU HA H 106 5.345 5.345 5.047 0.298 19627 5434 1 13 . 1 1 106 106 GLU CA C 106 54.248 54.248 54.772 -0.524 19627 5435 1 13 . 1 1 106 106 GLU CB C 106 34.552 34.552 30.922 3.630 19627 5436 1 13 . 1 1 107 107 LYS N N 107 127.864 127.864 118.352 9.512 19627 5437 1 13 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.206 0.268 19627 5438 1 13 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.356 -0.452 19627 5439 1 13 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.108 0.265 19627 5440 1 13 . 1 1 108 108 TYR N N 108 127.870 127.870 124.884 2.986 19627 5441 1 13 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.406 0.035 19627 5442 1 13 . 1 1 108 108 TYR CA C 108 57.519 57.519 56.897 0.622 19627 5443 1 13 . 1 1 108 108 TYR CB C 108 40.123 40.123 37.671 2.452 19627 5444 1 13 . 1 1 109 109 ASN N N 109 123.534 123.534 124.817 -1.283 19627 5445 1 13 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.029 0.547 19627 5446 1 13 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.536 -0.516 19627 5447 1 13 . 1 1 109 109 ASN CB C 109 40.596 40.596 38.037 2.559 19627 5448 1 14 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.247 0.273 19627 5449 1 14 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.688 0.518 19627 5450 1 14 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.017 0.208 19627 5451 1 14 . 1 1 3 3 GLU N N 3 119.869 119.869 120.226 -0.357 19627 5452 1 14 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.351 -0.152 19627 5453 1 14 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.688 0.341 19627 5454 1 14 . 1 1 3 3 GLU CB C 3 29.820 29.820 28.474 1.346 19627 5455 1 14 . 1 1 4 4 ASP N N 4 119.650 119.650 119.487 0.163 19627 5456 1 14 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.760 -0.320 19627 5457 1 14 . 1 1 4 4 ASP CA C 4 55.118 55.118 53.826 1.292 19627 5458 1 14 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.316 -0.071 19627 5459 1 14 . 1 1 5 5 ASP N N 5 119.339 119.339 119.318 0.021 19627 5460 1 14 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.734 -0.104 19627 5461 1 14 . 1 1 5 5 ASP CA C 5 53.761 53.761 54.311 -0.550 19627 5462 1 14 . 1 1 5 5 ASP CB C 5 40.866 40.866 42.005 -1.139 19627 5463 1 14 . 1 1 6 6 LYS N N 6 121.265 121.265 119.765 1.500 19627 5464 1 14 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.666 -0.449 19627 5465 1 14 . 1 1 6 6 LYS CA C 6 56.109 56.109 54.829 1.280 19627 5466 1 14 . 1 1 6 6 LYS CB C 6 33.916 33.916 35.328 -1.412 19627 5467 1 14 . 1 1 7 7 VAL N N 7 122.743 122.743 123.558 -0.815 19627 5468 1 14 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.138 -0.087 19627 5469 1 14 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.318 0.187 19627 5470 1 14 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.585 1.153 19627 5471 1 14 . 1 1 8 8 GLU N N 8 129.254 129.254 126.303 2.951 19627 5472 1 14 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.570 0.034 19627 5473 1 14 . 1 1 8 8 GLU CA C 8 54.083 54.083 54.818 -0.735 19627 5474 1 14 . 1 1 8 8 GLU CB C 8 30.047 30.047 31.413 -1.365 19627 5475 1 14 . 1 1 9 9 ILE N N 9 123.662 123.662 125.431 -1.769 19627 5476 1 14 . 1 1 9 9 ILE HA H 9 3.819 3.819 3.927 -0.108 19627 5477 1 14 . 1 1 9 9 ILE CA C 9 63.426 63.426 65.238 -1.812 19627 5478 1 14 . 1 1 9 9 ILE CB C 9 34.840 34.840 36.059 -1.219 19627 5479 1 14 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.512 -0.174 19627 5480 1 14 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.052 1.734 19627 5481 1 14 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.109 0.750 19627 5482 1 14 . 1 1 11 11 GLN N N 11 112.602 112.602 118.697 -6.095 19627 5483 1 14 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.282 -0.060 19627 5484 1 14 . 1 1 11 11 GLN C C 11 176.461 176.461 177.879 -1.418 19627 5485 1 14 . 1 1 11 11 GLN CA C 11 55.805 55.805 57.026 -1.221 19627 5486 1 14 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.752 -0.891 19627 5487 1 14 . 1 1 12 12 LEU N N 12 119.555 119.555 122.898 -3.343 19627 5488 1 14 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.187 -0.279 19627 5489 1 14 . 1 1 12 12 LEU CA C 12 58.115 58.115 58.014 0.101 19627 5490 1 14 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.655 1.648 19627 5491 1 14 . 1 1 13 13 VAL N N 13 112.720 112.720 117.257 -4.537 19627 5492 1 14 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.990 -0.238 19627 5493 1 14 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.143 0.574 19627 5494 1 14 . 1 1 13 13 VAL CB C 13 32.029 32.029 31.358 0.671 19627 5495 1 14 . 1 1 14 14 GLY N N 14 116.042 116.042 107.637 8.405 19627 5496 1 14 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.674 -0.923 19627 5497 1 14 . 1 1 15 15 LYS N N 15 120.788 120.788 117.558 3.230 19627 5498 1 14 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.490 0.695 19627 5499 1 14 . 1 1 15 15 LYS CA C 15 55.797 55.797 55.410 0.387 19627 5500 1 14 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.059 1.100 19627 5501 1 14 . 1 1 16 16 TRP N N 16 123.983 123.983 121.361 2.622 19627 5502 1 14 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.806 0.109 19627 5503 1 14 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.301 -0.501 19627 5504 1 14 . 1 1 16 16 TRP CB C 16 34.179 34.179 32.449 1.730 19627 5505 1 14 . 1 1 17 17 ILE N N 17 122.229 122.229 122.812 -0.583 19627 5506 1 14 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.679 0.213 19627 5507 1 14 . 1 1 17 17 ILE CA C 17 58.782 58.782 60.038 -1.256 19627 5508 1 14 . 1 1 17 17 ILE CB C 17 40.584 40.584 41.343 -0.759 19627 5509 1 14 . 1 1 18 18 VAL N N 18 126.326 126.326 125.014 1.312 19627 5510 1 14 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.221 -0.380 19627 5511 1 14 . 1 1 18 18 VAL CA C 18 64.643 64.643 61.409 3.234 19627 5512 1 14 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.491 0.077 19627 5513 1 14 . 1 1 19 19 LYS N N 19 129.061 129.061 119.200 9.861 19627 5514 1 14 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.224 0.232 19627 5515 1 14 . 1 1 19 19 LYS CA C 19 54.524 54.524 57.018 -2.494 19627 5516 1 14 . 1 1 19 19 LYS CB C 19 33.173 33.173 31.958 1.215 19627 5517 1 14 . 1 1 20 20 GLU N N 20 118.305 118.305 118.205 0.100 19627 5518 1 14 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.754 -0.364 19627 5519 1 14 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.014 1.103 19627 5520 1 14 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.335 2.178 19627 5521 1 14 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.326 0.281 19627 5522 1 14 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.809 -0.179 19627 5523 1 14 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.433 2.357 19627 5524 1 14 . 1 1 22 22 VAL N N 22 119.998 119.998 119.000 0.998 19627 5525 1 14 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.953 0.064 19627 5526 1 14 . 1 1 22 22 VAL CA C 22 62.374 62.374 63.006 -0.632 19627 5527 1 14 . 1 1 22 22 VAL CB C 22 32.937 32.937 31.980 0.957 19627 5528 1 14 . 1 1 23 23 LEU N N 23 128.343 128.343 127.862 0.481 19627 5529 1 14 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.498 -0.051 19627 5530 1 14 . 1 1 23 23 LEU CA C 23 54.190 54.190 55.017 -0.827 19627 5531 1 14 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.681 0.147 19627 5532 1 14 . 1 1 24 24 GLN N N 24 117.971 117.971 117.926 0.045 19627 5533 1 14 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.692 -0.432 19627 5534 1 14 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.140 0.458 19627 5535 1 14 . 1 1 24 24 GLN CB C 24 30.104 30.104 30.718 -0.615 19627 5536 1 14 . 1 1 25 25 ASP N N 25 117.501 117.501 118.624 -1.123 19627 5537 1 14 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.431 -0.225 19627 5538 1 14 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.711 0.058 19627 5539 1 14 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.544 -0.582 19627 5540 1 14 . 1 1 26 26 ASP N N 26 112.782 112.782 115.866 -3.084 19627 5541 1 14 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.142 0.193 19627 5542 1 14 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.258 -0.099 19627 5543 1 14 . 1 1 26 26 ASP CB C 26 39.737 39.737 38.944 0.793 19627 5544 1 14 . 1 1 27 27 PHE N N 27 118.623 118.623 118.249 0.374 19627 5545 1 14 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.815 -0.388 19627 5546 1 14 . 1 1 27 27 PHE CA C 27 58.011 58.011 57.192 0.819 19627 5547 1 14 . 1 1 27 27 PHE CB C 27 40.533 40.533 42.881 -2.348 19627 5548 1 14 . 1 1 28 28 VAL N N 28 119.117 119.117 118.543 0.574 19627 5549 1 14 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.362 0.138 19627 5550 1 14 . 1 1 28 28 VAL CA C 28 60.900 60.900 61.428 -0.528 19627 5551 1 14 . 1 1 28 28 VAL CB C 28 36.175 36.175 35.601 0.574 19627 5552 1 14 . 1 1 29 29 THR N N 29 124.304 124.304 117.279 7.025 19627 5553 1 14 . 1 1 29 29 THR HA H 29 5.212 5.212 5.095 0.117 19627 5554 1 14 . 1 1 29 29 THR CA C 29 62.051 62.051 60.849 1.202 19627 5555 1 14 . 1 1 29 29 THR CB C 29 70.541 70.541 71.493 -0.952 19627 5556 1 14 . 1 1 30 30 CYS N N 30 123.969 123.969 118.801 5.168 19627 5557 1 14 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.500 0.081 19627 5558 1 14 . 1 1 30 30 CYS CA C 30 56.066 56.066 55.450 0.616 19627 5559 1 14 . 1 1 30 30 CYS CB C 30 31.010 31.010 31.229 -0.219 19627 5560 1 14 . 1 1 31 31 TYR N N 31 125.131 125.131 120.827 4.304 19627 5561 1 14 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.961 0.204 19627 5562 1 14 . 1 1 31 31 TYR CA C 31 57.270 57.270 56.953 0.318 19627 5563 1 14 . 1 1 31 31 TYR CB C 31 43.631 43.631 40.563 3.068 19627 5564 1 14 . 1 1 32 32 THR N N 32 118.682 118.682 121.373 -2.691 19627 5565 1 14 . 1 1 32 32 THR HA H 32 5.122 5.122 4.941 0.181 19627 5566 1 14 . 1 1 32 32 THR CA C 32 61.828 61.828 61.721 0.107 19627 5567 1 14 . 1 1 32 32 THR CB C 32 70.848 70.848 69.028 1.820 19627 5568 1 14 . 1 1 33 33 PHE N N 33 123.161 123.161 126.468 -3.307 19627 5569 1 14 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.519 0.325 19627 5570 1 14 . 1 1 33 33 PHE CA C 33 57.983 57.983 58.551 -0.568 19627 5571 1 14 . 1 1 33 33 PHE CB C 33 40.905 40.905 39.759 1.146 19627 5572 1 14 . 1 1 34 34 ASN N N 34 119.699 119.699 116.962 2.737 19627 5573 1 14 . 1 1 34 34 ASN HA H 34 5.355 5.355 5.134 0.221 19627 5574 1 14 . 1 1 34 34 ASN CA C 34 52.483 52.483 51.494 0.989 19627 5575 1 14 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.528 -0.085 19627 5576 1 14 . 1 1 35 35 ALA N N 35 128.044 128.044 123.038 5.006 19627 5577 1 14 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.090 0.077 19627 5578 1 14 . 1 1 35 35 ALA CA C 35 54.814 54.814 55.491 -0.677 19627 5579 1 14 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.128 -0.723 19627 5580 1 14 . 1 1 36 36 ASP N N 36 116.944 116.944 112.644 4.300 19627 5581 1 14 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.802 -0.365 19627 5582 1 14 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.501 -1.106 19627 5583 1 14 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.223 -1.711 19627 5584 1 14 . 1 1 37 37 LYS N N 37 108.202 108.202 120.194 -11.992 19627 5585 1 14 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.224 -0.960 19627 5586 1 14 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.387 1.687 19627 5587 1 14 . 1 1 37 37 LYS CB C 37 27.597 27.597 32.849 -5.252 19627 5588 1 14 . 1 1 38 38 THR N N 38 107.877 107.877 105.490 2.387 19627 5589 1 14 . 1 1 38 38 THR HA H 38 5.403 5.403 4.883 0.520 19627 5590 1 14 . 1 1 38 38 THR CA C 38 61.011 61.011 60.139 0.873 19627 5591 1 14 . 1 1 38 38 THR CB C 38 72.829 72.829 70.937 1.892 19627 5592 1 14 . 1 1 39 39 TYR N N 39 117.837 117.837 117.981 -0.144 19627 5593 1 14 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.396 0.318 19627 5594 1 14 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.686 0.056 19627 5595 1 14 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.932 1.647 19627 5596 1 14 . 1 1 40 40 GLU N N 40 118.677 118.677 119.128 -0.451 19627 5597 1 14 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.295 -0.042 19627 5598 1 14 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.633 -0.574 19627 5599 1 14 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.220 0.735 19627 5600 1 14 . 1 1 41 41 VAL N N 41 121.838 121.838 122.061 -0.223 19627 5601 1 14 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.969 0.190 19627 5602 1 14 . 1 1 41 41 VAL CA C 41 59.540 59.540 60.043 -0.503 19627 5603 1 14 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.507 -0.183 19627 5604 1 14 . 1 1 42 42 TYR N N 42 126.740 126.740 121.738 5.002 19627 5605 1 14 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.983 -0.168 19627 5606 1 14 . 1 1 42 42 TYR CA C 42 56.841 56.841 57.115 -0.274 19627 5607 1 14 . 1 1 42 42 TYR CB C 42 42.293 42.293 39.937 2.356 19627 5608 1 14 . 1 1 43 43 THR N N 43 122.111 122.111 117.419 4.692 19627 5609 1 14 . 1 1 43 43 THR HA H 43 5.126 5.126 5.065 0.061 19627 5610 1 14 . 1 1 43 43 THR CA C 43 60.915 60.915 60.086 0.830 19627 5611 1 14 . 1 1 43 43 THR CB C 43 70.667 70.667 71.239 -0.572 19627 5612 1 14 . 1 1 44 44 GLY N N 44 112.123 112.123 113.113 -0.990 19627 5613 1 14 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.743 -0.706 19627 5614 1 14 . 1 1 45 45 SER N N 45 118.181 118.181 117.230 0.951 19627 5615 1 14 . 1 1 45 45 SER HA H 45 4.736 4.736 4.407 0.329 19627 5616 1 14 . 1 1 45 45 SER CA C 45 55.721 55.721 57.712 -1.991 19627 5617 1 14 . 1 1 45 45 SER CB C 45 64.234 64.234 63.459 0.775 19627 5618 1 14 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.423 -0.145 19627 5619 1 14 . 1 1 46 46 PRO CA C 46 64.903 64.903 63.852 1.051 19627 5620 1 14 . 1 1 46 46 PRO CB C 46 32.100 32.100 31.762 0.338 19627 5621 1 14 . 1 1 47 47 LEU N N 47 115.053 115.053 119.060 -4.007 19627 5622 1 14 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.508 -0.232 19627 5623 1 14 . 1 1 47 47 LEU CA C 47 54.820 54.820 54.033 0.787 19627 5624 1 14 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.541 -0.044 19627 5625 1 14 . 1 1 48 48 SER N N 48 114.930 114.930 114.773 0.157 19627 5626 1 14 . 1 1 48 48 SER HA H 48 4.418 4.418 4.263 0.155 19627 5627 1 14 . 1 1 48 48 SER CA C 48 57.896 57.896 59.230 -1.334 19627 5628 1 14 . 1 1 48 48 SER CB C 48 64.328 64.328 62.674 1.654 19627 5629 1 14 . 1 1 49 49 ASN N N 49 121.801 121.801 118.406 3.395 19627 5630 1 14 . 1 1 49 49 ASN HA H 49 4.683 4.683 3.244 1.439 19627 5631 1 14 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.846 -0.599 19627 5632 1 14 . 1 1 49 49 ASN CB C 49 39.147 39.147 38.227 0.919 19627 5633 1 14 . 1 1 50 50 GLY N N 50 108.685 108.685 106.544 2.141 19627 5634 1 14 . 1 1 50 50 GLY CA C 50 45.049 45.049 46.559 -1.510 19627 5635 1 14 . 1 1 51 51 VAL N N 51 121.162 121.162 119.881 1.281 19627 5636 1 14 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.365 0.029 19627 5637 1 14 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.141 0.517 19627 5638 1 14 . 1 1 51 51 VAL CB C 51 33.484 33.484 33.259 0.225 19627 5639 1 14 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.700 -0.039 19627 5640 1 14 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.138 0.755 19627 5641 1 14 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.613 0.283 19627 5642 1 14 . 1 1 53 53 PHE N N 53 123.537 123.537 122.247 1.290 19627 5643 1 14 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.620 -0.042 19627 5644 1 14 . 1 1 53 53 PHE CA C 53 57.762 57.762 56.096 1.666 19627 5645 1 14 . 1 1 53 53 PHE CB C 53 40.652 40.652 41.448 -0.796 19627 5646 1 14 . 1 1 54 54 ARG N N 54 124.570 124.570 124.484 0.086 19627 5647 1 14 . 1 1 54 54 ARG HA H 54 4.894 4.894 5.083 -0.189 19627 5648 1 14 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.132 0.469 19627 5649 1 14 . 1 1 54 54 ARG CB C 54 33.401 33.401 34.087 -0.686 19627 5650 1 14 . 1 1 55 55 GLY N N 55 107.998 107.998 109.254 -1.256 19627 5651 1 14 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.193 0.349 19627 5652 1 14 . 1 1 56 56 THR N N 56 114.021 114.021 116.130 -2.109 19627 5653 1 14 . 1 1 56 56 THR HA H 56 5.777 5.777 4.992 0.785 19627 5654 1 14 . 1 1 56 56 THR CA C 56 60.409 60.409 60.823 -0.414 19627 5655 1 14 . 1 1 56 56 THR CB C 56 72.641 72.641 70.193 2.448 19627 5656 1 14 . 1 1 57 57 TYR N N 57 115.684 115.684 125.759 -10.075 19627 5657 1 14 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.177 1.079 19627 5658 1 14 . 1 1 57 57 TYR CA C 57 55.645 55.645 57.197 -1.552 19627 5659 1 14 . 1 1 57 57 TYR CB C 57 43.352 43.352 39.795 3.557 19627 5660 1 14 . 1 1 58 58 ILE N N 58 118.048 118.048 119.320 -1.272 19627 5661 1 14 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.240 0.115 19627 5662 1 14 . 1 1 58 58 ILE CA C 58 60.009 60.009 59.660 0.349 19627 5663 1 14 . 1 1 58 58 ILE CB C 58 42.925 42.925 41.817 1.108 19627 5664 1 14 . 1 1 59 59 ILE N N 59 124.887 124.887 122.818 2.069 19627 5665 1 14 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.553 0.451 19627 5666 1 14 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.578 -1.303 19627 5667 1 14 . 1 1 59 59 ILE CB C 59 40.709 40.709 39.339 1.370 19627 5668 1 14 . 1 1 60 60 SER N N 60 122.768 122.768 115.667 7.101 19627 5669 1 14 . 1 1 60 60 SER HA H 60 4.835 4.835 4.721 0.114 19627 5670 1 14 . 1 1 60 60 SER CA C 60 55.735 55.735 57.129 -1.394 19627 5671 1 14 . 1 1 60 60 SER CB C 60 63.250 63.250 64.917 -1.667 19627 5672 1 14 . 1 1 61 61 LEU N N 61 129.303 129.303 124.548 4.755 19627 5673 1 14 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.230 -0.384 19627 5674 1 14 . 1 1 61 61 LEU CA C 61 58.659 58.659 56.241 2.418 19627 5675 1 14 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.511 -0.549 19627 5676 1 14 . 1 1 62 62 ASP N N 62 118.454 118.454 118.377 0.077 19627 5677 1 14 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.340 -0.037 19627 5678 1 14 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.487 0.627 19627 5679 1 14 . 1 1 62 62 ASP CB C 62 40.178 40.178 41.450 -1.272 19627 5680 1 14 . 1 1 63 63 GLU N N 63 115.083 115.083 114.276 0.807 19627 5681 1 14 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.312 -0.081 19627 5682 1 14 . 1 1 63 63 GLU CA C 63 55.915 55.915 57.286 -1.371 19627 5683 1 14 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.982 1.416 19627 5684 1 14 . 1 1 64 64 LYS N N 64 117.578 117.578 119.151 -1.573 19627 5685 1 14 . 1 1 65 65 LEU N N 65 119.527 119.527 112.728 6.799 19627 5686 1 14 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.570 0.580 19627 5687 1 14 . 1 1 65 65 LEU CA C 65 53.355 53.355 52.672 0.683 19627 5688 1 14 . 1 1 65 65 LEU CB C 65 47.627 47.627 44.039 3.588 19627 5689 1 14 . 1 1 66 66 ILE N N 66 123.527 123.527 121.054 2.473 19627 5690 1 14 . 1 1 66 66 ILE HA H 66 5.003 5.003 4.390 0.613 19627 5691 1 14 . 1 1 66 66 ILE CA C 66 58.348 58.348 61.489 -3.141 19627 5692 1 14 . 1 1 66 66 ILE CB C 66 42.093 42.093 38.546 3.547 19627 5693 1 14 . 1 1 67 67 LYS N N 67 125.168 125.168 128.586 -3.418 19627 5694 1 14 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.810 -0.403 19627 5695 1 14 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.064 1.218 19627 5696 1 14 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.460 -0.212 19627 5697 1 14 . 1 1 68 68 LEU N N 68 123.218 123.218 122.315 0.903 19627 5698 1 14 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.383 0.415 19627 5699 1 14 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.203 1.627 19627 5700 1 14 . 1 1 68 68 LEU CB C 68 40.826 40.826 41.608 -0.782 19627 5701 1 14 . 1 1 69 69 TYR N N 69 119.751 119.751 124.734 -4.983 19627 5702 1 14 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.289 0.135 19627 5703 1 14 . 1 1 69 69 TYR CA C 69 57.166 57.166 56.771 0.395 19627 5704 1 14 . 1 1 69 69 TYR CB C 69 42.319 42.319 39.875 2.444 19627 5705 1 14 . 1 1 70 70 ASP N N 70 120.335 120.335 123.610 -3.275 19627 5706 1 14 . 1 1 70 70 ASP HA H 70 5.042 5.042 4.992 0.050 19627 5707 1 14 . 1 1 70 70 ASP CA C 70 52.428 52.428 52.639 -0.211 19627 5708 1 14 . 1 1 70 70 ASP CB C 70 42.210 42.210 43.407 -1.197 19627 5709 1 14 . 1 1 71 71 LYS N N 71 117.975 117.975 119.601 -1.626 19627 5710 1 14 . 1 1 71 71 LYS HA H 71 4.205 4.205 3.949 0.256 19627 5711 1 14 . 1 1 71 71 LYS CA C 71 58.189 58.189 59.087 -0.898 19627 5712 1 14 . 1 1 71 71 LYS CB C 71 32.224 32.224 32.074 0.150 19627 5713 1 14 . 1 1 72 72 GLU N N 72 119.779 119.779 120.479 -0.700 19627 5714 1 14 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.601 -0.325 19627 5715 1 14 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.134 -0.311 19627 5716 1 14 . 1 1 72 72 GLU CB C 72 29.639 29.639 30.335 -0.696 19627 5717 1 14 . 1 1 73 73 GLU N N 73 112.572 112.572 117.761 -5.189 19627 5718 1 14 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.001 -0.395 19627 5719 1 14 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.697 0.394 19627 5720 1 14 . 1 1 73 73 GLU CB C 73 26.900 26.900 28.076 -1.176 19627 5721 1 14 . 1 1 74 74 HIS N N 74 118.561 118.561 119.209 -0.648 19627 5722 1 14 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.832 0.040 19627 5723 1 14 . 1 1 74 74 HIS CA C 74 54.491 54.491 55.335 -0.844 19627 5724 1 14 . 1 1 74 74 HIS CB C 74 28.650 28.650 29.755 -1.105 19627 5725 1 14 . 1 1 75 75 CYS N N 75 126.459 126.459 125.548 0.911 19627 5726 1 14 . 1 1 75 75 CYS HA H 75 4.050 4.050 4.565 -0.515 19627 5727 1 14 . 1 1 75 75 CYS CA C 75 58.539 58.539 56.508 2.031 19627 5728 1 14 . 1 1 75 75 CYS CB C 75 26.305 26.305 26.101 0.204 19627 5729 1 14 . 1 1 76 76 THR N N 76 123.868 123.868 117.237 6.631 19627 5730 1 14 . 1 1 76 76 THR HA H 76 4.115 4.115 4.312 -0.197 19627 5731 1 14 . 1 1 76 76 THR CA C 76 62.701 62.701 63.718 -1.017 19627 5732 1 14 . 1 1 76 76 THR CB C 76 68.451 68.451 69.817 -1.366 19627 5733 1 14 . 1 1 77 77 GLU N N 77 120.185 120.185 118.559 1.626 19627 5734 1 14 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.708 -0.533 19627 5735 1 14 . 1 1 77 77 GLU CA C 77 54.697 54.697 54.600 0.097 19627 5736 1 14 . 1 1 77 77 GLU CB C 77 34.100 34.100 34.268 -0.168 19627 5737 1 14 . 1 1 78 78 GLN N N 78 118.401 118.401 117.042 1.359 19627 5738 1 14 . 1 1 78 78 GLN HA H 78 4.697 4.697 5.059 -0.362 19627 5739 1 14 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.232 -0.299 19627 5740 1 14 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.445 -0.603 19627 5741 1 14 . 1 1 79 79 TYR N N 79 116.069 116.069 118.277 -2.208 19627 5742 1 14 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.894 -0.044 19627 5743 1 14 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.509 -0.510 19627 5744 1 14 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.529 0.284 19627 5745 1 14 . 1 1 80 80 HIS N N 80 119.747 119.747 121.474 -1.727 19627 5746 1 14 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.597 0.576 19627 5747 1 14 . 1 1 80 80 HIS CA C 80 55.121 55.121 57.037 -1.916 19627 5748 1 14 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.156 -1.436 19627 5749 1 14 . 1 1 81 81 ILE N N 81 126.268 126.268 125.817 0.451 19627 5750 1 14 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.768 0.452 19627 5751 1 14 . 1 1 81 81 ILE CA C 81 61.739 61.739 62.511 -0.772 19627 5752 1 14 . 1 1 81 81 ILE CB C 81 38.354 38.354 38.065 0.289 19627 5753 1 14 . 1 1 82 82 LEU N N 82 127.552 127.552 126.405 1.147 19627 5754 1 14 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.586 -0.492 19627 5755 1 14 . 1 1 82 82 LEU CA C 82 55.392 55.392 55.209 0.183 19627 5756 1 14 . 1 1 82 82 LEU CB C 82 43.115 43.115 43.149 -0.034 19627 5757 1 14 . 1 1 83 83 LYS N N 83 115.809 115.809 118.318 -2.509 19627 5758 1 14 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.571 -0.371 19627 5759 1 14 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.457 0.236 19627 5760 1 14 . 1 1 83 83 LYS CB C 83 36.922 36.922 37.020 -0.097 19627 5761 1 14 . 1 1 84 84 LEU N N 84 129.953 129.953 122.850 7.103 19627 5762 1 14 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.093 -0.259 19627 5763 1 14 . 1 1 84 84 LEU CA C 84 53.614 53.614 54.256 -0.642 19627 5764 1 14 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.562 -1.796 19627 5765 1 14 . 1 1 85 85 THR N N 85 119.648 119.648 114.893 4.755 19627 5766 1 14 . 1 1 85 85 THR HA H 85 4.897 4.897 5.368 -0.471 19627 5767 1 14 . 1 1 85 85 THR CA C 85 58.717 58.717 60.279 -1.562 19627 5768 1 14 . 1 1 85 85 THR CB C 85 72.356 72.356 71.349 1.008 19627 5769 1 14 . 1 1 86 86 SER N N 86 108.790 108.790 115.802 -7.012 19627 5770 1 14 . 1 1 86 86 SER HA H 86 4.165 4.165 4.401 -0.236 19627 5771 1 14 . 1 1 86 86 SER CA C 86 60.370 60.370 61.646 -1.276 19627 5772 1 14 . 1 1 86 86 SER CB C 86 63.258 63.258 63.034 0.224 19627 5773 1 14 . 1 1 87 87 LYS N N 87 116.161 116.161 118.342 -2.181 19627 5774 1 14 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.394 0.120 19627 5775 1 14 . 1 1 87 87 LYS CA C 87 56.479 56.479 55.774 0.705 19627 5776 1 14 . 1 1 87 87 LYS CB C 87 36.364 36.364 33.614 2.750 19627 5777 1 14 . 1 1 88 88 GLU N N 88 119.485 119.485 119.851 -0.366 19627 5778 1 14 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.770 0.693 19627 5779 1 14 . 1 1 88 88 GLU CA C 88 55.595 55.595 56.200 -0.605 19627 5780 1 14 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.888 1.713 19627 5781 1 14 . 1 1 89 89 MET N N 89 122.595 122.595 125.521 -2.926 19627 5782 1 14 . 1 1 89 89 MET HA H 89 4.940 4.940 5.058 -0.118 19627 5783 1 14 . 1 1 89 89 MET CA C 89 53.785 53.785 53.955 -0.170 19627 5784 1 14 . 1 1 89 89 MET CB C 89 36.210 36.210 36.918 -0.708 19627 5785 1 14 . 1 1 90 90 LYS N N 90 124.449 124.449 121.148 3.301 19627 5786 1 14 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.846 -0.051 19627 5787 1 14 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.481 -0.128 19627 5788 1 14 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.286 3.477 19627 5789 1 14 . 1 1 91 91 TRP N N 91 125.457 125.457 126.715 -1.258 19627 5790 1 14 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.992 0.522 19627 5791 1 14 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.985 -3.475 19627 5792 1 14 . 1 1 91 91 TRP CB C 91 34.752 34.752 29.558 5.194 19627 5793 1 14 . 1 1 92 92 GLU N N 92 123.111 123.111 125.145 -2.034 19627 5794 1 14 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.205 0.670 19627 5795 1 14 . 1 1 92 92 GLU C C 92 176.109 176.109 176.500 -0.391 19627 5796 1 14 . 1 1 92 92 GLU CA C 92 53.610 53.610 56.724 -3.114 19627 5797 1 14 . 1 1 92 92 GLU CB C 92 33.384 33.384 31.909 1.475 19627 5798 1 14 . 1 1 93 93 ASN N N 93 126.757 126.757 123.497 3.260 19627 5799 1 14 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.426 -0.023 19627 5800 1 14 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.692 -1.700 19627 5801 1 14 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.541 -0.938 19627 5802 1 14 . 1 1 94 94 ALA N N 94 130.509 130.509 119.401 11.108 19627 5803 1 14 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.160 0.045 19627 5804 1 14 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.280 -2.218 19627 5805 1 14 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.296 1.714 19627 5806 1 14 . 1 1 95 95 SER N N 95 114.601 114.601 115.004 -0.403 19627 5807 1 14 . 1 1 95 95 SER HA H 95 4.545 4.545 4.965 -0.420 19627 5808 1 14 . 1 1 95 95 SER CA C 95 54.544 54.544 55.459 -0.915 19627 5809 1 14 . 1 1 95 95 SER CB C 95 63.081 63.081 63.652 -0.571 19627 5810 1 14 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.218 0.086 19627 5811 1 14 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.391 0.197 19627 5812 1 14 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.852 0.406 19627 5813 1 14 . 1 1 97 97 LYS N N 97 118.117 118.117 117.450 0.667 19627 5814 1 14 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.014 0.134 19627 5815 1 14 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.710 -1.263 19627 5816 1 14 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.390 0.601 19627 5817 1 14 . 1 1 98 98 ASP N N 98 119.820 119.820 118.823 0.997 19627 5818 1 14 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.573 -0.248 19627 5819 1 14 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.234 0.364 19627 5820 1 14 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.631 -0.849 19627 5821 1 14 . 1 1 99 99 GLY N N 99 107.593 107.593 107.764 -0.171 19627 5822 1 14 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.881 0.755 19627 5823 1 14 . 1 1 100 100 ASN N N 100 119.859 119.859 118.354 1.505 19627 5824 1 14 . 1 1 100 100 ASN HA H 100 4.720 4.720 5.023 -0.303 19627 5825 1 14 . 1 1 100 100 ASN C C 100 175.832 175.832 173.622 2.210 19627 5826 1 14 . 1 1 100 100 ASN CA C 100 53.853 53.853 51.861 1.992 19627 5827 1 14 . 1 1 100 100 ASN CB C 100 38.772 38.772 41.545 -2.773 19627 5828 1 14 . 1 1 101 101 SER N N 101 117.380 117.380 114.111 3.269 19627 5829 1 14 . 1 1 101 101 SER HA H 101 4.533 4.533 4.935 -0.402 19627 5830 1 14 . 1 1 101 101 SER C C 101 175.075 175.075 173.342 1.733 19627 5831 1 14 . 1 1 101 101 SER CA C 101 57.658 57.658 57.456 0.202 19627 5832 1 14 . 1 1 101 101 SER CB C 101 64.927 64.927 66.709 -1.782 19627 5833 1 14 . 1 1 102 102 ASP N N 102 123.193 123.193 122.399 0.794 19627 5834 1 14 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.537 -0.931 19627 5835 1 14 . 1 1 102 102 ASP C C 102 177.297 177.297 175.985 1.312 19627 5836 1 14 . 1 1 102 102 ASP CA C 102 55.558 55.558 52.847 2.711 19627 5837 1 14 . 1 1 102 102 ASP CB C 102 40.668 40.668 42.229 -1.561 19627 5838 1 14 . 1 1 103 103 LYS N N 103 117.188 117.188 123.916 -6.728 19627 5839 1 14 . 1 1 103 103 LYS HA H 103 5.397 5.397 5.026 0.371 19627 5840 1 14 . 1 1 103 103 LYS CA C 103 55.561 55.561 54.708 0.853 19627 5841 1 14 . 1 1 103 103 LYS CB C 103 39.951 39.951 35.209 4.742 19627 5842 1 14 . 1 1 104 104 ARG N N 104 122.088 122.088 118.585 3.503 19627 5843 1 14 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.706 0.102 19627 5844 1 14 . 1 1 104 104 ARG C C 104 174.517 174.517 174.329 0.188 19627 5845 1 14 . 1 1 104 104 ARG CA C 104 55.684 55.684 55.054 0.630 19627 5846 1 14 . 1 1 104 104 ARG CB C 104 33.949 33.949 30.424 3.526 19627 5847 1 14 . 1 1 105 105 LEU N N 105 126.226 126.226 125.585 0.641 19627 5848 1 14 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.452 1.037 19627 5849 1 14 . 1 1 105 105 LEU CA C 105 55.142 55.142 56.099 -0.957 19627 5850 1 14 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.417 3.435 19627 5851 1 14 . 1 1 106 106 GLU N N 106 120.408 120.408 124.562 -4.154 19627 5852 1 14 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.474 0.871 19627 5853 1 14 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.298 -1.050 19627 5854 1 14 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.931 4.621 19627 5855 1 14 . 1 1 107 107 LYS N N 107 127.864 127.864 117.462 10.402 19627 5856 1 14 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.643 -0.169 19627 5857 1 14 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.242 -0.338 19627 5858 1 14 . 1 1 107 107 LYS CB C 107 32.373 32.373 31.826 0.547 19627 5859 1 14 . 1 1 108 108 TYR N N 108 127.870 127.870 122.575 5.295 19627 5860 1 14 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.595 -0.154 19627 5861 1 14 . 1 1 108 108 TYR CA C 108 57.519 57.519 57.503 0.016 19627 5862 1 14 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.547 1.576 19627 5863 1 14 . 1 1 109 109 ASN N N 109 123.534 123.534 127.678 -4.144 19627 5864 1 14 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.523 0.053 19627 5865 1 14 . 1 1 109 109 ASN CA C 109 53.020 53.020 52.804 0.215 19627 5866 1 14 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.910 2.686 19627 5867 1 15 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.710 -0.190 19627 5868 1 15 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.183 1.023 19627 5869 1 15 . 1 1 2 2 ASP CB C 2 41.225 41.225 40.387 0.838 19627 5870 1 15 . 1 1 3 3 GLU N N 3 119.869 119.869 120.574 -0.705 19627 5871 1 15 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.567 -0.368 19627 5872 1 15 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.056 0.973 19627 5873 1 15 . 1 1 3 3 GLU CB C 3 29.820 29.820 29.082 0.737 19627 5874 1 15 . 1 1 4 4 ASP N N 4 119.650 119.650 123.306 -3.656 19627 5875 1 15 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.794 -0.354 19627 5876 1 15 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.212 0.906 19627 5877 1 15 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.309 -0.063 19627 5878 1 15 . 1 1 5 5 ASP N N 5 119.339 119.339 120.968 -1.629 19627 5879 1 15 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.774 -0.144 19627 5880 1 15 . 1 1 5 5 ASP CA C 5 53.761 53.761 54.288 -0.527 19627 5881 1 15 . 1 1 5 5 ASP CB C 5 40.866 40.866 42.421 -1.555 19627 5882 1 15 . 1 1 6 6 LYS N N 6 121.265 121.265 118.005 3.260 19627 5883 1 15 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.015 0.202 19627 5884 1 15 . 1 1 6 6 LYS CA C 6 56.109 56.109 56.923 -0.814 19627 5885 1 15 . 1 1 6 6 LYS CB C 6 33.916 33.916 32.910 1.006 19627 5886 1 15 . 1 1 7 7 VAL N N 7 122.743 122.743 118.689 4.054 19627 5887 1 15 . 1 1 7 7 VAL HA H 7 4.051 4.051 5.183 -1.132 19627 5888 1 15 . 1 1 7 7 VAL CA C 7 62.504 62.504 59.835 2.669 19627 5889 1 15 . 1 1 7 7 VAL CB C 7 33.738 33.738 34.848 -1.110 19627 5890 1 15 . 1 1 8 8 GLU N N 8 129.254 129.254 125.706 3.548 19627 5891 1 15 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.685 -0.081 19627 5892 1 15 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.170 -1.087 19627 5893 1 15 . 1 1 8 8 GLU CB C 8 30.047 30.047 33.248 -3.201 19627 5894 1 15 . 1 1 9 9 ILE N N 9 123.662 123.662 124.315 -0.653 19627 5895 1 15 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.093 -0.274 19627 5896 1 15 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.859 -1.433 19627 5897 1 15 . 1 1 9 9 ILE CB C 9 34.840 34.840 36.395 -1.555 19627 5898 1 15 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.360 -0.022 19627 5899 1 15 . 1 1 10 10 PRO CA C 10 65.786 65.786 65.051 0.735 19627 5900 1 15 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.211 0.648 19627 5901 1 15 . 1 1 11 11 GLN N N 11 112.602 112.602 117.553 -4.951 19627 5902 1 15 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.186 0.036 19627 5903 1 15 . 1 1 11 11 GLN C C 11 176.461 176.461 178.529 -2.068 19627 5904 1 15 . 1 1 11 11 GLN CA C 11 55.805 55.805 59.007 -3.202 19627 5905 1 15 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.126 -0.265 19627 5906 1 15 . 1 1 12 12 LEU N N 12 119.555 119.555 120.493 -0.938 19627 5907 1 15 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.357 -0.449 19627 5908 1 15 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.988 0.127 19627 5909 1 15 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.588 1.715 19627 5910 1 15 . 1 1 13 13 VAL N N 13 112.720 112.720 115.765 -3.045 19627 5911 1 15 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.303 -0.551 19627 5912 1 15 . 1 1 13 13 VAL CA C 13 64.717 64.717 63.614 1.103 19627 5913 1 15 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.350 1.679 19627 5914 1 15 . 1 1 14 14 GLY N N 14 116.042 116.042 108.884 7.158 19627 5915 1 15 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.702 -0.951 19627 5916 1 15 . 1 1 15 15 LYS N N 15 120.788 120.788 118.278 2.510 19627 5917 1 15 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.875 0.310 19627 5918 1 15 . 1 1 15 15 LYS CA C 15 55.797 55.797 55.804 -0.007 19627 5919 1 15 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.306 0.853 19627 5920 1 15 . 1 1 16 16 TRP N N 16 123.983 123.983 120.212 3.771 19627 5921 1 15 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.862 0.053 19627 5922 1 15 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.878 -1.078 19627 5923 1 15 . 1 1 16 16 TRP CB C 16 34.179 34.179 32.686 1.493 19627 5924 1 15 . 1 1 17 17 ILE N N 17 122.229 122.229 123.971 -1.742 19627 5925 1 15 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.812 0.080 19627 5926 1 15 . 1 1 17 17 ILE CA C 17 58.782 58.782 59.295 -0.513 19627 5927 1 15 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.739 -0.155 19627 5928 1 15 . 1 1 18 18 VAL N N 18 126.326 126.326 127.474 -1.148 19627 5929 1 15 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.054 -0.213 19627 5930 1 15 . 1 1 18 18 VAL CA C 18 64.643 64.643 63.407 1.236 19627 5931 1 15 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.487 0.081 19627 5932 1 15 . 1 1 19 19 LYS N N 19 129.061 129.061 120.512 8.549 19627 5933 1 15 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.096 0.360 19627 5934 1 15 . 1 1 19 19 LYS CA C 19 54.524 54.524 57.537 -3.013 19627 5935 1 15 . 1 1 19 19 LYS CB C 19 33.173 33.173 31.926 1.247 19627 5936 1 15 . 1 1 20 20 GLU N N 20 118.305 118.305 118.662 -0.357 19627 5937 1 15 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.648 -0.258 19627 5938 1 15 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.739 0.379 19627 5939 1 15 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.760 1.753 19627 5940 1 15 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.414 0.193 19627 5941 1 15 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.872 -0.242 19627 5942 1 15 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.344 2.446 19627 5943 1 15 . 1 1 22 22 VAL N N 22 119.998 119.998 122.108 -2.110 19627 5944 1 15 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.990 0.027 19627 5945 1 15 . 1 1 22 22 VAL CA C 22 62.374 62.374 61.634 0.740 19627 5946 1 15 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.838 0.099 19627 5947 1 15 . 1 1 23 23 LEU N N 23 128.343 128.343 125.819 2.524 19627 5948 1 15 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.632 -0.185 19627 5949 1 15 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.728 -0.538 19627 5950 1 15 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.663 0.165 19627 5951 1 15 . 1 1 24 24 GLN N N 24 117.971 117.971 117.321 0.650 19627 5952 1 15 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.585 -0.325 19627 5953 1 15 . 1 1 24 24 GLN CA C 24 55.598 55.598 54.945 0.653 19627 5954 1 15 . 1 1 24 24 GLN CB C 24 30.104 30.104 30.087 0.017 19627 5955 1 15 . 1 1 25 25 ASP N N 25 117.501 117.501 119.364 -1.863 19627 5956 1 15 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.294 -0.088 19627 5957 1 15 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.411 0.358 19627 5958 1 15 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.365 -0.403 19627 5959 1 15 . 1 1 26 26 ASP N N 26 112.782 112.782 112.227 0.555 19627 5960 1 15 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.277 0.058 19627 5961 1 15 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.253 -0.094 19627 5962 1 15 . 1 1 26 26 ASP CB C 26 39.737 39.737 39.247 0.490 19627 5963 1 15 . 1 1 27 27 PHE N N 27 118.623 118.623 122.731 -4.108 19627 5964 1 15 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.090 0.337 19627 5965 1 15 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.751 -1.740 19627 5966 1 15 . 1 1 27 27 PHE CB C 27 40.533 40.533 38.484 2.049 19627 5967 1 15 . 1 1 28 28 VAL N N 28 119.117 119.117 122.580 -3.463 19627 5968 1 15 . 1 1 28 28 VAL HA H 28 4.500 4.500 3.726 0.774 19627 5969 1 15 . 1 1 28 28 VAL CA C 28 60.900 60.900 62.725 -1.825 19627 5970 1 15 . 1 1 28 28 VAL CB C 28 36.175 36.175 30.641 5.534 19627 5971 1 15 . 1 1 29 29 THR N N 29 124.304 124.304 117.530 6.774 19627 5972 1 15 . 1 1 29 29 THR HA H 29 5.212 5.212 4.446 0.766 19627 5973 1 15 . 1 1 29 29 THR CA C 29 62.051 62.051 62.508 -0.457 19627 5974 1 15 . 1 1 29 29 THR CB C 29 70.541 70.541 69.497 1.044 19627 5975 1 15 . 1 1 30 30 CYS N N 30 123.969 123.969 121.615 2.354 19627 5976 1 15 . 1 1 30 30 CYS HA H 30 5.581 5.581 4.986 0.595 19627 5977 1 15 . 1 1 30 30 CYS CA C 30 56.066 56.066 58.384 -2.318 19627 5978 1 15 . 1 1 30 30 CYS CB C 30 31.010 31.010 28.464 2.546 19627 5979 1 15 . 1 1 31 31 TYR N N 31 125.131 125.131 123.546 1.585 19627 5980 1 15 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.690 0.475 19627 5981 1 15 . 1 1 31 31 TYR CA C 31 57.270 57.270 58.419 -1.149 19627 5982 1 15 . 1 1 31 31 TYR CB C 31 43.631 43.631 38.936 4.695 19627 5983 1 15 . 1 1 32 32 THR N N 32 118.682 118.682 120.803 -2.121 19627 5984 1 15 . 1 1 32 32 THR HA H 32 5.122 5.122 4.627 0.495 19627 5985 1 15 . 1 1 32 32 THR CA C 32 61.828 61.828 62.170 -0.343 19627 5986 1 15 . 1 1 32 32 THR CB C 32 70.848 70.848 68.788 2.060 19627 5987 1 15 . 1 1 33 33 PHE N N 33 123.161 123.161 127.156 -3.995 19627 5988 1 15 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.410 0.434 19627 5989 1 15 . 1 1 33 33 PHE CA C 33 57.983 57.983 57.574 0.409 19627 5990 1 15 . 1 1 33 33 PHE CB C 33 40.905 40.905 39.991 0.914 19627 5991 1 15 . 1 1 34 34 ASN N N 34 119.699 119.699 119.091 0.608 19627 5992 1 15 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.971 0.384 19627 5993 1 15 . 1 1 34 34 ASN CA C 34 52.483 52.483 52.054 0.429 19627 5994 1 15 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.117 0.326 19627 5995 1 15 . 1 1 35 35 ALA N N 35 128.044 128.044 121.702 6.342 19627 5996 1 15 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.115 0.052 19627 5997 1 15 . 1 1 35 35 ALA CA C 35 54.814 54.814 55.207 -0.393 19627 5998 1 15 . 1 1 35 35 ALA CB C 35 18.405 18.405 18.997 -0.592 19627 5999 1 15 . 1 1 36 36 ASP N N 36 116.944 116.944 111.117 5.827 19627 6000 1 15 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.733 -0.296 19627 6001 1 15 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.130 -0.735 19627 6002 1 15 . 1 1 36 36 ASP CB C 36 39.512 39.512 40.867 -1.355 19627 6003 1 15 . 1 1 37 37 LYS N N 37 108.202 108.202 119.882 -11.680 19627 6004 1 15 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.394 -1.130 19627 6005 1 15 . 1 1 37 37 LYS CA C 37 59.074 59.074 56.932 2.142 19627 6006 1 15 . 1 1 37 37 LYS CB C 37 27.597 27.597 33.870 -6.273 19627 6007 1 15 . 1 1 38 38 THR N N 38 107.877 107.877 111.810 -3.933 19627 6008 1 15 . 1 1 38 38 THR HA H 38 5.403 5.403 4.989 0.414 19627 6009 1 15 . 1 1 38 38 THR CA C 38 61.011 61.011 60.669 0.342 19627 6010 1 15 . 1 1 38 38 THR CB C 38 72.829 72.829 70.958 1.871 19627 6011 1 15 . 1 1 39 39 TYR N N 39 117.837 117.837 123.500 -5.663 19627 6012 1 15 . 1 1 39 39 TYR HA H 39 5.714 5.714 4.916 0.798 19627 6013 1 15 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.797 -0.055 19627 6014 1 15 . 1 1 39 39 TYR CB C 39 43.579 43.579 40.427 3.152 19627 6015 1 15 . 1 1 40 40 GLU N N 40 118.677 118.677 119.352 -0.675 19627 6016 1 15 . 1 1 40 40 GLU HA H 40 5.253 5.253 4.862 0.392 19627 6017 1 15 . 1 1 40 40 GLU CA C 40 54.059 54.059 55.918 -1.859 19627 6018 1 15 . 1 1 40 40 GLU CB C 40 34.955 34.955 33.674 1.281 19627 6019 1 15 . 1 1 41 41 VAL N N 41 121.838 121.838 120.543 1.295 19627 6020 1 15 . 1 1 41 41 VAL HA H 41 5.159 5.159 5.235 -0.076 19627 6021 1 15 . 1 1 41 41 VAL CA C 41 59.540 59.540 60.037 -0.497 19627 6022 1 15 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.536 -0.212 19627 6023 1 15 . 1 1 42 42 TYR N N 42 126.740 126.740 119.801 6.939 19627 6024 1 15 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.918 -0.103 19627 6025 1 15 . 1 1 42 42 TYR CA C 42 56.841 56.841 57.569 -0.728 19627 6026 1 15 . 1 1 42 42 TYR CB C 42 42.293 42.293 42.075 0.218 19627 6027 1 15 . 1 1 43 43 THR N N 43 122.111 122.111 121.328 0.783 19627 6028 1 15 . 1 1 43 43 THR HA H 43 5.126 5.126 4.227 0.899 19627 6029 1 15 . 1 1 43 43 THR CA C 43 60.915 60.915 61.079 -0.164 19627 6030 1 15 . 1 1 43 43 THR CB C 43 70.667 70.667 70.471 0.196 19627 6031 1 15 . 1 1 44 44 GLY N N 44 112.123 112.123 116.311 -4.188 19627 6032 1 15 . 1 1 44 44 GLY CA C 44 45.038 45.038 44.758 0.280 19627 6033 1 15 . 1 1 45 45 SER N N 45 118.181 118.181 115.441 2.740 19627 6034 1 15 . 1 1 45 45 SER HA H 45 4.736 4.736 4.273 0.463 19627 6035 1 15 . 1 1 45 45 SER CA C 45 55.721 55.721 58.130 -2.409 19627 6036 1 15 . 1 1 45 45 SER CB C 45 64.234 64.234 62.967 1.267 19627 6037 1 15 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.641 -0.363 19627 6038 1 15 . 1 1 46 46 PRO CA C 46 64.903 64.903 63.947 0.956 19627 6039 1 15 . 1 1 46 46 PRO CB C 46 32.100 32.100 31.962 0.138 19627 6040 1 15 . 1 1 47 47 LEU N N 47 115.053 115.053 117.950 -2.897 19627 6041 1 15 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.372 -0.096 19627 6042 1 15 . 1 1 47 47 LEU CA C 47 54.820 54.820 55.789 -0.969 19627 6043 1 15 . 1 1 47 47 LEU CB C 47 42.497 42.497 43.111 -0.614 19627 6044 1 15 . 1 1 48 48 SER N N 48 114.930 114.930 112.731 2.199 19627 6045 1 15 . 1 1 48 48 SER HA H 48 4.418 4.418 4.524 -0.106 19627 6046 1 15 . 1 1 48 48 SER CA C 48 57.896 57.896 57.891 0.005 19627 6047 1 15 . 1 1 48 48 SER CB C 48 64.328 64.328 64.206 0.122 19627 6048 1 15 . 1 1 49 49 ASN N N 49 121.801 121.801 120.203 1.598 19627 6049 1 15 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.083 0.600 19627 6050 1 15 . 1 1 49 49 ASN CA C 49 53.247 53.247 54.176 -0.929 19627 6051 1 15 . 1 1 49 49 ASN CB C 49 39.147 39.147 37.513 1.634 19627 6052 1 15 . 1 1 50 50 GLY N N 50 108.685 108.685 106.003 2.682 19627 6053 1 15 . 1 1 50 50 GLY CA C 50 45.049 45.049 46.319 -1.270 19627 6054 1 15 . 1 1 51 51 VAL N N 51 121.162 121.162 122.488 -1.326 19627 6055 1 15 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.542 -0.148 19627 6056 1 15 . 1 1 51 51 VAL CA C 51 59.658 59.658 58.419 1.240 19627 6057 1 15 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.934 0.550 19627 6058 1 15 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.862 -0.201 19627 6059 1 15 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.087 0.806 19627 6060 1 15 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.606 0.290 19627 6061 1 15 . 1 1 53 53 PHE N N 53 123.537 123.537 121.044 2.493 19627 6062 1 15 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.686 -0.108 19627 6063 1 15 . 1 1 53 53 PHE CA C 53 57.762 57.762 57.047 0.715 19627 6064 1 15 . 1 1 53 53 PHE CB C 53 40.652 40.652 42.515 -1.863 19627 6065 1 15 . 1 1 54 54 ARG N N 54 124.570 124.570 122.105 2.465 19627 6066 1 15 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.406 0.488 19627 6067 1 15 . 1 1 54 54 ARG CA C 54 54.601 54.601 55.096 -0.494 19627 6068 1 15 . 1 1 54 54 ARG CB C 54 33.401 33.401 32.504 0.897 19627 6069 1 15 . 1 1 55 55 GLY N N 55 107.998 107.998 110.056 -2.058 19627 6070 1 15 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.207 0.335 19627 6071 1 15 . 1 1 56 56 THR N N 56 114.021 114.021 115.092 -1.071 19627 6072 1 15 . 1 1 56 56 THR HA H 56 5.777 5.777 5.171 0.606 19627 6073 1 15 . 1 1 56 56 THR CA C 56 60.409 60.409 60.515 -0.106 19627 6074 1 15 . 1 1 56 56 THR CB C 56 72.641 72.641 70.853 1.788 19627 6075 1 15 . 1 1 57 57 TYR N N 57 115.684 115.684 124.402 -8.718 19627 6076 1 15 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.277 0.979 19627 6077 1 15 . 1 1 57 57 TYR CA C 57 55.645 55.645 56.068 -0.423 19627 6078 1 15 . 1 1 57 57 TYR CB C 57 43.352 43.352 40.013 3.339 19627 6079 1 15 . 1 1 58 58 ILE N N 58 118.048 118.048 121.095 -3.047 19627 6080 1 15 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.239 0.116 19627 6081 1 15 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.150 -0.141 19627 6082 1 15 . 1 1 58 58 ILE CB C 58 42.925 42.925 41.525 1.400 19627 6083 1 15 . 1 1 59 59 ILE N N 59 124.887 124.887 123.334 1.553 19627 6084 1 15 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.672 0.332 19627 6085 1 15 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.814 -1.539 19627 6086 1 15 . 1 1 59 59 ILE CB C 59 40.709 40.709 40.922 -0.213 19627 6087 1 15 . 1 1 60 60 SER N N 60 122.768 122.768 114.665 8.103 19627 6088 1 15 . 1 1 60 60 SER HA H 60 4.835 4.835 4.682 0.153 19627 6089 1 15 . 1 1 60 60 SER CA C 60 55.735 55.735 58.042 -2.307 19627 6090 1 15 . 1 1 60 60 SER CB C 60 63.250 63.250 64.892 -1.642 19627 6091 1 15 . 1 1 61 61 LEU N N 61 129.303 129.303 122.694 6.609 19627 6092 1 15 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.600 -0.754 19627 6093 1 15 . 1 1 61 61 LEU CA C 61 58.659 58.659 55.493 3.166 19627 6094 1 15 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.861 -0.899 19627 6095 1 15 . 1 1 62 62 ASP N N 62 118.454 118.454 120.631 -2.177 19627 6096 1 15 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.425 -0.122 19627 6097 1 15 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.670 0.444 19627 6098 1 15 . 1 1 62 62 ASP CB C 62 40.178 40.178 41.311 -1.133 19627 6099 1 15 . 1 1 63 63 GLU N N 63 115.083 115.083 116.773 -1.690 19627 6100 1 15 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.394 -0.163 19627 6101 1 15 . 1 1 63 63 GLU CA C 63 55.915 55.915 56.823 -0.908 19627 6102 1 15 . 1 1 63 63 GLU CB C 63 31.398 31.398 30.535 0.864 19627 6103 1 15 . 1 1 64 64 LYS N N 64 117.578 117.578 120.012 -2.434 19627 6104 1 15 . 1 1 65 65 LEU N N 65 119.527 119.527 112.975 6.552 19627 6105 1 15 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.648 0.502 19627 6106 1 15 . 1 1 65 65 LEU CA C 65 53.355 53.355 52.547 0.807 19627 6107 1 15 . 1 1 65 65 LEU CB C 65 47.627 47.627 43.919 3.708 19627 6108 1 15 . 1 1 66 66 ILE N N 66 123.527 123.527 121.123 2.404 19627 6109 1 15 . 1 1 66 66 ILE HA H 66 5.003 5.003 4.345 0.658 19627 6110 1 15 . 1 1 66 66 ILE CA C 66 58.348 58.348 61.064 -2.716 19627 6111 1 15 . 1 1 66 66 ILE CB C 66 42.093 42.093 37.979 4.114 19627 6112 1 15 . 1 1 67 67 LYS N N 67 125.168 125.168 129.630 -4.462 19627 6113 1 15 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.566 -0.160 19627 6114 1 15 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.461 0.821 19627 6115 1 15 . 1 1 67 67 LYS CB C 67 36.248 36.248 35.949 0.299 19627 6116 1 15 . 1 1 68 68 LEU N N 68 123.218 123.218 124.920 -1.702 19627 6117 1 15 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.431 0.367 19627 6118 1 15 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.596 1.234 19627 6119 1 15 . 1 1 68 68 LEU CB C 68 40.826 40.826 41.435 -0.610 19627 6120 1 15 . 1 1 69 69 TYR N N 69 119.751 119.751 123.248 -3.497 19627 6121 1 15 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.116 0.308 19627 6122 1 15 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.154 0.012 19627 6123 1 15 . 1 1 69 69 TYR CB C 69 42.319 42.319 41.005 1.314 19627 6124 1 15 . 1 1 70 70 ASP N N 70 120.335 120.335 119.684 0.651 19627 6125 1 15 . 1 1 70 70 ASP HA H 70 5.042 5.042 4.972 0.070 19627 6126 1 15 . 1 1 70 70 ASP CA C 70 52.428 52.428 52.194 0.234 19627 6127 1 15 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.556 -0.346 19627 6128 1 15 . 1 1 71 71 LYS N N 71 117.975 117.975 120.012 -2.037 19627 6129 1 15 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.060 0.145 19627 6130 1 15 . 1 1 71 71 LYS CA C 71 58.189 58.189 59.010 -0.821 19627 6131 1 15 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.997 0.227 19627 6132 1 15 . 1 1 72 72 GLU N N 72 119.779 119.779 118.794 0.985 19627 6133 1 15 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.241 0.035 19627 6134 1 15 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.874 -1.051 19627 6135 1 15 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.460 0.179 19627 6136 1 15 . 1 1 73 73 GLU N N 73 112.572 112.572 117.739 -5.167 19627 6137 1 15 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.153 -0.547 19627 6138 1 15 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.810 0.281 19627 6139 1 15 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.692 -0.792 19627 6140 1 15 . 1 1 74 74 HIS N N 74 118.561 118.561 114.605 3.956 19627 6141 1 15 . 1 1 74 74 HIS HA H 74 4.872 4.872 5.101 -0.229 19627 6142 1 15 . 1 1 74 74 HIS CA C 74 54.491 54.491 53.841 0.650 19627 6143 1 15 . 1 1 74 74 HIS CB C 74 28.650 28.650 31.814 -3.164 19627 6144 1 15 . 1 1 75 75 CYS N N 75 126.459 126.459 119.808 6.651 19627 6145 1 15 . 1 1 75 75 CYS HA H 75 4.050 4.050 4.523 -0.473 19627 6146 1 15 . 1 1 75 75 CYS CA C 75 58.539 58.539 56.561 1.978 19627 6147 1 15 . 1 1 75 75 CYS CB C 75 26.305 26.305 29.305 -3.000 19627 6148 1 15 . 1 1 76 76 THR N N 76 123.868 123.868 118.081 5.787 19627 6149 1 15 . 1 1 76 76 THR HA H 76 4.115 4.115 4.238 -0.123 19627 6150 1 15 . 1 1 76 76 THR CA C 76 62.701 62.701 63.746 -1.045 19627 6151 1 15 . 1 1 76 76 THR CB C 76 68.451 68.451 70.200 -1.749 19627 6152 1 15 . 1 1 77 77 GLU N N 77 120.185 120.185 118.863 1.322 19627 6153 1 15 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.575 -0.400 19627 6154 1 15 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.090 -0.393 19627 6155 1 15 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.072 1.028 19627 6156 1 15 . 1 1 78 78 GLN N N 78 118.401 118.401 116.079 2.322 19627 6157 1 15 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.570 0.127 19627 6158 1 15 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.504 -0.571 19627 6159 1 15 . 1 1 78 78 GLN CB C 78 31.842 31.842 31.980 -0.139 19627 6160 1 15 . 1 1 79 79 TYR N N 79 116.069 116.069 114.380 1.689 19627 6161 1 15 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.995 -0.145 19627 6162 1 15 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.517 -0.518 19627 6163 1 15 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.196 0.617 19627 6164 1 15 . 1 1 80 80 HIS N N 80 119.747 119.747 119.133 0.614 19627 6165 1 15 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.535 0.638 19627 6166 1 15 . 1 1 80 80 HIS CA C 80 55.121 55.121 56.413 -1.292 19627 6167 1 15 . 1 1 80 80 HIS CB C 80 29.720 29.720 32.354 -2.634 19627 6168 1 15 . 1 1 81 81 ILE N N 81 126.268 126.268 121.299 4.969 19627 6169 1 15 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.948 0.272 19627 6170 1 15 . 1 1 81 81 ILE CA C 81 61.739 61.739 60.688 1.051 19627 6171 1 15 . 1 1 81 81 ILE CB C 81 38.354 38.354 37.949 0.405 19627 6172 1 15 . 1 1 82 82 LEU N N 82 127.552 127.552 128.444 -0.892 19627 6173 1 15 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.228 -0.134 19627 6174 1 15 . 1 1 82 82 LEU CA C 82 55.392 55.392 57.590 -2.197 19627 6175 1 15 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.284 0.831 19627 6176 1 15 . 1 1 83 83 LYS N N 83 115.809 115.809 113.174 2.635 19627 6177 1 15 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.673 -0.473 19627 6178 1 15 . 1 1 83 83 LYS CA C 83 55.693 55.693 54.092 1.601 19627 6179 1 15 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.705 0.217 19627 6180 1 15 . 1 1 84 84 LEU N N 84 129.953 129.953 122.188 7.765 19627 6181 1 15 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.827 0.007 19627 6182 1 15 . 1 1 84 84 LEU CA C 84 53.614 53.614 54.514 -0.900 19627 6183 1 15 . 1 1 84 84 LEU CB C 84 43.767 43.767 44.482 -0.715 19627 6184 1 15 . 1 1 85 85 THR N N 85 119.648 119.648 115.484 4.164 19627 6185 1 15 . 1 1 85 85 THR HA H 85 4.897 4.897 5.004 -0.107 19627 6186 1 15 . 1 1 85 85 THR CA C 85 58.717 58.717 60.049 -1.332 19627 6187 1 15 . 1 1 85 85 THR CB C 85 72.356 72.356 71.637 0.719 19627 6188 1 15 . 1 1 86 86 SER N N 86 108.790 108.790 115.318 -6.528 19627 6189 1 15 . 1 1 86 86 SER HA H 86 4.165 4.165 4.325 -0.160 19627 6190 1 15 . 1 1 86 86 SER CA C 86 60.370 60.370 61.882 -1.512 19627 6191 1 15 . 1 1 86 86 SER CB C 86 63.258 63.258 63.266 -0.008 19627 6192 1 15 . 1 1 87 87 LYS N N 87 116.161 116.161 115.302 0.859 19627 6193 1 15 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.410 0.104 19627 6194 1 15 . 1 1 87 87 LYS CA C 87 56.479 56.479 55.823 0.656 19627 6195 1 15 . 1 1 87 87 LYS CB C 87 36.364 36.364 32.594 3.770 19627 6196 1 15 . 1 1 88 88 GLU N N 88 119.485 119.485 119.199 0.286 19627 6197 1 15 . 1 1 88 88 GLU HA H 88 5.463 5.463 5.052 0.411 19627 6198 1 15 . 1 1 88 88 GLU CA C 88 55.595 55.595 56.080 -0.484 19627 6199 1 15 . 1 1 88 88 GLU CB C 88 35.601 35.601 34.141 1.460 19627 6200 1 15 . 1 1 89 89 MET N N 89 122.595 122.595 124.775 -2.180 19627 6201 1 15 . 1 1 89 89 MET HA H 89 4.940 4.940 5.010 -0.070 19627 6202 1 15 . 1 1 89 89 MET CA C 89 53.785 53.785 54.174 -0.389 19627 6203 1 15 . 1 1 89 89 MET CB C 89 36.210 36.210 37.066 -0.856 19627 6204 1 15 . 1 1 90 90 LYS N N 90 124.449 124.449 124.342 0.107 19627 6205 1 15 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.745 0.050 19627 6206 1 15 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.789 -0.436 19627 6207 1 15 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.657 3.107 19627 6208 1 15 . 1 1 91 91 TRP N N 91 125.457 125.457 127.308 -1.851 19627 6209 1 15 . 1 1 91 91 TRP HA H 91 5.514 5.514 5.238 0.276 19627 6210 1 15 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.884 -3.374 19627 6211 1 15 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.120 4.632 19627 6212 1 15 . 1 1 92 92 GLU N N 92 123.111 123.111 126.273 -3.162 19627 6213 1 15 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.237 0.638 19627 6214 1 15 . 1 1 92 92 GLU C C 92 176.109 176.109 177.435 -1.326 19627 6215 1 15 . 1 1 92 92 GLU CA C 92 53.610 53.610 56.130 -2.520 19627 6216 1 15 . 1 1 92 92 GLU CB C 92 33.384 33.384 31.830 1.554 19627 6217 1 15 . 1 1 93 93 ASN N N 93 126.757 126.757 125.063 1.694 19627 6218 1 15 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.433 -0.030 19627 6219 1 15 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.703 -1.711 19627 6220 1 15 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.394 -0.791 19627 6221 1 15 . 1 1 94 94 ALA N N 94 130.509 130.509 120.525 9.984 19627 6222 1 15 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.083 0.122 19627 6223 1 15 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.087 -2.025 19627 6224 1 15 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.050 1.960 19627 6225 1 15 . 1 1 95 95 SER N N 95 114.601 114.601 114.311 0.290 19627 6226 1 15 . 1 1 95 95 SER HA H 95 4.545 4.545 4.832 -0.287 19627 6227 1 15 . 1 1 95 95 SER CA C 95 54.544 54.544 54.524 0.020 19627 6228 1 15 . 1 1 95 95 SER CB C 95 63.081 63.081 63.929 -0.848 19627 6229 1 15 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.432 -0.128 19627 6230 1 15 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.308 0.281 19627 6231 1 15 . 1 1 96 96 PRO CB C 96 32.258 32.258 32.086 0.172 19627 6232 1 15 . 1 1 97 97 LYS N N 97 118.117 118.117 117.867 0.250 19627 6233 1 15 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.141 0.007 19627 6234 1 15 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.250 -0.803 19627 6235 1 15 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.671 0.320 19627 6236 1 15 . 1 1 98 98 ASP N N 98 119.820 119.820 117.871 1.949 19627 6237 1 15 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.622 -0.297 19627 6238 1 15 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.823 -0.225 19627 6239 1 15 . 1 1 98 98 ASP CB C 98 40.782 40.782 42.050 -1.268 19627 6240 1 15 . 1 1 99 99 GLY N N 99 107.593 107.593 107.268 0.325 19627 6241 1 15 . 1 1 99 99 GLY CA C 99 45.636 45.636 45.034 0.602 19627 6242 1 15 . 1 1 100 100 ASN N N 100 119.859 119.859 119.164 0.695 19627 6243 1 15 . 1 1 100 100 ASN HA H 100 4.720 4.720 5.628 -0.908 19627 6244 1 15 . 1 1 100 100 ASN C C 100 175.832 175.832 174.857 0.975 19627 6245 1 15 . 1 1 100 100 ASN CA C 100 53.853 53.853 51.992 1.861 19627 6246 1 15 . 1 1 100 100 ASN CB C 100 38.772 38.772 41.444 -2.672 19627 6247 1 15 . 1 1 101 101 SER N N 101 117.380 117.380 113.269 4.111 19627 6248 1 15 . 1 1 101 101 SER HA H 101 4.533 4.533 4.815 -0.282 19627 6249 1 15 . 1 1 101 101 SER C C 101 175.075 175.075 173.101 1.974 19627 6250 1 15 . 1 1 101 101 SER CA C 101 57.658 57.658 57.147 0.511 19627 6251 1 15 . 1 1 101 101 SER CB C 101 64.927 64.927 65.994 -1.067 19627 6252 1 15 . 1 1 102 102 ASP N N 102 123.193 123.193 120.253 2.940 19627 6253 1 15 . 1 1 102 102 ASP HA H 102 4.606 4.606 4.935 -0.329 19627 6254 1 15 . 1 1 102 102 ASP C C 102 177.297 177.297 176.314 0.983 19627 6255 1 15 . 1 1 102 102 ASP CA C 102 55.558 55.558 53.290 2.268 19627 6256 1 15 . 1 1 102 102 ASP CB C 102 40.668 40.668 40.884 -0.216 19627 6257 1 15 . 1 1 103 103 LYS N N 103 117.188 117.188 119.666 -2.478 19627 6258 1 15 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.205 1.192 19627 6259 1 15 . 1 1 103 103 LYS CA C 103 55.561 55.561 56.330 -0.769 19627 6260 1 15 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.332 6.619 19627 6261 1 15 . 1 1 104 104 ARG N N 104 122.088 122.088 122.433 -0.345 19627 6262 1 15 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.755 0.053 19627 6263 1 15 . 1 1 104 104 ARG C C 104 174.517 174.517 174.721 -0.204 19627 6264 1 15 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.390 1.294 19627 6265 1 15 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.341 2.608 19627 6266 1 15 . 1 1 105 105 LEU N N 105 126.226 126.226 126.870 -0.644 19627 6267 1 15 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.512 0.977 19627 6268 1 15 . 1 1 105 105 LEU CA C 105 55.142 55.142 56.016 -0.874 19627 6269 1 15 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.495 3.357 19627 6270 1 15 . 1 1 106 106 GLU N N 106 120.408 120.408 124.135 -3.727 19627 6271 1 15 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.460 0.885 19627 6272 1 15 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.269 -1.020 19627 6273 1 15 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.843 4.709 19627 6274 1 15 . 1 1 107 107 LYS N N 107 127.864 127.864 117.723 10.141 19627 6275 1 15 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.524 -0.050 19627 6276 1 15 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.626 -0.722 19627 6277 1 15 . 1 1 107 107 LYS CB C 107 32.373 32.373 31.695 0.678 19627 6278 1 15 . 1 1 108 108 TYR N N 108 127.870 127.870 122.777 5.093 19627 6279 1 15 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.554 -0.113 19627 6280 1 15 . 1 1 108 108 TYR CA C 108 57.519 57.519 57.867 -0.348 19627 6281 1 15 . 1 1 108 108 TYR CB C 108 40.123 40.123 37.917 2.206 19627 6282 1 15 . 1 1 109 109 ASN N N 109 123.534 123.534 124.342 -0.808 19627 6283 1 15 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.535 0.041 19627 6284 1 15 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.420 -0.400 19627 6285 1 15 . 1 1 109 109 ASN CB C 109 40.596 40.596 40.730 -0.133 19627 6286 1 16 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.613 -0.093 19627 6287 1 16 . 1 1 2 2 ASP CA C 2 55.206 55.206 55.010 0.196 19627 6288 1 16 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.536 -0.312 19627 6289 1 16 . 1 1 3 3 GLU N N 3 119.869 119.869 119.227 0.642 19627 6290 1 16 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.500 -0.301 19627 6291 1 16 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.081 0.948 19627 6292 1 16 . 1 1 3 3 GLU CB C 3 29.820 29.820 29.642 0.178 19627 6293 1 16 . 1 1 4 4 ASP N N 4 119.650 119.650 121.123 -1.473 19627 6294 1 16 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.699 -0.259 19627 6295 1 16 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.294 0.824 19627 6296 1 16 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.539 -0.294 19627 6297 1 16 . 1 1 5 5 ASP N N 5 119.339 119.339 121.071 -1.732 19627 6298 1 16 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.714 -0.084 19627 6299 1 16 . 1 1 5 5 ASP CA C 5 53.761 53.761 54.334 -0.573 19627 6300 1 16 . 1 1 5 5 ASP CB C 5 40.866 40.866 40.737 0.129 19627 6301 1 16 . 1 1 6 6 LYS N N 6 121.265 121.265 115.975 5.290 19627 6302 1 16 . 1 1 6 6 LYS HA H 6 4.217 4.217 3.928 0.289 19627 6303 1 16 . 1 1 6 6 LYS CA C 6 56.109 56.109 57.241 -1.132 19627 6304 1 16 . 1 1 6 6 LYS CB C 6 33.916 33.916 32.169 1.748 19627 6305 1 16 . 1 1 7 7 VAL N N 7 122.743 122.743 121.598 1.145 19627 6306 1 16 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.334 -0.283 19627 6307 1 16 . 1 1 7 7 VAL CA C 7 62.504 62.504 61.802 0.702 19627 6308 1 16 . 1 1 7 7 VAL CB C 7 33.738 33.738 31.187 2.551 19627 6309 1 16 . 1 1 8 8 GLU N N 8 129.254 129.254 128.162 1.092 19627 6310 1 16 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.553 0.051 19627 6311 1 16 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.002 -0.919 19627 6312 1 16 . 1 1 8 8 GLU CB C 8 30.047 30.047 31.842 -1.795 19627 6313 1 16 . 1 1 9 9 ILE N N 9 123.662 123.662 122.737 0.925 19627 6314 1 16 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.109 -0.290 19627 6315 1 16 . 1 1 9 9 ILE CA C 9 63.426 63.426 65.183 -1.757 19627 6316 1 16 . 1 1 9 9 ILE CB C 9 34.840 34.840 36.175 -1.335 19627 6317 1 16 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.332 0.006 19627 6318 1 16 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.917 0.869 19627 6319 1 16 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.307 0.552 19627 6320 1 16 . 1 1 11 11 GLN N N 11 112.602 112.602 118.309 -5.707 19627 6321 1 16 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.235 -0.013 19627 6322 1 16 . 1 1 11 11 GLN C C 11 176.461 176.461 178.132 -1.671 19627 6323 1 16 . 1 1 11 11 GLN CA C 11 55.805 55.805 58.288 -2.482 19627 6324 1 16 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.126 -0.265 19627 6325 1 16 . 1 1 12 12 LEU N N 12 119.555 119.555 121.078 -1.523 19627 6326 1 16 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.257 -0.349 19627 6327 1 16 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.672 0.443 19627 6328 1 16 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.843 1.460 19627 6329 1 16 . 1 1 13 13 VAL N N 13 112.720 112.720 116.037 -3.317 19627 6330 1 16 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.897 -0.145 19627 6331 1 16 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.137 0.580 19627 6332 1 16 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.804 1.225 19627 6333 1 16 . 1 1 14 14 GLY N N 14 116.042 116.042 107.006 9.036 19627 6334 1 16 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.076 -0.325 19627 6335 1 16 . 1 1 15 15 LYS N N 15 120.788 120.788 119.656 1.132 19627 6336 1 16 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.505 0.680 19627 6337 1 16 . 1 1 15 15 LYS CA C 15 55.797 55.797 55.470 0.327 19627 6338 1 16 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.568 0.591 19627 6339 1 16 . 1 1 16 16 TRP N N 16 123.983 123.983 121.147 2.836 19627 6340 1 16 . 1 1 16 16 TRP HA H 16 4.915 4.915 5.044 -0.129 19627 6341 1 16 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.518 -0.718 19627 6342 1 16 . 1 1 16 16 TRP CB C 16 34.179 34.179 32.971 1.208 19627 6343 1 16 . 1 1 17 17 ILE N N 17 122.229 122.229 122.138 0.091 19627 6344 1 16 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.807 0.085 19627 6345 1 16 . 1 1 17 17 ILE CA C 17 58.782 58.782 59.221 -0.439 19627 6346 1 16 . 1 1 17 17 ILE CB C 17 40.584 40.584 41.231 -0.647 19627 6347 1 16 . 1 1 18 18 VAL N N 18 126.326 126.326 127.305 -0.979 19627 6348 1 16 . 1 1 18 18 VAL HA H 18 3.841 3.841 3.895 -0.054 19627 6349 1 16 . 1 1 18 18 VAL CA C 18 64.643 64.643 63.179 1.464 19627 6350 1 16 . 1 1 18 18 VAL CB C 18 31.568 31.568 30.932 0.636 19627 6351 1 16 . 1 1 19 19 LYS N N 19 129.061 129.061 121.641 7.420 19627 6352 1 16 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.164 0.292 19627 6353 1 16 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.498 -1.974 19627 6354 1 16 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.959 2.214 19627 6355 1 16 . 1 1 20 20 GLU N N 20 118.305 118.305 119.973 -1.668 19627 6356 1 16 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.640 -0.250 19627 6357 1 16 . 1 1 20 20 GLU CA C 20 54.118 54.118 54.259 -0.141 19627 6358 1 16 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.887 1.626 19627 6359 1 16 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.533 0.074 19627 6360 1 16 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.483 0.147 19627 6361 1 16 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.504 2.286 19627 6362 1 16 . 1 1 22 22 VAL N N 22 119.998 119.998 119.616 0.382 19627 6363 1 16 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.868 0.149 19627 6364 1 16 . 1 1 22 22 VAL CA C 22 62.374 62.374 63.241 -0.867 19627 6365 1 16 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.017 0.920 19627 6366 1 16 . 1 1 23 23 LEU N N 23 128.343 128.343 126.971 1.372 19627 6367 1 16 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.357 0.090 19627 6368 1 16 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.883 -0.693 19627 6369 1 16 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.268 0.560 19627 6370 1 16 . 1 1 24 24 GLN N N 24 117.971 117.971 118.254 -0.283 19627 6371 1 16 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.563 -0.303 19627 6372 1 16 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.002 0.596 19627 6373 1 16 . 1 1 24 24 GLN CB C 24 30.104 30.104 30.139 -0.035 19627 6374 1 16 . 1 1 25 25 ASP N N 25 117.501 117.501 119.145 -1.644 19627 6375 1 16 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.312 -0.106 19627 6376 1 16 . 1 1 25 25 ASP CA C 25 55.769 55.769 56.749 -0.980 19627 6377 1 16 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.363 -0.401 19627 6378 1 16 . 1 1 26 26 ASP N N 26 112.782 112.782 120.655 -7.873 19627 6379 1 16 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.690 -0.355 19627 6380 1 16 . 1 1 26 26 ASP CA C 26 55.159 55.159 54.210 0.949 19627 6381 1 16 . 1 1 26 26 ASP CB C 26 39.737 39.737 41.188 -1.451 19627 6382 1 16 . 1 1 27 27 PHE N N 27 118.623 118.623 121.353 -2.730 19627 6383 1 16 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.530 -0.103 19627 6384 1 16 . 1 1 27 27 PHE CA C 27 58.011 58.011 58.840 -0.829 19627 6385 1 16 . 1 1 27 27 PHE CB C 27 40.533 40.533 39.215 1.318 19627 6386 1 16 . 1 1 28 28 VAL N N 28 119.117 119.117 124.847 -5.730 19627 6387 1 16 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.251 0.249 19627 6388 1 16 . 1 1 28 28 VAL CA C 28 60.900 60.900 61.821 -0.921 19627 6389 1 16 . 1 1 28 28 VAL CB C 28 36.175 36.175 34.252 1.923 19627 6390 1 16 . 1 1 29 29 THR N N 29 124.304 124.304 119.136 5.168 19627 6391 1 16 . 1 1 29 29 THR HA H 29 5.212 5.212 4.433 0.779 19627 6392 1 16 . 1 1 29 29 THR CA C 29 62.051 62.051 61.694 0.357 19627 6393 1 16 . 1 1 29 29 THR CB C 29 70.541 70.541 71.415 -0.874 19627 6394 1 16 . 1 1 30 30 CYS N N 30 123.969 123.969 122.025 1.944 19627 6395 1 16 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.345 0.236 19627 6396 1 16 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.197 -0.130 19627 6397 1 16 . 1 1 30 30 CYS CB C 30 31.010 31.010 31.067 -0.057 19627 6398 1 16 . 1 1 31 31 TYR N N 31 125.131 125.131 121.711 3.420 19627 6399 1 16 . 1 1 31 31 TYR HA H 31 5.165 5.165 5.407 -0.242 19627 6400 1 16 . 1 1 31 31 TYR CA C 31 57.270 57.270 54.930 2.340 19627 6401 1 16 . 1 1 31 31 TYR CB C 31 43.631 43.631 39.207 4.424 19627 6402 1 16 . 1 1 32 32 THR N N 32 118.682 118.682 121.391 -2.709 19627 6403 1 16 . 1 1 32 32 THR HA H 32 5.122 5.122 4.834 0.288 19627 6404 1 16 . 1 1 32 32 THR CA C 32 61.828 61.828 61.659 0.169 19627 6405 1 16 . 1 1 32 32 THR CB C 32 70.848 70.848 69.158 1.690 19627 6406 1 16 . 1 1 33 33 PHE N N 33 123.161 123.161 126.593 -3.432 19627 6407 1 16 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.467 0.377 19627 6408 1 16 . 1 1 33 33 PHE CA C 33 57.983 57.983 59.556 -1.573 19627 6409 1 16 . 1 1 33 33 PHE CB C 33 40.905 40.905 39.449 1.456 19627 6410 1 16 . 1 1 34 34 ASN N N 34 119.699 119.699 117.767 1.932 19627 6411 1 16 . 1 1 34 34 ASN HA H 34 5.355 5.355 5.090 0.265 19627 6412 1 16 . 1 1 34 34 ASN CA C 34 52.483 52.483 51.520 0.963 19627 6413 1 16 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.352 0.091 19627 6414 1 16 . 1 1 35 35 ALA N N 35 128.044 128.044 120.729 7.315 19627 6415 1 16 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.177 -0.010 19627 6416 1 16 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.850 -0.036 19627 6417 1 16 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.021 -0.616 19627 6418 1 16 . 1 1 36 36 ASP N N 36 116.944 116.944 111.914 5.030 19627 6419 1 16 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.669 -0.232 19627 6420 1 16 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.593 -1.198 19627 6421 1 16 . 1 1 36 36 ASP CB C 36 39.512 39.512 40.831 -1.319 19627 6422 1 16 . 1 1 37 37 LYS N N 37 108.202 108.202 121.569 -13.367 19627 6423 1 16 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.233 -0.969 19627 6424 1 16 . 1 1 37 37 LYS CA C 37 59.074 59.074 58.150 0.924 19627 6425 1 16 . 1 1 37 37 LYS CB C 37 27.597 27.597 32.707 -5.110 19627 6426 1 16 . 1 1 38 38 THR N N 38 107.877 107.877 106.770 1.107 19627 6427 1 16 . 1 1 38 38 THR HA H 38 5.403 5.403 4.709 0.694 19627 6428 1 16 . 1 1 38 38 THR CA C 38 61.011 61.011 60.378 0.633 19627 6429 1 16 . 1 1 38 38 THR CB C 38 72.829 72.829 70.013 2.816 19627 6430 1 16 . 1 1 39 39 TYR N N 39 117.837 117.837 117.352 0.485 19627 6431 1 16 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.326 0.388 19627 6432 1 16 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.122 0.620 19627 6433 1 16 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.276 2.303 19627 6434 1 16 . 1 1 40 40 GLU N N 40 118.677 118.677 119.101 -0.424 19627 6435 1 16 . 1 1 40 40 GLU HA H 40 5.253 5.253 4.779 0.474 19627 6436 1 16 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.269 -0.210 19627 6437 1 16 . 1 1 40 40 GLU CB C 40 34.955 34.955 33.749 1.206 19627 6438 1 16 . 1 1 41 41 VAL N N 41 121.838 121.838 120.651 1.187 19627 6439 1 16 . 1 1 41 41 VAL HA H 41 5.159 5.159 5.614 -0.455 19627 6440 1 16 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.435 0.105 19627 6441 1 16 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.518 -0.194 19627 6442 1 16 . 1 1 42 42 TYR N N 42 126.740 126.740 120.544 6.196 19627 6443 1 16 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.990 -0.175 19627 6444 1 16 . 1 1 42 42 TYR CA C 42 56.841 56.841 57.223 -0.382 19627 6445 1 16 . 1 1 42 42 TYR CB C 42 42.293 42.293 39.806 2.487 19627 6446 1 16 . 1 1 43 43 THR N N 43 122.111 122.111 112.223 9.888 19627 6447 1 16 . 1 1 43 43 THR HA H 43 5.126 5.126 4.532 0.594 19627 6448 1 16 . 1 1 43 43 THR CA C 43 60.915 60.915 61.171 -0.256 19627 6449 1 16 . 1 1 43 43 THR CB C 43 70.667 70.667 71.817 -1.150 19627 6450 1 16 . 1 1 44 44 GLY N N 44 112.123 112.123 112.505 -0.382 19627 6451 1 16 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.729 -0.691 19627 6452 1 16 . 1 1 45 45 SER N N 45 118.181 118.181 119.431 -1.250 19627 6453 1 16 . 1 1 45 45 SER HA H 45 4.736 4.736 4.548 0.188 19627 6454 1 16 . 1 1 45 45 SER CA C 45 55.721 55.721 56.784 -1.063 19627 6455 1 16 . 1 1 45 45 SER CB C 45 64.234 64.234 63.361 0.873 19627 6456 1 16 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.568 -0.290 19627 6457 1 16 . 1 1 46 46 PRO CA C 46 64.903 64.903 63.902 1.001 19627 6458 1 16 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.278 -0.178 19627 6459 1 16 . 1 1 47 47 LEU N N 47 115.053 115.053 116.331 -1.278 19627 6460 1 16 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.489 -0.213 19627 6461 1 16 . 1 1 47 47 LEU CA C 47 54.820 54.820 55.127 -0.307 19627 6462 1 16 . 1 1 47 47 LEU CB C 47 42.497 42.497 43.756 -1.259 19627 6463 1 16 . 1 1 48 48 SER N N 48 114.930 114.930 112.928 2.002 19627 6464 1 16 . 1 1 48 48 SER HA H 48 4.418 4.418 4.649 -0.231 19627 6465 1 16 . 1 1 48 48 SER CA C 48 57.896 57.896 57.715 0.181 19627 6466 1 16 . 1 1 48 48 SER CB C 48 64.328 64.328 65.030 -0.702 19627 6467 1 16 . 1 1 49 49 ASN N N 49 121.801 121.801 121.422 0.379 19627 6468 1 16 . 1 1 49 49 ASN HA H 49 4.683 4.683 3.992 0.691 19627 6469 1 16 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.071 0.177 19627 6470 1 16 . 1 1 49 49 ASN CB C 49 39.147 39.147 36.455 2.692 19627 6471 1 16 . 1 1 50 50 GLY N N 50 108.685 108.685 109.078 -0.393 19627 6472 1 16 . 1 1 50 50 GLY CA C 50 45.049 45.049 46.009 -0.960 19627 6473 1 16 . 1 1 51 51 VAL N N 51 121.162 121.162 121.655 -0.493 19627 6474 1 16 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.434 -0.040 19627 6475 1 16 . 1 1 51 51 VAL CA C 51 59.658 59.658 58.474 1.184 19627 6476 1 16 . 1 1 51 51 VAL CB C 51 33.484 33.484 33.415 0.069 19627 6477 1 16 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.542 0.119 19627 6478 1 16 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.261 0.632 19627 6479 1 16 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.494 0.402 19627 6480 1 16 . 1 1 53 53 PHE N N 53 123.537 123.537 120.746 2.791 19627 6481 1 16 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.351 0.227 19627 6482 1 16 . 1 1 53 53 PHE CA C 53 57.762 57.762 59.451 -1.689 19627 6483 1 16 . 1 1 53 53 PHE CB C 53 40.652 40.652 40.272 0.380 19627 6484 1 16 . 1 1 54 54 ARG N N 54 124.570 124.570 120.175 4.395 19627 6485 1 16 . 1 1 54 54 ARG HA H 54 4.894 4.894 5.195 -0.301 19627 6486 1 16 . 1 1 54 54 ARG CA C 54 54.601 54.601 53.705 0.897 19627 6487 1 16 . 1 1 54 54 ARG CB C 54 33.401 33.401 32.832 0.569 19627 6488 1 16 . 1 1 55 55 GLY N N 55 107.998 107.998 109.112 -1.114 19627 6489 1 16 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.384 0.158 19627 6490 1 16 . 1 1 56 56 THR N N 56 114.021 114.021 115.242 -1.221 19627 6491 1 16 . 1 1 56 56 THR HA H 56 5.777 5.777 5.101 0.676 19627 6492 1 16 . 1 1 56 56 THR CA C 56 60.409 60.409 60.872 -0.463 19627 6493 1 16 . 1 1 56 56 THR CB C 56 72.641 72.641 71.734 0.907 19627 6494 1 16 . 1 1 57 57 TYR N N 57 115.684 115.684 124.278 -8.594 19627 6495 1 16 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.145 1.111 19627 6496 1 16 . 1 1 57 57 TYR CA C 57 55.645 55.645 56.916 -1.270 19627 6497 1 16 . 1 1 57 57 TYR CB C 57 43.352 43.352 40.532 2.821 19627 6498 1 16 . 1 1 58 58 ILE N N 58 118.048 118.048 120.280 -2.232 19627 6499 1 16 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.337 0.018 19627 6500 1 16 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.434 -0.425 19627 6501 1 16 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.449 0.476 19627 6502 1 16 . 1 1 59 59 ILE N N 59 124.887 124.887 124.736 0.151 19627 6503 1 16 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.773 0.231 19627 6504 1 16 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.641 -1.366 19627 6505 1 16 . 1 1 59 59 ILE CB C 59 40.709 40.709 40.618 0.091 19627 6506 1 16 . 1 1 60 60 SER N N 60 122.768 122.768 121.838 0.930 19627 6507 1 16 . 1 1 60 60 SER HA H 60 4.835 4.835 4.454 0.381 19627 6508 1 16 . 1 1 60 60 SER CA C 60 55.735 55.735 59.053 -3.318 19627 6509 1 16 . 1 1 60 60 SER CB C 60 63.250 63.250 64.184 -0.934 19627 6510 1 16 . 1 1 61 61 LEU N N 61 129.303 129.303 126.780 2.523 19627 6511 1 16 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.041 -0.195 19627 6512 1 16 . 1 1 61 61 LEU CA C 61 58.659 58.659 58.606 0.053 19627 6513 1 16 . 1 1 61 61 LEU CB C 61 41.962 41.962 41.145 0.817 19627 6514 1 16 . 1 1 62 62 ASP N N 62 118.454 118.454 119.787 -1.333 19627 6515 1 16 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.473 -0.170 19627 6516 1 16 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.981 0.133 19627 6517 1 16 . 1 1 62 62 ASP CB C 62 40.178 40.178 40.255 -0.077 19627 6518 1 16 . 1 1 63 63 GLU N N 63 115.083 115.083 117.047 -1.964 19627 6519 1 16 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.100 0.131 19627 6520 1 16 . 1 1 63 63 GLU CA C 63 55.915 55.915 57.386 -1.472 19627 6521 1 16 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.383 2.015 19627 6522 1 16 . 1 1 64 64 LYS N N 64 117.578 117.578 114.775 2.803 19627 6523 1 16 . 1 1 65 65 LEU N N 65 119.527 119.527 121.220 -1.693 19627 6524 1 16 . 1 1 65 65 LEU HA H 65 5.150 5.150 3.916 1.234 19627 6525 1 16 . 1 1 65 65 LEU CA C 65 53.355 53.355 55.614 -2.259 19627 6526 1 16 . 1 1 65 65 LEU CB C 65 47.627 47.627 42.116 5.511 19627 6527 1 16 . 1 1 66 66 ILE N N 66 123.527 123.527 127.291 -3.764 19627 6528 1 16 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.155 -0.152 19627 6529 1 16 . 1 1 66 66 ILE CA C 66 58.348 58.348 59.237 -0.889 19627 6530 1 16 . 1 1 66 66 ILE CB C 66 42.093 42.093 40.824 1.269 19627 6531 1 16 . 1 1 67 67 LYS N N 67 125.168 125.168 128.010 -2.842 19627 6532 1 16 . 1 1 67 67 LYS HA H 67 4.407 4.407 5.178 -0.771 19627 6533 1 16 . 1 1 67 67 LYS CA C 67 55.282 55.282 53.977 1.305 19627 6534 1 16 . 1 1 67 67 LYS CB C 67 36.248 36.248 35.399 0.849 19627 6535 1 16 . 1 1 68 68 LEU N N 68 123.218 123.218 120.076 3.142 19627 6536 1 16 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.520 0.278 19627 6537 1 16 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.609 1.221 19627 6538 1 16 . 1 1 68 68 LEU CB C 68 40.826 40.826 42.353 -1.527 19627 6539 1 16 . 1 1 69 69 TYR N N 69 119.751 119.751 121.797 -2.046 19627 6540 1 16 . 1 1 69 69 TYR HA H 69 5.424 5.424 4.770 0.654 19627 6541 1 16 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.963 -0.797 19627 6542 1 16 . 1 1 69 69 TYR CB C 69 42.319 42.319 42.009 0.310 19627 6543 1 16 . 1 1 70 70 ASP N N 70 120.335 120.335 120.900 -0.565 19627 6544 1 16 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.356 -0.314 19627 6545 1 16 . 1 1 70 70 ASP CA C 70 52.428 52.428 52.480 -0.051 19627 6546 1 16 . 1 1 70 70 ASP CB C 70 42.210 42.210 44.051 -1.841 19627 6547 1 16 . 1 1 71 71 LYS N N 71 117.975 117.975 121.056 -3.081 19627 6548 1 16 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.049 0.156 19627 6549 1 16 . 1 1 71 71 LYS CA C 71 58.189 58.189 59.693 -1.504 19627 6550 1 16 . 1 1 71 71 LYS CB C 71 32.224 32.224 32.163 0.061 19627 6551 1 16 . 1 1 72 72 GLU N N 72 119.779 119.779 116.952 2.827 19627 6552 1 16 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.287 -0.011 19627 6553 1 16 . 1 1 72 72 GLU CA C 72 55.823 55.823 55.675 0.149 19627 6554 1 16 . 1 1 72 72 GLU CB C 72 29.639 29.639 28.944 0.695 19627 6555 1 16 . 1 1 73 73 GLU N N 73 112.572 112.572 115.675 -3.103 19627 6556 1 16 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.251 -0.645 19627 6557 1 16 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.402 0.689 19627 6558 1 16 . 1 1 73 73 GLU CB C 73 26.900 26.900 28.015 -1.115 19627 6559 1 16 . 1 1 74 74 HIS N N 74 118.561 118.561 111.150 7.411 19627 6560 1 16 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.798 0.074 19627 6561 1 16 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.735 -0.244 19627 6562 1 16 . 1 1 74 74 HIS CB C 74 28.650 28.650 30.133 -1.483 19627 6563 1 16 . 1 1 75 75 CYS N N 75 126.459 126.459 117.886 8.573 19627 6564 1 16 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.732 0.318 19627 6565 1 16 . 1 1 75 75 CYS CA C 75 58.539 58.539 59.644 -1.105 19627 6566 1 16 . 1 1 75 75 CYS CB C 75 26.305 26.305 28.269 -1.964 19627 6567 1 16 . 1 1 76 76 THR N N 76 123.868 123.868 117.992 5.876 19627 6568 1 16 . 1 1 76 76 THR HA H 76 4.115 4.115 4.367 -0.252 19627 6569 1 16 . 1 1 76 76 THR CA C 76 62.701 62.701 62.061 0.640 19627 6570 1 16 . 1 1 76 76 THR CB C 76 68.451 68.451 69.953 -1.502 19627 6571 1 16 . 1 1 77 77 GLU N N 77 120.185 120.185 119.325 0.860 19627 6572 1 16 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.697 -0.522 19627 6573 1 16 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.215 -0.518 19627 6574 1 16 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.768 0.332 19627 6575 1 16 . 1 1 78 78 GLN N N 78 118.401 118.401 119.010 -0.609 19627 6576 1 16 . 1 1 78 78 GLN HA H 78 4.697 4.697 5.255 -0.558 19627 6577 1 16 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.334 -0.401 19627 6578 1 16 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.163 -0.321 19627 6579 1 16 . 1 1 79 79 TYR N N 79 116.069 116.069 123.512 -7.443 19627 6580 1 16 . 1 1 79 79 TYR HA H 79 4.850 4.850 5.130 -0.280 19627 6581 1 16 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.120 -0.121 19627 6582 1 16 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.537 0.276 19627 6583 1 16 . 1 1 80 80 HIS N N 80 119.747 119.747 120.084 -0.337 19627 6584 1 16 . 1 1 80 80 HIS HA H 80 5.173 5.173 3.825 1.348 19627 6585 1 16 . 1 1 80 80 HIS CA C 80 55.121 55.121 57.689 -2.568 19627 6586 1 16 . 1 1 80 80 HIS CB C 80 29.720 29.720 30.321 -0.601 19627 6587 1 16 . 1 1 81 81 ILE N N 81 126.268 126.268 117.754 8.514 19627 6588 1 16 . 1 1 81 81 ILE HA H 81 4.220 4.220 4.047 0.173 19627 6589 1 16 . 1 1 81 81 ILE CA C 81 61.739 61.739 60.626 1.113 19627 6590 1 16 . 1 1 81 81 ILE CB C 81 38.354 38.354 39.694 -1.340 19627 6591 1 16 . 1 1 82 82 LEU N N 82 127.552 127.552 128.356 -0.804 19627 6592 1 16 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.540 -0.446 19627 6593 1 16 . 1 1 82 82 LEU CA C 82 55.392 55.392 56.578 -1.186 19627 6594 1 16 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.899 0.216 19627 6595 1 16 . 1 1 83 83 LYS N N 83 115.809 115.809 116.690 -0.881 19627 6596 1 16 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.652 -0.452 19627 6597 1 16 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.320 0.373 19627 6598 1 16 . 1 1 83 83 LYS CB C 83 36.922 36.922 37.069 -0.147 19627 6599 1 16 . 1 1 84 84 LEU N N 84 129.953 129.953 123.683 6.270 19627 6600 1 16 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.123 -0.289 19627 6601 1 16 . 1 1 84 84 LEU CA C 84 53.614 53.614 54.450 -0.836 19627 6602 1 16 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.657 -1.890 19627 6603 1 16 . 1 1 85 85 THR N N 85 119.648 119.648 114.188 5.460 19627 6604 1 16 . 1 1 85 85 THR HA H 85 4.897 4.897 4.892 0.005 19627 6605 1 16 . 1 1 85 85 THR CA C 85 58.717 58.717 60.309 -1.592 19627 6606 1 16 . 1 1 85 85 THR CB C 85 72.356 72.356 70.997 1.359 19627 6607 1 16 . 1 1 86 86 SER N N 86 108.790 108.790 114.370 -5.580 19627 6608 1 16 . 1 1 86 86 SER HA H 86 4.165 4.165 4.332 -0.167 19627 6609 1 16 . 1 1 86 86 SER CA C 86 60.370 60.370 60.666 -0.296 19627 6610 1 16 . 1 1 86 86 SER CB C 86 63.258 63.258 63.117 0.141 19627 6611 1 16 . 1 1 87 87 LYS N N 87 116.161 116.161 114.092 2.069 19627 6612 1 16 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.402 0.112 19627 6613 1 16 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.206 0.273 19627 6614 1 16 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.412 1.952 19627 6615 1 16 . 1 1 88 88 GLU N N 88 119.485 119.485 120.222 -0.737 19627 6616 1 16 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.817 0.646 19627 6617 1 16 . 1 1 88 88 GLU CA C 88 55.595 55.595 56.452 -0.857 19627 6618 1 16 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.797 1.804 19627 6619 1 16 . 1 1 89 89 MET N N 89 122.595 122.595 125.846 -3.251 19627 6620 1 16 . 1 1 89 89 MET HA H 89 4.940 4.940 5.162 -0.222 19627 6621 1 16 . 1 1 89 89 MET CA C 89 53.785 53.785 54.744 -0.959 19627 6622 1 16 . 1 1 89 89 MET CB C 89 36.210 36.210 37.482 -1.272 19627 6623 1 16 . 1 1 90 90 LYS N N 90 124.449 124.449 124.782 -0.333 19627 6624 1 16 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.842 -0.047 19627 6625 1 16 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.718 -0.365 19627 6626 1 16 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.925 2.838 19627 6627 1 16 . 1 1 91 91 TRP N N 91 125.457 125.457 125.591 -0.134 19627 6628 1 16 . 1 1 91 91 TRP HA H 91 5.514 5.514 3.559 1.955 19627 6629 1 16 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.807 -3.297 19627 6630 1 16 . 1 1 91 91 TRP CB C 91 34.752 34.752 29.686 5.066 19627 6631 1 16 . 1 1 92 92 GLU N N 92 123.111 123.111 126.061 -2.950 19627 6632 1 16 . 1 1 92 92 GLU HA H 92 4.875 4.875 3.945 0.930 19627 6633 1 16 . 1 1 92 92 GLU C C 92 176.109 176.109 176.253 -0.144 19627 6634 1 16 . 1 1 92 92 GLU CA C 92 53.610 53.610 57.402 -3.792 19627 6635 1 16 . 1 1 92 92 GLU CB C 92 33.384 33.384 31.074 2.310 19627 6636 1 16 . 1 1 93 93 ASN N N 93 126.757 126.757 116.708 10.049 19627 6637 1 16 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.689 -0.286 19627 6638 1 16 . 1 1 93 93 ASN CA C 93 54.992 54.992 55.519 -0.527 19627 6639 1 16 . 1 1 93 93 ASN CB C 93 37.603 37.603 39.131 -1.528 19627 6640 1 16 . 1 1 94 94 ALA N N 94 130.509 130.509 121.654 8.855 19627 6641 1 16 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.017 0.188 19627 6642 1 16 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.096 -2.034 19627 6643 1 16 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.311 1.699 19627 6644 1 16 . 1 1 95 95 SER N N 95 114.601 114.601 113.508 1.093 19627 6645 1 16 . 1 1 95 95 SER HA H 95 4.545 4.545 4.877 -0.332 19627 6646 1 16 . 1 1 95 95 SER CA C 95 54.544 54.544 54.617 -0.073 19627 6647 1 16 . 1 1 95 95 SER CB C 95 63.081 63.081 64.006 -0.925 19627 6648 1 16 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.418 -0.114 19627 6649 1 16 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.360 0.229 19627 6650 1 16 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.995 0.263 19627 6651 1 16 . 1 1 97 97 LYS N N 97 118.117 118.117 117.413 0.704 19627 6652 1 16 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.218 -0.070 19627 6653 1 16 . 1 1 97 97 LYS CA C 97 57.447 57.447 57.835 -0.388 19627 6654 1 16 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.946 0.045 19627 6655 1 16 . 1 1 98 98 ASP N N 98 119.820 119.820 118.715 1.105 19627 6656 1 16 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.596 -0.271 19627 6657 1 16 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.804 -0.206 19627 6658 1 16 . 1 1 98 98 ASP CB C 98 40.782 40.782 42.259 -1.477 19627 6659 1 16 . 1 1 99 99 GLY N N 99 107.593 107.593 108.051 -0.458 19627 6660 1 16 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.925 0.711 19627 6661 1 16 . 1 1 100 100 ASN N N 100 119.859 119.859 121.370 -1.511 19627 6662 1 16 . 1 1 100 100 ASN HA H 100 4.720 4.720 5.037 -0.317 19627 6663 1 16 . 1 1 100 100 ASN C C 100 175.832 175.832 174.102 1.730 19627 6664 1 16 . 1 1 100 100 ASN CA C 100 53.853 53.853 51.959 1.895 19627 6665 1 16 . 1 1 100 100 ASN CB C 100 38.772 38.772 42.325 -3.553 19627 6666 1 16 . 1 1 101 101 SER N N 101 117.380 117.380 114.523 2.857 19627 6667 1 16 . 1 1 101 101 SER HA H 101 4.533 4.533 4.797 -0.264 19627 6668 1 16 . 1 1 101 101 SER C C 101 175.075 175.075 173.757 1.318 19627 6669 1 16 . 1 1 101 101 SER CA C 101 57.658 57.658 56.901 0.757 19627 6670 1 16 . 1 1 101 101 SER CB C 101 64.927 64.927 64.943 -0.016 19627 6671 1 16 . 1 1 102 102 ASP N N 102 123.193 123.193 117.182 6.011 19627 6672 1 16 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.062 -0.456 19627 6673 1 16 . 1 1 102 102 ASP C C 102 177.297 177.297 175.631 1.666 19627 6674 1 16 . 1 1 102 102 ASP CA C 102 55.558 55.558 52.798 2.760 19627 6675 1 16 . 1 1 102 102 ASP CB C 102 40.668 40.668 41.208 -0.540 19627 6676 1 16 . 1 1 103 103 LYS N N 103 117.188 117.188 119.754 -2.566 19627 6677 1 16 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.915 0.482 19627 6678 1 16 . 1 1 103 103 LYS CA C 103 55.561 55.561 54.642 0.919 19627 6679 1 16 . 1 1 103 103 LYS CB C 103 39.951 39.951 34.835 5.116 19627 6680 1 16 . 1 1 104 104 ARG N N 104 122.088 122.088 117.279 4.809 19627 6681 1 16 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.864 -0.056 19627 6682 1 16 . 1 1 104 104 ARG C C 104 174.517 174.517 175.149 -0.632 19627 6683 1 16 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.736 0.948 19627 6684 1 16 . 1 1 104 104 ARG CB C 104 33.949 33.949 33.782 0.167 19627 6685 1 16 . 1 1 105 105 LEU N N 105 126.226 126.226 122.566 3.660 19627 6686 1 16 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.971 0.518 19627 6687 1 16 . 1 1 105 105 LEU CA C 105 55.142 55.142 53.648 1.494 19627 6688 1 16 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.705 3.147 19627 6689 1 16 . 1 1 106 106 GLU N N 106 120.408 120.408 124.868 -4.460 19627 6690 1 16 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.583 0.762 19627 6691 1 16 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.078 -0.829 19627 6692 1 16 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.472 5.080 19627 6693 1 16 . 1 1 107 107 LYS N N 107 127.864 127.864 117.869 9.995 19627 6694 1 16 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.439 0.035 19627 6695 1 16 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.678 -0.774 19627 6696 1 16 . 1 1 107 107 LYS CB C 107 32.373 32.373 31.651 0.722 19627 6697 1 16 . 1 1 108 108 TYR N N 108 127.870 127.870 120.884 6.986 19627 6698 1 16 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.647 -0.206 19627 6699 1 16 . 1 1 108 108 TYR CA C 108 57.519 57.519 55.897 1.622 19627 6700 1 16 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.061 2.062 19627 6701 1 16 . 1 1 109 109 ASN N N 109 123.534 123.534 126.707 -3.173 19627 6702 1 16 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.474 0.102 19627 6703 1 16 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.458 -0.438 19627 6704 1 16 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.561 3.035 19627 6705 1 17 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.710 -0.190 19627 6706 1 17 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.052 1.154 19627 6707 1 17 . 1 1 2 2 ASP CB C 2 41.225 41.225 42.410 -1.185 19627 6708 1 17 . 1 1 3 3 GLU N N 3 119.869 119.869 121.534 -1.665 19627 6709 1 17 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.115 0.084 19627 6710 1 17 . 1 1 3 3 GLU CA C 3 57.029 57.029 57.063 -0.034 19627 6711 1 17 . 1 1 3 3 GLU CB C 3 29.820 29.820 28.889 0.931 19627 6712 1 17 . 1 1 4 4 ASP N N 4 119.650 119.650 116.935 2.715 19627 6713 1 17 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.570 -0.130 19627 6714 1 17 . 1 1 4 4 ASP CA C 4 55.118 55.118 53.968 1.150 19627 6715 1 17 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.468 -0.223 19627 6716 1 17 . 1 1 5 5 ASP N N 5 119.339 119.339 119.321 0.018 19627 6717 1 17 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.858 -0.228 19627 6718 1 17 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.506 0.255 19627 6719 1 17 . 1 1 5 5 ASP CB C 5 40.866 40.866 41.955 -1.089 19627 6720 1 17 . 1 1 6 6 LYS N N 6 121.265 121.265 118.481 2.784 19627 6721 1 17 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.534 -0.317 19627 6722 1 17 . 1 1 6 6 LYS CA C 6 56.109 56.109 54.927 1.182 19627 6723 1 17 . 1 1 6 6 LYS CB C 6 33.916 33.916 35.365 -1.449 19627 6724 1 17 . 1 1 7 7 VAL N N 7 122.743 122.743 123.054 -0.311 19627 6725 1 17 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.009 0.042 19627 6726 1 17 . 1 1 7 7 VAL CA C 7 62.504 62.504 63.169 -0.665 19627 6727 1 17 . 1 1 7 7 VAL CB C 7 33.738 33.738 31.401 2.337 19627 6728 1 17 . 1 1 8 8 GLU N N 8 129.254 129.254 127.760 1.494 19627 6729 1 17 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.502 0.102 19627 6730 1 17 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.948 -1.865 19627 6731 1 17 . 1 1 8 8 GLU CB C 8 30.047 30.047 30.849 -0.802 19627 6732 1 17 . 1 1 9 9 ILE N N 9 123.662 123.662 122.874 0.788 19627 6733 1 17 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.229 -0.410 19627 6734 1 17 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.441 -1.015 19627 6735 1 17 . 1 1 9 9 ILE CB C 9 34.840 34.840 36.491 -1.651 19627 6736 1 17 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.335 0.003 19627 6737 1 17 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.929 0.857 19627 6738 1 17 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.326 0.533 19627 6739 1 17 . 1 1 11 11 GLN N N 11 112.602 112.602 118.565 -5.963 19627 6740 1 17 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.208 0.014 19627 6741 1 17 . 1 1 11 11 GLN C C 11 176.461 176.461 178.160 -1.699 19627 6742 1 17 . 1 1 11 11 GLN CA C 11 55.805 55.805 58.265 -2.460 19627 6743 1 17 . 1 1 11 11 GLN CB C 11 27.861 27.861 27.939 -0.078 19627 6744 1 17 . 1 1 12 12 LEU N N 12 119.555 119.555 121.668 -2.113 19627 6745 1 17 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.050 -0.142 19627 6746 1 17 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.719 0.396 19627 6747 1 17 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.897 1.406 19627 6748 1 17 . 1 1 13 13 VAL N N 13 112.720 112.720 116.023 -3.303 19627 6749 1 17 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.200 -0.448 19627 6750 1 17 . 1 1 13 13 VAL CA C 13 64.717 64.717 63.950 0.767 19627 6751 1 17 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.610 1.419 19627 6752 1 17 . 1 1 14 14 GLY N N 14 116.042 116.042 108.441 7.601 19627 6753 1 17 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.624 -0.873 19627 6754 1 17 . 1 1 15 15 LYS N N 15 120.788 120.788 119.185 1.603 19627 6755 1 17 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.822 0.363 19627 6756 1 17 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.508 -0.711 19627 6757 1 17 . 1 1 15 15 LYS CB C 15 35.159 35.159 33.913 1.246 19627 6758 1 17 . 1 1 16 16 TRP N N 16 123.983 123.983 121.830 2.153 19627 6759 1 17 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.872 0.043 19627 6760 1 17 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.529 -0.729 19627 6761 1 17 . 1 1 16 16 TRP CB C 16 34.179 34.179 32.578 1.601 19627 6762 1 17 . 1 1 17 17 ILE N N 17 122.229 122.229 124.382 -2.153 19627 6763 1 17 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.490 0.402 19627 6764 1 17 . 1 1 17 17 ILE CA C 17 58.782 58.782 59.884 -1.102 19627 6765 1 17 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.204 0.380 19627 6766 1 17 . 1 1 18 18 VAL N N 18 126.326 126.326 127.565 -1.239 19627 6767 1 17 . 1 1 18 18 VAL HA H 18 3.841 3.841 3.835 0.006 19627 6768 1 17 . 1 1 18 18 VAL CA C 18 64.643 64.643 63.191 1.452 19627 6769 1 17 . 1 1 18 18 VAL CB C 18 31.568 31.568 30.211 1.357 19627 6770 1 17 . 1 1 19 19 LYS N N 19 129.061 129.061 121.929 7.132 19627 6771 1 17 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.165 0.291 19627 6772 1 17 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.346 -1.821 19627 6773 1 17 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.646 2.527 19627 6774 1 17 . 1 1 20 20 GLU N N 20 118.305 118.305 120.754 -2.449 19627 6775 1 17 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.630 -0.240 19627 6776 1 17 . 1 1 20 20 GLU CA C 20 54.118 54.118 54.118 0.000 19627 6777 1 17 . 1 1 20 20 GLU CB C 20 33.513 33.513 32.480 1.033 19627 6778 1 17 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.447 0.160 19627 6779 1 17 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.671 -0.041 19627 6780 1 17 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.499 2.291 19627 6781 1 17 . 1 1 22 22 VAL N N 22 119.998 119.998 118.957 1.041 19627 6782 1 17 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.909 0.108 19627 6783 1 17 . 1 1 22 22 VAL CA C 22 62.374 62.374 63.442 -1.068 19627 6784 1 17 . 1 1 22 22 VAL CB C 22 32.937 32.937 31.906 1.031 19627 6785 1 17 . 1 1 23 23 LEU N N 23 128.343 128.343 123.949 4.394 19627 6786 1 17 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.470 -0.023 19627 6787 1 17 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.594 -0.404 19627 6788 1 17 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.424 0.404 19627 6789 1 17 . 1 1 24 24 GLN N N 24 117.971 117.971 116.800 1.171 19627 6790 1 17 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.461 -0.201 19627 6791 1 17 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.102 0.496 19627 6792 1 17 . 1 1 24 24 GLN CB C 24 30.104 30.104 30.462 -0.358 19627 6793 1 17 . 1 1 25 25 ASP N N 25 117.501 117.501 118.477 -0.976 19627 6794 1 17 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.366 -0.160 19627 6795 1 17 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.568 0.201 19627 6796 1 17 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.439 -0.477 19627 6797 1 17 . 1 1 26 26 ASP N N 26 112.782 112.782 114.492 -1.710 19627 6798 1 17 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.276 0.059 19627 6799 1 17 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.214 -0.055 19627 6800 1 17 . 1 1 26 26 ASP CB C 26 39.737 39.737 40.461 -0.724 19627 6801 1 17 . 1 1 27 27 PHE N N 27 118.623 118.623 120.026 -1.403 19627 6802 1 17 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.292 0.135 19627 6803 1 17 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.642 -1.631 19627 6804 1 17 . 1 1 27 27 PHE CB C 27 40.533 40.533 38.994 1.539 19627 6805 1 17 . 1 1 28 28 VAL N N 28 119.117 119.117 120.255 -1.138 19627 6806 1 17 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.537 -0.037 19627 6807 1 17 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.692 0.208 19627 6808 1 17 . 1 1 28 28 VAL CB C 28 36.175 36.175 33.513 2.662 19627 6809 1 17 . 1 1 29 29 THR N N 29 124.304 124.304 116.364 7.940 19627 6810 1 17 . 1 1 29 29 THR HA H 29 5.212 5.212 5.622 -0.410 19627 6811 1 17 . 1 1 29 29 THR CA C 29 62.051 62.051 61.632 0.419 19627 6812 1 17 . 1 1 29 29 THR CB C 29 70.541 70.541 71.406 -0.865 19627 6813 1 17 . 1 1 30 30 CYS N N 30 123.969 123.969 120.753 3.216 19627 6814 1 17 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.477 0.104 19627 6815 1 17 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.568 -0.502 19627 6816 1 17 . 1 1 30 30 CYS CB C 30 31.010 31.010 30.938 0.072 19627 6817 1 17 . 1 1 31 31 TYR N N 31 125.131 125.131 123.303 1.828 19627 6818 1 17 . 1 1 31 31 TYR HA H 31 5.165 5.165 5.086 0.079 19627 6819 1 17 . 1 1 31 31 TYR CA C 31 57.270 57.270 55.011 2.259 19627 6820 1 17 . 1 1 31 31 TYR CB C 31 43.631 43.631 41.401 2.230 19627 6821 1 17 . 1 1 32 32 THR N N 32 118.682 118.682 116.898 1.784 19627 6822 1 17 . 1 1 32 32 THR HA H 32 5.122 5.122 5.235 -0.113 19627 6823 1 17 . 1 1 32 32 THR CA C 32 61.828 61.828 61.389 0.439 19627 6824 1 17 . 1 1 32 32 THR CB C 32 70.848 70.848 71.865 -1.018 19627 6825 1 17 . 1 1 33 33 PHE N N 33 123.161 123.161 122.656 0.505 19627 6826 1 17 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.980 -0.136 19627 6827 1 17 . 1 1 33 33 PHE CA C 33 57.983 57.983 56.571 1.412 19627 6828 1 17 . 1 1 33 33 PHE CB C 33 40.905 40.905 40.866 0.039 19627 6829 1 17 . 1 1 34 34 ASN N N 34 119.699 119.699 122.336 -2.637 19627 6830 1 17 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.770 0.585 19627 6831 1 17 . 1 1 34 34 ASN CA C 34 52.483 52.483 53.565 -1.082 19627 6832 1 17 . 1 1 34 34 ASN CB C 34 41.443 41.443 39.665 1.778 19627 6833 1 17 . 1 1 35 35 ALA N N 35 128.044 128.044 123.857 4.187 19627 6834 1 17 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.331 -0.164 19627 6835 1 17 . 1 1 35 35 ALA CA C 35 54.814 54.814 53.739 1.075 19627 6836 1 17 . 1 1 35 35 ALA CB C 35 18.405 18.405 17.698 0.707 19627 6837 1 17 . 1 1 36 36 ASP N N 36 116.944 116.944 118.714 -1.770 19627 6838 1 17 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.764 -0.327 19627 6839 1 17 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.902 -1.507 19627 6840 1 17 . 1 1 36 36 ASP CB C 36 39.512 39.512 42.780 -3.268 19627 6841 1 17 . 1 1 37 37 LYS N N 37 108.202 108.202 114.190 -5.988 19627 6842 1 17 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.111 -0.847 19627 6843 1 17 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.392 1.682 19627 6844 1 17 . 1 1 37 37 LYS CB C 37 27.597 27.597 32.750 -5.153 19627 6845 1 17 . 1 1 38 38 THR N N 38 107.877 107.877 113.750 -5.873 19627 6846 1 17 . 1 1 38 38 THR HA H 38 5.403 5.403 4.998 0.405 19627 6847 1 17 . 1 1 38 38 THR CA C 38 61.011 61.011 61.792 -0.781 19627 6848 1 17 . 1 1 38 38 THR CB C 38 72.829 72.829 70.470 2.359 19627 6849 1 17 . 1 1 39 39 TYR N N 39 117.837 117.837 116.930 0.907 19627 6850 1 17 . 1 1 39 39 TYR HA H 39 5.714 5.714 4.993 0.721 19627 6851 1 17 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.574 0.168 19627 6852 1 17 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.078 2.501 19627 6853 1 17 . 1 1 40 40 GLU N N 40 118.677 118.677 119.631 -0.954 19627 6854 1 17 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.142 0.111 19627 6855 1 17 . 1 1 40 40 GLU CA C 40 54.059 54.059 55.985 -1.926 19627 6856 1 17 . 1 1 40 40 GLU CB C 40 34.955 34.955 33.236 1.719 19627 6857 1 17 . 1 1 41 41 VAL N N 41 121.838 121.838 119.059 2.779 19627 6858 1 17 . 1 1 41 41 VAL HA H 41 5.159 5.159 5.455 -0.296 19627 6859 1 17 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.379 0.161 19627 6860 1 17 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.619 -0.295 19627 6861 1 17 . 1 1 42 42 TYR N N 42 126.740 126.740 122.278 4.462 19627 6862 1 17 . 1 1 42 42 TYR HA H 42 4.815 4.815 5.057 -0.242 19627 6863 1 17 . 1 1 42 42 TYR CA C 42 56.841 56.841 57.835 -0.994 19627 6864 1 17 . 1 1 42 42 TYR CB C 42 42.293 42.293 41.389 0.904 19627 6865 1 17 . 1 1 43 43 THR N N 43 122.111 122.111 123.301 -1.190 19627 6866 1 17 . 1 1 43 43 THR HA H 43 5.126 5.126 5.262 -0.136 19627 6867 1 17 . 1 1 43 43 THR CA C 43 60.915 60.915 61.417 -0.502 19627 6868 1 17 . 1 1 43 43 THR CB C 43 70.667 70.667 70.808 -0.141 19627 6869 1 17 . 1 1 44 44 GLY N N 44 112.123 112.123 112.678 -0.555 19627 6870 1 17 . 1 1 44 44 GLY CA C 44 45.038 45.038 44.917 0.120 19627 6871 1 17 . 1 1 45 45 SER N N 45 118.181 118.181 118.848 -0.667 19627 6872 1 17 . 1 1 45 45 SER HA H 45 4.736 4.736 4.915 -0.179 19627 6873 1 17 . 1 1 45 45 SER CA C 45 55.721 55.721 54.634 1.087 19627 6874 1 17 . 1 1 45 45 SER CB C 45 64.234 64.234 63.442 0.792 19627 6875 1 17 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.319 -0.041 19627 6876 1 17 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.560 0.343 19627 6877 1 17 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.398 -0.298 19627 6878 1 17 . 1 1 47 47 LEU N N 47 115.053 115.053 117.408 -2.355 19627 6879 1 17 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.506 -0.230 19627 6880 1 17 . 1 1 47 47 LEU CA C 47 54.820 54.820 54.852 -0.032 19627 6881 1 17 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.897 -0.400 19627 6882 1 17 . 1 1 48 48 SER N N 48 114.930 114.930 113.599 1.331 19627 6883 1 17 . 1 1 48 48 SER HA H 48 4.418 4.418 4.911 -0.493 19627 6884 1 17 . 1 1 48 48 SER CA C 48 57.896 57.896 57.666 0.230 19627 6885 1 17 . 1 1 48 48 SER CB C 48 64.328 64.328 65.008 -0.680 19627 6886 1 17 . 1 1 49 49 ASN N N 49 121.801 121.801 121.701 0.100 19627 6887 1 17 . 1 1 49 49 ASN HA H 49 4.683 4.683 5.121 -0.438 19627 6888 1 17 . 1 1 49 49 ASN CA C 49 53.247 53.247 54.122 -0.875 19627 6889 1 17 . 1 1 49 49 ASN CB C 49 39.147 39.147 40.432 -1.285 19627 6890 1 17 . 1 1 50 50 GLY N N 50 108.685 108.685 108.782 -0.097 19627 6891 1 17 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.761 -0.712 19627 6892 1 17 . 1 1 51 51 VAL N N 51 121.162 121.162 120.951 0.211 19627 6893 1 17 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.466 -0.072 19627 6894 1 17 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.057 0.601 19627 6895 1 17 . 1 1 51 51 VAL CB C 51 33.484 33.484 33.332 0.152 19627 6896 1 17 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.825 -0.164 19627 6897 1 17 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.190 0.703 19627 6898 1 17 . 1 1 52 52 PRO CB C 52 32.896 32.896 31.968 0.928 19627 6899 1 17 . 1 1 53 53 PHE N N 53 123.537 123.537 127.291 -3.754 19627 6900 1 17 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.222 0.356 19627 6901 1 17 . 1 1 53 53 PHE CA C 53 57.762 57.762 58.346 -0.584 19627 6902 1 17 . 1 1 53 53 PHE CB C 53 40.652 40.652 40.424 0.228 19627 6903 1 17 . 1 1 54 54 ARG N N 54 124.570 124.570 127.120 -2.550 19627 6904 1 17 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.482 0.412 19627 6905 1 17 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.357 0.244 19627 6906 1 17 . 1 1 54 54 ARG CB C 54 33.401 33.401 31.332 2.069 19627 6907 1 17 . 1 1 55 55 GLY N N 55 107.998 107.998 109.013 -1.015 19627 6908 1 17 . 1 1 55 55 GLY CA C 55 45.542 45.542 43.133 2.409 19627 6909 1 17 . 1 1 56 56 THR N N 56 114.021 114.021 113.967 0.054 19627 6910 1 17 . 1 1 56 56 THR HA H 56 5.777 5.777 5.239 0.538 19627 6911 1 17 . 1 1 56 56 THR CA C 56 60.409 60.409 60.518 -0.109 19627 6912 1 17 . 1 1 56 56 THR CB C 56 72.641 72.641 70.684 1.957 19627 6913 1 17 . 1 1 57 57 TYR N N 57 115.684 115.684 125.521 -9.837 19627 6914 1 17 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.523 0.733 19627 6915 1 17 . 1 1 57 57 TYR CA C 57 55.645 55.645 56.029 -0.383 19627 6916 1 17 . 1 1 57 57 TYR CB C 57 43.352 43.352 40.557 2.795 19627 6917 1 17 . 1 1 58 58 ILE N N 58 118.048 118.048 124.055 -6.007 19627 6918 1 17 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.359 -0.004 19627 6919 1 17 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.632 -0.623 19627 6920 1 17 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.063 0.862 19627 6921 1 17 . 1 1 59 59 ILE N N 59 124.887 124.887 125.404 -0.517 19627 6922 1 17 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.931 0.073 19627 6923 1 17 . 1 1 59 59 ILE CA C 59 58.275 58.275 58.620 -0.345 19627 6924 1 17 . 1 1 59 59 ILE CB C 59 40.709 40.709 38.334 2.376 19627 6925 1 17 . 1 1 60 60 SER N N 60 122.768 122.768 122.638 0.130 19627 6926 1 17 . 1 1 60 60 SER HA H 60 4.835 4.835 4.652 0.183 19627 6927 1 17 . 1 1 60 60 SER CA C 60 55.735 55.735 57.915 -2.180 19627 6928 1 17 . 1 1 60 60 SER CB C 60 63.250 63.250 64.400 -1.150 19627 6929 1 17 . 1 1 61 61 LEU N N 61 129.303 129.303 122.674 6.629 19627 6930 1 17 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.224 -0.378 19627 6931 1 17 . 1 1 61 61 LEU CA C 61 58.659 58.659 57.300 1.359 19627 6932 1 17 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.000 -0.038 19627 6933 1 17 . 1 1 62 62 ASP N N 62 118.454 118.454 117.735 0.719 19627 6934 1 17 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.708 -0.405 19627 6935 1 17 . 1 1 62 62 ASP CA C 62 57.114 57.114 54.721 2.393 19627 6936 1 17 . 1 1 62 62 ASP CB C 62 40.178 40.178 40.922 -0.744 19627 6937 1 17 . 1 1 63 63 GLU N N 63 115.083 115.083 122.173 -7.090 19627 6938 1 17 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.242 -0.011 19627 6939 1 17 . 1 1 63 63 GLU CA C 63 55.915 55.915 56.551 -0.636 19627 6940 1 17 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.913 1.484 19627 6941 1 17 . 1 1 64 64 LYS N N 64 117.578 117.578 127.331 -9.753 19627 6942 1 17 . 1 1 65 65 LEU N N 65 119.527 119.527 125.244 -5.717 19627 6943 1 17 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.542 0.608 19627 6944 1 17 . 1 1 65 65 LEU CA C 65 53.355 53.355 54.130 -0.775 19627 6945 1 17 . 1 1 65 65 LEU CB C 65 47.627 47.627 46.599 1.028 19627 6946 1 17 . 1 1 66 66 ILE N N 66 123.527 123.527 122.014 1.513 19627 6947 1 17 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.148 -0.145 19627 6948 1 17 . 1 1 66 66 ILE CA C 66 58.348 58.348 58.789 -0.441 19627 6949 1 17 . 1 1 66 66 ILE CB C 66 42.093 42.093 41.578 0.515 19627 6950 1 17 . 1 1 67 67 LYS N N 67 125.168 125.168 126.633 -1.465 19627 6951 1 17 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.938 -0.531 19627 6952 1 17 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.165 1.117 19627 6953 1 17 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.582 -0.334 19627 6954 1 17 . 1 1 68 68 LEU N N 68 123.218 123.218 120.789 2.429 19627 6955 1 17 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.942 -0.144 19627 6956 1 17 . 1 1 68 68 LEU CA C 68 54.830 54.830 54.061 0.769 19627 6957 1 17 . 1 1 68 68 LEU CB C 68 40.826 40.826 45.166 -4.340 19627 6958 1 17 . 1 1 69 69 TYR N N 69 119.751 119.751 123.144 -3.393 19627 6959 1 17 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.243 0.181 19627 6960 1 17 . 1 1 69 69 TYR CA C 69 57.166 57.166 56.612 0.554 19627 6961 1 17 . 1 1 69 69 TYR CB C 69 42.319 42.319 40.482 1.837 19627 6962 1 17 . 1 1 70 70 ASP N N 70 120.335 120.335 124.582 -4.247 19627 6963 1 17 . 1 1 70 70 ASP HA H 70 5.042 5.042 4.954 0.088 19627 6964 1 17 . 1 1 70 70 ASP CA C 70 52.428 52.428 54.605 -2.177 19627 6965 1 17 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.200 0.010 19627 6966 1 17 . 1 1 71 71 LYS N N 71 117.975 117.975 119.654 -1.679 19627 6967 1 17 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.106 0.099 19627 6968 1 17 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.376 -0.187 19627 6969 1 17 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.721 0.502 19627 6970 1 17 . 1 1 72 72 GLU N N 72 119.779 119.779 118.279 1.500 19627 6971 1 17 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.465 -0.189 19627 6972 1 17 . 1 1 72 72 GLU CA C 72 55.823 55.823 55.749 0.074 19627 6973 1 17 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.011 0.628 19627 6974 1 17 . 1 1 73 73 GLU N N 73 112.572 112.572 115.937 -3.365 19627 6975 1 17 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.083 -0.477 19627 6976 1 17 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.863 0.228 19627 6977 1 17 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.064 -0.164 19627 6978 1 17 . 1 1 74 74 HIS N N 74 118.561 118.561 113.401 5.160 19627 6979 1 17 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.890 -0.018 19627 6980 1 17 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.018 0.473 19627 6981 1 17 . 1 1 74 74 HIS CB C 74 28.650 28.650 31.061 -2.411 19627 6982 1 17 . 1 1 75 75 CYS N N 75 126.459 126.459 122.210 4.249 19627 6983 1 17 . 1 1 75 75 CYS HA H 75 4.050 4.050 4.436 -0.386 19627 6984 1 17 . 1 1 75 75 CYS CA C 75 58.539 58.539 58.127 0.412 19627 6985 1 17 . 1 1 75 75 CYS CB C 75 26.305 26.305 28.503 -2.198 19627 6986 1 17 . 1 1 76 76 THR N N 76 123.868 123.868 118.495 5.373 19627 6987 1 17 . 1 1 76 76 THR HA H 76 4.115 4.115 4.433 -0.318 19627 6988 1 17 . 1 1 76 76 THR CA C 76 62.701 62.701 62.833 -0.132 19627 6989 1 17 . 1 1 76 76 THR CB C 76 68.451 68.451 69.397 -0.946 19627 6990 1 17 . 1 1 77 77 GLU N N 77 120.185 120.185 119.411 0.774 19627 6991 1 17 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.527 -0.352 19627 6992 1 17 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.762 -1.065 19627 6993 1 17 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.801 0.299 19627 6994 1 17 . 1 1 78 78 GLN N N 78 118.401 118.401 119.334 -0.933 19627 6995 1 17 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.908 -0.211 19627 6996 1 17 . 1 1 78 78 GLN CA C 78 53.933 53.933 53.540 0.393 19627 6997 1 17 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.542 -0.700 19627 6998 1 17 . 1 1 79 79 TYR N N 79 116.069 116.069 112.791 3.278 19627 6999 1 17 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.903 -0.053 19627 7000 1 17 . 1 1 79 79 TYR CA C 79 55.999 55.999 55.116 0.883 19627 7001 1 17 . 1 1 79 79 TYR CB C 79 41.813 41.813 39.382 2.432 19627 7002 1 17 . 1 1 80 80 HIS N N 80 119.747 119.747 120.535 -0.788 19627 7003 1 17 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.578 0.595 19627 7004 1 17 . 1 1 80 80 HIS CA C 80 55.121 55.121 57.012 -1.891 19627 7005 1 17 . 1 1 80 80 HIS CB C 80 29.720 29.720 30.505 -0.785 19627 7006 1 17 . 1 1 81 81 ILE N N 81 126.268 126.268 127.816 -1.548 19627 7007 1 17 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.536 0.684 19627 7008 1 17 . 1 1 81 81 ILE CA C 81 61.739 61.739 62.700 -0.961 19627 7009 1 17 . 1 1 81 81 ILE CB C 81 38.354 38.354 36.372 1.982 19627 7010 1 17 . 1 1 82 82 LEU N N 82 127.552 127.552 128.968 -1.416 19627 7011 1 17 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.291 -0.197 19627 7012 1 17 . 1 1 82 82 LEU CA C 82 55.392 55.392 56.871 -1.479 19627 7013 1 17 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.583 0.532 19627 7014 1 17 . 1 1 83 83 LYS N N 83 115.809 115.809 115.200 0.609 19627 7015 1 17 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.700 -0.500 19627 7016 1 17 . 1 1 83 83 LYS CA C 83 55.693 55.693 54.305 1.388 19627 7017 1 17 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.314 0.608 19627 7018 1 17 . 1 1 84 84 LEU N N 84 129.953 129.953 121.823 8.130 19627 7019 1 17 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.175 -0.341 19627 7020 1 17 . 1 1 84 84 LEU CA C 84 53.614 53.614 54.614 -1.000 19627 7021 1 17 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.822 -2.055 19627 7022 1 17 . 1 1 85 85 THR N N 85 119.648 119.648 114.860 4.788 19627 7023 1 17 . 1 1 85 85 THR HA H 85 4.897 4.897 4.887 0.010 19627 7024 1 17 . 1 1 85 85 THR CA C 85 58.717 58.717 59.722 -1.006 19627 7025 1 17 . 1 1 85 85 THR CB C 85 72.356 72.356 71.640 0.716 19627 7026 1 17 . 1 1 86 86 SER N N 86 108.790 108.790 115.705 -6.915 19627 7027 1 17 . 1 1 86 86 SER HA H 86 4.165 4.165 4.223 -0.058 19627 7028 1 17 . 1 1 86 86 SER CA C 86 60.370 60.370 61.923 -1.553 19627 7029 1 17 . 1 1 86 86 SER CB C 86 63.258 63.258 63.201 0.057 19627 7030 1 17 . 1 1 87 87 LYS N N 87 116.161 116.161 112.927 3.234 19627 7031 1 17 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.359 0.155 19627 7032 1 17 . 1 1 87 87 LYS CA C 87 56.479 56.479 55.792 0.687 19627 7033 1 17 . 1 1 87 87 LYS CB C 87 36.364 36.364 33.774 2.590 19627 7034 1 17 . 1 1 88 88 GLU N N 88 119.485 119.485 120.974 -1.489 19627 7035 1 17 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.767 0.696 19627 7036 1 17 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.591 0.004 19627 7037 1 17 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.184 2.417 19627 7038 1 17 . 1 1 89 89 MET N N 89 122.595 122.595 126.242 -3.647 19627 7039 1 17 . 1 1 89 89 MET HA H 89 4.940 4.940 4.938 0.002 19627 7040 1 17 . 1 1 89 89 MET CA C 89 53.785 53.785 53.546 0.239 19627 7041 1 17 . 1 1 89 89 MET CB C 89 36.210 36.210 36.773 -0.563 19627 7042 1 17 . 1 1 90 90 LYS N N 90 124.449 124.449 124.850 -0.401 19627 7043 1 17 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.806 -0.011 19627 7044 1 17 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.109 0.244 19627 7045 1 17 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.642 3.121 19627 7046 1 17 . 1 1 91 91 TRP N N 91 125.457 125.457 125.658 -0.201 19627 7047 1 17 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.994 0.520 19627 7048 1 17 . 1 1 91 91 TRP CA C 91 52.510 52.510 56.144 -3.634 19627 7049 1 17 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.733 4.019 19627 7050 1 17 . 1 1 92 92 GLU N N 92 123.111 123.111 124.580 -1.469 19627 7051 1 17 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.694 0.181 19627 7052 1 17 . 1 1 92 92 GLU C C 92 176.109 176.109 176.347 -0.238 19627 7053 1 17 . 1 1 92 92 GLU CA C 92 53.610 53.610 54.015 -0.405 19627 7054 1 17 . 1 1 92 92 GLU CB C 92 33.384 33.384 33.078 0.306 19627 7055 1 17 . 1 1 93 93 ASN N N 93 126.757 126.757 123.243 3.514 19627 7056 1 17 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.408 -0.005 19627 7057 1 17 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.958 -1.966 19627 7058 1 17 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.504 -0.901 19627 7059 1 17 . 1 1 94 94 ALA N N 94 130.509 130.509 119.473 11.036 19627 7060 1 17 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.096 0.109 19627 7061 1 17 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.084 -2.022 19627 7062 1 17 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.169 1.841 19627 7063 1 17 . 1 1 95 95 SER N N 95 114.601 114.601 115.232 -0.631 19627 7064 1 17 . 1 1 95 95 SER HA H 95 4.545 4.545 4.966 -0.421 19627 7065 1 17 . 1 1 95 95 SER CA C 95 54.544 54.544 53.937 0.607 19627 7066 1 17 . 1 1 95 95 SER CB C 95 63.081 63.081 63.464 -0.383 19627 7067 1 17 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.453 -0.149 19627 7068 1 17 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.698 -0.109 19627 7069 1 17 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.930 0.328 19627 7070 1 17 . 1 1 97 97 LYS N N 97 118.117 118.117 116.599 1.518 19627 7071 1 17 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.101 0.047 19627 7072 1 17 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.786 -1.339 19627 7073 1 17 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.209 0.782 19627 7074 1 17 . 1 1 98 98 ASP N N 98 119.820 119.820 118.591 1.229 19627 7075 1 17 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.517 -0.192 19627 7076 1 17 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.900 -0.302 19627 7077 1 17 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.324 -0.542 19627 7078 1 17 . 1 1 99 99 GLY N N 99 107.593 107.593 108.009 -0.416 19627 7079 1 17 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.906 0.730 19627 7080 1 17 . 1 1 100 100 ASN N N 100 119.859 119.859 120.839 -0.980 19627 7081 1 17 . 1 1 100 100 ASN HA H 100 4.720 4.720 5.030 -0.310 19627 7082 1 17 . 1 1 100 100 ASN C C 100 175.832 175.832 173.700 2.132 19627 7083 1 17 . 1 1 100 100 ASN CA C 100 53.853 53.853 51.781 2.072 19627 7084 1 17 . 1 1 100 100 ASN CB C 100 38.772 38.772 41.906 -3.134 19627 7085 1 17 . 1 1 101 101 SER N N 101 117.380 117.380 114.492 2.888 19627 7086 1 17 . 1 1 101 101 SER HA H 101 4.533 4.533 4.851 -0.318 19627 7087 1 17 . 1 1 101 101 SER C C 101 175.075 175.075 173.792 1.283 19627 7088 1 17 . 1 1 101 101 SER CA C 101 57.658 57.658 57.609 0.049 19627 7089 1 17 . 1 1 101 101 SER CB C 101 64.927 64.927 65.877 -0.950 19627 7090 1 17 . 1 1 102 102 ASP N N 102 123.193 123.193 123.383 -0.190 19627 7091 1 17 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.215 -0.609 19627 7092 1 17 . 1 1 102 102 ASP C C 102 177.297 177.297 176.487 0.810 19627 7093 1 17 . 1 1 102 102 ASP CA C 102 55.558 55.558 52.482 3.076 19627 7094 1 17 . 1 1 102 102 ASP CB C 102 40.668 40.668 40.123 0.545 19627 7095 1 17 . 1 1 103 103 LYS N N 103 117.188 117.188 120.770 -3.582 19627 7096 1 17 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.279 1.118 19627 7097 1 17 . 1 1 103 103 LYS CA C 103 55.561 55.561 56.502 -0.941 19627 7098 1 17 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.020 6.931 19627 7099 1 17 . 1 1 104 104 ARG N N 104 122.088 122.088 118.470 3.618 19627 7100 1 17 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.804 0.003 19627 7101 1 17 . 1 1 104 104 ARG C C 104 174.517 174.517 175.200 -0.683 19627 7102 1 17 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.639 1.046 19627 7103 1 17 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.210 2.739 19627 7104 1 17 . 1 1 105 105 LEU N N 105 126.226 126.226 124.694 1.532 19627 7105 1 17 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.344 1.145 19627 7106 1 17 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.197 -0.055 19627 7107 1 17 . 1 1 105 105 LEU CB C 105 45.852 45.852 41.478 4.374 19627 7108 1 17 . 1 1 106 106 GLU N N 106 120.408 120.408 126.176 -5.768 19627 7109 1 17 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.697 0.648 19627 7110 1 17 . 1 1 106 106 GLU CA C 106 54.248 54.248 54.862 -0.614 19627 7111 1 17 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.296 5.256 19627 7112 1 17 . 1 1 107 107 LYS N N 107 127.864 127.864 117.990 9.874 19627 7113 1 17 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.441 0.033 19627 7114 1 17 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.619 -0.715 19627 7115 1 17 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.091 0.282 19627 7116 1 17 . 1 1 108 108 TYR N N 108 127.870 127.870 121.459 6.411 19627 7117 1 17 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.500 -0.059 19627 7118 1 17 . 1 1 108 108 TYR CA C 108 57.519 57.519 57.649 -0.130 19627 7119 1 17 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.666 1.457 19627 7120 1 17 . 1 1 109 109 ASN N N 109 123.534 123.534 129.504 -5.970 19627 7121 1 17 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.541 0.035 19627 7122 1 17 . 1 1 109 109 ASN CA C 109 53.020 53.020 52.610 0.410 19627 7123 1 17 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.073 3.523 19627 7124 1 18 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.499 0.021 19627 7125 1 18 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.743 0.463 19627 7126 1 18 . 1 1 2 2 ASP CB C 2 41.225 41.225 40.880 0.344 19627 7127 1 18 . 1 1 3 3 GLU N N 3 119.869 119.869 118.410 1.459 19627 7128 1 18 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.059 0.140 19627 7129 1 18 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.938 0.091 19627 7130 1 18 . 1 1 3 3 GLU CB C 3 29.820 29.820 29.834 -0.014 19627 7131 1 18 . 1 1 4 4 ASP N N 4 119.650 119.650 121.246 -1.596 19627 7132 1 18 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.824 -0.384 19627 7133 1 18 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.247 0.871 19627 7134 1 18 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.387 -0.142 19627 7135 1 18 . 1 1 5 5 ASP N N 5 119.339 119.339 118.574 0.765 19627 7136 1 18 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.709 -0.079 19627 7137 1 18 . 1 1 5 5 ASP CA C 5 53.761 53.761 53.984 -0.223 19627 7138 1 18 . 1 1 5 5 ASP CB C 5 40.866 40.866 41.439 -0.573 19627 7139 1 18 . 1 1 6 6 LYS N N 6 121.265 121.265 119.573 1.692 19627 7140 1 18 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.531 -0.314 19627 7141 1 18 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.046 1.063 19627 7142 1 18 . 1 1 6 6 LYS CB C 6 33.916 33.916 35.492 -1.576 19627 7143 1 18 . 1 1 7 7 VAL N N 7 122.743 122.743 125.689 -2.946 19627 7144 1 18 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.101 -0.050 19627 7145 1 18 . 1 1 7 7 VAL CA C 7 62.504 62.504 63.032 -0.528 19627 7146 1 18 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.170 1.568 19627 7147 1 18 . 1 1 8 8 GLU N N 8 129.254 129.254 128.148 1.106 19627 7148 1 18 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.599 0.005 19627 7149 1 18 . 1 1 8 8 GLU CA C 8 54.083 54.083 54.493 -0.410 19627 7150 1 18 . 1 1 8 8 GLU CB C 8 30.047 30.047 32.344 -2.297 19627 7151 1 18 . 1 1 9 9 ILE N N 9 123.662 123.662 124.196 -0.534 19627 7152 1 18 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.013 -0.194 19627 7153 1 18 . 1 1 9 9 ILE CA C 9 63.426 63.426 65.591 -2.165 19627 7154 1 18 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.392 -0.552 19627 7155 1 18 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.367 -0.029 19627 7156 1 18 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.950 0.836 19627 7157 1 18 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.126 0.733 19627 7158 1 18 . 1 1 11 11 GLN N N 11 112.602 112.602 115.972 -3.370 19627 7159 1 18 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.312 -0.090 19627 7160 1 18 . 1 1 11 11 GLN C C 11 176.461 176.461 178.489 -2.028 19627 7161 1 18 . 1 1 11 11 GLN CA C 11 55.805 55.805 57.757 -1.952 19627 7162 1 18 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.015 -0.154 19627 7163 1 18 . 1 1 12 12 LEU N N 12 119.555 119.555 122.026 -2.471 19627 7164 1 18 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.187 -0.279 19627 7165 1 18 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.774 0.341 19627 7166 1 18 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.793 1.510 19627 7167 1 18 . 1 1 13 13 VAL N N 13 112.720 112.720 115.269 -2.549 19627 7168 1 18 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.990 -0.238 19627 7169 1 18 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.222 0.495 19627 7170 1 18 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.970 1.059 19627 7171 1 18 . 1 1 14 14 GLY N N 14 116.042 116.042 107.327 8.715 19627 7172 1 18 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.596 -0.845 19627 7173 1 18 . 1 1 15 15 LYS N N 15 120.788 120.788 119.175 1.613 19627 7174 1 18 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.501 0.684 19627 7175 1 18 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.788 -0.992 19627 7176 1 18 . 1 1 15 15 LYS CB C 15 35.159 35.159 33.615 1.544 19627 7177 1 18 . 1 1 16 16 TRP N N 16 123.983 123.983 121.816 2.167 19627 7178 1 18 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.961 -0.046 19627 7179 1 18 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.552 -0.752 19627 7180 1 18 . 1 1 16 16 TRP CB C 16 34.179 34.179 32.432 1.747 19627 7181 1 18 . 1 1 17 17 ILE N N 17 122.229 122.229 122.056 0.173 19627 7182 1 18 . 1 1 17 17 ILE HA H 17 4.892 4.892 5.097 -0.205 19627 7183 1 18 . 1 1 17 17 ILE CA C 17 58.782 58.782 59.870 -1.088 19627 7184 1 18 . 1 1 17 17 ILE CB C 17 40.584 40.584 41.376 -0.792 19627 7185 1 18 . 1 1 18 18 VAL N N 18 126.326 126.326 124.065 2.261 19627 7186 1 18 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.192 -0.351 19627 7187 1 18 . 1 1 18 18 VAL CA C 18 64.643 64.643 61.790 2.853 19627 7188 1 18 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.806 -0.238 19627 7189 1 18 . 1 1 19 19 LYS N N 19 129.061 129.061 118.819 10.242 19627 7190 1 18 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.259 0.197 19627 7191 1 18 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.618 -2.094 19627 7192 1 18 . 1 1 19 19 LYS CB C 19 33.173 33.173 30.537 2.636 19627 7193 1 18 . 1 1 20 20 GLU N N 20 118.305 118.305 119.773 -1.468 19627 7194 1 18 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.764 -0.374 19627 7195 1 18 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.131 0.987 19627 7196 1 18 . 1 1 20 20 GLU CB C 20 33.513 33.513 32.164 1.349 19627 7197 1 18 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.345 0.262 19627 7198 1 18 . 1 1 21 21 PRO CA C 21 62.630 62.630 63.140 -0.510 19627 7199 1 18 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.252 2.538 19627 7200 1 18 . 1 1 22 22 VAL N N 22 119.998 119.998 119.405 0.593 19627 7201 1 18 . 1 1 22 22 VAL HA H 22 4.017 4.017 3.961 0.056 19627 7202 1 18 . 1 1 22 22 VAL CA C 22 62.374 62.374 62.996 -0.622 19627 7203 1 18 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.182 0.755 19627 7204 1 18 . 1 1 23 23 LEU N N 23 128.343 128.343 123.253 5.090 19627 7205 1 18 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.842 -0.395 19627 7206 1 18 . 1 1 23 23 LEU CA C 23 54.190 54.190 53.740 0.450 19627 7207 1 18 . 1 1 23 23 LEU CB C 23 42.828 42.828 43.908 -1.080 19627 7208 1 18 . 1 1 24 24 GLN N N 24 117.971 117.971 118.364 -0.393 19627 7209 1 18 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.425 -0.165 19627 7210 1 18 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.547 0.051 19627 7211 1 18 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.716 0.388 19627 7212 1 18 . 1 1 25 25 ASP N N 25 117.501 117.501 117.936 -0.435 19627 7213 1 18 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.276 -0.070 19627 7214 1 18 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.510 0.259 19627 7215 1 18 . 1 1 25 25 ASP CB C 25 39.962 39.962 39.978 -0.016 19627 7216 1 18 . 1 1 26 26 ASP N N 26 112.782 112.782 112.927 -0.145 19627 7217 1 18 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.205 0.130 19627 7218 1 18 . 1 1 26 26 ASP CA C 26 55.159 55.159 55.234 -0.075 19627 7219 1 18 . 1 1 26 26 ASP CB C 26 39.737 39.737 39.499 0.238 19627 7220 1 18 . 1 1 27 27 PHE N N 27 118.623 118.623 120.489 -1.866 19627 7221 1 18 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.253 0.174 19627 7222 1 18 . 1 1 27 27 PHE CA C 27 58.011 58.011 60.116 -2.105 19627 7223 1 18 . 1 1 27 27 PHE CB C 27 40.533 40.533 37.825 2.708 19627 7224 1 18 . 1 1 28 28 VAL N N 28 119.117 119.117 119.113 0.004 19627 7225 1 18 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.674 -0.174 19627 7226 1 18 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.346 0.554 19627 7227 1 18 . 1 1 28 28 VAL CB C 28 36.175 36.175 34.909 1.266 19627 7228 1 18 . 1 1 29 29 THR N N 29 124.304 124.304 115.216 9.088 19627 7229 1 18 . 1 1 29 29 THR HA H 29 5.212 5.212 5.111 0.101 19627 7230 1 18 . 1 1 29 29 THR CA C 29 62.051 62.051 61.976 0.075 19627 7231 1 18 . 1 1 29 29 THR CB C 29 70.541 70.541 71.870 -1.329 19627 7232 1 18 . 1 1 30 30 CYS N N 30 123.969 123.969 124.091 -0.122 19627 7233 1 18 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.246 0.335 19627 7234 1 18 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.354 -0.288 19627 7235 1 18 . 1 1 30 30 CYS CB C 30 31.010 31.010 26.945 4.065 19627 7236 1 18 . 1 1 31 31 TYR N N 31 125.131 125.131 126.875 -1.744 19627 7237 1 18 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.648 0.517 19627 7238 1 18 . 1 1 31 31 TYR CA C 31 57.270 57.270 59.345 -2.075 19627 7239 1 18 . 1 1 31 31 TYR CB C 31 43.631 43.631 38.354 5.277 19627 7240 1 18 . 1 1 32 32 THR N N 32 118.682 118.682 119.953 -1.271 19627 7241 1 18 . 1 1 32 32 THR HA H 32 5.122 5.122 4.574 0.548 19627 7242 1 18 . 1 1 32 32 THR CA C 32 61.828 61.828 60.990 0.838 19627 7243 1 18 . 1 1 32 32 THR CB C 32 70.848 70.848 70.388 0.460 19627 7244 1 18 . 1 1 33 33 PHE N N 33 123.161 123.161 125.880 -2.719 19627 7245 1 18 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.933 -0.089 19627 7246 1 18 . 1 1 33 33 PHE CA C 33 57.983 57.983 57.251 0.732 19627 7247 1 18 . 1 1 33 33 PHE CB C 33 40.905 40.905 40.569 0.336 19627 7248 1 18 . 1 1 34 34 ASN N N 34 119.699 119.699 117.895 1.804 19627 7249 1 18 . 1 1 34 34 ASN HA H 34 5.355 5.355 5.063 0.292 19627 7250 1 18 . 1 1 34 34 ASN CA C 34 52.483 52.483 52.288 0.195 19627 7251 1 18 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.570 -0.127 19627 7252 1 18 . 1 1 35 35 ALA N N 35 128.044 128.044 121.624 6.420 19627 7253 1 18 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.240 -0.073 19627 7254 1 18 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.711 0.103 19627 7255 1 18 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.180 -0.775 19627 7256 1 18 . 1 1 36 36 ASP N N 36 116.944 116.944 111.687 5.257 19627 7257 1 18 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.644 -0.207 19627 7258 1 18 . 1 1 36 36 ASP CA C 36 53.395 53.395 53.839 -0.444 19627 7259 1 18 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.154 -1.642 19627 7260 1 18 . 1 1 37 37 LYS N N 37 108.202 108.202 121.400 -13.198 19627 7261 1 18 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.404 -1.140 19627 7262 1 18 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.445 1.629 19627 7263 1 18 . 1 1 37 37 LYS CB C 37 27.597 27.597 33.889 -6.293 19627 7264 1 18 . 1 1 38 38 THR N N 38 107.877 107.877 107.764 0.113 19627 7265 1 18 . 1 1 38 38 THR HA H 38 5.403 5.403 4.982 0.421 19627 7266 1 18 . 1 1 38 38 THR CA C 38 61.011 61.011 59.977 1.034 19627 7267 1 18 . 1 1 38 38 THR CB C 38 72.829 72.829 71.257 1.572 19627 7268 1 18 . 1 1 39 39 TYR N N 39 117.837 117.837 117.193 0.644 19627 7269 1 18 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.300 0.414 19627 7270 1 18 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.991 -0.249 19627 7271 1 18 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.312 2.267 19627 7272 1 18 . 1 1 40 40 GLU N N 40 118.677 118.677 118.112 0.565 19627 7273 1 18 . 1 1 40 40 GLU HA H 40 5.253 5.253 4.910 0.343 19627 7274 1 18 . 1 1 40 40 GLU CA C 40 54.059 54.059 54.590 -0.531 19627 7275 1 18 . 1 1 40 40 GLU CB C 40 34.955 34.955 34.500 0.455 19627 7276 1 18 . 1 1 41 41 VAL N N 41 121.838 121.838 119.528 2.310 19627 7277 1 18 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.210 0.949 19627 7278 1 18 . 1 1 41 41 VAL CA C 41 59.540 59.540 60.423 -0.883 19627 7279 1 18 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.656 -0.332 19627 7280 1 18 . 1 1 42 42 TYR N N 42 126.740 126.740 122.265 4.475 19627 7281 1 18 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.870 -0.055 19627 7282 1 18 . 1 1 42 42 TYR CA C 42 56.841 56.841 58.138 -1.297 19627 7283 1 18 . 1 1 42 42 TYR CB C 42 42.293 42.293 41.261 1.032 19627 7284 1 18 . 1 1 43 43 THR N N 43 122.111 122.111 122.330 -0.219 19627 7285 1 18 . 1 1 43 43 THR HA H 43 5.126 5.126 5.155 -0.029 19627 7286 1 18 . 1 1 43 43 THR CA C 43 60.915 60.915 61.420 -0.505 19627 7287 1 18 . 1 1 43 43 THR CB C 43 70.667 70.667 70.422 0.245 19627 7288 1 18 . 1 1 44 44 GLY N N 44 112.123 112.123 116.237 -4.114 19627 7289 1 18 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.215 -0.177 19627 7290 1 18 . 1 1 45 45 SER N N 45 118.181 118.181 119.039 -0.858 19627 7291 1 18 . 1 1 45 45 SER HA H 45 4.736 4.736 5.055 -0.319 19627 7292 1 18 . 1 1 45 45 SER CA C 45 55.721 55.721 55.062 0.659 19627 7293 1 18 . 1 1 45 45 SER CB C 45 64.234 64.234 63.952 0.282 19627 7294 1 18 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.368 -0.090 19627 7295 1 18 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.702 0.201 19627 7296 1 18 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.504 -0.404 19627 7297 1 18 . 1 1 47 47 LEU N N 47 115.053 115.053 116.414 -1.361 19627 7298 1 18 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.391 -0.115 19627 7299 1 18 . 1 1 47 47 LEU CA C 47 54.820 54.820 55.100 -0.280 19627 7300 1 18 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.927 -0.430 19627 7301 1 18 . 1 1 48 48 SER N N 48 114.930 114.930 111.826 3.104 19627 7302 1 18 . 1 1 48 48 SER HA H 48 4.418 4.418 4.717 -0.299 19627 7303 1 18 . 1 1 48 48 SER CA C 48 57.896 57.896 57.586 0.310 19627 7304 1 18 . 1 1 48 48 SER CB C 48 64.328 64.328 65.781 -1.453 19627 7305 1 18 . 1 1 49 49 ASN N N 49 121.801 121.801 118.566 3.235 19627 7306 1 18 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.663 0.020 19627 7307 1 18 . 1 1 49 49 ASN CA C 49 53.247 53.247 52.869 0.378 19627 7308 1 18 . 1 1 49 49 ASN CB C 49 39.147 39.147 36.591 2.556 19627 7309 1 18 . 1 1 50 50 GLY N N 50 108.685 108.685 109.823 -1.138 19627 7310 1 18 . 1 1 50 50 GLY CA C 50 45.049 45.049 46.278 -1.229 19627 7311 1 18 . 1 1 51 51 VAL N N 51 121.162 121.162 120.973 0.189 19627 7312 1 18 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.416 -0.022 19627 7313 1 18 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.542 0.116 19627 7314 1 18 . 1 1 51 51 VAL CB C 51 33.484 33.484 33.200 0.284 19627 7315 1 18 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.715 -0.054 19627 7316 1 18 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.578 0.315 19627 7317 1 18 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.697 0.199 19627 7318 1 18 . 1 1 53 53 PHE N N 53 123.537 123.537 121.724 1.813 19627 7319 1 18 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.611 -0.033 19627 7320 1 18 . 1 1 53 53 PHE CA C 53 57.762 57.762 56.840 0.922 19627 7321 1 18 . 1 1 53 53 PHE CB C 53 40.652 40.652 41.833 -1.181 19627 7322 1 18 . 1 1 54 54 ARG N N 54 124.570 124.570 120.629 3.941 19627 7323 1 18 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.654 0.240 19627 7324 1 18 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.180 0.421 19627 7325 1 18 . 1 1 54 54 ARG CB C 54 33.401 33.401 33.526 -0.124 19627 7326 1 18 . 1 1 55 55 GLY N N 55 107.998 107.998 107.381 0.617 19627 7327 1 18 . 1 1 55 55 GLY CA C 55 45.542 45.542 45.521 0.021 19627 7328 1 18 . 1 1 56 56 THR N N 56 114.021 114.021 115.705 -1.684 19627 7329 1 18 . 1 1 56 56 THR HA H 56 5.777 5.777 4.823 0.954 19627 7330 1 18 . 1 1 56 56 THR CA C 56 60.409 60.409 60.419 -0.009 19627 7331 1 18 . 1 1 56 56 THR CB C 56 72.641 72.641 71.839 0.802 19627 7332 1 18 . 1 1 57 57 TYR N N 57 115.684 115.684 119.154 -3.470 19627 7333 1 18 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.800 0.456 19627 7334 1 18 . 1 1 57 57 TYR CA C 57 55.645 55.645 55.644 0.001 19627 7335 1 18 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.819 1.533 19627 7336 1 18 . 1 1 58 58 ILE N N 58 118.048 118.048 121.537 -3.489 19627 7337 1 18 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.505 -0.150 19627 7338 1 18 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.176 -0.167 19627 7339 1 18 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.458 0.467 19627 7340 1 18 . 1 1 59 59 ILE N N 59 124.887 124.887 122.567 2.320 19627 7341 1 18 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.966 0.038 19627 7342 1 18 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.203 -0.928 19627 7343 1 18 . 1 1 59 59 ILE CB C 59 40.709 40.709 41.493 -0.784 19627 7344 1 18 . 1 1 60 60 SER N N 60 122.768 122.768 116.875 5.893 19627 7345 1 18 . 1 1 60 60 SER HA H 60 4.835 4.835 4.485 0.350 19627 7346 1 18 . 1 1 60 60 SER CA C 60 55.735 55.735 58.178 -2.443 19627 7347 1 18 . 1 1 60 60 SER CB C 60 63.250 63.250 64.216 -0.966 19627 7348 1 18 . 1 1 61 61 LEU N N 61 129.303 129.303 120.776 8.527 19627 7349 1 18 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.137 -0.291 19627 7350 1 18 . 1 1 61 61 LEU CA C 61 58.659 58.659 56.590 2.069 19627 7351 1 18 . 1 1 61 61 LEU CB C 61 41.962 41.962 41.760 0.202 19627 7352 1 18 . 1 1 62 62 ASP N N 62 118.454 118.454 117.541 0.913 19627 7353 1 18 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.771 -0.468 19627 7354 1 18 . 1 1 62 62 ASP CA C 62 57.114 57.114 54.429 2.685 19627 7355 1 18 . 1 1 62 62 ASP CB C 62 40.178 40.178 42.556 -2.378 19627 7356 1 18 . 1 1 63 63 GLU N N 63 115.083 115.083 117.778 -2.695 19627 7357 1 18 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.356 -0.125 19627 7358 1 18 . 1 1 63 63 GLU CA C 63 55.915 55.915 56.300 -0.385 19627 7359 1 18 . 1 1 63 63 GLU CB C 63 31.398 31.398 30.432 0.966 19627 7360 1 18 . 1 1 64 64 LYS N N 64 117.578 117.578 120.051 -2.473 19627 7361 1 18 . 1 1 65 65 LEU N N 65 119.527 119.527 114.348 5.179 19627 7362 1 18 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.252 0.898 19627 7363 1 18 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.641 -0.285 19627 7364 1 18 . 1 1 65 65 LEU CB C 65 47.627 47.627 45.388 2.240 19627 7365 1 18 . 1 1 66 66 ILE N N 66 123.527 123.527 119.597 3.930 19627 7366 1 18 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.027 -0.024 19627 7367 1 18 . 1 1 66 66 ILE CA C 66 58.348 58.348 59.295 -0.947 19627 7368 1 18 . 1 1 66 66 ILE CB C 66 42.093 42.093 40.999 1.094 19627 7369 1 18 . 1 1 67 67 LYS N N 67 125.168 125.168 126.838 -1.670 19627 7370 1 18 . 1 1 67 67 LYS HA H 67 4.407 4.407 5.136 -0.729 19627 7371 1 18 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.486 0.796 19627 7372 1 18 . 1 1 67 67 LYS CB C 67 36.248 36.248 37.259 -1.011 19627 7373 1 18 . 1 1 68 68 LEU N N 68 123.218 123.218 121.324 1.894 19627 7374 1 18 . 1 1 68 68 LEU HA H 68 4.798 4.798 5.529 -0.731 19627 7375 1 18 . 1 1 68 68 LEU CA C 68 54.830 54.830 54.162 0.668 19627 7376 1 18 . 1 1 68 68 LEU CB C 68 40.826 40.826 46.208 -5.382 19627 7377 1 18 . 1 1 69 69 TYR N N 69 119.751 119.751 119.906 -0.155 19627 7378 1 18 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.179 0.245 19627 7379 1 18 . 1 1 69 69 TYR CA C 69 57.166 57.166 54.774 2.392 19627 7380 1 18 . 1 1 69 69 TYR CB C 69 42.319 42.319 39.107 3.212 19627 7381 1 18 . 1 1 70 70 ASP N N 70 120.335 120.335 119.213 1.122 19627 7382 1 18 . 1 1 70 70 ASP HA H 70 5.042 5.042 4.534 0.508 19627 7383 1 18 . 1 1 70 70 ASP CA C 70 52.428 52.428 53.059 -0.631 19627 7384 1 18 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.509 -0.299 19627 7385 1 18 . 1 1 71 71 LYS N N 71 117.975 117.975 117.701 0.274 19627 7386 1 18 . 1 1 71 71 LYS HA H 71 4.205 4.205 3.817 0.388 19627 7387 1 18 . 1 1 71 71 LYS CA C 71 58.189 58.189 59.366 -1.177 19627 7388 1 18 . 1 1 71 71 LYS CB C 71 32.224 32.224 32.520 -0.296 19627 7389 1 18 . 1 1 72 72 GLU N N 72 119.779 119.779 113.144 6.635 19627 7390 1 18 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.518 -0.242 19627 7391 1 18 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.121 -0.298 19627 7392 1 18 . 1 1 72 72 GLU CB C 72 29.639 29.639 30.988 -1.349 19627 7393 1 18 . 1 1 73 73 GLU N N 73 112.572 112.572 121.957 -9.385 19627 7394 1 18 . 1 1 73 73 GLU HA H 73 3.606 3.606 3.732 -0.126 19627 7395 1 18 . 1 1 73 73 GLU CA C 73 58.091 58.091 55.922 2.169 19627 7396 1 18 . 1 1 73 73 GLU CB C 73 26.900 26.900 28.115 -1.215 19627 7397 1 18 . 1 1 74 74 HIS N N 74 118.561 118.561 114.506 4.055 19627 7398 1 18 . 1 1 74 74 HIS HA H 74 4.872 4.872 3.655 1.217 19627 7399 1 18 . 1 1 74 74 HIS CA C 74 54.491 54.491 56.471 -1.980 19627 7400 1 18 . 1 1 74 74 HIS CB C 74 28.650 28.650 26.858 1.792 19627 7401 1 18 . 1 1 75 75 CYS N N 75 126.459 126.459 112.419 14.040 19627 7402 1 18 . 1 1 75 75 CYS HA H 75 4.050 4.050 4.055 -0.005 19627 7403 1 18 . 1 1 75 75 CYS CA C 75 58.539 58.539 59.334 -0.795 19627 7404 1 18 . 1 1 75 75 CYS CB C 75 26.305 26.305 26.758 -0.453 19627 7405 1 18 . 1 1 76 76 THR N N 76 123.868 123.868 116.431 7.437 19627 7406 1 18 . 1 1 76 76 THR HA H 76 4.115 4.115 4.166 -0.051 19627 7407 1 18 . 1 1 76 76 THR CA C 76 62.701 62.701 64.254 -1.553 19627 7408 1 18 . 1 1 76 76 THR CB C 76 68.451 68.451 69.886 -1.435 19627 7409 1 18 . 1 1 77 77 GLU N N 77 120.185 120.185 119.911 0.274 19627 7410 1 18 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.626 -0.451 19627 7411 1 18 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.011 -0.314 19627 7412 1 18 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.450 0.650 19627 7413 1 18 . 1 1 78 78 GLN N N 78 118.401 118.401 117.215 1.186 19627 7414 1 18 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.933 -0.236 19627 7415 1 18 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.204 -0.271 19627 7416 1 18 . 1 1 78 78 GLN CB C 78 31.842 31.842 32.436 -0.594 19627 7417 1 18 . 1 1 79 79 TYR N N 79 116.069 116.069 116.932 -0.863 19627 7418 1 18 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.935 -0.085 19627 7419 1 18 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.273 -0.274 19627 7420 1 18 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.444 0.369 19627 7421 1 18 . 1 1 80 80 HIS N N 80 119.747 119.747 121.441 -1.694 19627 7422 1 18 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.597 0.576 19627 7423 1 18 . 1 1 80 80 HIS CA C 80 55.121 55.121 56.139 -1.018 19627 7424 1 18 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.447 -1.727 19627 7425 1 18 . 1 1 81 81 ILE N N 81 126.268 126.268 128.185 -1.917 19627 7426 1 18 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.691 0.529 19627 7427 1 18 . 1 1 81 81 ILE CA C 81 61.739 61.739 62.123 -0.384 19627 7428 1 18 . 1 1 81 81 ILE CB C 81 38.354 38.354 36.746 1.608 19627 7429 1 18 . 1 1 82 82 LEU N N 82 127.552 127.552 128.139 -0.587 19627 7430 1 18 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.213 -0.119 19627 7431 1 18 . 1 1 82 82 LEU CA C 82 55.392 55.392 56.817 -1.425 19627 7432 1 18 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.462 0.653 19627 7433 1 18 . 1 1 83 83 LYS N N 83 115.809 115.809 115.394 0.415 19627 7434 1 18 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.537 -0.337 19627 7435 1 18 . 1 1 83 83 LYS CA C 83 55.693 55.693 54.412 1.281 19627 7436 1 18 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.010 0.913 19627 7437 1 18 . 1 1 84 84 LEU N N 84 129.953 129.953 122.420 7.533 19627 7438 1 18 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.605 0.229 19627 7439 1 18 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.431 0.183 19627 7440 1 18 . 1 1 84 84 LEU CB C 84 43.767 43.767 44.352 -0.585 19627 7441 1 18 . 1 1 85 85 THR N N 85 119.648 119.648 112.247 7.401 19627 7442 1 18 . 1 1 85 85 THR HA H 85 4.897 4.897 4.709 0.188 19627 7443 1 18 . 1 1 85 85 THR CA C 85 58.717 58.717 60.202 -1.485 19627 7444 1 18 . 1 1 85 85 THR CB C 85 72.356 72.356 70.959 1.397 19627 7445 1 18 . 1 1 86 86 SER N N 86 108.790 108.790 116.021 -7.231 19627 7446 1 18 . 1 1 86 86 SER HA H 86 4.165 4.165 4.255 -0.090 19627 7447 1 18 . 1 1 86 86 SER CA C 86 60.370 60.370 61.692 -1.322 19627 7448 1 18 . 1 1 86 86 SER CB C 86 63.258 63.258 63.455 -0.196 19627 7449 1 18 . 1 1 87 87 LYS N N 87 116.161 116.161 114.645 1.516 19627 7450 1 18 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.399 0.115 19627 7451 1 18 . 1 1 87 87 LYS CA C 87 56.479 56.479 55.719 0.760 19627 7452 1 18 . 1 1 87 87 LYS CB C 87 36.364 36.364 33.831 2.533 19627 7453 1 18 . 1 1 88 88 GLU N N 88 119.485 119.485 121.345 -1.860 19627 7454 1 18 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.968 0.495 19627 7455 1 18 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.814 -0.219 19627 7456 1 18 . 1 1 88 88 GLU CB C 88 35.601 35.601 32.881 2.720 19627 7457 1 18 . 1 1 89 89 MET N N 89 122.595 122.595 127.830 -5.235 19627 7458 1 18 . 1 1 89 89 MET HA H 89 4.940 4.940 4.837 0.103 19627 7459 1 18 . 1 1 89 89 MET CA C 89 53.785 53.785 54.167 -0.382 19627 7460 1 18 . 1 1 89 89 MET CB C 89 36.210 36.210 35.273 0.937 19627 7461 1 18 . 1 1 90 90 LYS N N 90 124.449 124.449 128.154 -3.705 19627 7462 1 18 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.652 0.143 19627 7463 1 18 . 1 1 90 90 LYS CA C 90 55.353 55.353 56.027 -0.674 19627 7464 1 18 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.057 3.706 19627 7465 1 18 . 1 1 91 91 TRP N N 91 125.457 125.457 128.110 -2.653 19627 7466 1 18 . 1 1 91 91 TRP HA H 91 5.514 5.514 5.091 0.423 19627 7467 1 18 . 1 1 91 91 TRP CA C 91 52.510 52.510 55.819 -3.309 19627 7468 1 18 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.459 4.293 19627 7469 1 18 . 1 1 92 92 GLU N N 92 123.111 123.111 125.401 -2.290 19627 7470 1 18 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.490 0.385 19627 7471 1 18 . 1 1 92 92 GLU C C 92 176.109 176.109 176.810 -0.701 19627 7472 1 18 . 1 1 92 92 GLU CA C 92 53.610 53.610 54.769 -1.159 19627 7473 1 18 . 1 1 92 92 GLU CB C 92 33.384 33.384 32.478 0.905 19627 7474 1 18 . 1 1 93 93 ASN N N 93 126.757 126.757 123.174 3.583 19627 7475 1 18 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.507 -0.104 19627 7476 1 18 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.726 -1.734 19627 7477 1 18 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.502 -0.899 19627 7478 1 18 . 1 1 94 94 ALA N N 94 130.509 130.509 120.445 10.064 19627 7479 1 18 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.098 0.107 19627 7480 1 18 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.186 -2.124 19627 7481 1 18 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.391 1.619 19627 7482 1 18 . 1 1 95 95 SER N N 95 114.601 114.601 114.555 0.046 19627 7483 1 18 . 1 1 95 95 SER HA H 95 4.545 4.545 4.853 -0.308 19627 7484 1 18 . 1 1 95 95 SER CA C 95 54.544 54.544 55.998 -1.454 19627 7485 1 18 . 1 1 95 95 SER CB C 95 63.081 63.081 63.578 -0.497 19627 7486 1 18 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.274 0.030 19627 7487 1 18 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.354 0.235 19627 7488 1 18 . 1 1 96 96 PRO CB C 96 32.258 32.258 32.019 0.239 19627 7489 1 18 . 1 1 97 97 LYS N N 97 118.117 118.117 117.397 0.720 19627 7490 1 18 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.055 0.093 19627 7491 1 18 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.899 -1.452 19627 7492 1 18 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.328 0.663 19627 7493 1 18 . 1 1 98 98 ASP N N 98 119.820 119.820 116.913 2.907 19627 7494 1 18 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.601 -0.276 19627 7495 1 18 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.353 0.245 19627 7496 1 18 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.390 -0.608 19627 7497 1 18 . 1 1 99 99 GLY N N 99 107.593 107.593 109.221 -1.628 19627 7498 1 18 . 1 1 99 99 GLY CA C 99 45.636 45.636 45.459 0.177 19627 7499 1 18 . 1 1 100 100 ASN N N 100 119.859 119.859 118.526 1.333 19627 7500 1 18 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.542 0.178 19627 7501 1 18 . 1 1 100 100 ASN C C 100 175.832 175.832 175.569 0.263 19627 7502 1 18 . 1 1 100 100 ASN CA C 100 53.853 53.853 53.584 0.269 19627 7503 1 18 . 1 1 100 100 ASN CB C 100 38.772 38.772 39.243 -0.471 19627 7504 1 18 . 1 1 101 101 SER N N 101 117.380 117.380 115.256 2.124 19627 7505 1 18 . 1 1 101 101 SER HA H 101 4.533 4.533 4.467 0.066 19627 7506 1 18 . 1 1 101 101 SER C C 101 175.075 175.075 173.973 1.102 19627 7507 1 18 . 1 1 101 101 SER CA C 101 57.658 57.658 59.096 -1.438 19627 7508 1 18 . 1 1 101 101 SER CB C 101 64.927 64.927 64.470 0.457 19627 7509 1 18 . 1 1 102 102 ASP N N 102 123.193 123.193 116.502 6.691 19627 7510 1 18 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.286 -0.680 19627 7511 1 18 . 1 1 102 102 ASP C C 102 177.297 177.297 175.417 1.880 19627 7512 1 18 . 1 1 102 102 ASP CA C 102 55.558 55.558 52.939 2.619 19627 7513 1 18 . 1 1 102 102 ASP CB C 102 40.668 40.668 41.344 -0.676 19627 7514 1 18 . 1 1 103 103 LYS N N 103 117.188 117.188 119.592 -2.404 19627 7515 1 18 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.934 0.463 19627 7516 1 18 . 1 1 103 103 LYS CA C 103 55.561 55.561 54.391 1.170 19627 7517 1 18 . 1 1 103 103 LYS CB C 103 39.951 39.951 35.684 4.266 19627 7518 1 18 . 1 1 104 104 ARG N N 104 122.088 122.088 121.286 0.802 19627 7519 1 18 . 1 1 104 104 ARG HA H 104 4.808 4.808 5.047 -0.239 19627 7520 1 18 . 1 1 104 104 ARG C C 104 174.517 174.517 175.382 -0.865 19627 7521 1 18 . 1 1 104 104 ARG CA C 104 55.684 55.684 55.209 0.475 19627 7522 1 18 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.525 2.424 19627 7523 1 18 . 1 1 105 105 LEU N N 105 126.226 126.226 126.812 -0.586 19627 7524 1 18 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.490 0.999 19627 7525 1 18 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.234 -0.092 19627 7526 1 18 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.887 2.965 19627 7527 1 18 . 1 1 106 106 GLU N N 106 120.408 120.408 123.430 -3.022 19627 7528 1 18 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.971 0.374 19627 7529 1 18 . 1 1 106 106 GLU CA C 106 54.248 54.248 54.836 -0.587 19627 7530 1 18 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.946 4.606 19627 7531 1 18 . 1 1 107 107 LYS N N 107 127.864 127.864 117.807 10.057 19627 7532 1 18 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.203 0.271 19627 7533 1 18 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.357 -0.453 19627 7534 1 18 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.021 0.352 19627 7535 1 18 . 1 1 108 108 TYR N N 108 127.870 127.870 121.200 6.670 19627 7536 1 18 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.639 -0.198 19627 7537 1 18 . 1 1 108 108 TYR CA C 108 57.519 57.519 56.352 1.167 19627 7538 1 18 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.565 1.558 19627 7539 1 18 . 1 1 109 109 ASN N N 109 123.534 123.534 129.168 -5.634 19627 7540 1 18 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.478 0.099 19627 7541 1 18 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.208 -0.188 19627 7542 1 18 . 1 1 109 109 ASN CB C 109 40.596 40.596 37.329 3.267 19627 7543 1 19 . 1 1 2 2 ASP HA H 2 4.520 4.520 4.860 -0.340 19627 7544 1 19 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.051 1.155 19627 7545 1 19 . 1 1 2 2 ASP CB C 2 41.225 41.225 40.484 0.741 19627 7546 1 19 . 1 1 3 3 GLU N N 3 119.869 119.869 121.251 -1.382 19627 7547 1 19 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.539 -0.340 19627 7548 1 19 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.680 0.349 19627 7549 1 19 . 1 1 3 3 GLU CB C 3 29.820 29.820 30.003 -0.183 19627 7550 1 19 . 1 1 4 4 ASP N N 4 119.650 119.650 124.599 -4.949 19627 7551 1 19 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.636 -0.196 19627 7552 1 19 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.007 1.111 19627 7553 1 19 . 1 1 4 4 ASP CB C 4 41.245 41.245 40.916 0.329 19627 7554 1 19 . 1 1 5 5 ASP N N 5 119.339 119.339 119.920 -0.581 19627 7555 1 19 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.356 0.274 19627 7556 1 19 . 1 1 5 5 ASP CA C 5 53.761 53.761 55.410 -1.649 19627 7557 1 19 . 1 1 5 5 ASP CB C 5 40.866 40.866 39.715 1.151 19627 7558 1 19 . 1 1 6 6 LYS N N 6 121.265 121.265 118.293 2.972 19627 7559 1 19 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.603 -0.386 19627 7560 1 19 . 1 1 6 6 LYS CA C 6 56.109 56.109 54.841 1.268 19627 7561 1 19 . 1 1 6 6 LYS CB C 6 33.916 33.916 35.477 -1.561 19627 7562 1 19 . 1 1 7 7 VAL N N 7 122.743 122.743 123.439 -0.696 19627 7563 1 19 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.188 -0.137 19627 7564 1 19 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.470 0.034 19627 7565 1 19 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.407 1.331 19627 7566 1 19 . 1 1 8 8 GLU N N 8 129.254 129.254 126.403 2.851 19627 7567 1 19 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.553 0.051 19627 7568 1 19 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.476 -1.393 19627 7569 1 19 . 1 1 8 8 GLU CB C 8 30.047 30.047 31.859 -1.812 19627 7570 1 19 . 1 1 9 9 ILE N N 9 123.662 123.662 122.452 1.210 19627 7571 1 19 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.246 -0.427 19627 7572 1 19 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.482 -1.056 19627 7573 1 19 . 1 1 9 9 ILE CB C 9 34.840 34.840 37.150 -2.310 19627 7574 1 19 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.358 -0.020 19627 7575 1 19 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.501 1.285 19627 7576 1 19 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.561 0.298 19627 7577 1 19 . 1 1 11 11 GLN N N 11 112.602 112.602 116.476 -3.874 19627 7578 1 19 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.243 -0.021 19627 7579 1 19 . 1 1 11 11 GLN C C 11 176.461 176.461 177.012 -0.551 19627 7580 1 19 . 1 1 11 11 GLN CA C 11 55.805 55.805 57.176 -1.371 19627 7581 1 19 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.514 -0.653 19627 7582 1 19 . 1 1 12 12 LEU N N 12 119.555 119.555 120.123 -0.568 19627 7583 1 19 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.299 -0.391 19627 7584 1 19 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.365 0.750 19627 7585 1 19 . 1 1 12 12 LEU CB C 12 43.303 43.303 42.224 1.079 19627 7586 1 19 . 1 1 13 13 VAL N N 13 112.720 112.720 115.885 -3.165 19627 7587 1 19 . 1 1 13 13 VAL HA H 13 3.752 3.752 3.956 -0.204 19627 7588 1 19 . 1 1 13 13 VAL CA C 13 64.717 64.717 64.401 0.316 19627 7589 1 19 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.654 1.375 19627 7590 1 19 . 1 1 14 14 GLY N N 14 116.042 116.042 107.116 8.926 19627 7591 1 19 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.934 -1.183 19627 7592 1 19 . 1 1 15 15 LYS N N 15 120.788 120.788 117.981 2.807 19627 7593 1 19 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.280 0.905 19627 7594 1 19 . 1 1 15 15 LYS CA C 15 55.797 55.797 56.172 -0.375 19627 7595 1 19 . 1 1 15 15 LYS CB C 15 35.159 35.159 33.397 1.762 19627 7596 1 19 . 1 1 16 16 TRP N N 16 123.983 123.983 119.377 4.606 19627 7597 1 19 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.986 -0.071 19627 7598 1 19 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.538 -0.738 19627 7599 1 19 . 1 1 16 16 TRP CB C 16 34.179 34.179 33.403 0.776 19627 7600 1 19 . 1 1 17 17 ILE N N 17 122.229 122.229 122.254 -0.025 19627 7601 1 19 . 1 1 17 17 ILE HA H 17 4.892 4.892 5.030 -0.138 19627 7602 1 19 . 1 1 17 17 ILE CA C 17 58.782 58.782 59.355 -0.573 19627 7603 1 19 . 1 1 17 17 ILE CB C 17 40.584 40.584 41.691 -1.107 19627 7604 1 19 . 1 1 18 18 VAL N N 18 126.326 126.326 127.133 -0.807 19627 7605 1 19 . 1 1 18 18 VAL HA H 18 3.841 3.841 3.932 -0.091 19627 7606 1 19 . 1 1 18 18 VAL CA C 18 64.643 64.643 61.831 2.812 19627 7607 1 19 . 1 1 18 18 VAL CB C 18 31.568 31.568 30.999 0.569 19627 7608 1 19 . 1 1 19 19 LYS N N 19 129.061 129.061 121.053 8.008 19627 7609 1 19 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.155 0.301 19627 7610 1 19 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.720 -2.196 19627 7611 1 19 . 1 1 19 19 LYS CB C 19 33.173 33.173 31.378 1.795 19627 7612 1 19 . 1 1 20 20 GLU N N 20 118.305 118.305 118.861 -0.556 19627 7613 1 19 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.590 -0.200 19627 7614 1 19 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.530 0.588 19627 7615 1 19 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.684 1.829 19627 7616 1 19 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.280 0.327 19627 7617 1 19 . 1 1 21 21 PRO CA C 21 62.630 62.630 63.326 -0.696 19627 7618 1 19 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.392 2.398 19627 7619 1 19 . 1 1 22 22 VAL N N 22 119.998 119.998 121.626 -1.628 19627 7620 1 19 . 1 1 22 22 VAL HA H 22 4.017 4.017 4.019 -0.002 19627 7621 1 19 . 1 1 22 22 VAL CA C 22 62.374 62.374 61.835 0.539 19627 7622 1 19 . 1 1 22 22 VAL CB C 22 32.937 32.937 33.035 -0.098 19627 7623 1 19 . 1 1 23 23 LEU N N 23 128.343 128.343 126.471 1.872 19627 7624 1 19 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.391 0.056 19627 7625 1 19 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.867 -0.677 19627 7626 1 19 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.066 0.761 19627 7627 1 19 . 1 1 24 24 GLN N N 24 117.971 117.971 118.029 -0.058 19627 7628 1 19 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.193 0.067 19627 7629 1 19 . 1 1 24 24 GLN CA C 24 55.598 55.598 56.234 -0.636 19627 7630 1 19 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.255 0.849 19627 7631 1 19 . 1 1 25 25 ASP N N 25 117.501 117.501 120.673 -3.172 19627 7632 1 19 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.308 -0.102 19627 7633 1 19 . 1 1 25 25 ASP CA C 25 55.769 55.769 56.812 -1.043 19627 7634 1 19 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.358 -0.396 19627 7635 1 19 . 1 1 26 26 ASP N N 26 112.782 112.782 115.896 -3.114 19627 7636 1 19 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.609 -0.274 19627 7637 1 19 . 1 1 26 26 ASP CA C 26 55.159 55.159 54.047 1.112 19627 7638 1 19 . 1 1 26 26 ASP CB C 26 39.737 39.737 41.427 -1.690 19627 7639 1 19 . 1 1 27 27 PHE N N 27 118.623 118.623 123.368 -4.745 19627 7640 1 19 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.448 -0.021 19627 7641 1 19 . 1 1 27 27 PHE CA C 27 58.011 58.011 59.646 -1.635 19627 7642 1 19 . 1 1 27 27 PHE CB C 27 40.533 40.533 38.434 2.099 19627 7643 1 19 . 1 1 28 28 VAL N N 28 119.117 119.117 125.612 -6.495 19627 7644 1 19 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.553 -0.053 19627 7645 1 19 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.311 0.589 19627 7646 1 19 . 1 1 28 28 VAL CB C 28 36.175 36.175 34.825 1.351 19627 7647 1 19 . 1 1 29 29 THR N N 29 124.304 124.304 120.587 3.717 19627 7648 1 19 . 1 1 29 29 THR HA H 29 5.212 5.212 5.426 -0.214 19627 7649 1 19 . 1 1 29 29 THR CA C 29 62.051 62.051 61.129 0.922 19627 7650 1 19 . 1 1 29 29 THR CB C 29 70.541 70.541 71.974 -1.433 19627 7651 1 19 . 1 1 30 30 CYS N N 30 123.969 123.969 122.690 1.279 19627 7652 1 19 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.668 -0.087 19627 7653 1 19 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.856 -0.790 19627 7654 1 19 . 1 1 30 30 CYS CB C 30 31.010 31.010 29.131 1.879 19627 7655 1 19 . 1 1 31 31 TYR N N 31 125.131 125.131 126.659 -1.528 19627 7656 1 19 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.916 0.249 19627 7657 1 19 . 1 1 31 31 TYR CA C 31 57.270 57.270 56.308 0.962 19627 7658 1 19 . 1 1 31 31 TYR CB C 31 43.631 43.631 39.210 4.421 19627 7659 1 19 . 1 1 32 32 THR N N 32 118.682 118.682 120.137 -1.455 19627 7660 1 19 . 1 1 32 32 THR HA H 32 5.122 5.122 4.827 0.295 19627 7661 1 19 . 1 1 32 32 THR CA C 32 61.828 61.828 61.409 0.419 19627 7662 1 19 . 1 1 32 32 THR CB C 32 70.848 70.848 70.134 0.714 19627 7663 1 19 . 1 1 33 33 PHE N N 33 123.161 123.161 124.884 -1.723 19627 7664 1 19 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.718 0.126 19627 7665 1 19 . 1 1 33 33 PHE CA C 33 57.983 57.983 56.669 1.314 19627 7666 1 19 . 1 1 33 33 PHE CB C 33 40.905 40.905 40.839 0.066 19627 7667 1 19 . 1 1 34 34 ASN N N 34 119.699 119.699 117.474 2.225 19627 7668 1 19 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.976 0.379 19627 7669 1 19 . 1 1 34 34 ASN CA C 34 52.483 52.483 51.892 0.591 19627 7670 1 19 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.623 -0.180 19627 7671 1 19 . 1 1 35 35 ALA N N 35 128.044 128.044 120.854 7.190 19627 7672 1 19 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.383 -0.216 19627 7673 1 19 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.398 0.416 19627 7674 1 19 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.197 -0.792 19627 7675 1 19 . 1 1 36 36 ASP N N 36 116.944 116.944 113.727 3.217 19627 7676 1 19 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.834 -0.397 19627 7677 1 19 . 1 1 36 36 ASP CA C 36 53.395 53.395 55.052 -1.657 19627 7678 1 19 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.620 -2.108 19627 7679 1 19 . 1 1 37 37 LYS N N 37 108.202 108.202 119.383 -11.181 19627 7680 1 19 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.413 -1.149 19627 7681 1 19 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.842 1.232 19627 7682 1 19 . 1 1 37 37 LYS CB C 37 27.597 27.597 33.275 -5.678 19627 7683 1 19 . 1 1 38 38 THR N N 38 107.877 107.877 110.097 -2.220 19627 7684 1 19 . 1 1 38 38 THR HA H 38 5.403 5.403 4.914 0.489 19627 7685 1 19 . 1 1 38 38 THR CA C 38 61.011 61.011 60.828 0.183 19627 7686 1 19 . 1 1 38 38 THR CB C 38 72.829 72.829 71.396 1.433 19627 7687 1 19 . 1 1 39 39 TYR N N 39 117.837 117.837 120.208 -2.371 19627 7688 1 19 . 1 1 39 39 TYR HA H 39 5.714 5.714 4.553 1.161 19627 7689 1 19 . 1 1 39 39 TYR CA C 39 55.742 55.742 56.084 -0.342 19627 7690 1 19 . 1 1 39 39 TYR CB C 39 43.579 43.579 39.435 4.144 19627 7691 1 19 . 1 1 40 40 GLU N N 40 118.677 118.677 119.188 -0.511 19627 7692 1 19 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.019 0.234 19627 7693 1 19 . 1 1 40 40 GLU CA C 40 54.059 54.059 55.815 -1.756 19627 7694 1 19 . 1 1 40 40 GLU CB C 40 34.955 34.955 32.722 2.233 19627 7695 1 19 . 1 1 41 41 VAL N N 41 121.838 121.838 119.123 2.715 19627 7696 1 19 . 1 1 41 41 VAL HA H 41 5.159 5.159 5.414 -0.255 19627 7697 1 19 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.060 0.480 19627 7698 1 19 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.716 -0.392 19627 7699 1 19 . 1 1 42 42 TYR N N 42 126.740 126.740 122.492 4.248 19627 7700 1 19 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.910 -0.095 19627 7701 1 19 . 1 1 42 42 TYR CA C 42 56.841 56.841 58.323 -1.482 19627 7702 1 19 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.517 1.776 19627 7703 1 19 . 1 1 43 43 THR N N 43 122.111 122.111 122.277 -0.166 19627 7704 1 19 . 1 1 43 43 THR HA H 43 5.126 5.126 5.120 0.006 19627 7705 1 19 . 1 1 43 43 THR CA C 43 60.915 60.915 62.126 -1.211 19627 7706 1 19 . 1 1 43 43 THR CB C 43 70.667 70.667 69.682 0.985 19627 7707 1 19 . 1 1 44 44 GLY N N 44 112.123 112.123 116.278 -4.155 19627 7708 1 19 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.543 -0.505 19627 7709 1 19 . 1 1 45 45 SER N N 45 118.181 118.181 120.935 -2.754 19627 7710 1 19 . 1 1 45 45 SER HA H 45 4.736 4.736 5.174 -0.438 19627 7711 1 19 . 1 1 45 45 SER CA C 45 55.721 55.721 55.270 0.451 19627 7712 1 19 . 1 1 45 45 SER CB C 45 64.234 64.234 64.416 -0.182 19627 7713 1 19 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.385 -0.107 19627 7714 1 19 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.862 0.040 19627 7715 1 19 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.117 -0.017 19627 7716 1 19 . 1 1 47 47 LEU N N 47 115.053 115.053 116.826 -1.773 19627 7717 1 19 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.553 -0.277 19627 7718 1 19 . 1 1 47 47 LEU CA C 47 54.820 54.820 55.479 -0.659 19627 7719 1 19 . 1 1 47 47 LEU CB C 47 42.497 42.497 43.050 -0.553 19627 7720 1 19 . 1 1 48 48 SER N N 48 114.930 114.930 111.639 3.291 19627 7721 1 19 . 1 1 48 48 SER HA H 48 4.418 4.418 4.439 -0.021 19627 7722 1 19 . 1 1 48 48 SER CA C 48 57.896 57.896 57.482 0.414 19627 7723 1 19 . 1 1 48 48 SER CB C 48 64.328 64.328 64.066 0.262 19627 7724 1 19 . 1 1 49 49 ASN N N 49 121.801 121.801 118.307 3.494 19627 7725 1 19 . 1 1 49 49 ASN HA H 49 4.683 4.683 3.389 1.294 19627 7726 1 19 . 1 1 49 49 ASN CA C 49 53.247 53.247 52.568 0.680 19627 7727 1 19 . 1 1 49 49 ASN CB C 49 39.147 39.147 38.878 0.269 19627 7728 1 19 . 1 1 50 50 GLY N N 50 108.685 108.685 109.581 -0.896 19627 7729 1 19 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.517 -0.468 19627 7730 1 19 . 1 1 51 51 VAL N N 51 121.162 121.162 120.830 0.332 19627 7731 1 19 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.523 -0.129 19627 7732 1 19 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.034 0.624 19627 7733 1 19 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.972 0.512 19627 7734 1 19 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.788 -0.127 19627 7735 1 19 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.225 0.668 19627 7736 1 19 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.968 -0.072 19627 7737 1 19 . 1 1 53 53 PHE N N 53 123.537 123.537 122.577 0.960 19627 7738 1 19 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.277 0.301 19627 7739 1 19 . 1 1 53 53 PHE CA C 53 57.762 57.762 57.819 -0.057 19627 7740 1 19 . 1 1 53 53 PHE CB C 53 40.652 40.652 39.797 0.855 19627 7741 1 19 . 1 1 54 54 ARG N N 54 124.570 124.570 128.617 -4.047 19627 7742 1 19 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.724 0.170 19627 7743 1 19 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.145 0.457 19627 7744 1 19 . 1 1 54 54 ARG CB C 54 33.401 33.401 31.521 1.880 19627 7745 1 19 . 1 1 55 55 GLY N N 55 107.998 107.998 109.740 -1.742 19627 7746 1 19 . 1 1 55 55 GLY CA C 55 45.542 45.542 43.405 2.137 19627 7747 1 19 . 1 1 56 56 THR N N 56 114.021 114.021 114.742 -0.721 19627 7748 1 19 . 1 1 56 56 THR HA H 56 5.777 5.777 5.015 0.762 19627 7749 1 19 . 1 1 56 56 THR CA C 56 60.409 60.409 61.168 -0.759 19627 7750 1 19 . 1 1 56 56 THR CB C 56 72.641 72.641 71.592 1.049 19627 7751 1 19 . 1 1 57 57 TYR N N 57 115.684 115.684 123.121 -7.437 19627 7752 1 19 . 1 1 57 57 TYR HA H 57 6.256 6.256 6.058 0.198 19627 7753 1 19 . 1 1 57 57 TYR CA C 57 55.645 55.645 54.986 0.659 19627 7754 1 19 . 1 1 57 57 TYR CB C 57 43.352 43.352 41.570 1.782 19627 7755 1 19 . 1 1 58 58 ILE N N 58 118.048 118.048 119.622 -1.574 19627 7756 1 19 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.073 0.282 19627 7757 1 19 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.317 -0.308 19627 7758 1 19 . 1 1 58 58 ILE CB C 58 42.925 42.925 42.116 0.809 19627 7759 1 19 . 1 1 59 59 ILE N N 59 124.887 124.887 122.841 2.046 19627 7760 1 19 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.474 0.530 19627 7761 1 19 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.594 -1.319 19627 7762 1 19 . 1 1 59 59 ILE CB C 59 40.709 40.709 37.093 3.616 19627 7763 1 19 . 1 1 60 60 SER N N 60 122.768 122.768 120.867 1.901 19627 7764 1 19 . 1 1 60 60 SER HA H 60 4.835 4.835 4.508 0.327 19627 7765 1 19 . 1 1 60 60 SER CA C 60 55.735 55.735 57.780 -2.045 19627 7766 1 19 . 1 1 60 60 SER CB C 60 63.250 63.250 64.256 -1.006 19627 7767 1 19 . 1 1 61 61 LEU N N 61 129.303 129.303 123.430 5.873 19627 7768 1 19 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.170 -0.324 19627 7769 1 19 . 1 1 61 61 LEU CA C 61 58.659 58.659 56.670 1.989 19627 7770 1 19 . 1 1 61 61 LEU CB C 61 41.962 41.962 42.184 -0.222 19627 7771 1 19 . 1 1 62 62 ASP N N 62 118.454 118.454 118.203 0.251 19627 7772 1 19 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.391 -0.088 19627 7773 1 19 . 1 1 62 62 ASP CA C 62 57.114 57.114 56.766 0.348 19627 7774 1 19 . 1 1 62 62 ASP CB C 62 40.178 40.178 40.898 -0.720 19627 7775 1 19 . 1 1 63 63 GLU N N 63 115.083 115.083 115.562 -0.479 19627 7776 1 19 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.338 -0.107 19627 7777 1 19 . 1 1 63 63 GLU CA C 63 55.915 55.915 55.524 0.391 19627 7778 1 19 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.772 1.626 19627 7779 1 19 . 1 1 64 64 LYS N N 64 117.578 117.578 116.721 0.857 19627 7780 1 19 . 1 1 65 65 LEU N N 65 119.527 119.527 120.684 -1.157 19627 7781 1 19 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.328 0.822 19627 7782 1 19 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.709 -0.354 19627 7783 1 19 . 1 1 65 65 LEU CB C 65 47.627 47.627 43.440 4.188 19627 7784 1 19 . 1 1 66 66 ILE N N 66 123.527 123.527 127.637 -4.110 19627 7785 1 19 . 1 1 66 66 ILE HA H 66 5.003 5.003 5.014 -0.011 19627 7786 1 19 . 1 1 66 66 ILE CA C 66 58.348 58.348 59.251 -0.903 19627 7787 1 19 . 1 1 66 66 ILE CB C 66 42.093 42.093 40.754 1.339 19627 7788 1 19 . 1 1 67 67 LYS N N 67 125.168 125.168 128.103 -2.935 19627 7789 1 19 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.686 -0.279 19627 7790 1 19 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.461 0.821 19627 7791 1 19 . 1 1 67 67 LYS CB C 67 36.248 36.248 35.546 0.702 19627 7792 1 19 . 1 1 68 68 LEU N N 68 123.218 123.218 123.737 -0.519 19627 7793 1 19 . 1 1 68 68 LEU HA H 68 4.798 4.798 5.093 -0.295 19627 7794 1 19 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.233 1.597 19627 7795 1 19 . 1 1 68 68 LEU CB C 68 40.826 40.826 41.077 -0.251 19627 7796 1 19 . 1 1 69 69 TYR N N 69 119.751 119.751 123.089 -3.338 19627 7797 1 19 . 1 1 69 69 TYR HA H 69 5.424 5.424 4.591 0.833 19627 7798 1 19 . 1 1 69 69 TYR CA C 69 57.166 57.166 58.126 -0.960 19627 7799 1 19 . 1 1 69 69 TYR CB C 69 42.319 42.319 40.941 1.378 19627 7800 1 19 . 1 1 70 70 ASP N N 70 120.335 120.335 118.306 2.029 19627 7801 1 19 . 1 1 70 70 ASP HA H 70 5.042 5.042 4.647 0.395 19627 7802 1 19 . 1 1 70 70 ASP CA C 70 52.428 52.428 52.657 -0.229 19627 7803 1 19 . 1 1 70 70 ASP CB C 70 42.210 42.210 43.417 -1.207 19627 7804 1 19 . 1 1 71 71 LYS N N 71 117.975 117.975 117.788 0.187 19627 7805 1 19 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.097 0.108 19627 7806 1 19 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.770 -0.582 19627 7807 1 19 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.866 0.357 19627 7808 1 19 . 1 1 72 72 GLU N N 72 119.779 119.779 118.314 1.465 19627 7809 1 19 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.473 -0.197 19627 7810 1 19 . 1 1 72 72 GLU CA C 72 55.823 55.823 55.983 -0.160 19627 7811 1 19 . 1 1 72 72 GLU CB C 72 29.639 29.639 30.139 -0.500 19627 7812 1 19 . 1 1 73 73 GLU N N 73 112.572 112.572 116.439 -3.867 19627 7813 1 19 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.205 -0.599 19627 7814 1 19 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.762 0.329 19627 7815 1 19 . 1 1 73 73 GLU CB C 73 26.900 26.900 26.980 -0.080 19627 7816 1 19 . 1 1 74 74 HIS N N 74 118.561 118.561 114.112 4.449 19627 7817 1 19 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.751 0.121 19627 7818 1 19 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.714 -0.223 19627 7819 1 19 . 1 1 74 74 HIS CB C 74 28.650 28.650 30.023 -1.373 19627 7820 1 19 . 1 1 75 75 CYS N N 75 126.459 126.459 116.585 9.874 19627 7821 1 19 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.930 0.120 19627 7822 1 19 . 1 1 75 75 CYS CA C 75 58.539 58.539 58.320 0.219 19627 7823 1 19 . 1 1 75 75 CYS CB C 75 26.305 26.305 24.545 1.760 19627 7824 1 19 . 1 1 76 76 THR N N 76 123.868 123.868 116.858 7.010 19627 7825 1 19 . 1 1 76 76 THR HA H 76 4.115 4.115 4.108 0.007 19627 7826 1 19 . 1 1 76 76 THR CA C 76 62.701 62.701 65.161 -2.460 19627 7827 1 19 . 1 1 76 76 THR CB C 76 68.451 68.451 69.720 -1.269 19627 7828 1 19 . 1 1 77 77 GLU N N 77 120.185 120.185 117.487 2.698 19627 7829 1 19 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.483 -0.308 19627 7830 1 19 . 1 1 77 77 GLU CA C 77 54.697 54.697 54.956 -0.259 19627 7831 1 19 . 1 1 77 77 GLU CB C 77 34.100 34.100 32.796 1.304 19627 7832 1 19 . 1 1 78 78 GLN N N 78 118.401 118.401 119.557 -1.156 19627 7833 1 19 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.841 -0.144 19627 7834 1 19 . 1 1 78 78 GLN CA C 78 53.933 53.933 53.726 0.207 19627 7835 1 19 . 1 1 78 78 GLN CB C 78 31.842 31.842 31.646 0.196 19627 7836 1 19 . 1 1 79 79 TYR N N 79 116.069 116.069 116.406 -0.337 19627 7837 1 19 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.980 -0.130 19627 7838 1 19 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.351 -0.352 19627 7839 1 19 . 1 1 79 79 TYR CB C 79 41.813 41.813 42.143 -0.330 19627 7840 1 19 . 1 1 80 80 HIS N N 80 119.747 119.747 120.732 -0.985 19627 7841 1 19 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.547 0.626 19627 7842 1 19 . 1 1 80 80 HIS CA C 80 55.121 55.121 55.452 -0.331 19627 7843 1 19 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.409 -1.689 19627 7844 1 19 . 1 1 81 81 ILE N N 81 126.268 126.268 127.024 -0.756 19627 7845 1 19 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.740 0.480 19627 7846 1 19 . 1 1 81 81 ILE CA C 81 61.739 61.739 61.456 0.283 19627 7847 1 19 . 1 1 81 81 ILE CB C 81 38.354 38.354 35.668 2.686 19627 7848 1 19 . 1 1 82 82 LEU N N 82 127.552 127.552 125.387 2.165 19627 7849 1 19 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.140 -0.046 19627 7850 1 19 . 1 1 82 82 LEU CA C 82 55.392 55.392 56.773 -1.381 19627 7851 1 19 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.373 0.742 19627 7852 1 19 . 1 1 83 83 LYS N N 83 115.809 115.809 117.912 -2.103 19627 7853 1 19 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.406 -0.206 19627 7854 1 19 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.149 0.544 19627 7855 1 19 . 1 1 83 83 LYS CB C 83 36.922 36.922 33.053 3.869 19627 7856 1 19 . 1 1 84 84 LEU N N 84 129.953 129.953 128.392 1.561 19627 7857 1 19 . 1 1 84 84 LEU HA H 84 4.834 4.834 4.771 0.063 19627 7858 1 19 . 1 1 84 84 LEU CA C 84 53.614 53.614 54.419 -0.805 19627 7859 1 19 . 1 1 84 84 LEU CB C 84 43.767 43.767 44.108 -0.341 19627 7860 1 19 . 1 1 85 85 THR N N 85 119.648 119.648 115.973 3.675 19627 7861 1 19 . 1 1 85 85 THR HA H 85 4.897 4.897 4.930 -0.033 19627 7862 1 19 . 1 1 85 85 THR CA C 85 58.717 58.717 59.797 -1.079 19627 7863 1 19 . 1 1 85 85 THR CB C 85 72.356 72.356 70.959 1.397 19627 7864 1 19 . 1 1 86 86 SER N N 86 108.790 108.790 114.792 -6.002 19627 7865 1 19 . 1 1 86 86 SER HA H 86 4.165 4.165 4.305 -0.140 19627 7866 1 19 . 1 1 86 86 SER CA C 86 60.370 60.370 60.450 -0.080 19627 7867 1 19 . 1 1 86 86 SER CB C 86 63.258 63.258 62.789 0.469 19627 7868 1 19 . 1 1 87 87 LYS N N 87 116.161 116.161 115.572 0.589 19627 7869 1 19 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.420 0.094 19627 7870 1 19 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.476 0.003 19627 7871 1 19 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.669 1.695 19627 7872 1 19 . 1 1 88 88 GLU N N 88 119.485 119.485 120.820 -1.335 19627 7873 1 19 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.815 0.648 19627 7874 1 19 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.756 -0.161 19627 7875 1 19 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.741 1.860 19627 7876 1 19 . 1 1 89 89 MET N N 89 122.595 122.595 124.696 -2.101 19627 7877 1 19 . 1 1 89 89 MET HA H 89 4.940 4.940 4.872 0.068 19627 7878 1 19 . 1 1 89 89 MET CA C 89 53.785 53.785 54.258 -0.473 19627 7879 1 19 . 1 1 89 89 MET CB C 89 36.210 36.210 36.565 -0.355 19627 7880 1 19 . 1 1 90 90 LYS N N 90 124.449 124.449 122.659 1.790 19627 7881 1 19 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.737 0.058 19627 7882 1 19 . 1 1 90 90 LYS CA C 90 55.353 55.353 53.842 1.511 19627 7883 1 19 . 1 1 90 90 LYS CB C 90 36.763 36.763 30.896 5.867 19627 7884 1 19 . 1 1 91 91 TRP N N 91 125.457 125.457 123.969 1.488 19627 7885 1 19 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.677 0.837 19627 7886 1 19 . 1 1 91 91 TRP CA C 91 52.510 52.510 57.157 -4.647 19627 7887 1 19 . 1 1 91 91 TRP CB C 91 34.752 34.752 28.817 5.935 19627 7888 1 19 . 1 1 92 92 GLU N N 92 123.111 123.111 126.507 -3.396 19627 7889 1 19 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.377 0.498 19627 7890 1 19 . 1 1 92 92 GLU C C 92 176.109 176.109 177.201 -1.092 19627 7891 1 19 . 1 1 92 92 GLU CA C 92 53.610 53.610 55.742 -2.132 19627 7892 1 19 . 1 1 92 92 GLU CB C 92 33.384 33.384 32.374 1.010 19627 7893 1 19 . 1 1 93 93 ASN N N 93 126.757 126.757 125.638 1.119 19627 7894 1 19 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.637 -0.234 19627 7895 1 19 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.476 -1.484 19627 7896 1 19 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.566 -0.963 19627 7897 1 19 . 1 1 94 94 ALA N N 94 130.509 130.509 120.590 9.919 19627 7898 1 19 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.162 0.043 19627 7899 1 19 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.256 -2.194 19627 7900 1 19 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.397 1.613 19627 7901 1 19 . 1 1 95 95 SER N N 95 114.601 114.601 113.372 1.229 19627 7902 1 19 . 1 1 95 95 SER HA H 95 4.545 4.545 4.833 -0.288 19627 7903 1 19 . 1 1 95 95 SER CA C 95 54.544 54.544 55.592 -1.048 19627 7904 1 19 . 1 1 95 95 SER CB C 95 63.081 63.081 64.268 -1.187 19627 7905 1 19 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.284 0.020 19627 7906 1 19 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.183 0.406 19627 7907 1 19 . 1 1 96 96 PRO CB C 96 32.258 32.258 32.123 0.135 19627 7908 1 19 . 1 1 97 97 LYS N N 97 118.117 118.117 118.411 -0.294 19627 7909 1 19 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.063 0.085 19627 7910 1 19 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.724 -1.277 19627 7911 1 19 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.451 0.540 19627 7912 1 19 . 1 1 98 98 ASP N N 98 119.820 119.820 116.544 3.276 19627 7913 1 19 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.665 -0.340 19627 7914 1 19 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.317 0.281 19627 7915 1 19 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.955 -1.173 19627 7916 1 19 . 1 1 99 99 GLY N N 99 107.593 107.593 107.158 0.435 19627 7917 1 19 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.773 0.864 19627 7918 1 19 . 1 1 100 100 ASN N N 100 119.859 119.859 119.435 0.424 19627 7919 1 19 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.652 0.068 19627 7920 1 19 . 1 1 100 100 ASN C C 100 175.832 175.832 176.187 -0.355 19627 7921 1 19 . 1 1 100 100 ASN CA C 100 53.853 53.853 54.023 -0.170 19627 7922 1 19 . 1 1 100 100 ASN CB C 100 38.772 38.772 38.697 0.075 19627 7923 1 19 . 1 1 101 101 SER N N 101 117.380 117.380 114.904 2.476 19627 7924 1 19 . 1 1 101 101 SER HA H 101 4.533 4.533 4.557 -0.024 19627 7925 1 19 . 1 1 101 101 SER C C 101 175.075 175.075 174.251 0.824 19627 7926 1 19 . 1 1 101 101 SER CA C 101 57.658 57.658 58.172 -0.514 19627 7927 1 19 . 1 1 101 101 SER CB C 101 64.927 64.927 64.525 0.402 19627 7928 1 19 . 1 1 102 102 ASP N N 102 123.193 123.193 116.661 6.532 19627 7929 1 19 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.185 -0.579 19627 7930 1 19 . 1 1 102 102 ASP C C 102 177.297 177.297 176.011 1.286 19627 7931 1 19 . 1 1 102 102 ASP CA C 102 55.558 55.558 53.050 2.508 19627 7932 1 19 . 1 1 102 102 ASP CB C 102 40.668 40.668 41.541 -0.873 19627 7933 1 19 . 1 1 103 103 LYS N N 103 117.188 117.188 119.167 -1.979 19627 7934 1 19 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.335 1.062 19627 7935 1 19 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.496 0.065 19627 7936 1 19 . 1 1 103 103 LYS CB C 103 39.951 39.951 33.408 6.543 19627 7937 1 19 . 1 1 104 104 ARG N N 104 122.088 122.088 120.385 1.703 19627 7938 1 19 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.721 0.087 19627 7939 1 19 . 1 1 104 104 ARG C C 104 174.517 174.517 175.641 -1.124 19627 7940 1 19 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.462 1.222 19627 7941 1 19 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.193 2.756 19627 7942 1 19 . 1 1 105 105 LEU N N 105 126.226 126.226 125.252 0.974 19627 7943 1 19 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.292 1.197 19627 7944 1 19 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.436 -0.294 19627 7945 1 19 . 1 1 105 105 LEU CB C 105 45.852 45.852 41.169 4.683 19627 7946 1 19 . 1 1 106 106 GLU N N 106 120.408 120.408 124.991 -4.583 19627 7947 1 19 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.700 0.645 19627 7948 1 19 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.056 -0.808 19627 7949 1 19 . 1 1 106 106 GLU CB C 106 34.552 34.552 29.610 4.942 19627 7950 1 19 . 1 1 107 107 LYS N N 107 127.864 127.864 117.944 9.920 19627 7951 1 19 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.444 0.030 19627 7952 1 19 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.644 -0.740 19627 7953 1 19 . 1 1 107 107 LYS CB C 107 32.373 32.373 31.789 0.584 19627 7954 1 19 . 1 1 108 108 TYR N N 108 127.870 127.870 122.985 4.885 19627 7955 1 19 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.540 -0.099 19627 7956 1 19 . 1 1 108 108 TYR CA C 108 57.519 57.519 58.528 -1.009 19627 7957 1 19 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.548 1.575 19627 7958 1 19 . 1 1 109 109 ASN N N 109 123.534 123.534 124.551 -1.017 19627 7959 1 19 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.697 -0.121 19627 7960 1 19 . 1 1 109 109 ASN CA C 109 53.020 53.020 52.557 0.463 19627 7961 1 19 . 1 1 109 109 ASN CB C 109 40.596 40.596 41.249 -0.653 19627 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 102 3.780 -0.397 3.777 19627 2 1 1 "Average Difference" HA 102 0.341 -0.023 0.342 19627 3 1 1 "Average Difference" C 6 1.459 -0.306 1.563 19627 4 1 1 "Average Difference" CA 107 1.063 0.201 1.049 19627 5 1 1 "Average Difference" CB 102 1.787 -0.513 1.721 19627 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19627 7 1 2 "Average Difference" N 102 4.069 -0.629 4.040 19627 8 1 2 "Average Difference" HA 102 0.388 -0.035 0.389 19627 9 1 2 "Average Difference" C 6 1.234 0.071 1.349 19627 10 1 2 "Average Difference" CA 107 1.098 0.135 1.095 19627 11 1 2 "Average Difference" CB 102 1.785 -0.490 1.725 19627 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19627 13 1 3 "Average Difference" N 102 4.362 -0.302 4.373 19627 14 1 3 "Average Difference" HA 102 0.382 -0.027 0.383 19627 15 1 3 "Average Difference" C 6 1.174 -0.107 1.280 19627 16 1 3 "Average Difference" CA 107 1.143 0.177 1.135 19627 17 1 3 "Average Difference" CB 102 1.833 -0.603 1.739 19627 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19627 19 1 4 "Average Difference" N 102 3.666 -0.605 3.634 19627 20 1 4 "Average Difference" HA 102 0.346 -0.020 0.347 19627 21 1 4 "Average Difference" C 6 1.202 0.196 1.299 19627 22 1 4 "Average Difference" CA 107 1.110 0.181 1.100 19627 23 1 4 "Average Difference" CB 102 1.801 -0.445 1.754 19627 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19627 25 1 5 "Average Difference" N 102 3.921 -0.663 3.883 19627 26 1 5 "Average Difference" HA 102 0.373 -0.049 0.372 19627 27 1 5 "Average Difference" C 6 1.313 -0.159 1.428 19627 28 1 5 "Average Difference" CA 107 1.067 0.260 1.039 19627 29 1 5 "Average Difference" CB 102 1.958 -0.568 1.883 19627 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19627 31 1 6 "Average Difference" N 102 3.642 -0.830 3.563 19627 32 1 6 "Average Difference" HA 102 0.378 -0.021 0.379 19627 33 1 6 "Average Difference" C 6 1.400 -0.082 1.531 19627 34 1 6 "Average Difference" CA 107 1.057 0.087 1.058 19627 35 1 6 "Average Difference" CB 102 1.895 -0.419 1.857 19627 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19627 37 1 7 "Average Difference" N 102 3.598 -0.349 3.599 19627 38 1 7 "Average Difference" HA 102 0.370 -0.018 0.372 19627 39 1 7 "Average Difference" C 6 1.507 -0.394 1.594 19627 40 1 7 "Average Difference" CA 107 1.074 0.182 1.063 19627 41 1 7 "Average Difference" CB 102 1.887 -0.441 1.843 19627 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19627 43 1 8 "Average Difference" N 102 3.854 -0.355 3.856 19627 44 1 8 "Average Difference" HA 102 0.402 -0.031 0.403 19627 45 1 8 "Average Difference" C 6 1.575 -0.580 1.604 19627 46 1 8 "Average Difference" CA 107 1.125 0.157 1.120 19627 47 1 8 "Average Difference" CB 102 1.801 -0.415 1.761 19627 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19627 49 1 9 "Average Difference" N 102 3.865 -0.670 3.825 19627 50 1 9 "Average Difference" HA 102 0.366 -0.022 0.367 19627 51 1 9 "Average Difference" C 6 1.493 -0.187 1.623 19627 52 1 9 "Average Difference" CA 107 1.143 0.113 1.143 19627 53 1 9 "Average Difference" CB 102 1.901 -0.555 1.827 19627 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19627 55 1 10 "Average Difference" N 102 4.064 -1.048 3.946 19627 56 1 10 "Average Difference" HA 102 0.381 -0.044 0.381 19627 57 1 10 "Average Difference" C 6 1.252 -0.125 1.364 19627 58 1 10 "Average Difference" CA 107 1.040 0.289 1.004 19627 59 1 10 "Average Difference" CB 102 1.749 -0.535 1.674 19627 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19627 61 1 11 "Average Difference" N 102 3.880 -0.756 3.825 19627 62 1 11 "Average Difference" HA 102 0.375 -0.020 0.377 19627 63 1 11 "Average Difference" C 6 1.462 -0.221 1.583 19627 64 1 11 "Average Difference" CA 107 1.186 0.107 1.186 19627 65 1 11 "Average Difference" CB 102 1.791 -0.412 1.751 19627 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 19627 67 1 12 "Average Difference" N 102 4.044 -0.792 3.986 19627 68 1 12 "Average Difference" HA 102 0.386 -0.046 0.385 19627 69 1 12 "Average Difference" C 6 1.207 0.075 1.320 19627 70 1 12 "Average Difference" CA 107 1.063 0.124 1.061 19627 71 1 12 "Average Difference" CB 102 1.961 -0.575 1.884 19627 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 19627 73 1 13 "Average Difference" N 102 3.965 -0.505 3.952 19627 74 1 13 "Average Difference" HA 102 0.402 -0.063 0.399 19627 75 1 13 "Average Difference" C 6 0.893 0.145 0.965 19627 76 1 13 "Average Difference" CA 107 1.215 0.295 1.184 19627 77 1 13 "Average Difference" CB 102 1.975 -0.699 1.856 19627 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 19627 79 1 14 "Average Difference" N 102 3.957 -0.557 3.937 19627 80 1 14 "Average Difference" HA 102 0.399 -0.029 0.400 19627 81 1 14 "Average Difference" C 6 1.403 -0.606 1.386 19627 82 1 14 "Average Difference" CA 107 1.199 0.128 1.197 19627 83 1 14 "Average Difference" CB 102 1.788 -0.479 1.732 19627 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 19627 85 1 15 "Average Difference" N 102 3.986 -0.620 3.957 19627 86 1 15 "Average Difference" HA 102 0.432 -0.059 0.431 19627 87 1 15 "Average Difference" C 6 1.408 -0.056 1.541 19627 88 1 15 "Average Difference" CA 107 1.261 0.275 1.237 19627 89 1 15 "Average Difference" CB 102 2.024 -0.590 1.946 19627 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 19627 91 1 16 "Average Difference" N 102 4.286 -0.696 4.251 19627 92 1 16 "Average Difference" HA 102 0.456 -0.056 0.455 19627 93 1 16 "Average Difference" C 6 1.337 -0.378 1.404 19627 94 1 16 "Average Difference" CA 107 1.165 0.232 1.147 19627 95 1 16 "Average Difference" CB 102 1.841 -0.529 1.772 19627 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 19627 97 1 17 "Average Difference" N 102 3.859 -0.089 3.877 19627 98 1 17 "Average Difference" HA 102 0.354 0.005 0.355 19627 99 1 17 "Average Difference" C 6 1.308 -0.267 1.402 19627 100 1 17 "Average Difference" CA 107 1.136 0.117 1.135 19627 101 1 17 "Average Difference" CB 102 1.897 -0.554 1.824 19627 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 19627 103 1 18 "Average Difference" N 102 4.319 -0.923 4.240 19627 104 1 18 "Average Difference" HA 102 0.381 -0.046 0.380 19627 105 1 18 "Average Difference" C 6 1.302 0.058 1.425 19627 106 1 18 "Average Difference" CA 107 1.135 0.178 1.126 19627 107 1 18 "Average Difference" CB 102 1.862 -0.505 1.801 19627 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 19627 109 1 19 "Average Difference" N 102 3.698 -0.335 3.700 19627 110 1 19 "Average Difference" HA 102 0.408 -0.062 0.405 19627 111 1 19 "Average Difference" C 6 0.933 0.169 1.005 19627 112 1 19 "Average Difference" CA 107 1.135 0.160 1.129 19627 113 1 19 "Average Difference" CB 102 2.005 -0.745 1.870 19627 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 19627 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 19627 _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 ASP HA H 2 4.520 4.520 4.592 -0.072 19627 2 1 . 1 1 2 2 ASP CA C 2 55.206 55.206 54.685 0.521 19627 3 1 . 1 1 2 2 ASP CB C 2 41.225 41.225 41.413 -0.188 19627 4 1 . 1 1 3 3 GLU N N 3 119.869 119.869 120.282 -0.413 19627 5 1 . 1 1 3 3 GLU HA H 3 4.199 4.199 4.340 -0.141 19627 6 1 . 1 1 3 3 GLU CA C 3 57.029 57.029 56.691 0.338 19627 7 1 . 1 1 3 3 GLU CB C 3 29.820 29.820 29.469 0.351 19627 8 1 . 1 1 4 4 ASP N N 4 119.650 119.650 120.407 -0.757 19627 9 1 . 1 1 4 4 ASP HA H 4 4.440 4.440 4.697 -0.257 19627 10 1 . 1 1 4 4 ASP CA C 4 55.118 55.118 54.282 0.836 19627 11 1 . 1 1 4 4 ASP CB C 4 41.245 41.245 41.254 -0.009 19627 12 1 . 1 1 5 5 ASP N N 5 119.339 119.339 118.783 0.556 19627 13 1 . 1 1 5 5 ASP HA H 5 4.630 4.630 4.680 -0.050 19627 14 1 . 1 1 5 5 ASP CA C 5 53.761 53.761 54.251 -0.490 19627 15 1 . 1 1 5 5 ASP CB C 5 40.866 40.866 41.125 -0.259 19627 16 1 . 1 1 6 6 LYS N N 6 121.265 121.265 118.443 2.822 19627 17 1 . 1 1 6 6 LYS HA H 6 4.217 4.217 4.497 -0.280 19627 18 1 . 1 1 6 6 LYS CA C 6 56.109 56.109 55.277 0.832 19627 19 1 . 1 1 6 6 LYS CB C 6 33.916 33.916 34.920 -1.004 19627 20 1 . 1 1 7 7 VAL N N 7 122.743 122.743 122.549 0.194 19627 21 1 . 1 1 7 7 VAL HA H 7 4.051 4.051 4.262 -0.211 19627 22 1 . 1 1 7 7 VAL CA C 7 62.504 62.504 62.233 0.272 19627 23 1 . 1 1 7 7 VAL CB C 7 33.738 33.738 32.312 1.426 19627 24 1 . 1 1 8 8 GLU N N 8 129.254 129.254 127.162 2.092 19627 25 1 . 1 1 8 8 GLU HA H 8 4.604 4.604 4.557 0.047 19627 26 1 . 1 1 8 8 GLU CA C 8 54.083 54.083 55.235 -1.152 19627 27 1 . 1 1 8 8 GLU CB C 8 30.047 30.047 31.733 -1.686 19627 28 1 . 1 1 9 9 ILE N N 9 123.662 123.662 123.653 0.009 19627 29 1 . 1 1 9 9 ILE HA H 9 3.819 3.819 4.081 -0.262 19627 30 1 . 1 1 9 9 ILE CA C 9 63.426 63.426 64.915 -1.489 19627 31 1 . 1 1 9 9 ILE CB C 9 34.840 34.840 35.977 -1.137 19627 32 1 . 1 1 10 10 PRO HA H 10 4.338 4.338 4.377 -0.039 19627 33 1 . 1 1 10 10 PRO CA C 10 65.786 65.786 64.745 1.041 19627 34 1 . 1 1 10 10 PRO CB C 10 31.859 31.859 31.263 0.596 19627 35 1 . 1 1 11 11 GLN N N 11 112.602 112.602 117.513 -4.911 19627 36 1 . 1 1 11 11 GLN HA H 11 4.222 4.222 4.262 -0.040 19627 37 1 . 1 1 11 11 GLN C C 11 176.461 176.461 178.005 -1.544 19627 38 1 . 1 1 11 11 GLN CA C 11 55.805 55.805 57.678 -1.873 19627 39 1 . 1 1 11 11 GLN CB C 11 27.861 27.861 28.168 -0.307 19627 40 1 . 1 1 12 12 LEU N N 12 119.555 119.555 121.669 -2.114 19627 41 1 . 1 1 12 12 LEU HA H 12 3.908 3.908 4.211 -0.303 19627 42 1 . 1 1 12 12 LEU CA C 12 58.115 58.115 57.789 0.326 19627 43 1 . 1 1 12 12 LEU CB C 12 43.303 43.303 41.914 1.389 19627 44 1 . 1 1 13 13 VAL N N 13 112.720 112.720 116.092 -3.372 19627 45 1 . 1 1 13 13 VAL HA H 13 3.752 3.752 4.016 -0.264 19627 46 1 . 1 1 13 13 VAL CA C 13 64.717 64.717 63.941 0.776 19627 47 1 . 1 1 13 13 VAL CB C 13 32.029 32.029 30.952 1.077 19627 48 1 . 1 1 14 14 GLY N N 14 116.042 116.042 107.678 8.364 19627 49 1 . 1 1 14 14 GLY CA C 14 43.751 43.751 44.537 -0.786 19627 50 1 . 1 1 15 15 LYS N N 15 120.788 120.788 118.830 1.958 19627 51 1 . 1 1 15 15 LYS HA H 15 5.185 5.185 4.593 0.592 19627 52 1 . 1 1 15 15 LYS CA C 15 55.797 55.797 55.960 -0.163 19627 53 1 . 1 1 15 15 LYS CB C 15 35.159 35.159 34.174 0.985 19627 54 1 . 1 1 16 16 TRP N N 16 123.983 123.983 121.146 2.837 19627 55 1 . 1 1 16 16 TRP HA H 16 4.915 4.915 4.921 -0.006 19627 56 1 . 1 1 16 16 TRP CA C 16 55.800 55.800 56.580 -0.780 19627 57 1 . 1 1 16 16 TRP CB C 16 34.179 34.179 32.307 1.872 19627 58 1 . 1 1 17 17 ILE N N 17 122.229 122.229 123.139 -0.910 19627 59 1 . 1 1 17 17 ILE HA H 17 4.892 4.892 4.663 0.229 19627 60 1 . 1 1 17 17 ILE CA C 17 58.782 58.782 60.131 -1.349 19627 61 1 . 1 1 17 17 ILE CB C 17 40.584 40.584 40.768 -0.184 19627 62 1 . 1 1 18 18 VAL N N 18 126.326 126.326 126.695 -0.369 19627 63 1 . 1 1 18 18 VAL HA H 18 3.841 3.841 4.073 -0.232 19627 64 1 . 1 1 18 18 VAL CA C 18 64.643 64.643 62.875 1.768 19627 65 1 . 1 1 18 18 VAL CB C 18 31.568 31.568 31.150 0.418 19627 66 1 . 1 1 19 19 LYS N N 19 129.061 129.061 120.727 8.334 19627 67 1 . 1 1 19 19 LYS HA H 19 4.456 4.456 4.226 0.230 19627 68 1 . 1 1 19 19 LYS CA C 19 54.524 54.524 56.640 -2.116 19627 69 1 . 1 1 19 19 LYS CB C 19 33.173 33.173 31.287 1.886 19627 70 1 . 1 1 20 20 GLU N N 20 118.305 118.305 119.491 -1.186 19627 71 1 . 1 1 20 20 GLU HA H 20 4.390 4.390 4.656 -0.266 19627 72 1 . 1 1 20 20 GLU CA C 20 54.118 54.118 53.877 0.241 19627 73 1 . 1 1 20 20 GLU CB C 20 33.513 33.513 31.840 1.673 19627 74 1 . 1 1 21 21 PRO HA H 21 4.607 4.607 4.423 0.184 19627 75 1 . 1 1 21 21 PRO CA C 21 62.630 62.630 62.779 -0.150 19627 76 1 . 1 1 21 21 PRO CB C 21 34.790 34.790 32.435 2.355 19627 77 1 . 1 1 22 22 VAL N N 22 119.998 119.998 119.682 0.316 19627 78 1 . 1 1 22 22 VAL HA H 22 4.017 4.017 4.008 0.009 19627 79 1 . 1 1 22 22 VAL CA C 22 62.374 62.374 62.335 0.039 19627 80 1 . 1 1 22 22 VAL CB C 22 32.937 32.937 32.532 0.405 19627 81 1 . 1 1 23 23 LEU N N 23 128.343 128.343 125.535 2.808 19627 82 1 . 1 1 23 23 LEU HA H 23 4.447 4.447 4.582 -0.135 19627 83 1 . 1 1 23 23 LEU CA C 23 54.190 54.190 54.396 -0.206 19627 84 1 . 1 1 23 23 LEU CB C 23 42.828 42.828 42.755 0.073 19627 85 1 . 1 1 24 24 GLN N N 24 117.971 117.971 118.751 -0.780 19627 86 1 . 1 1 24 24 GLN HA H 24 4.260 4.260 4.368 -0.108 19627 87 1 . 1 1 24 24 GLN CA C 24 55.598 55.598 55.856 -0.258 19627 88 1 . 1 1 24 24 GLN CB C 24 30.104 30.104 29.689 0.414 19627 89 1 . 1 1 25 25 ASP N N 25 117.501 117.501 118.672 -1.171 19627 90 1 . 1 1 25 25 ASP HA H 25 4.206 4.206 4.314 -0.108 19627 91 1 . 1 1 25 25 ASP CA C 25 55.769 55.769 55.908 -0.139 19627 92 1 . 1 1 25 25 ASP CB C 25 39.962 39.962 40.253 -0.291 19627 93 1 . 1 1 26 26 ASP N N 26 112.782 112.782 115.869 -3.087 19627 94 1 . 1 1 26 26 ASP HA H 26 4.335 4.335 4.387 -0.052 19627 95 1 . 1 1 26 26 ASP CA C 26 55.159 55.159 54.879 0.280 19627 96 1 . 1 1 26 26 ASP CB C 26 39.737 39.737 40.416 -0.679 19627 97 1 . 1 1 27 27 PHE N N 27 118.623 118.623 120.594 -1.971 19627 98 1 . 1 1 27 27 PHE HA H 27 4.427 4.427 4.436 -0.009 19627 99 1 . 1 1 27 27 PHE CA C 27 58.011 58.011 58.953 -0.942 19627 100 1 . 1 1 27 27 PHE CB C 27 40.533 40.533 39.387 1.147 19627 101 1 . 1 1 28 28 VAL N N 28 119.117 119.117 119.273 -0.156 19627 102 1 . 1 1 28 28 VAL HA H 28 4.500 4.500 4.514 -0.014 19627 103 1 . 1 1 28 28 VAL CA C 28 60.900 60.900 60.348 0.552 19627 104 1 . 1 1 28 28 VAL CB C 28 36.175 36.175 34.761 1.414 19627 105 1 . 1 1 29 29 THR N N 29 124.304 124.304 117.615 6.689 19627 106 1 . 1 1 29 29 THR HA H 29 5.212 5.212 4.931 0.281 19627 107 1 . 1 1 29 29 THR CA C 29 62.051 62.051 61.550 0.500 19627 108 1 . 1 1 29 29 THR CB C 29 70.541 70.541 71.543 -1.002 19627 109 1 . 1 1 30 30 CYS N N 30 123.969 123.969 121.867 2.102 19627 110 1 . 1 1 30 30 CYS HA H 30 5.581 5.581 5.343 0.238 19627 111 1 . 1 1 30 30 CYS CA C 30 56.066 56.066 56.830 -0.764 19627 112 1 . 1 1 30 30 CYS CB C 30 31.010 31.010 29.647 1.363 19627 113 1 . 1 1 31 31 TYR N N 31 125.131 125.131 123.943 1.188 19627 114 1 . 1 1 31 31 TYR HA H 31 5.165 5.165 4.917 0.248 19627 115 1 . 1 1 31 31 TYR CA C 31 57.270 57.270 57.534 -0.264 19627 116 1 . 1 1 31 31 TYR CB C 31 43.631 43.631 39.679 3.952 19627 117 1 . 1 1 32 32 THR N N 32 118.682 118.682 119.811 -1.129 19627 118 1 . 1 1 32 32 THR HA H 32 5.122 5.122 4.786 0.336 19627 119 1 . 1 1 32 32 THR CA C 32 61.828 61.828 61.602 0.226 19627 120 1 . 1 1 32 32 THR CB C 32 70.848 70.848 69.972 0.876 19627 121 1 . 1 1 33 33 PHE N N 33 123.161 123.161 125.567 -2.406 19627 122 1 . 1 1 33 33 PHE HA H 33 4.844 4.844 4.695 0.149 19627 123 1 . 1 1 33 33 PHE CA C 33 57.983 57.983 57.774 0.209 19627 124 1 . 1 1 33 33 PHE CB C 33 40.905 40.905 40.274 0.631 19627 125 1 . 1 1 34 34 ASN N N 34 119.699 119.699 119.122 0.577 19627 126 1 . 1 1 34 34 ASN HA H 34 5.355 5.355 4.988 0.367 19627 127 1 . 1 1 34 34 ASN CA C 34 52.483 52.483 52.203 0.280 19627 128 1 . 1 1 34 34 ASN CB C 34 41.443 41.443 41.272 0.171 19627 129 1 . 1 1 35 35 ALA N N 35 128.044 128.044 121.948 6.096 19627 130 1 . 1 1 35 35 ALA HA H 35 4.167 4.167 4.209 -0.042 19627 131 1 . 1 1 35 35 ALA CA C 35 54.814 54.814 54.666 0.148 19627 132 1 . 1 1 35 35 ALA CB C 35 18.405 18.405 19.039 -0.634 19627 133 1 . 1 1 36 36 ASP N N 36 116.944 116.944 113.131 3.813 19627 134 1 . 1 1 36 36 ASP HA H 36 4.437 4.437 4.743 -0.306 19627 135 1 . 1 1 36 36 ASP CA C 36 53.395 53.395 54.491 -1.096 19627 136 1 . 1 1 36 36 ASP CB C 36 39.512 39.512 41.044 -1.532 19627 137 1 . 1 1 37 37 LYS N N 37 108.202 108.202 119.599 -11.397 19627 138 1 . 1 1 37 37 LYS HA H 37 3.264 3.264 4.381 -1.117 19627 139 1 . 1 1 37 37 LYS CA C 37 59.074 59.074 57.524 1.550 19627 140 1 . 1 1 37 37 LYS CB C 37 27.597 27.597 33.425 -5.829 19627 141 1 . 1 1 38 38 THR N N 38 107.877 107.877 109.951 -2.074 19627 142 1 . 1 1 38 38 THR HA H 38 5.403 5.403 4.853 0.550 19627 143 1 . 1 1 38 38 THR CA C 38 61.011 61.011 60.871 0.140 19627 144 1 . 1 1 38 38 THR CB C 38 72.829 72.829 70.618 2.211 19627 145 1 . 1 1 39 39 TYR N N 39 117.837 117.837 118.388 -0.551 19627 146 1 . 1 1 39 39 TYR HA H 39 5.714 5.714 5.263 0.451 19627 147 1 . 1 1 39 39 TYR CA C 39 55.742 55.742 55.510 0.232 19627 148 1 . 1 1 39 39 TYR CB C 39 43.579 43.579 41.104 2.475 19627 149 1 . 1 1 40 40 GLU N N 40 118.677 118.677 118.811 -0.134 19627 150 1 . 1 1 40 40 GLU HA H 40 5.253 5.253 5.065 0.188 19627 151 1 . 1 1 40 40 GLU CA C 40 54.059 54.059 55.054 -0.995 19627 152 1 . 1 1 40 40 GLU CB C 40 34.955 34.955 33.991 0.964 19627 153 1 . 1 1 41 41 VAL N N 41 121.838 121.838 120.711 1.127 19627 154 1 . 1 1 41 41 VAL HA H 41 5.159 5.159 4.857 0.302 19627 155 1 . 1 1 41 41 VAL CA C 41 59.540 59.540 59.864 -0.324 19627 156 1 . 1 1 41 41 VAL CB C 41 35.324 35.324 35.721 -0.397 19627 157 1 . 1 1 42 42 TYR N N 42 126.740 126.740 121.081 5.659 19627 158 1 . 1 1 42 42 TYR HA H 42 4.815 4.815 4.938 -0.123 19627 159 1 . 1 1 42 42 TYR CA C 42 56.841 56.841 57.096 -0.255 19627 160 1 . 1 1 42 42 TYR CB C 42 42.293 42.293 40.448 1.845 19627 161 1 . 1 1 43 43 THR N N 43 122.111 122.111 118.764 3.347 19627 162 1 . 1 1 43 43 THR HA H 43 5.126 5.126 4.901 0.225 19627 163 1 . 1 1 43 43 THR CA C 43 60.915 60.915 60.951 -0.036 19627 164 1 . 1 1 43 43 THR CB C 43 70.667 70.667 71.073 -0.406 19627 165 1 . 1 1 44 44 GLY N N 44 112.123 112.123 114.250 -2.127 19627 166 1 . 1 1 44 44 GLY CA C 44 45.038 45.038 45.131 -0.093 19627 167 1 . 1 1 45 45 SER N N 45 118.181 118.181 117.139 1.042 19627 168 1 . 1 1 45 45 SER HA H 45 4.736 4.736 4.604 0.132 19627 169 1 . 1 1 45 45 SER CA C 45 55.721 55.721 57.100 -1.379 19627 170 1 . 1 1 45 45 SER CB C 45 64.234 64.234 63.794 0.440 19627 171 1 . 1 1 46 46 PRO HA H 46 4.278 4.278 4.449 -0.171 19627 172 1 . 1 1 46 46 PRO CA C 46 64.903 64.903 64.322 0.580 19627 173 1 . 1 1 46 46 PRO CB C 46 32.100 32.100 32.120 -0.020 19627 174 1 . 1 1 47 47 LEU N N 47 115.053 115.053 117.759 -2.706 19627 175 1 . 1 1 47 47 LEU HA H 47 4.276 4.276 4.448 -0.172 19627 176 1 . 1 1 47 47 LEU CA C 47 54.820 54.820 55.494 -0.674 19627 177 1 . 1 1 47 47 LEU CB C 47 42.497 42.497 42.615 -0.118 19627 178 1 . 1 1 48 48 SER N N 48 114.930 114.930 112.594 2.336 19627 179 1 . 1 1 48 48 SER HA H 48 4.418 4.418 4.542 -0.124 19627 180 1 . 1 1 48 48 SER CA C 48 57.896 57.896 57.732 0.164 19627 181 1 . 1 1 48 48 SER CB C 48 64.328 64.328 64.486 -0.158 19627 182 1 . 1 1 49 49 ASN N N 49 121.801 121.801 119.894 1.907 19627 183 1 . 1 1 49 49 ASN HA H 49 4.683 4.683 4.324 0.359 19627 184 1 . 1 1 49 49 ASN CA C 49 53.247 53.247 53.376 -0.129 19627 185 1 . 1 1 49 49 ASN CB C 49 39.147 39.147 37.916 1.231 19627 186 1 . 1 1 50 50 GLY N N 50 108.685 108.685 109.242 -0.557 19627 187 1 . 1 1 50 50 GLY CA C 50 45.049 45.049 45.994 -0.945 19627 188 1 . 1 1 51 51 VAL N N 51 121.162 121.162 121.468 -0.306 19627 189 1 . 1 1 51 51 VAL HA H 51 4.394 4.394 4.420 -0.026 19627 190 1 . 1 1 51 51 VAL CA C 51 59.658 59.658 59.388 0.270 19627 191 1 . 1 1 51 51 VAL CB C 51 33.484 33.484 32.823 0.661 19627 192 1 . 1 1 52 52 PRO HA H 52 4.661 4.661 4.643 0.018 19627 193 1 . 1 1 52 52 PRO CA C 52 62.893 62.893 62.244 0.649 19627 194 1 . 1 1 52 52 PRO CB C 52 32.896 32.896 32.613 0.283 19627 195 1 . 1 1 53 53 PHE N N 53 123.537 123.537 121.316 2.221 19627 196 1 . 1 1 53 53 PHE HA H 53 4.578 4.578 4.568 0.010 19627 197 1 . 1 1 53 53 PHE CA C 53 57.762 57.762 57.349 0.413 19627 198 1 . 1 1 53 53 PHE CB C 53 40.652 40.652 41.575 -0.923 19627 199 1 . 1 1 54 54 ARG N N 54 124.570 124.570 122.764 1.806 19627 200 1 . 1 1 54 54 ARG HA H 54 4.894 4.894 4.769 0.125 19627 201 1 . 1 1 54 54 ARG CA C 54 54.601 54.601 54.157 0.444 19627 202 1 . 1 1 54 54 ARG CB C 54 33.401 33.401 32.754 0.647 19627 203 1 . 1 1 55 55 GLY N N 55 107.998 107.998 108.844 -0.846 19627 204 1 . 1 1 55 55 GLY CA C 55 45.542 45.542 44.882 0.660 19627 205 1 . 1 1 56 56 THR N N 56 114.021 114.021 115.020 -0.999 19627 206 1 . 1 1 56 56 THR HA H 56 5.777 5.777 5.051 0.726 19627 207 1 . 1 1 56 56 THR CA C 56 60.409 60.409 60.726 -0.317 19627 208 1 . 1 1 56 56 THR CB C 56 72.641 72.641 71.428 1.213 19627 209 1 . 1 1 57 57 TYR N N 57 115.684 115.684 122.242 -6.558 19627 210 1 . 1 1 57 57 TYR HA H 57 6.256 6.256 5.482 0.774 19627 211 1 . 1 1 57 57 TYR CA C 57 55.645 55.645 55.971 -0.326 19627 212 1 . 1 1 57 57 TYR CB C 57 43.352 43.352 40.860 2.492 19627 213 1 . 1 1 58 58 ILE N N 58 118.048 118.048 120.735 -2.687 19627 214 1 . 1 1 58 58 ILE HA H 58 4.355 4.355 4.312 0.043 19627 215 1 . 1 1 58 58 ILE CA C 58 60.009 60.009 60.158 -0.149 19627 216 1 . 1 1 58 58 ILE CB C 58 42.925 42.925 41.994 0.931 19627 217 1 . 1 1 59 59 ILE N N 59 124.887 124.887 123.891 0.996 19627 218 1 . 1 1 59 59 ILE HA H 59 5.004 5.004 4.726 0.278 19627 219 1 . 1 1 59 59 ILE CA C 59 58.275 58.275 59.572 -1.297 19627 220 1 . 1 1 59 59 ILE CB C 59 40.709 40.709 40.028 0.681 19627 221 1 . 1 1 60 60 SER N N 60 122.768 122.768 118.730 4.038 19627 222 1 . 1 1 60 60 SER HA H 60 4.835 4.835 4.634 0.201 19627 223 1 . 1 1 60 60 SER CA C 60 55.735 55.735 57.730 -1.995 19627 224 1 . 1 1 60 60 SER CB C 60 63.250 63.250 64.611 -1.361 19627 225 1 . 1 1 61 61 LEU N N 61 129.303 129.303 123.436 5.867 19627 226 1 . 1 1 61 61 LEU HA H 61 3.846 3.846 4.277 -0.431 19627 227 1 . 1 1 61 61 LEU CA C 61 58.659 58.659 56.811 1.848 19627 228 1 . 1 1 61 61 LEU CB C 61 41.962 41.962 41.931 0.031 19627 229 1 . 1 1 62 62 ASP N N 62 118.454 118.454 118.817 -0.363 19627 230 1 . 1 1 62 62 ASP HA H 62 4.303 4.303 4.531 -0.228 19627 231 1 . 1 1 62 62 ASP CA C 62 57.114 57.114 55.936 1.178 19627 232 1 . 1 1 62 62 ASP CB C 62 40.178 40.178 41.146 -0.968 19627 233 1 . 1 1 63 63 GLU N N 63 115.083 115.083 117.757 -2.674 19627 234 1 . 1 1 63 63 GLU HA H 63 4.231 4.231 4.331 -0.100 19627 235 1 . 1 1 63 63 GLU CA C 63 55.915 55.915 56.309 -0.394 19627 236 1 . 1 1 63 63 GLU CB C 63 31.398 31.398 29.898 1.500 19627 237 1 . 1 1 64 64 LYS N N 64 117.578 117.578 119.897 -2.319 19627 238 1 . 1 1 65 65 LEU N N 65 119.527 119.527 118.166 1.361 19627 239 1 . 1 1 65 65 LEU HA H 65 5.150 5.150 4.592 0.558 19627 240 1 . 1 1 65 65 LEU CA C 65 53.355 53.355 53.567 -0.212 19627 241 1 . 1 1 65 65 LEU CB C 65 47.627 47.627 45.121 2.506 19627 242 1 . 1 1 66 66 ILE N N 66 123.527 123.527 122.472 1.055 19627 243 1 . 1 1 66 66 ILE HA H 66 5.003 5.003 4.872 0.131 19627 244 1 . 1 1 66 66 ILE CA C 66 58.348 58.348 59.797 -1.449 19627 245 1 . 1 1 66 66 ILE CB C 66 42.093 42.093 40.419 1.674 19627 246 1 . 1 1 67 67 LYS N N 67 125.168 125.168 127.307 -2.139 19627 247 1 . 1 1 67 67 LYS HA H 67 4.407 4.407 4.946 -0.539 19627 248 1 . 1 1 67 67 LYS CA C 67 55.282 55.282 54.351 0.931 19627 249 1 . 1 1 67 67 LYS CB C 67 36.248 36.248 36.297 -0.049 19627 250 1 . 1 1 68 68 LEU N N 68 123.218 123.218 121.651 1.567 19627 251 1 . 1 1 68 68 LEU HA H 68 4.798 4.798 4.833 -0.035 19627 252 1 . 1 1 68 68 LEU CA C 68 54.830 54.830 53.762 1.068 19627 253 1 . 1 1 68 68 LEU CB C 68 40.826 40.826 43.501 -2.675 19627 254 1 . 1 1 69 69 TYR N N 69 119.751 119.751 122.053 -2.302 19627 255 1 . 1 1 69 69 TYR HA H 69 5.424 5.424 5.089 0.335 19627 256 1 . 1 1 69 69 TYR CA C 69 57.166 57.166 57.059 0.107 19627 257 1 . 1 1 69 69 TYR CB C 69 42.319 42.319 41.499 0.820 19627 258 1 . 1 1 70 70 ASP N N 70 120.335 120.335 122.124 -1.789 19627 259 1 . 1 1 70 70 ASP HA H 70 5.042 5.042 5.043 -0.001 19627 260 1 . 1 1 70 70 ASP CA C 70 52.428 52.428 52.960 -0.532 19627 261 1 . 1 1 70 70 ASP CB C 70 42.210 42.210 42.786 -0.576 19627 262 1 . 1 1 71 71 LYS N N 71 117.975 117.975 118.969 -0.994 19627 263 1 . 1 1 71 71 LYS HA H 71 4.205 4.205 4.098 0.107 19627 264 1 . 1 1 71 71 LYS CA C 71 58.189 58.189 58.851 -0.662 19627 265 1 . 1 1 71 71 LYS CB C 71 32.224 32.224 31.948 0.276 19627 266 1 . 1 1 72 72 GLU N N 72 119.779 119.779 118.162 1.617 19627 267 1 . 1 1 72 72 GLU HA H 72 4.276 4.276 4.393 -0.117 19627 268 1 . 1 1 72 72 GLU CA C 72 55.823 55.823 56.141 -0.318 19627 269 1 . 1 1 72 72 GLU CB C 72 29.639 29.639 29.587 0.052 19627 270 1 . 1 1 73 73 GLU N N 73 112.572 112.572 116.349 -3.777 19627 271 1 . 1 1 73 73 GLU HA H 73 3.606 3.606 4.183 -0.577 19627 272 1 . 1 1 73 73 GLU CA C 73 58.091 58.091 57.547 0.544 19627 273 1 . 1 1 73 73 GLU CB C 73 26.900 26.900 27.633 -0.733 19627 274 1 . 1 1 74 74 HIS N N 74 118.561 118.561 114.689 3.872 19627 275 1 . 1 1 74 74 HIS HA H 74 4.872 4.872 4.705 0.167 19627 276 1 . 1 1 74 74 HIS CA C 74 54.491 54.491 54.704 -0.213 19627 277 1 . 1 1 74 74 HIS CB C 74 28.650 28.650 30.106 -1.456 19627 278 1 . 1 1 75 75 CYS N N 75 126.459 126.459 119.642 6.817 19627 279 1 . 1 1 75 75 CYS HA H 75 4.050 4.050 3.910 0.140 19627 280 1 . 1 1 75 75 CYS CA C 75 58.539 58.539 58.496 0.043 19627 281 1 . 1 1 75 75 CYS CB C 75 26.305 26.305 27.263 -0.959 19627 282 1 . 1 1 76 76 THR N N 76 123.868 123.868 117.020 6.848 19627 283 1 . 1 1 76 76 THR HA H 76 4.115 4.115 4.281 -0.166 19627 284 1 . 1 1 76 76 THR CA C 76 62.701 62.701 63.347 -0.646 19627 285 1 . 1 1 76 76 THR CB C 76 68.451 68.451 69.775 -1.324 19627 286 1 . 1 1 77 77 GLU N N 77 120.185 120.185 119.371 0.814 19627 287 1 . 1 1 77 77 GLU HA H 77 4.175 4.175 4.559 -0.384 19627 288 1 . 1 1 77 77 GLU CA C 77 54.697 54.697 55.086 -0.389 19627 289 1 . 1 1 77 77 GLU CB C 77 34.100 34.100 33.386 0.714 19627 290 1 . 1 1 78 78 GLN N N 78 118.401 118.401 118.137 0.264 19627 291 1 . 1 1 78 78 GLN HA H 78 4.697 4.697 4.931 -0.234 19627 292 1 . 1 1 78 78 GLN CA C 78 53.933 53.933 54.201 -0.268 19627 293 1 . 1 1 78 78 GLN CB C 78 31.842 31.842 31.784 0.058 19627 294 1 . 1 1 79 79 TYR N N 79 116.069 116.069 118.033 -1.964 19627 295 1 . 1 1 79 79 TYR HA H 79 4.850 4.850 4.982 -0.132 19627 296 1 . 1 1 79 79 TYR CA C 79 55.999 55.999 56.051 -0.052 19627 297 1 . 1 1 79 79 TYR CB C 79 41.813 41.813 41.166 0.647 19627 298 1 . 1 1 80 80 HIS N N 80 119.747 119.747 120.512 -0.765 19627 299 1 . 1 1 80 80 HIS HA H 80 5.173 5.173 4.545 0.628 19627 300 1 . 1 1 80 80 HIS CA C 80 55.121 55.121 56.074 -0.953 19627 301 1 . 1 1 80 80 HIS CB C 80 29.720 29.720 31.214 -1.494 19627 302 1 . 1 1 81 81 ILE N N 81 126.268 126.268 125.128 1.140 19627 303 1 . 1 1 81 81 ILE HA H 81 4.220 4.220 3.642 0.578 19627 304 1 . 1 1 81 81 ILE CA C 81 61.739 61.739 61.984 -0.245 19627 305 1 . 1 1 81 81 ILE CB C 81 38.354 38.354 36.859 1.495 19627 306 1 . 1 1 82 82 LEU N N 82 127.552 127.552 127.783 -0.231 19627 307 1 . 1 1 82 82 LEU HA H 82 4.094 4.094 4.288 -0.194 19627 308 1 . 1 1 82 82 LEU CA C 82 55.392 55.392 56.626 -1.234 19627 309 1 . 1 1 82 82 LEU CB C 82 43.115 43.115 42.645 0.470 19627 310 1 . 1 1 83 83 LYS N N 83 115.809 115.809 115.601 0.208 19627 311 1 . 1 1 83 83 LYS HA H 83 4.200 4.200 4.592 -0.392 19627 312 1 . 1 1 83 83 LYS CA C 83 55.693 55.693 55.097 0.596 19627 313 1 . 1 1 83 83 LYS CB C 83 36.922 36.922 36.431 0.491 19627 314 1 . 1 1 84 84 LEU N N 84 129.953 129.953 122.871 7.082 19627 315 1 . 1 1 84 84 LEU HA H 84 4.834 4.834 5.157 -0.323 19627 316 1 . 1 1 84 84 LEU CA C 84 53.614 53.614 53.965 -0.351 19627 317 1 . 1 1 84 84 LEU CB C 84 43.767 43.767 45.638 -1.871 19627 318 1 . 1 1 85 85 THR N N 85 119.648 119.648 114.129 5.519 19627 319 1 . 1 1 85 85 THR HA H 85 4.897 4.897 5.023 -0.126 19627 320 1 . 1 1 85 85 THR CA C 85 58.717 58.717 59.995 -1.278 19627 321 1 . 1 1 85 85 THR CB C 85 72.356 72.356 71.442 0.914 19627 322 1 . 1 1 86 86 SER N N 86 108.790 108.790 115.151 -6.361 19627 323 1 . 1 1 86 86 SER HA H 86 4.165 4.165 4.297 -0.132 19627 324 1 . 1 1 86 86 SER CA C 86 60.370 60.370 61.291 -0.921 19627 325 1 . 1 1 86 86 SER CB C 86 63.258 63.258 63.216 0.042 19627 326 1 . 1 1 87 87 LYS N N 87 116.161 116.161 114.846 1.315 19627 327 1 . 1 1 87 87 LYS HA H 87 4.514 4.514 4.413 0.101 19627 328 1 . 1 1 87 87 LYS CA C 87 56.479 56.479 56.010 0.469 19627 329 1 . 1 1 87 87 LYS CB C 87 36.364 36.364 34.013 2.351 19627 330 1 . 1 1 88 88 GLU N N 88 119.485 119.485 120.707 -1.222 19627 331 1 . 1 1 88 88 GLU HA H 88 5.463 5.463 4.873 0.590 19627 332 1 . 1 1 88 88 GLU CA C 88 55.595 55.595 55.900 -0.305 19627 333 1 . 1 1 88 88 GLU CB C 88 35.601 35.601 33.590 2.010 19627 334 1 . 1 1 89 89 MET N N 89 122.595 122.595 125.503 -2.908 19627 335 1 . 1 1 89 89 MET HA H 89 4.940 4.940 4.954 -0.014 19627 336 1 . 1 1 89 89 MET CA C 89 53.785 53.785 54.450 -0.665 19627 337 1 . 1 1 89 89 MET CB C 89 36.210 36.210 36.399 -0.189 19627 338 1 . 1 1 90 90 LYS N N 90 124.449 124.449 125.770 -1.321 19627 339 1 . 1 1 90 90 LYS HA H 90 4.795 4.795 4.774 0.021 19627 340 1 . 1 1 90 90 LYS CA C 90 55.353 55.353 55.451 -0.098 19627 341 1 . 1 1 90 90 LYS CB C 90 36.763 36.763 33.213 3.550 19627 342 1 . 1 1 91 91 TRP N N 91 125.457 125.457 126.501 -1.044 19627 343 1 . 1 1 91 91 TRP HA H 91 5.514 5.514 4.901 0.613 19627 344 1 . 1 1 91 91 TRP CA C 91 52.510 52.510 56.014 -3.504 19627 345 1 . 1 1 91 91 TRP CB C 91 34.752 34.752 30.095 4.657 19627 346 1 . 1 1 92 92 GLU N N 92 123.111 123.111 125.526 -2.415 19627 347 1 . 1 1 92 92 GLU HA H 92 4.875 4.875 4.396 0.479 19627 348 1 . 1 1 92 92 GLU C C 92 176.109 176.109 176.912 -0.803 19627 349 1 . 1 1 92 92 GLU CA C 92 53.610 53.610 55.735 -2.125 19627 350 1 . 1 1 92 92 GLU CB C 92 33.384 33.384 32.175 1.209 19627 351 1 . 1 1 93 93 ASN N N 93 126.757 126.757 123.690 3.067 19627 352 1 . 1 1 93 93 ASN HA H 93 4.403 4.403 4.470 -0.067 19627 353 1 . 1 1 93 93 ASN CA C 93 54.992 54.992 56.632 -1.640 19627 354 1 . 1 1 93 93 ASN CB C 93 37.603 37.603 38.572 -0.969 19627 355 1 . 1 1 94 94 ALA N N 94 130.509 130.509 120.225 10.284 19627 356 1 . 1 1 94 94 ALA HA H 94 4.205 4.205 4.036 0.169 19627 357 1 . 1 1 94 94 ALA CA C 94 52.062 52.062 54.050 -1.988 19627 358 1 . 1 1 94 94 ALA CB C 94 19.010 19.010 17.228 1.782 19627 359 1 . 1 1 95 95 SER N N 95 114.601 114.601 114.695 -0.094 19627 360 1 . 1 1 95 95 SER HA H 95 4.545 4.545 4.870 -0.325 19627 361 1 . 1 1 95 95 SER CA C 95 54.544 54.544 54.802 -0.258 19627 362 1 . 1 1 95 95 SER CB C 95 63.081 63.081 63.679 -0.598 19627 363 1 . 1 1 96 96 PRO HA H 96 4.304 4.304 4.425 -0.121 19627 364 1 . 1 1 96 96 PRO CA C 96 64.589 64.589 64.222 0.367 19627 365 1 . 1 1 96 96 PRO CB C 96 32.258 32.258 31.929 0.329 19627 366 1 . 1 1 97 97 LYS N N 97 118.117 118.117 117.743 0.374 19627 367 1 . 1 1 97 97 LYS HA H 97 4.148 4.148 4.142 0.006 19627 368 1 . 1 1 97 97 LYS CA C 97 57.447 57.447 58.285 -0.838 19627 369 1 . 1 1 97 97 LYS CB C 97 31.991 31.991 31.755 0.236 19627 370 1 . 1 1 98 98 ASP N N 98 119.820 119.820 117.970 1.850 19627 371 1 . 1 1 98 98 ASP HA H 98 4.325 4.325 4.577 -0.252 19627 372 1 . 1 1 98 98 ASP CA C 98 54.598 54.598 54.682 -0.084 19627 373 1 . 1 1 98 98 ASP CB C 98 40.782 40.782 41.784 -1.002 19627 374 1 . 1 1 99 99 GLY N N 99 107.593 107.593 107.760 -0.167 19627 375 1 . 1 1 99 99 GLY CA C 99 45.636 45.636 44.929 0.707 19627 376 1 . 1 1 100 100 ASN N N 100 119.859 119.859 119.623 0.236 19627 377 1 . 1 1 100 100 ASN HA H 100 4.720 4.720 4.915 -0.195 19627 378 1 . 1 1 100 100 ASN C C 100 175.832 175.832 174.562 1.270 19627 379 1 . 1 1 100 100 ASN CA C 100 53.853 53.853 52.703 1.150 19627 380 1 . 1 1 100 100 ASN CB C 100 38.772 38.772 40.648 -1.876 19627 381 1 . 1 1 101 101 SER N N 101 117.380 117.380 114.792 2.588 19627 382 1 . 1 1 101 101 SER HA H 101 4.533 4.533 4.699 -0.166 19627 383 1 . 1 1 101 101 SER C C 101 175.075 175.075 173.670 1.405 19627 384 1 . 1 1 101 101 SER CA C 101 57.658 57.658 57.839 -0.181 19627 385 1 . 1 1 101 101 SER CB C 101 64.927 64.927 65.484 -0.557 19627 386 1 . 1 1 102 102 ASP N N 102 123.193 123.193 121.490 1.703 19627 387 1 . 1 1 102 102 ASP HA H 102 4.606 4.606 5.126 -0.520 19627 388 1 . 1 1 102 102 ASP C C 102 177.297 177.297 175.976 1.321 19627 389 1 . 1 1 102 102 ASP CA C 102 55.558 55.558 53.030 2.528 19627 390 1 . 1 1 102 102 ASP CB C 102 40.668 40.668 40.795 -0.127 19627 391 1 . 1 1 103 103 LYS N N 103 117.188 117.188 120.041 -2.853 19627 392 1 . 1 1 103 103 LYS HA H 103 5.397 5.397 4.662 0.735 19627 393 1 . 1 1 103 103 LYS CA C 103 55.561 55.561 55.259 0.302 19627 394 1 . 1 1 103 103 LYS CB C 103 39.951 39.951 34.140 5.811 19627 395 1 . 1 1 104 104 ARG N N 104 122.088 122.088 119.252 2.836 19627 396 1 . 1 1 104 104 ARG HA H 104 4.808 4.808 4.838 -0.030 19627 397 1 . 1 1 104 104 ARG C C 104 174.517 174.517 175.296 -0.779 19627 398 1 . 1 1 104 104 ARG CA C 104 55.684 55.684 54.835 0.849 19627 399 1 . 1 1 104 104 ARG CB C 104 33.949 33.949 31.247 2.702 19627 400 1 . 1 1 105 105 LEU N N 105 126.226 126.226 125.495 0.731 19627 401 1 . 1 1 105 105 LEU HA H 105 5.489 5.489 4.492 0.997 19627 402 1 . 1 1 105 105 LEU CA C 105 55.142 55.142 55.347 -0.205 19627 403 1 . 1 1 105 105 LEU CB C 105 45.852 45.852 42.173 3.679 19627 404 1 . 1 1 106 106 GLU N N 106 120.408 120.408 123.759 -3.351 19627 405 1 . 1 1 106 106 GLU HA H 106 5.345 5.345 4.776 0.569 19627 406 1 . 1 1 106 106 GLU CA C 106 54.248 54.248 55.099 -0.850 19627 407 1 . 1 1 106 106 GLU CB C 106 34.552 34.552 30.028 4.524 19627 408 1 . 1 1 107 107 LYS N N 107 127.864 127.864 118.376 9.488 19627 409 1 . 1 1 107 107 LYS HA H 107 3.474 3.474 3.378 0.096 19627 410 1 . 1 1 107 107 LYS CA C 107 56.904 56.904 57.472 -0.568 19627 411 1 . 1 1 107 107 LYS CB C 107 32.373 32.373 32.003 0.370 19627 412 1 . 1 1 108 108 TYR N N 108 127.870 127.870 122.073 5.797 19627 413 1 . 1 1 108 108 TYR HA H 108 4.441 4.441 4.548 -0.107 19627 414 1 . 1 1 108 108 TYR CA C 108 57.519 57.519 57.168 0.351 19627 415 1 . 1 1 108 108 TYR CB C 108 40.123 40.123 38.384 1.739 19627 416 1 . 1 1 109 109 ASN N N 109 123.534 123.534 126.633 -3.099 19627 417 1 . 1 1 109 109 ASN HA H 109 4.576 4.576 4.485 0.091 19627 418 1 . 1 1 109 109 ASN CA C 109 53.020 53.020 53.120 -0.101 19627 419 1 . 1 1 109 109 ASN CB C 109 40.596 40.596 38.162 2.434 19627 stop_ save_