data_25675 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25675 _Entry.PDB_ID 2N4P 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 25675 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 3 3 GLY C C 3 173.761 173.761 173.071 0.690 25675 2 1 1 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.127 0.003 25675 3 1 1 . 1 1 4 4 SER N N 4 115.011 115.011 117.869 -2.858 25675 4 1 1 . 1 1 4 4 SER HA H 4 4.304 4.304 4.591 -0.287 25675 5 1 1 . 1 1 4 4 SER C C 4 174.600 174.600 175.125 -0.525 25675 6 1 1 . 1 1 4 4 SER CA C 4 57.900 57.900 57.648 0.253 25675 7 1 1 . 1 1 4 4 SER CB C 4 63.800 63.800 66.204 -2.404 25675 8 1 1 . 1 1 4 4 SER H H 4 8.185 8.185 8.008 0.177 25675 9 1 1 . 1 1 5 5 HIS N N 5 120.326 120.326 122.547 -2.221 25675 10 1 1 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.448 0.154 25675 11 1 1 . 1 1 5 5 HIS C C 5 174.200 174.200 176.179 -1.979 25675 12 1 1 . 1 1 5 5 HIS CA C 5 55.268 55.268 57.645 -2.377 25675 13 1 1 . 1 1 5 5 HIS CB C 5 29.000 29.000 29.946 -0.946 25675 14 1 1 . 1 1 5 5 HIS H H 5 8.641 8.641 8.709 -0.068 25675 15 1 1 . 1 1 6 6 HIS N N 6 119.478 119.478 116.289 3.189 25675 16 1 1 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.418 0.209 25675 17 1 1 . 1 1 6 6 HIS C C 6 174.100 174.100 175.430 -1.330 25675 18 1 1 . 1 1 6 6 HIS CA C 6 55.268 55.268 57.695 -2.427 25675 19 1 1 . 1 1 6 6 HIS CB C 6 29.300 29.300 29.813 -0.513 25675 20 1 1 . 1 1 6 6 HIS H H 6 8.555 8.555 8.509 0.046 25675 21 1 1 . 1 1 7 7 HIS N N 7 120.507 120.507 119.129 1.378 25675 22 1 1 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.371 0.210 25675 23 1 1 . 1 1 7 7 HIS C C 7 174.100 174.100 174.719 -0.619 25675 24 1 1 . 1 1 7 7 HIS CA C 7 55.268 55.268 56.501 -1.232 25675 25 1 1 . 1 1 7 7 HIS CB C 7 29.300 29.300 29.337 -0.037 25675 26 1 1 . 1 1 7 7 HIS H H 7 8.777 8.777 7.661 1.116 25675 27 1 1 . 1 1 8 8 HIS N N 8 120.616 120.616 124.944 -4.328 25675 28 1 1 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.686 -0.086 25675 29 1 1 . 1 1 8 8 HIS C C 8 174.200 174.200 173.319 0.881 25675 30 1 1 . 1 1 8 8 HIS CA C 8 55.268 55.268 55.837 -0.569 25675 31 1 1 . 1 1 8 8 HIS CB C 8 29.300 29.300 31.783 -2.483 25675 32 1 1 . 1 1 8 8 HIS H H 8 8.777 8.777 8.592 0.185 25675 33 1 1 . 1 1 9 9 HIS N N 9 121.131 121.131 122.918 -1.787 25675 34 1 1 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.637 -0.057 25675 35 1 1 . 1 1 9 9 HIS C C 9 173.990 173.990 173.422 0.568 25675 36 1 1 . 1 1 9 9 HIS CA C 9 55.000 55.000 53.934 1.066 25675 37 1 1 . 1 1 9 9 HIS CB C 9 29.400 29.400 31.423 -2.023 25675 38 1 1 . 1 1 9 9 HIS H H 9 8.785 8.785 7.811 0.974 25675 39 1 1 . 1 1 10 10 HIS N N 10 121.437 121.437 118.414 3.023 25675 40 1 1 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.407 0.187 25675 41 1 1 . 1 1 10 10 HIS C C 10 174.577 174.577 176.297 -1.720 25675 42 1 1 . 1 1 10 10 HIS CA C 10 55.268 55.268 57.413 -2.145 25675 43 1 1 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.371 -1.471 25675 44 1 1 . 1 1 10 10 HIS H H 10 8.769 8.769 8.513 0.256 25675 45 1 1 . 1 1 11 11 GLY N N 11 111.579 111.579 113.745 -2.166 25675 46 1 1 . 1 1 11 11 GLY C C 11 174.184 174.184 174.570 -0.386 25675 47 1 1 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.336 1.004 25675 48 1 1 . 1 1 11 11 GLY H H 11 8.559 8.559 8.353 0.206 25675 49 1 1 . 1 1 12 12 SER N N 12 115.987 115.987 116.177 -0.190 25675 50 1 1 . 1 1 12 12 SER HA H 12 4.407 4.407 4.406 0.001 25675 51 1 1 . 1 1 12 12 SER C C 12 174.817 174.817 174.844 -0.027 25675 52 1 1 . 1 1 12 12 SER CA C 12 58.529 58.529 59.421 -0.892 25675 53 1 1 . 1 1 12 12 SER CB C 12 63.780 63.780 64.171 -0.392 25675 54 1 1 . 1 1 12 12 SER H H 12 8.353 8.353 8.119 0.234 25675 55 1 1 . 1 1 13 13 MET N N 13 121.805 121.805 122.318 -0.513 25675 56 1 1 . 1 1 13 13 MET HA H 13 4.521 4.521 4.734 -0.213 25675 57 1 1 . 1 1 13 13 MET C C 13 176.003 176.003 174.607 1.396 25675 58 1 1 . 1 1 13 13 MET CA C 13 55.503 55.503 54.414 1.089 25675 59 1 1 . 1 1 13 13 MET CB C 13 32.843 32.843 35.026 -2.183 25675 60 1 1 . 1 1 13 13 MET H H 13 8.432 8.432 8.002 0.430 25675 61 1 1 . 1 1 14 14 SER N N 14 116.515 116.515 115.739 0.776 25675 62 1 1 . 1 1 14 14 SER HA H 14 4.265 4.265 4.801 -0.536 25675 63 1 1 . 1 1 14 14 SER C C 14 174.055 174.055 173.586 0.469 25675 64 1 1 . 1 1 14 14 SER H H 14 8.205 8.205 8.374 -0.169 25675 65 1 1 . 1 1 15 15 GLU N N 15 122.455 122.455 125.435 -2.980 25675 66 1 1 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.756 -0.521 25675 67 1 1 . 1 1 15 15 GLU C C 15 174.900 174.900 175.108 -0.208 25675 68 1 1 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.444 0.184 25675 69 1 1 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.913 -1.688 25675 70 1 1 . 1 1 15 15 GLU H H 15 8.292 8.292 8.806 -0.514 25675 71 1 1 . 1 1 16 16 TYR N N 16 118.896 118.896 114.687 4.209 25675 72 1 1 . 1 1 16 16 TYR HA H 16 5.061 5.061 5.028 0.033 25675 73 1 1 . 1 1 16 16 TYR C C 16 174.935 174.935 174.642 0.293 25675 74 1 1 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.622 1.090 25675 75 1 1 . 1 1 16 16 TYR CB C 16 41.507 41.507 41.062 0.445 25675 76 1 1 . 1 1 16 16 TYR H H 16 7.955 7.955 7.922 0.033 25675 77 1 1 . 1 1 17 17 ILE N N 17 115.711 115.711 121.519 -5.808 25675 78 1 1 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.274 0.275 25675 79 1 1 . 1 1 17 17 ILE C C 17 174.747 174.747 174.105 0.642 25675 80 1 1 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.838 -0.396 25675 81 1 1 . 1 1 17 17 ILE CB C 17 40.859 40.859 39.608 1.251 25675 82 1 1 . 1 1 17 17 ILE H H 17 8.890 8.890 7.962 0.928 25675 83 1 1 . 1 1 18 18 ARG N N 18 123.175 123.175 129.295 -6.120 25675 84 1 1 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.427 -0.547 25675 85 1 1 . 1 1 18 18 ARG C C 18 174.988 174.988 175.004 -0.016 25675 86 1 1 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.441 1.403 25675 87 1 1 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.334 0.397 25675 88 1 1 . 1 1 18 18 ARG H H 18 8.636 8.636 8.286 0.350 25675 89 1 1 . 1 1 19 19 VAL N N 19 122.554 122.554 120.362 2.192 25675 90 1 1 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.676 -0.212 25675 91 1 1 . 1 1 19 19 VAL C C 19 173.984 173.984 174.790 -0.806 25675 92 1 1 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.036 0.858 25675 93 1 1 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.465 0.244 25675 94 1 1 . 1 1 19 19 VAL H H 19 8.916 8.916 8.194 0.722 25675 95 1 1 . 1 1 20 20 THR N N 20 118.638 118.638 115.214 3.424 25675 96 1 1 . 1 1 20 20 THR HA H 20 5.081 5.081 4.845 0.236 25675 97 1 1 . 1 1 20 20 THR C C 20 172.312 172.312 174.463 -2.151 25675 98 1 1 . 1 1 20 20 THR CA C 20 57.731 57.731 59.637 -1.906 25675 99 1 1 . 1 1 20 20 THR CB C 20 71.835 71.835 71.207 0.628 25675 100 1 1 . 1 1 20 20 THR H H 20 8.794 8.794 8.117 0.677 25675 101 1 1 . 1 1 21 21 GLU N N 21 124.307 124.307 124.203 0.104 25675 102 1 1 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.436 0.738 25675 103 1 1 . 1 1 21 21 GLU C C 21 175.258 175.258 176.340 -1.082 25675 104 1 1 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.849 -1.949 25675 105 1 1 . 1 1 21 21 GLU CB C 21 28.952 28.952 29.946 -0.994 25675 106 1 1 . 1 1 21 21 GLU H H 21 8.792 8.792 8.767 0.025 25675 107 1 1 . 1 1 22 22 ASP N N 22 117.282 117.282 118.931 -1.649 25675 108 1 1 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.721 -0.117 25675 109 1 1 . 1 1 22 22 ASP C C 22 175.387 175.387 176.232 -0.845 25675 110 1 1 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.364 0.101 25675 111 1 1 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.268 -0.393 25675 112 1 1 . 1 1 22 22 ASP H H 22 7.932 7.932 7.562 0.370 25675 113 1 1 . 1 1 23 23 GLU N N 23 123.785 123.785 119.886 3.899 25675 114 1 1 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.091 -0.153 25675 115 1 1 . 1 1 23 23 GLU C C 23 176.062 176.062 176.790 -0.728 25675 116 1 1 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.494 0.948 25675 117 1 1 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.485 -0.049 25675 118 1 1 . 1 1 23 23 GLU H H 23 9.232 9.232 8.585 0.647 25675 119 1 1 . 1 1 24 24 ASN N N 24 115.807 115.807 118.520 -2.713 25675 120 1 1 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.639 0.049 25675 121 1 1 . 1 1 24 24 ASN C C 24 174.636 174.636 175.603 -0.967 25675 122 1 1 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.613 -0.715 25675 123 1 1 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.368 0.534 25675 124 1 1 . 1 1 24 24 ASN H H 24 8.694 8.694 8.384 0.310 25675 125 1 1 . 1 1 25 25 ASP N N 25 119.629 119.629 120.142 -0.513 25675 126 1 1 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.818 0.137 25675 127 1 1 . 1 1 25 25 ASP C C 25 175.269 175.269 174.917 0.352 25675 128 1 1 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.766 -1.576 25675 129 1 1 . 1 1 25 25 ASP CB C 25 40.792 40.792 41.836 -1.044 25675 130 1 1 . 1 1 25 25 ASP H H 25 7.987 7.987 8.150 -0.163 25675 131 1 1 . 1 1 26 26 GLU N N 26 123.692 123.692 118.382 5.310 25675 132 1 1 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.597 -0.075 25675 133 1 1 . 1 1 26 26 GLU CA C 26 54.120 54.120 53.957 0.163 25675 134 1 1 . 1 1 26 26 GLU CB C 26 28.899 28.899 30.792 -1.893 25675 135 1 1 . 1 1 26 26 GLU H H 26 8.718 8.718 8.460 0.258 25675 136 1 1 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.518 0.211 25675 137 1 1 . 1 1 27 27 PRO C C 27 176.126 176.126 175.802 0.324 25675 138 1 1 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.930 -0.579 25675 139 1 1 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.808 1.711 25675 140 1 1 . 1 1 28 28 ILE N N 28 118.646 118.646 124.908 -6.262 25675 141 1 1 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.207 0.267 25675 142 1 1 . 1 1 28 28 ILE C C 28 175.181 175.181 174.373 0.808 25675 143 1 1 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.850 -0.402 25675 144 1 1 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.010 0.616 25675 145 1 1 . 1 1 28 28 ILE H H 28 9.244 9.244 7.907 1.337 25675 146 1 1 . 1 1 29 29 GLU N N 29 120.763 120.763 128.032 -7.269 25675 147 1 1 . 1 1 29 29 GLU HA H 29 4.905 4.905 4.839 0.066 25675 148 1 1 . 1 1 29 29 GLU C C 29 175.739 175.739 175.679 0.060 25675 149 1 1 . 1 1 29 29 GLU CA C 29 55.288 55.288 55.540 -0.252 25675 150 1 1 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.109 -1.069 25675 151 1 1 . 1 1 29 29 GLU H H 29 8.220 8.220 8.483 -0.263 25675 152 1 1 . 1 1 30 30 ILE N N 30 124.950 124.950 119.823 5.127 25675 153 1 1 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.756 -0.010 25675 154 1 1 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.543 -1.829 25675 155 1 1 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.261 -0.408 25675 156 1 1 . 1 1 30 30 ILE H H 30 9.307 9.307 8.339 0.968 25675 157 1 1 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.606 -0.223 25675 158 1 1 . 1 1 31 31 PRO C C 31 175.768 175.768 176.005 -0.237 25675 159 1 1 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.823 -0.041 25675 160 1 1 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.257 0.111 25675 161 1 1 . 1 1 32 32 SER N N 32 114.522 114.522 115.948 -1.426 25675 162 1 1 . 1 1 32 32 SER HA H 32 4.567 4.567 4.612 -0.045 25675 163 1 1 . 1 1 32 32 SER C C 32 175.170 175.170 173.294 1.876 25675 164 1 1 . 1 1 32 32 SER CA C 32 56.211 56.211 57.005 -0.794 25675 165 1 1 . 1 1 32 32 SER CB C 32 65.701 65.701 66.177 -0.476 25675 166 1 1 . 1 1 32 32 SER H H 32 7.835 7.835 8.152 -0.317 25675 167 1 1 . 1 1 33 33 GLU N N 33 118.001 118.001 120.699 -2.698 25675 168 1 1 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.524 -0.231 25675 169 1 1 . 1 1 33 33 GLU C C 33 178.843 178.843 176.581 2.262 25675 170 1 1 . 1 1 33 33 GLU CB C 33 30.593 30.593 30.727 -0.134 25675 171 1 1 . 1 1 33 33 GLU H H 33 9.229 9.229 8.828 0.401 25675 172 1 1 . 1 1 34 34 ASP N N 34 122.097 122.097 119.793 2.304 25675 173 1 1 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.474 -0.202 25675 174 1 1 . 1 1 34 34 ASP C C 34 175.680 175.680 177.273 -1.593 25675 175 1 1 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.512 0.450 25675 176 1 1 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.776 -0.690 25675 177 1 1 . 1 1 34 34 ASP H H 34 9.067 9.067 8.746 0.321 25675 178 1 1 . 1 1 35 35 ASP N N 35 115.678 115.678 120.686 -5.008 25675 179 1 1 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.460 0.035 25675 180 1 1 . 1 1 35 35 ASP C C 35 177.470 177.470 177.314 0.156 25675 181 1 1 . 1 1 35 35 ASP CA C 35 52.916 52.916 56.310 -3.394 25675 182 1 1 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.586 -0.773 25675 183 1 1 . 1 1 35 35 ASP H H 35 7.701 7.701 8.634 -0.933 25675 184 1 1 . 1 1 36 36 GLY N N 36 107.781 107.781 105.622 2.159 25675 185 1 1 . 1 1 36 36 GLY C C 36 175.387 175.387 174.454 0.933 25675 186 1 1 . 1 1 36 36 GLY CA C 36 45.526 45.526 44.860 0.666 25675 187 1 1 . 1 1 36 36 GLY H H 36 8.211 8.211 8.031 0.180 25675 188 1 1 . 1 1 37 37 THR N N 37 113.224 113.224 112.566 0.658 25675 189 1 1 . 1 1 37 37 THR HA H 37 4.787 4.787 5.000 -0.213 25675 190 1 1 . 1 1 37 37 THR C C 37 175.874 175.874 173.725 2.149 25675 191 1 1 . 1 1 37 37 THR CA C 37 61.569 61.569 61.922 -0.353 25675 192 1 1 . 1 1 37 37 THR CB C 37 71.292 71.292 71.225 0.067 25675 193 1 1 . 1 1 37 37 THR H H 37 7.890 7.890 7.648 0.242 25675 194 1 1 . 1 1 38 38 VAL N N 38 117.698 117.698 119.779 -2.081 25675 195 1 1 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.515 -0.168 25675 196 1 1 . 1 1 38 38 VAL C C 38 175.187 175.187 174.470 0.717 25675 197 1 1 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.014 0.023 25675 198 1 1 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.142 0.333 25675 199 1 1 . 1 1 38 38 VAL H H 38 8.382 8.382 8.574 -0.192 25675 200 1 1 . 1 1 39 39 LEU N N 39 126.182 126.182 127.841 -1.659 25675 201 1 1 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.281 0.218 25675 202 1 1 . 1 1 39 39 LEU C C 39 178.655 178.655 177.996 0.659 25675 203 1 1 . 1 1 39 39 LEU CA C 39 54.994 54.994 54.709 0.285 25675 204 1 1 . 1 1 39 39 LEU CB C 39 40.660 40.660 43.021 -2.361 25675 205 1 1 . 1 1 39 39 LEU H H 39 8.516 8.516 8.670 -0.154 25675 206 1 1 . 1 1 40 40 LEU N N 40 125.652 125.652 125.103 0.549 25675 207 1 1 . 1 1 40 40 LEU HA H 40 3.973 3.973 3.987 -0.014 25675 208 1 1 . 1 1 40 40 LEU C C 40 178.620 178.620 178.014 0.606 25675 209 1 1 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.345 0.911 25675 210 1 1 . 1 1 40 40 LEU CB C 40 40.998 40.998 42.032 -1.034 25675 211 1 1 . 1 1 40 40 LEU H H 40 8.666 8.666 8.972 -0.306 25675 212 1 1 . 1 1 41 41 SER N N 41 112.797 112.797 110.747 2.050 25675 213 1 1 . 1 1 41 41 SER HA H 41 4.359 4.359 4.155 0.204 25675 214 1 1 . 1 1 41 41 SER C C 41 176.760 176.760 175.162 1.598 25675 215 1 1 . 1 1 41 41 SER CA C 41 60.390 60.390 60.489 -0.098 25675 216 1 1 . 1 1 41 41 SER CB C 41 62.032 62.032 62.838 -0.806 25675 217 1 1 . 1 1 41 41 SER H H 41 8.758 8.758 8.300 0.458 25675 218 1 1 . 1 1 42 42 THR N N 42 121.066 121.066 117.260 3.806 25675 219 1 1 . 1 1 42 42 THR HA H 42 3.993 3.993 4.177 -0.184 25675 220 1 1 . 1 1 42 42 THR C C 42 176.226 176.226 175.775 0.451 25675 221 1 1 . 1 1 42 42 THR CA C 42 65.206 65.206 65.289 -0.083 25675 222 1 1 . 1 1 42 42 THR CB C 42 67.912 67.912 69.382 -1.470 25675 223 1 1 . 1 1 42 42 THR H H 42 7.461 7.461 7.446 0.015 25675 224 1 1 . 1 1 43 43 VAL N N 43 120.996 120.996 121.675 -0.679 25675 225 1 1 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.556 0.038 25675 226 1 1 . 1 1 43 43 VAL C C 43 178.796 178.796 177.507 1.289 25675 227 1 1 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.743 0.065 25675 228 1 1 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.889 -0.049 25675 229 1 1 . 1 1 43 43 VAL H H 43 7.288 7.288 7.346 -0.058 25675 230 1 1 . 1 1 44 44 THR N N 44 113.305 113.305 112.307 0.998 25675 231 1 1 . 1 1 44 44 THR HA H 44 4.202 4.202 4.339 -0.137 25675 232 1 1 . 1 1 44 44 THR C C 44 176.337 176.337 175.376 0.961 25675 233 1 1 . 1 1 44 44 THR CA C 44 64.358 64.358 64.132 0.226 25675 234 1 1 . 1 1 44 44 THR CB C 44 68.969 68.969 68.474 0.495 25675 235 1 1 . 1 1 44 44 THR H H 44 9.189 9.189 7.762 1.427 25675 236 1 1 . 1 1 45 45 ALA N N 45 121.618 121.618 123.873 -2.255 25675 237 1 1 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.115 -0.066 25675 238 1 1 . 1 1 45 45 ALA C C 45 178.685 178.685 178.790 -0.105 25675 239 1 1 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.486 0.140 25675 240 1 1 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.957 -0.680 25675 241 1 1 . 1 1 45 45 ALA H H 45 7.274 7.274 7.349 -0.075 25675 242 1 1 . 1 1 46 46 GLN N N 46 112.595 112.595 114.094 -1.499 25675 243 1 1 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.321 -0.191 25675 244 1 1 . 1 1 46 46 GLN C C 46 174.823 174.823 175.778 -0.955 25675 245 1 1 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.602 -0.353 25675 246 1 1 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.315 -0.395 25675 247 1 1 . 1 1 46 46 GLN H H 46 6.860 6.860 7.605 -0.745 25675 248 1 1 . 1 1 47 47 PHE N N 47 118.197 118.197 119.126 -0.929 25675 249 1 1 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.110 -0.145 25675 250 1 1 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.824 0.917 25675 251 1 1 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.077 0.537 25675 252 1 1 . 1 1 47 47 PHE H H 47 8.344 8.344 7.683 0.661 25675 253 1 1 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.492 -0.052 25675 254 1 1 . 1 1 48 48 PRO C C 48 178.626 178.626 177.624 1.002 25675 255 1 1 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.689 0.651 25675 256 1 1 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.967 -0.521 25675 257 1 1 . 1 1 49 49 GLY N N 49 111.697 111.697 110.886 0.811 25675 258 1 1 . 1 1 49 49 GLY C C 49 174.307 174.307 174.499 -0.192 25675 259 1 1 . 1 1 49 49 GLY CA C 49 44.761 44.761 45.106 -0.345 25675 260 1 1 . 1 1 49 49 GLY H H 49 8.849 8.849 8.682 0.167 25675 261 1 1 . 1 1 50 50 ALA N N 50 122.602 122.602 123.296 -0.694 25675 262 1 1 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.406 -0.578 25675 263 1 1 . 1 1 50 50 ALA C C 50 177.534 177.534 176.791 0.743 25675 264 1 1 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.298 1.108 25675 265 1 1 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.043 2.347 25675 266 1 1 . 1 1 50 50 ALA H H 50 8.032 8.032 7.643 0.389 25675 267 1 1 . 1 1 51 51 CYS N N 51 114.410 114.410 123.721 -9.311 25675 268 1 1 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.512 0.033 25675 269 1 1 . 1 1 51 51 CYS C C 51 174.248 174.248 175.059 -0.811 25675 270 1 1 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.585 -2.178 25675 271 1 1 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.203 0.610 25675 272 1 1 . 1 1 51 51 CYS H H 51 9.094 9.094 8.381 0.713 25675 273 1 1 . 1 1 52 52 GLY N N 52 106.620 106.620 107.223 -0.603 25675 274 1 1 . 1 1 52 52 GLY C C 52 170.769 170.769 172.141 -1.372 25675 275 1 1 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.446 0.515 25675 276 1 1 . 1 1 52 52 GLY H H 52 7.467 7.467 8.203 -0.736 25675 277 1 1 . 1 1 53 53 LEU N N 53 117.961 117.961 123.504 -5.543 25675 278 1 1 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.470 -0.125 25675 279 1 1 . 1 1 53 53 LEU C C 53 175.563 175.563 176.451 -0.888 25675 280 1 1 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.653 0.999 25675 281 1 1 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.325 5.260 25675 282 1 1 . 1 1 53 53 LEU H H 53 8.900 8.900 8.491 0.409 25675 283 1 1 . 1 1 54 54 ARG N N 54 119.739 119.739 121.831 -2.092 25675 284 1 1 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.715 0.896 25675 285 1 1 . 1 1 54 54 ARG C C 54 173.638 173.638 174.879 -1.241 25675 286 1 1 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.303 0.144 25675 287 1 1 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.051 0.487 25675 288 1 1 . 1 1 54 54 ARG H H 54 9.493 9.493 8.282 1.211 25675 289 1 1 . 1 1 55 55 TYR N N 55 115.879 115.879 118.480 -2.601 25675 290 1 1 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.779 0.009 25675 291 1 1 . 1 1 55 55 TYR C C 55 172.417 172.417 174.602 -2.185 25675 292 1 1 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.706 -1.713 25675 293 1 1 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.005 1.095 25675 294 1 1 . 1 1 55 55 TYR H H 55 8.972 8.972 8.460 0.512 25675 295 1 1 . 1 1 56 56 ARG N N 56 121.380 121.380 123.260 -1.880 25675 296 1 1 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.768 -0.485 25675 297 1 1 . 1 1 56 56 ARG C C 56 175.598 175.598 174.155 1.443 25675 298 1 1 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.424 0.744 25675 299 1 1 . 1 1 56 56 ARG CB C 56 30.753 30.753 33.097 -2.344 25675 300 1 1 . 1 1 56 56 ARG H H 56 8.883 8.883 8.470 0.413 25675 301 1 1 . 1 1 57 57 ASN N N 57 127.980 127.980 125.381 2.599 25675 302 1 1 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.273 -0.465 25675 303 1 1 . 1 1 57 57 ASN CA C 57 51.255 51.255 51.008 0.247 25675 304 1 1 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.422 -1.681 25675 305 1 1 . 1 1 57 57 ASN H H 57 8.428 8.428 8.751 -0.323 25675 306 1 1 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.415 -0.122 25675 307 1 1 . 1 1 58 58 PRO C C 58 177.241 177.241 177.080 0.161 25675 308 1 1 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.981 -0.389 25675 309 1 1 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.854 0.434 25675 310 1 1 . 1 1 59 59 VAL N N 59 117.104 117.104 113.822 3.282 25675 311 1 1 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.183 -0.274 25675 312 1 1 . 1 1 59 59 VAL C C 59 177.077 177.077 176.759 0.318 25675 313 1 1 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.466 0.256 25675 314 1 1 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.848 0.113 25675 315 1 1 . 1 1 59 59 VAL H H 59 7.965 7.965 7.800 0.165 25675 316 1 1 . 1 1 60 60 SER N N 60 113.119 113.119 114.496 -1.377 25675 317 1 1 . 1 1 60 60 SER HA H 60 4.427 4.427 4.435 -0.008 25675 318 1 1 . 1 1 60 60 SER C C 60 175.252 175.252 174.296 0.956 25675 319 1 1 . 1 1 60 60 SER CA C 60 58.314 58.314 59.373 -1.059 25675 320 1 1 . 1 1 60 60 SER CB C 60 65.134 65.134 63.621 1.513 25675 321 1 1 . 1 1 60 60 SER H H 60 7.691 7.691 7.703 -0.012 25675 322 1 1 . 1 1 61 61 GLN N N 61 115.138 115.138 116.375 -1.237 25675 323 1 1 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.967 -0.107 25675 324 1 1 . 1 1 61 61 GLN C C 61 174.882 174.882 175.316 -0.434 25675 325 1 1 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.007 0.329 25675 326 1 1 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.243 -0.243 25675 327 1 1 . 1 1 61 61 GLN H H 61 8.309 8.309 8.248 0.061 25675 328 1 1 . 1 1 62 62 CYS N N 62 116.568 116.568 116.455 0.113 25675 329 1 1 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.520 0.012 25675 330 1 1 . 1 1 62 62 CYS C C 62 174.242 174.242 175.138 -0.896 25675 331 1 1 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.802 -0.718 25675 332 1 1 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.474 -0.218 25675 333 1 1 . 1 1 62 62 CYS H H 62 7.664 7.664 8.154 -0.490 25675 334 1 1 . 1 1 63 63 MET N N 63 122.627 122.627 118.154 4.473 25675 335 1 1 . 1 1 63 63 MET HA H 63 4.095 4.095 4.850 -0.755 25675 336 1 1 . 1 1 63 63 MET C C 63 176.437 176.437 175.008 1.429 25675 337 1 1 . 1 1 63 63 MET CA C 63 54.992 54.992 54.911 0.081 25675 338 1 1 . 1 1 63 63 MET CB C 63 32.828 32.828 32.922 -0.094 25675 339 1 1 . 1 1 63 63 MET H H 63 8.733 8.733 8.388 0.345 25675 340 1 1 . 1 1 64 64 ARG N N 64 124.300 124.300 120.922 3.378 25675 341 1 1 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.324 0.143 25675 342 1 1 . 1 1 64 64 ARG C C 64 174.618 174.618 175.972 -1.354 25675 343 1 1 . 1 1 64 64 ARG CA C 64 53.788 53.788 57.156 -3.368 25675 344 1 1 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.528 2.007 25675 345 1 1 . 1 1 64 64 ARG H H 64 8.995 8.995 8.150 0.845 25675 346 1 1 . 1 1 65 65 GLY N N 65 122.716 122.716 106.663 16.053 25675 347 1 1 . 1 1 65 65 GLY C C 65 174.589 174.589 173.120 1.469 25675 348 1 1 . 1 1 65 65 GLY H H 65 8.474 8.474 8.367 0.107 25675 349 1 1 . 1 1 66 66 VAL N N 66 124.050 124.050 120.855 3.195 25675 350 1 1 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.661 0.534 25675 351 1 1 . 1 1 66 66 VAL C C 66 176.220 176.220 176.001 0.219 25675 352 1 1 . 1 1 66 66 VAL CA C 66 62.477 62.477 62.537 -0.060 25675 353 1 1 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.914 0.763 25675 354 1 1 . 1 1 66 66 VAL H H 66 8.313 8.313 7.873 0.440 25675 355 1 1 . 1 1 67 67 ARG N N 67 131.490 131.490 128.816 2.674 25675 356 1 1 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.438 -0.390 25675 357 1 1 . 1 1 67 67 ARG C C 67 173.497 173.497 174.586 -1.089 25675 358 1 1 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.601 2.775 25675 359 1 1 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.488 -0.556 25675 360 1 1 . 1 1 67 67 ARG H H 67 9.314 9.314 7.959 1.355 25675 361 1 1 . 1 1 68 68 LEU N N 68 130.230 130.230 127.163 3.067 25675 362 1 1 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.722 0.482 25675 363 1 1 . 1 1 68 68 LEU C C 68 175.950 175.950 174.899 1.051 25675 364 1 1 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.862 -0.048 25675 365 1 1 . 1 1 68 68 LEU CB C 68 44.093 44.093 44.016 0.077 25675 366 1 1 . 1 1 68 68 LEU H H 68 8.299 8.299 8.532 -0.233 25675 367 1 1 . 1 1 69 69 VAL N N 69 127.090 127.090 126.323 0.767 25675 368 1 1 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.409 -0.082 25675 369 1 1 . 1 1 69 69 VAL C C 69 176.155 176.155 175.212 0.943 25675 370 1 1 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.376 -0.022 25675 371 1 1 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.371 0.734 25675 372 1 1 . 1 1 69 69 VAL H H 69 9.044 9.044 8.599 0.445 25675 373 1 1 . 1 1 70 70 GLU N N 70 128.672 128.672 125.677 2.995 25675 374 1 1 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.983 -0.067 25675 375 1 1 . 1 1 70 70 GLU C C 70 175.891 175.891 176.329 -0.438 25675 376 1 1 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.449 -0.619 25675 377 1 1 . 1 1 70 70 GLU CB C 70 27.190 27.190 28.571 -1.381 25675 378 1 1 . 1 1 70 70 GLU H H 70 9.646 9.646 9.219 0.427 25675 379 1 1 . 1 1 71 71 GLY N N 71 117.967 117.967 102.776 15.191 25675 380 1 1 . 1 1 71 71 GLY C C 71 173.327 173.327 174.276 -0.949 25675 381 1 1 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.304 0.744 25675 382 1 1 . 1 1 71 71 GLY H H 71 8.417 8.417 8.189 0.228 25675 383 1 1 . 1 1 72 72 ILE N N 72 123.402 123.402 123.623 -0.221 25675 384 1 1 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.279 -0.042 25675 385 1 1 . 1 1 72 72 ILE C C 72 174.882 174.882 175.847 -0.965 25675 386 1 1 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.989 -0.561 25675 387 1 1 . 1 1 72 72 ILE CB C 72 38.851 38.851 38.331 0.520 25675 388 1 1 . 1 1 72 72 ILE H H 72 8.124 8.124 7.748 0.376 25675 389 1 1 . 1 1 73 73 LEU N N 73 129.380 129.380 129.505 -0.125 25675 390 1 1 . 1 1 73 73 LEU HA H 73 5.199 5.199 5.005 0.194 25675 391 1 1 . 1 1 73 73 LEU C C 73 175.932 175.932 176.673 -0.741 25675 392 1 1 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.727 0.517 25675 393 1 1 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.601 1.281 25675 394 1 1 . 1 1 73 73 LEU H H 73 9.353 9.353 8.674 0.679 25675 395 1 1 . 1 1 74 74 HIS N N 74 120.040 120.040 126.248 -6.208 25675 396 1 1 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.749 -0.138 25675 397 1 1 . 1 1 74 74 HIS C C 74 172.371 172.371 173.039 -0.668 25675 398 1 1 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.560 -0.735 25675 399 1 1 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.475 -1.624 25675 400 1 1 . 1 1 74 74 HIS H H 74 8.541 8.541 8.990 -0.449 25675 401 1 1 . 1 1 75 75 ALA N N 75 125.980 125.980 128.669 -2.689 25675 402 1 1 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.924 -2.175 25675 403 1 1 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.573 1.364 25675 404 1 1 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.717 -1.769 25675 405 1 1 . 1 1 75 75 ALA H H 75 8.413 8.413 7.972 0.441 25675 406 1 1 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.256 0.026 25675 407 1 1 . 1 1 76 76 PRO C C 76 176.185 176.185 176.009 0.176 25675 408 1 1 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.804 0.477 25675 409 1 1 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.513 -0.241 25675 410 1 1 . 1 1 77 77 ASP N N 77 122.297 122.297 116.821 5.476 25675 411 1 1 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.428 -0.338 25675 412 1 1 . 1 1 77 77 ASP C C 77 176.977 176.977 176.926 0.051 25675 413 1 1 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.133 2.371 25675 414 1 1 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.486 -0.576 25675 415 1 1 . 1 1 77 77 ASP H H 77 8.454 8.454 8.331 0.123 25675 416 1 1 . 1 1 78 78 ALA N N 78 118.586 118.586 120.988 -2.402 25675 417 1 1 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.369 -0.119 25675 418 1 1 . 1 1 78 78 ALA C C 78 177.458 177.458 177.509 -0.051 25675 419 1 1 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.348 0.376 25675 420 1 1 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.065 -1.319 25675 421 1 1 . 1 1 78 78 ALA H H 78 8.032 8.032 7.647 0.385 25675 422 1 1 . 1 1 79 79 GLY N N 79 107.830 107.830 105.661 2.169 25675 423 1 1 . 1 1 79 79 GLY C C 79 172.928 172.928 173.395 -0.467 25675 424 1 1 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.245 -0.904 25675 425 1 1 . 1 1 79 79 GLY H H 79 7.902 7.902 7.336 0.566 25675 426 1 1 . 1 1 80 80 TRP N N 80 119.474 119.474 122.462 -2.988 25675 427 1 1 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.743 -0.208 25675 428 1 1 . 1 1 80 80 TRP C C 80 180.190 180.190 177.147 3.043 25675 429 1 1 . 1 1 80 80 TRP CA C 80 58.670 58.670 57.918 0.752 25675 430 1 1 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.355 0.731 25675 431 1 1 . 1 1 80 80 TRP H H 80 8.389 8.389 8.359 0.030 25675 432 1 1 . 1 1 81 81 GLY N N 81 103.130 103.130 104.952 -1.822 25675 433 1 1 . 1 1 81 81 GLY C C 81 174.110 174.110 172.680 1.430 25675 434 1 1 . 1 1 81 81 GLY CA C 81 45.879 45.879 45.079 0.800 25675 435 1 1 . 1 1 81 81 GLY H H 81 8.519 8.519 8.604 -0.085 25675 436 1 1 . 1 1 82 82 ASN N N 82 120.652 120.652 118.448 2.204 25675 437 1 1 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.355 -0.279 25675 438 1 1 . 1 1 82 82 ASN C C 82 175.211 175.211 174.931 0.280 25675 439 1 1 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.389 -0.404 25675 440 1 1 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.928 -0.271 25675 441 1 1 . 1 1 82 82 ASN H H 82 8.800 8.800 8.442 0.358 25675 442 1 1 . 1 1 83 83 LEU N N 83 118.129 118.129 116.582 1.547 25675 443 1 1 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.816 -0.687 25675 444 1 1 . 1 1 83 83 LEU C C 83 174.442 174.442 175.941 -1.499 25675 445 1 1 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.284 1.515 25675 446 1 1 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.702 -0.845 25675 447 1 1 . 1 1 83 83 LEU H H 83 6.883 6.883 7.655 -0.772 25675 448 1 1 . 1 1 84 84 VAL N N 84 118.316 118.316 117.234 1.082 25675 449 1 1 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.404 -0.349 25675 450 1 1 . 1 1 84 84 VAL C C 84 174.630 174.630 175.010 -0.380 25675 451 1 1 . 1 1 84 84 VAL CA C 84 62.443 62.443 60.892 1.551 25675 452 1 1 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.106 -0.148 25675 453 1 1 . 1 1 84 84 VAL H H 84 7.835 7.835 7.802 0.033 25675 454 1 1 . 1 1 85 85 TYR N N 85 128.110 128.110 125.307 2.803 25675 455 1 1 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.528 -0.831 25675 456 1 1 . 1 1 85 85 TYR C C 85 174.313 174.313 174.042 0.271 25675 457 1 1 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.708 3.413 25675 458 1 1 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.536 0.004 25675 459 1 1 . 1 1 85 85 TYR H H 85 8.886 8.886 8.935 -0.049 25675 460 1 1 . 1 1 86 86 VAL N N 86 122.593 122.593 122.179 0.414 25675 461 1 1 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.978 0.777 25675 462 1 1 . 1 1 86 86 VAL C C 86 176.531 176.531 175.757 0.774 25675 463 1 1 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.235 -0.236 25675 464 1 1 . 1 1 86 86 VAL CB C 86 33.419 33.419 34.011 -0.592 25675 465 1 1 . 1 1 86 86 VAL H H 86 9.473 9.473 7.900 1.573 25675 466 1 1 . 1 1 87 87 VAL N N 87 124.298 124.298 126.618 -2.320 25675 467 1 1 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.386 -0.599 25675 468 1 1 . 1 1 87 87 VAL C C 87 174.735 174.735 175.088 -0.353 25675 469 1 1 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.190 1.536 25675 470 1 1 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.774 0.949 25675 471 1 1 . 1 1 87 87 VAL H H 87 7.864 7.864 8.329 -0.465 25675 472 1 1 . 1 1 88 88 ASN N N 88 123.146 123.146 125.629 -2.483 25675 473 1 1 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.656 0.118 25675 474 1 1 . 1 1 88 88 ASN C C 88 172.900 172.900 172.908 -0.008 25675 475 1 1 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.255 -0.923 25675 476 1 1 . 1 1 88 88 ASN CB C 88 40.773 40.773 41.320 -0.547 25675 477 1 1 . 1 1 88 88 ASN H H 88 7.786 7.786 8.323 -0.537 25675 478 1 2 . 1 1 3 3 GLY C C 3 173.761 173.761 173.931 -0.170 25675 479 1 2 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.693 0.437 25675 480 1 2 . 1 1 4 4 SER N N 4 115.011 115.011 116.787 -1.776 25675 481 1 2 . 1 1 4 4 SER HA H 4 4.304 4.304 4.418 -0.114 25675 482 1 2 . 1 1 4 4 SER C C 4 174.600 174.600 174.624 -0.024 25675 483 1 2 . 1 1 4 4 SER CA C 4 57.900 57.900 59.471 -1.571 25675 484 1 2 . 1 1 4 4 SER CB C 4 63.800 63.800 64.404 -0.604 25675 485 1 2 . 1 1 4 4 SER H H 4 8.185 8.185 7.370 0.815 25675 486 1 2 . 1 1 5 5 HIS N N 5 120.326 120.326 119.305 1.021 25675 487 1 2 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.803 -0.201 25675 488 1 2 . 1 1 5 5 HIS C C 5 174.200 174.200 175.528 -1.328 25675 489 1 2 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.389 -0.121 25675 490 1 2 . 1 1 5 5 HIS CB C 5 29.000 29.000 29.622 -0.622 25675 491 1 2 . 1 1 5 5 HIS H H 5 8.641 8.641 8.475 0.166 25675 492 1 2 . 1 1 6 6 HIS N N 6 119.478 119.478 117.207 2.271 25675 493 1 2 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.492 0.135 25675 494 1 2 . 1 1 6 6 HIS C C 6 174.100 174.100 174.910 -0.810 25675 495 1 2 . 1 1 6 6 HIS CA C 6 55.268 55.268 56.084 -0.815 25675 496 1 2 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.448 -1.148 25675 497 1 2 . 1 1 6 6 HIS H H 6 8.555 8.555 8.359 0.196 25675 498 1 2 . 1 1 7 7 HIS N N 7 120.507 120.507 115.675 4.832 25675 499 1 2 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.656 -0.075 25675 500 1 2 . 1 1 7 7 HIS C C 7 174.100 174.100 173.825 0.275 25675 501 1 2 . 1 1 7 7 HIS CA C 7 55.268 55.268 54.993 0.275 25675 502 1 2 . 1 1 7 7 HIS CB C 7 29.300 29.300 31.067 -1.767 25675 503 1 2 . 1 1 7 7 HIS H H 7 8.777 8.777 7.756 1.021 25675 504 1 2 . 1 1 8 8 HIS N N 8 120.616 120.616 118.814 1.802 25675 505 1 2 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.948 -0.348 25675 506 1 2 . 1 1 8 8 HIS C C 8 174.200 174.200 175.658 -1.458 25675 507 1 2 . 1 1 8 8 HIS CA C 8 55.268 55.268 54.785 0.483 25675 508 1 2 . 1 1 8 8 HIS CB C 8 29.300 29.300 31.584 -2.284 25675 509 1 2 . 1 1 8 8 HIS H H 8 8.777 8.777 8.462 0.315 25675 510 1 2 . 1 1 9 9 HIS N N 9 121.131 121.131 119.348 1.783 25675 511 1 2 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.504 0.076 25675 512 1 2 . 1 1 9 9 HIS C C 9 173.990 173.990 175.603 -1.613 25675 513 1 2 . 1 1 9 9 HIS CA C 9 55.000 55.000 56.522 -1.522 25675 514 1 2 . 1 1 9 9 HIS CB C 9 29.400 29.400 30.488 -1.088 25675 515 1 2 . 1 1 9 9 HIS H H 9 8.785 8.785 8.223 0.562 25675 516 1 2 . 1 1 10 10 HIS N N 10 121.437 121.437 119.459 1.978 25675 517 1 2 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.614 -0.020 25675 518 1 2 . 1 1 10 10 HIS C C 10 174.577 174.577 176.230 -1.653 25675 519 1 2 . 1 1 10 10 HIS CA C 10 55.268 55.268 57.089 -1.821 25675 520 1 2 . 1 1 10 10 HIS CB C 10 28.900 28.900 29.535 -0.635 25675 521 1 2 . 1 1 10 10 HIS H H 10 8.769 8.769 7.757 1.012 25675 522 1 2 . 1 1 11 11 GLY N N 11 111.579 111.579 108.274 3.305 25675 523 1 2 . 1 1 11 11 GLY C C 11 174.184 174.184 173.682 0.502 25675 524 1 2 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.844 0.496 25675 525 1 2 . 1 1 11 11 GLY H H 11 8.559 8.559 8.129 0.430 25675 526 1 2 . 1 1 12 12 SER N N 12 115.987 115.987 116.978 -0.991 25675 527 1 2 . 1 1 12 12 SER HA H 12 4.407 4.407 4.708 -0.301 25675 528 1 2 . 1 1 12 12 SER C C 12 174.817 174.817 175.184 -0.367 25675 529 1 2 . 1 1 12 12 SER CA C 12 58.529 58.529 57.690 0.839 25675 530 1 2 . 1 1 12 12 SER CB C 12 63.780 63.780 64.268 -0.488 25675 531 1 2 . 1 1 12 12 SER H H 12 8.353 8.353 8.294 0.059 25675 532 1 2 . 1 1 13 13 MET N N 13 121.805 121.805 121.860 -0.055 25675 533 1 2 . 1 1 13 13 MET HA H 13 4.521 4.521 4.476 0.045 25675 534 1 2 . 1 1 13 13 MET C C 13 176.003 176.003 175.623 0.380 25675 535 1 2 . 1 1 13 13 MET CA C 13 55.503 55.503 55.903 -0.400 25675 536 1 2 . 1 1 13 13 MET CB C 13 32.843 32.843 33.107 -0.264 25675 537 1 2 . 1 1 13 13 MET H H 13 8.432 8.432 8.256 0.176 25675 538 1 2 . 1 1 14 14 SER N N 14 116.515 116.515 114.898 1.617 25675 539 1 2 . 1 1 14 14 SER HA H 14 4.265 4.265 4.700 -0.435 25675 540 1 2 . 1 1 14 14 SER C C 14 174.055 174.055 173.956 0.099 25675 541 1 2 . 1 1 14 14 SER H H 14 8.205 8.205 8.167 0.038 25675 542 1 2 . 1 1 15 15 GLU N N 15 122.455 122.455 123.344 -0.889 25675 543 1 2 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.666 -0.431 25675 544 1 2 . 1 1 15 15 GLU C C 15 174.900 174.900 175.052 -0.152 25675 545 1 2 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.665 -0.037 25675 546 1 2 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.909 -1.684 25675 547 1 2 . 1 1 15 15 GLU H H 15 8.292 8.292 8.774 -0.482 25675 548 1 2 . 1 1 16 16 TYR N N 16 118.896 118.896 114.467 4.429 25675 549 1 2 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.902 0.159 25675 550 1 2 . 1 1 16 16 TYR C C 16 174.935 174.935 174.304 0.631 25675 551 1 2 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.740 0.972 25675 552 1 2 . 1 1 16 16 TYR CB C 16 41.507 41.507 41.174 0.333 25675 553 1 2 . 1 1 16 16 TYR H H 16 7.955 7.955 7.772 0.183 25675 554 1 2 . 1 1 17 17 ILE N N 17 115.711 115.711 121.171 -5.460 25675 555 1 2 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.380 0.169 25675 556 1 2 . 1 1 17 17 ILE C C 17 174.747 174.747 173.919 0.828 25675 557 1 2 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.880 -0.438 25675 558 1 2 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.233 0.626 25675 559 1 2 . 1 1 17 17 ILE H H 17 8.890 8.890 8.034 0.856 25675 560 1 2 . 1 1 18 18 ARG N N 18 123.175 123.175 129.273 -6.098 25675 561 1 2 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.512 -0.632 25675 562 1 2 . 1 1 18 18 ARG C C 18 174.988 174.988 174.950 0.038 25675 563 1 2 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.497 1.347 25675 564 1 2 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.629 0.101 25675 565 1 2 . 1 1 18 18 ARG H H 18 8.636 8.636 8.378 0.258 25675 566 1 2 . 1 1 19 19 VAL N N 19 122.554 122.554 121.164 1.390 25675 567 1 2 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.723 -0.259 25675 568 1 2 . 1 1 19 19 VAL C C 19 173.984 173.984 174.852 -0.868 25675 569 1 2 . 1 1 19 19 VAL CA C 19 59.894 59.894 58.809 1.085 25675 570 1 2 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.333 0.376 25675 571 1 2 . 1 1 19 19 VAL H H 19 8.916 8.916 8.215 0.701 25675 572 1 2 . 1 1 20 20 THR N N 20 118.638 118.638 115.021 3.617 25675 573 1 2 . 1 1 20 20 THR HA H 20 5.081 5.081 4.887 0.194 25675 574 1 2 . 1 1 20 20 THR C C 20 172.312 172.312 174.785 -2.473 25675 575 1 2 . 1 1 20 20 THR CA C 20 57.731 57.731 59.725 -1.994 25675 576 1 2 . 1 1 20 20 THR CB C 20 71.835 71.835 71.738 0.097 25675 577 1 2 . 1 1 20 20 THR H H 20 8.794 8.794 8.135 0.659 25675 578 1 2 . 1 1 21 21 GLU N N 21 124.307 124.307 123.479 0.828 25675 579 1 2 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.703 0.471 25675 580 1 2 . 1 1 21 21 GLU C C 21 175.258 175.258 176.575 -1.317 25675 581 1 2 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.862 -1.962 25675 582 1 2 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.453 -1.501 25675 583 1 2 . 1 1 21 21 GLU H H 21 8.792 8.792 8.956 -0.164 25675 584 1 2 . 1 1 22 22 ASP N N 22 117.282 117.282 117.238 0.044 25675 585 1 2 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.726 -0.122 25675 586 1 2 . 1 1 22 22 ASP C C 22 175.387 175.387 175.610 -0.223 25675 587 1 2 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.600 -0.135 25675 588 1 2 . 1 1 22 22 ASP CB C 22 42.875 42.875 42.630 0.245 25675 589 1 2 . 1 1 22 22 ASP H H 22 7.932 7.932 7.540 0.392 25675 590 1 2 . 1 1 23 23 GLU N N 23 123.785 123.785 119.336 4.449 25675 591 1 2 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.061 -0.123 25675 592 1 2 . 1 1 23 23 GLU C C 23 176.062 176.062 177.027 -0.965 25675 593 1 2 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.338 1.104 25675 594 1 2 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.872 -0.436 25675 595 1 2 . 1 1 23 23 GLU H H 23 9.232 9.232 8.501 0.731 25675 596 1 2 . 1 1 24 24 ASN N N 24 115.807 115.807 118.685 -2.878 25675 597 1 2 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.576 0.112 25675 598 1 2 . 1 1 24 24 ASN C C 24 174.636 174.636 175.363 -0.727 25675 599 1 2 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.401 -0.503 25675 600 1 2 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.563 0.340 25675 601 1 2 . 1 1 24 24 ASN H H 24 8.694 8.694 8.230 0.464 25675 602 1 2 . 1 1 25 25 ASP N N 25 119.629 119.629 119.144 0.485 25675 603 1 2 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.760 0.195 25675 604 1 2 . 1 1 25 25 ASP C C 25 175.269 175.269 174.678 0.591 25675 605 1 2 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.068 -0.878 25675 606 1 2 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.937 -2.145 25675 607 1 2 . 1 1 25 25 ASP H H 25 7.987 7.987 8.189 -0.202 25675 608 1 2 . 1 1 26 26 GLU N N 26 123.692 123.692 119.183 4.509 25675 609 1 2 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.552 -0.030 25675 610 1 2 . 1 1 26 26 GLU CA C 26 54.120 54.120 54.258 -0.138 25675 611 1 2 . 1 1 26 26 GLU CB C 26 28.899 28.899 30.311 -1.412 25675 612 1 2 . 1 1 26 26 GLU H H 26 8.718 8.718 8.418 0.300 25675 613 1 2 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.548 0.181 25675 614 1 2 . 1 1 27 27 PRO C C 27 176.126 176.126 175.769 0.357 25675 615 1 2 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.996 -0.645 25675 616 1 2 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.837 1.682 25675 617 1 2 . 1 1 28 28 ILE N N 28 118.646 118.646 124.873 -6.227 25675 618 1 2 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.193 0.281 25675 619 1 2 . 1 1 28 28 ILE C C 28 175.181 175.181 175.258 -0.077 25675 620 1 2 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.717 -0.269 25675 621 1 2 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.125 0.501 25675 622 1 2 . 1 1 28 28 ILE H H 28 9.244 9.244 7.998 1.246 25675 623 1 2 . 1 1 29 29 GLU N N 29 120.763 120.763 128.322 -7.559 25675 624 1 2 . 1 1 29 29 GLU HA H 29 4.905 4.905 4.910 -0.005 25675 625 1 2 . 1 1 29 29 GLU C C 29 175.739 175.739 175.406 0.333 25675 626 1 2 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.831 0.457 25675 627 1 2 . 1 1 29 29 GLU CB C 29 29.040 29.040 29.643 -0.603 25675 628 1 2 . 1 1 29 29 GLU H H 29 8.220 8.220 8.363 -0.143 25675 629 1 2 . 1 1 30 30 ILE N N 30 124.950 124.950 119.226 5.724 25675 630 1 2 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.741 0.005 25675 631 1 2 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.584 -1.870 25675 632 1 2 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.120 -0.267 25675 633 1 2 . 1 1 30 30 ILE H H 30 9.307 9.307 8.564 0.743 25675 634 1 2 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.651 -0.268 25675 635 1 2 . 1 1 31 31 PRO C C 31 175.768 175.768 176.216 -0.448 25675 636 1 2 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.909 -0.127 25675 637 1 2 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.286 0.081 25675 638 1 2 . 1 1 32 32 SER N N 32 114.522 114.522 116.528 -2.006 25675 639 1 2 . 1 1 32 32 SER HA H 32 4.567 4.567 4.622 -0.055 25675 640 1 2 . 1 1 32 32 SER C C 32 175.170 175.170 173.752 1.418 25675 641 1 2 . 1 1 32 32 SER CA C 32 56.211 56.211 56.522 -0.311 25675 642 1 2 . 1 1 32 32 SER CB C 32 65.701 65.701 65.831 -0.130 25675 643 1 2 . 1 1 32 32 SER H H 32 7.835 7.835 8.291 -0.456 25675 644 1 2 . 1 1 33 33 GLU N N 33 118.001 118.001 120.708 -2.707 25675 645 1 2 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.485 -0.192 25675 646 1 2 . 1 1 33 33 GLU C C 33 178.843 178.843 177.312 1.531 25675 647 1 2 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.443 -0.850 25675 648 1 2 . 1 1 33 33 GLU H H 33 9.229 9.229 8.728 0.501 25675 649 1 2 . 1 1 34 34 ASP N N 34 122.097 122.097 119.867 2.230 25675 650 1 2 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.470 -0.198 25675 651 1 2 . 1 1 34 34 ASP C C 34 175.680 175.680 177.213 -1.533 25675 652 1 2 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.390 0.572 25675 653 1 2 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.650 -0.564 25675 654 1 2 . 1 1 34 34 ASP H H 34 9.067 9.067 8.727 0.340 25675 655 1 2 . 1 1 35 35 ASP N N 35 115.678 115.678 120.095 -4.417 25675 656 1 2 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.506 -0.011 25675 657 1 2 . 1 1 35 35 ASP C C 35 177.470 177.470 177.320 0.150 25675 658 1 2 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.313 -2.397 25675 659 1 2 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.829 -1.016 25675 660 1 2 . 1 1 35 35 ASP H H 35 7.701 7.701 8.537 -0.836 25675 661 1 2 . 1 1 36 36 GLY N N 36 107.781 107.781 106.743 1.038 25675 662 1 2 . 1 1 36 36 GLY C C 36 175.387 175.387 174.559 0.828 25675 663 1 2 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.220 0.306 25675 664 1 2 . 1 1 36 36 GLY H H 36 8.211 8.211 7.692 0.519 25675 665 1 2 . 1 1 37 37 THR N N 37 113.224 113.224 113.829 -0.605 25675 666 1 2 . 1 1 37 37 THR HA H 37 4.787 4.787 4.921 -0.134 25675 667 1 2 . 1 1 37 37 THR C C 37 175.874 175.874 173.961 1.913 25675 668 1 2 . 1 1 37 37 THR CA C 37 61.569 61.569 61.279 0.290 25675 669 1 2 . 1 1 37 37 THR CB C 37 71.292 71.292 70.776 0.516 25675 670 1 2 . 1 1 37 37 THR H H 37 7.890 7.890 7.741 0.149 25675 671 1 2 . 1 1 38 38 VAL N N 38 117.698 117.698 119.801 -2.103 25675 672 1 2 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.411 -0.064 25675 673 1 2 . 1 1 38 38 VAL C C 38 175.187 175.187 174.423 0.764 25675 674 1 2 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.312 -0.275 25675 675 1 2 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.054 0.420 25675 676 1 2 . 1 1 38 38 VAL H H 38 8.382 8.382 8.528 -0.146 25675 677 1 2 . 1 1 39 39 LEU N N 39 126.182 126.182 127.531 -1.349 25675 678 1 2 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.222 0.277 25675 679 1 2 . 1 1 39 39 LEU C C 39 178.655 178.655 177.456 1.199 25675 680 1 2 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.441 -0.447 25675 681 1 2 . 1 1 39 39 LEU CB C 39 40.660 40.660 43.065 -2.405 25675 682 1 2 . 1 1 39 39 LEU H H 39 8.516 8.516 8.664 -0.148 25675 683 1 2 . 1 1 40 40 LEU N N 40 125.652 125.652 125.636 0.016 25675 684 1 2 . 1 1 40 40 LEU HA H 40 3.973 3.973 3.981 -0.008 25675 685 1 2 . 1 1 40 40 LEU C C 40 178.620 178.620 178.765 -0.145 25675 686 1 2 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.607 0.649 25675 687 1 2 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.954 -0.956 25675 688 1 2 . 1 1 40 40 LEU H H 40 8.666 8.666 8.765 -0.099 25675 689 1 2 . 1 1 41 41 SER N N 41 112.797 112.797 113.526 -0.729 25675 690 1 2 . 1 1 41 41 SER HA H 41 4.359 4.359 4.230 0.129 25675 691 1 2 . 1 1 41 41 SER C C 41 176.760 176.760 175.981 0.779 25675 692 1 2 . 1 1 41 41 SER CA C 41 60.390 60.390 61.309 -0.919 25675 693 1 2 . 1 1 41 41 SER CB C 41 62.032 62.032 62.992 -0.960 25675 694 1 2 . 1 1 41 41 SER H H 41 8.758 8.758 8.268 0.490 25675 695 1 2 . 1 1 42 42 THR N N 42 121.066 121.066 117.685 3.381 25675 696 1 2 . 1 1 42 42 THR HA H 42 3.993 3.993 4.085 -0.092 25675 697 1 2 . 1 1 42 42 THR C C 42 176.226 176.226 175.951 0.275 25675 698 1 2 . 1 1 42 42 THR CA C 42 65.206 65.206 65.382 -0.176 25675 699 1 2 . 1 1 42 42 THR CB C 42 67.912 67.912 68.490 -0.577 25675 700 1 2 . 1 1 42 42 THR H H 42 7.461 7.461 7.490 -0.029 25675 701 1 2 . 1 1 43 43 VAL N N 43 120.996 120.996 120.769 0.227 25675 702 1 2 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.743 -0.149 25675 703 1 2 . 1 1 43 43 VAL C C 43 178.796 178.796 177.576 1.220 25675 704 1 2 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.425 0.383 25675 705 1 2 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.344 0.496 25675 706 1 2 . 1 1 43 43 VAL H H 43 7.288 7.288 7.391 -0.103 25675 707 1 2 . 1 1 44 44 THR N N 44 113.305 113.305 110.213 3.092 25675 708 1 2 . 1 1 44 44 THR HA H 44 4.202 4.202 4.395 -0.193 25675 709 1 2 . 1 1 44 44 THR C C 44 176.337 176.337 175.442 0.895 25675 710 1 2 . 1 1 44 44 THR CA C 44 64.358 64.358 64.397 -0.039 25675 711 1 2 . 1 1 44 44 THR CB C 44 68.969 68.969 68.764 0.205 25675 712 1 2 . 1 1 44 44 THR H H 44 9.189 9.189 7.740 1.449 25675 713 1 2 . 1 1 45 45 ALA N N 45 121.618 121.618 124.597 -2.979 25675 714 1 2 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.011 0.038 25675 715 1 2 . 1 1 45 45 ALA C C 45 178.685 178.685 178.985 -0.300 25675 716 1 2 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.358 0.268 25675 717 1 2 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.935 -0.658 25675 718 1 2 . 1 1 45 45 ALA H H 45 7.274 7.274 7.197 0.077 25675 719 1 2 . 1 1 46 46 GLN N N 46 112.595 112.595 113.536 -0.941 25675 720 1 2 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.267 -0.137 25675 721 1 2 . 1 1 46 46 GLN C C 46 174.823 174.823 175.985 -1.162 25675 722 1 2 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.789 -0.539 25675 723 1 2 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.990 -1.070 25675 724 1 2 . 1 1 46 46 GLN H H 46 6.860 6.860 7.551 -0.691 25675 725 1 2 . 1 1 47 47 PHE N N 47 118.197 118.197 118.650 -0.453 25675 726 1 2 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.087 -0.122 25675 727 1 2 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.977 0.764 25675 728 1 2 . 1 1 47 47 PHE CB C 47 39.614 39.614 38.741 0.873 25675 729 1 2 . 1 1 47 47 PHE H H 47 8.344 8.344 7.504 0.840 25675 730 1 2 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.477 -0.037 25675 731 1 2 . 1 1 48 48 PRO C C 48 178.626 178.626 177.551 1.075 25675 732 1 2 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.571 0.769 25675 733 1 2 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.990 -0.544 25675 734 1 2 . 1 1 49 49 GLY N N 49 111.697 111.697 110.819 0.878 25675 735 1 2 . 1 1 49 49 GLY C C 49 174.307 174.307 173.934 0.373 25675 736 1 2 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.910 -0.149 25675 737 1 2 . 1 1 49 49 GLY H H 49 8.849 8.849 8.674 0.175 25675 738 1 2 . 1 1 50 50 ALA N N 50 122.602 122.602 121.832 0.770 25675 739 1 2 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.607 -0.779 25675 740 1 2 . 1 1 50 50 ALA C C 50 177.534 177.534 175.954 1.580 25675 741 1 2 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.145 1.261 25675 742 1 2 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.886 1.504 25675 743 1 2 . 1 1 50 50 ALA H H 50 8.032 8.032 7.621 0.411 25675 744 1 2 . 1 1 51 51 CYS N N 51 114.410 114.410 123.135 -8.725 25675 745 1 2 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.804 -0.259 25675 746 1 2 . 1 1 51 51 CYS C C 51 174.248 174.248 175.073 -0.825 25675 747 1 2 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.379 -1.972 25675 748 1 2 . 1 1 51 51 CYS CB C 51 29.813 29.813 30.047 -0.235 25675 749 1 2 . 1 1 51 51 CYS H H 51 9.094 9.094 8.409 0.685 25675 750 1 2 . 1 1 52 52 GLY N N 52 106.620 106.620 108.524 -1.904 25675 751 1 2 . 1 1 52 52 GLY C C 52 170.769 170.769 172.074 -1.305 25675 752 1 2 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.628 0.333 25675 753 1 2 . 1 1 52 52 GLY H H 52 7.467 7.467 8.428 -0.961 25675 754 1 2 . 1 1 53 53 LEU N N 53 117.961 117.961 122.809 -4.848 25675 755 1 2 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.541 -0.196 25675 756 1 2 . 1 1 53 53 LEU C C 53 175.563 175.563 176.451 -0.888 25675 757 1 2 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.360 1.292 25675 758 1 2 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.912 4.673 25675 759 1 2 . 1 1 53 53 LEU H H 53 8.900 8.900 8.288 0.612 25675 760 1 2 . 1 1 54 54 ARG N N 54 119.739 119.739 120.575 -0.836 25675 761 1 2 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.501 1.110 25675 762 1 2 . 1 1 54 54 ARG C C 54 173.638 173.638 174.564 -0.926 25675 763 1 2 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.443 0.004 25675 764 1 2 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.351 0.187 25675 765 1 2 . 1 1 54 54 ARG H H 54 9.493 9.493 8.247 1.246 25675 766 1 2 . 1 1 55 55 TYR N N 55 115.879 115.879 118.507 -2.628 25675 767 1 2 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.739 0.049 25675 768 1 2 . 1 1 55 55 TYR C C 55 172.417 172.417 174.700 -2.283 25675 769 1 2 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.871 -1.878 25675 770 1 2 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.002 1.098 25675 771 1 2 . 1 1 55 55 TYR H H 55 8.972 8.972 8.406 0.566 25675 772 1 2 . 1 1 56 56 ARG N N 56 121.380 121.380 123.882 -2.502 25675 773 1 2 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.722 -0.439 25675 774 1 2 . 1 1 56 56 ARG C C 56 175.598 175.598 174.025 1.573 25675 775 1 2 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.444 0.724 25675 776 1 2 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.113 -1.360 25675 777 1 2 . 1 1 56 56 ARG H H 56 8.883 8.883 8.681 0.202 25675 778 1 2 . 1 1 57 57 ASN N N 57 127.980 127.980 124.761 3.219 25675 779 1 2 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.231 -0.423 25675 780 1 2 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.342 0.913 25675 781 1 2 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.257 -1.516 25675 782 1 2 . 1 1 57 57 ASN H H 57 8.428 8.428 8.574 -0.146 25675 783 1 2 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.435 -0.142 25675 784 1 2 . 1 1 58 58 PRO C C 58 177.241 177.241 176.931 0.310 25675 785 1 2 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.784 -0.192 25675 786 1 2 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.819 0.469 25675 787 1 2 . 1 1 59 59 VAL N N 59 117.104 117.104 111.902 5.202 25675 788 1 2 . 1 1 59 59 VAL HA H 59 3.909 3.909 3.979 -0.070 25675 789 1 2 . 1 1 59 59 VAL C C 59 177.077 177.077 176.552 0.525 25675 790 1 2 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.267 0.455 25675 791 1 2 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.209 0.752 25675 792 1 2 . 1 1 59 59 VAL H H 59 7.965 7.965 8.085 -0.120 25675 793 1 2 . 1 1 60 60 SER N N 60 113.119 113.119 114.978 -1.859 25675 794 1 2 . 1 1 60 60 SER HA H 60 4.427 4.427 4.382 0.045 25675 795 1 2 . 1 1 60 60 SER C C 60 175.252 175.252 174.690 0.562 25675 796 1 2 . 1 1 60 60 SER CA C 60 58.314 58.314 59.101 -0.787 25675 797 1 2 . 1 1 60 60 SER CB C 60 65.134 65.134 63.413 1.721 25675 798 1 2 . 1 1 60 60 SER H H 60 7.691 7.691 7.677 0.014 25675 799 1 2 . 1 1 61 61 GLN N N 61 115.138 115.138 116.433 -1.295 25675 800 1 2 . 1 1 61 61 GLN HA H 61 3.860 3.860 4.021 -0.161 25675 801 1 2 . 1 1 61 61 GLN C C 61 174.882 174.882 175.182 -0.300 25675 802 1 2 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.093 0.243 25675 803 1 2 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.461 -0.461 25675 804 1 2 . 1 1 61 61 GLN H H 61 8.309 8.309 8.068 0.241 25675 805 1 2 . 1 1 62 62 CYS N N 62 116.568 116.568 115.476 1.092 25675 806 1 2 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.738 -0.206 25675 807 1 2 . 1 1 62 62 CYS C C 62 174.242 174.242 174.275 -0.033 25675 808 1 2 . 1 1 62 62 CYS CA C 62 58.084 58.084 56.514 1.570 25675 809 1 2 . 1 1 62 62 CYS CB C 62 29.256 29.256 30.692 -1.436 25675 810 1 2 . 1 1 62 62 CYS H H 62 7.664 7.664 7.491 0.173 25675 811 1 2 . 1 1 63 63 MET N N 63 122.627 122.627 118.462 4.165 25675 812 1 2 . 1 1 63 63 MET HA H 63 4.095 4.095 4.840 -0.745 25675 813 1 2 . 1 1 63 63 MET C C 63 176.437 176.437 175.480 0.957 25675 814 1 2 . 1 1 63 63 MET CA C 63 54.992 54.992 54.588 0.404 25675 815 1 2 . 1 1 63 63 MET CB C 63 32.828 32.828 33.047 -0.219 25675 816 1 2 . 1 1 63 63 MET H H 63 8.733 8.733 8.307 0.426 25675 817 1 2 . 1 1 64 64 ARG N N 64 124.300 124.300 121.258 3.042 25675 818 1 2 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.336 0.131 25675 819 1 2 . 1 1 64 64 ARG C C 64 174.618 174.618 176.016 -1.398 25675 820 1 2 . 1 1 64 64 ARG CA C 64 53.788 53.788 57.416 -3.627 25675 821 1 2 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.612 1.923 25675 822 1 2 . 1 1 64 64 ARG H H 64 8.995 8.995 8.200 0.795 25675 823 1 2 . 1 1 65 65 GLY N N 65 122.716 122.716 106.903 15.813 25675 824 1 2 . 1 1 65 65 GLY C C 65 174.589 174.589 173.285 1.304 25675 825 1 2 . 1 1 65 65 GLY H H 65 8.474 8.474 8.225 0.249 25675 826 1 2 . 1 1 66 66 VAL N N 66 124.050 124.050 120.969 3.081 25675 827 1 2 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.538 0.657 25675 828 1 2 . 1 1 66 66 VAL C C 66 176.220 176.220 175.359 0.861 25675 829 1 2 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.269 -0.792 25675 830 1 2 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.291 0.386 25675 831 1 2 . 1 1 66 66 VAL H H 66 8.313 8.313 7.733 0.580 25675 832 1 2 . 1 1 67 67 ARG N N 67 131.490 131.490 128.072 3.418 25675 833 1 2 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.539 -0.491 25675 834 1 2 . 1 1 67 67 ARG C C 67 173.497 173.497 174.184 -0.687 25675 835 1 2 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.919 3.458 25675 836 1 2 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.921 -0.989 25675 837 1 2 . 1 1 67 67 ARG H H 67 9.314 9.314 7.858 1.456 25675 838 1 2 . 1 1 68 68 LEU N N 68 130.230 130.230 126.528 3.702 25675 839 1 2 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.607 0.597 25675 840 1 2 . 1 1 68 68 LEU C C 68 175.950 175.950 174.695 1.255 25675 841 1 2 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.002 -0.188 25675 842 1 2 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.760 0.333 25675 843 1 2 . 1 1 68 68 LEU H H 68 8.299 8.299 8.575 -0.276 25675 844 1 2 . 1 1 69 69 VAL N N 69 127.090 127.090 127.325 -0.235 25675 845 1 2 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.401 -0.074 25675 846 1 2 . 1 1 69 69 VAL C C 69 176.155 176.155 175.218 0.937 25675 847 1 2 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.215 0.139 25675 848 1 2 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.191 0.914 25675 849 1 2 . 1 1 69 69 VAL H H 69 9.044 9.044 8.358 0.686 25675 850 1 2 . 1 1 70 70 GLU N N 70 128.672 128.672 125.829 2.843 25675 851 1 2 . 1 1 70 70 GLU HA H 70 3.916 3.916 4.024 -0.108 25675 852 1 2 . 1 1 70 70 GLU C C 70 175.891 175.891 176.470 -0.579 25675 853 1 2 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.270 -0.440 25675 854 1 2 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.794 -0.604 25675 855 1 2 . 1 1 70 70 GLU H H 70 9.646 9.646 9.257 0.389 25675 856 1 2 . 1 1 71 71 GLY N N 71 117.967 117.967 101.991 15.976 25675 857 1 2 . 1 1 71 71 GLY C C 71 173.327 173.327 174.306 -0.979 25675 858 1 2 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.310 0.738 25675 859 1 2 . 1 1 71 71 GLY H H 71 8.417 8.417 8.230 0.187 25675 860 1 2 . 1 1 72 72 ILE N N 72 123.402 123.402 123.878 -0.476 25675 861 1 2 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.283 -0.046 25675 862 1 2 . 1 1 72 72 ILE C C 72 174.882 174.882 176.026 -1.144 25675 863 1 2 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.739 -0.311 25675 864 1 2 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.864 0.987 25675 865 1 2 . 1 1 72 72 ILE H H 72 8.124 8.124 7.743 0.381 25675 866 1 2 . 1 1 73 73 LEU N N 73 129.380 129.380 130.243 -0.863 25675 867 1 2 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.842 0.357 25675 868 1 2 . 1 1 73 73 LEU C C 73 175.932 175.932 176.773 -0.841 25675 869 1 2 . 1 1 73 73 LEU CA C 73 54.245 54.245 54.100 0.145 25675 870 1 2 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.203 1.679 25675 871 1 2 . 1 1 73 73 LEU H H 73 9.353 9.353 8.457 0.896 25675 872 1 2 . 1 1 74 74 HIS N N 74 120.040 120.040 126.584 -6.544 25675 873 1 2 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.767 -0.156 25675 874 1 2 . 1 1 74 74 HIS C C 74 172.371 172.371 173.045 -0.674 25675 875 1 2 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.437 -0.612 25675 876 1 2 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.415 -1.564 25675 877 1 2 . 1 1 74 74 HIS H H 74 8.541 8.541 8.922 -0.381 25675 878 1 2 . 1 1 75 75 ALA N N 75 125.980 125.980 129.178 -3.198 25675 879 1 2 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.780 -2.031 25675 880 1 2 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.771 1.166 25675 881 1 2 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.657 -1.709 25675 882 1 2 . 1 1 75 75 ALA H H 75 8.413 8.413 8.234 0.179 25675 883 1 2 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.196 0.086 25675 884 1 2 . 1 1 76 76 PRO C C 76 176.185 176.185 176.050 0.135 25675 885 1 2 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.931 0.350 25675 886 1 2 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.599 -0.327 25675 887 1 2 . 1 1 77 77 ASP N N 77 122.297 122.297 116.691 5.606 25675 888 1 2 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.395 -0.305 25675 889 1 2 . 1 1 77 77 ASP C C 77 176.977 176.977 176.796 0.181 25675 890 1 2 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.177 2.327 25675 891 1 2 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.556 -0.646 25675 892 1 2 . 1 1 77 77 ASP H H 77 8.454 8.454 8.293 0.161 25675 893 1 2 . 1 1 78 78 ALA N N 78 118.586 118.586 121.086 -2.500 25675 894 1 2 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.367 -0.118 25675 895 1 2 . 1 1 78 78 ALA C C 78 177.458 177.458 177.371 0.087 25675 896 1 2 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.266 0.458 25675 897 1 2 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.024 -1.278 25675 898 1 2 . 1 1 78 78 ALA H H 78 8.032 8.032 7.643 0.389 25675 899 1 2 . 1 1 79 79 GLY N N 79 107.830 107.830 105.606 2.224 25675 900 1 2 . 1 1 79 79 GLY C C 79 172.928 172.928 173.478 -0.550 25675 901 1 2 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.283 -0.942 25675 902 1 2 . 1 1 79 79 GLY H H 79 7.902 7.902 7.318 0.584 25675 903 1 2 . 1 1 80 80 TRP N N 80 119.474 119.474 122.435 -2.961 25675 904 1 2 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.846 -0.311 25675 905 1 2 . 1 1 80 80 TRP C C 80 180.190 180.190 177.219 2.971 25675 906 1 2 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.114 0.556 25675 907 1 2 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.461 0.625 25675 908 1 2 . 1 1 80 80 TRP H H 80 8.389 8.389 8.416 -0.027 25675 909 1 2 . 1 1 81 81 GLY N N 81 103.130 103.130 105.030 -1.900 25675 910 1 2 . 1 1 81 81 GLY C C 81 174.110 174.110 172.695 1.415 25675 911 1 2 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.694 1.185 25675 912 1 2 . 1 1 81 81 GLY H H 81 8.519 8.519 8.400 0.119 25675 913 1 2 . 1 1 82 82 ASN N N 82 120.652 120.652 118.269 2.383 25675 914 1 2 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.426 -0.350 25675 915 1 2 . 1 1 82 82 ASN C C 82 175.211 175.211 174.786 0.425 25675 916 1 2 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.283 -0.298 25675 917 1 2 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.336 0.321 25675 918 1 2 . 1 1 82 82 ASN H H 82 8.800 8.800 8.546 0.254 25675 919 1 2 . 1 1 83 83 LEU N N 83 118.129 118.129 115.692 2.437 25675 920 1 2 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.818 -0.689 25675 921 1 2 . 1 1 83 83 LEU C C 83 174.442 174.442 175.399 -0.957 25675 922 1 2 . 1 1 83 83 LEU CA C 83 54.799 54.799 52.825 1.974 25675 923 1 2 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.446 -0.589 25675 924 1 2 . 1 1 83 83 LEU H H 83 6.883 6.883 7.543 -0.660 25675 925 1 2 . 1 1 84 84 VAL N N 84 118.316 118.316 116.923 1.393 25675 926 1 2 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.328 -0.273 25675 927 1 2 . 1 1 84 84 VAL C C 84 174.630 174.630 174.883 -0.253 25675 928 1 2 . 1 1 84 84 VAL CA C 84 62.443 62.443 62.263 0.180 25675 929 1 2 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.559 -0.601 25675 930 1 2 . 1 1 84 84 VAL H H 84 7.835 7.835 7.819 0.016 25675 931 1 2 . 1 1 85 85 TYR N N 85 128.110 128.110 124.503 3.607 25675 932 1 2 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.497 -0.800 25675 933 1 2 . 1 1 85 85 TYR C C 85 174.313 174.313 174.069 0.244 25675 934 1 2 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.725 3.396 25675 935 1 2 . 1 1 85 85 TYR CB C 85 40.540 40.540 41.218 -0.678 25675 936 1 2 . 1 1 85 85 TYR H H 85 8.886 8.886 9.102 -0.216 25675 937 1 2 . 1 1 86 86 VAL N N 86 122.593 122.593 123.502 -0.909 25675 938 1 2 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.895 0.860 25675 939 1 2 . 1 1 86 86 VAL C C 86 176.531 176.531 175.545 0.986 25675 940 1 2 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.443 -0.444 25675 941 1 2 . 1 1 86 86 VAL CB C 86 33.419 33.419 32.743 0.676 25675 942 1 2 . 1 1 86 86 VAL H H 86 9.473 9.473 7.873 1.600 25675 943 1 2 . 1 1 87 87 VAL N N 87 124.298 124.298 126.824 -2.526 25675 944 1 2 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.038 -0.251 25675 945 1 2 . 1 1 87 87 VAL C C 87 174.735 174.735 175.433 -0.698 25675 946 1 2 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.275 1.451 25675 947 1 2 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.375 1.348 25675 948 1 2 . 1 1 87 87 VAL H H 87 7.864 7.864 8.210 -0.346 25675 949 1 2 . 1 1 88 88 ASN N N 88 123.146 123.146 125.349 -2.203 25675 950 1 2 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.740 0.034 25675 951 1 2 . 1 1 88 88 ASN C C 88 172.900 172.900 174.111 -1.211 25675 952 1 2 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.088 -0.756 25675 953 1 2 . 1 1 88 88 ASN CB C 88 40.773 40.773 40.368 0.405 25675 954 1 2 . 1 1 88 88 ASN H H 88 7.786 7.786 8.154 -0.368 25675 955 1 3 . 1 1 3 3 GLY C C 3 173.761 173.761 174.301 -0.540 25675 956 1 3 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.946 0.184 25675 957 1 3 . 1 1 4 4 SER N N 4 115.011 115.011 117.077 -2.066 25675 958 1 3 . 1 1 4 4 SER HA H 4 4.304 4.304 4.922 -0.618 25675 959 1 3 . 1 1 4 4 SER C C 4 174.600 174.600 174.226 0.374 25675 960 1 3 . 1 1 4 4 SER CA C 4 57.900 57.900 57.543 0.357 25675 961 1 3 . 1 1 4 4 SER CB C 4 63.800 63.800 64.637 -0.837 25675 962 1 3 . 1 1 4 4 SER H H 4 8.185 8.185 8.364 -0.179 25675 963 1 3 . 1 1 5 5 HIS N N 5 120.326 120.326 124.674 -4.348 25675 964 1 3 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.597 0.005 25675 965 1 3 . 1 1 5 5 HIS C C 5 174.200 174.200 175.353 -1.153 25675 966 1 3 . 1 1 5 5 HIS CA C 5 55.268 55.268 57.225 -1.958 25675 967 1 3 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.631 -1.631 25675 968 1 3 . 1 1 5 5 HIS H H 5 8.641 8.641 8.867 -0.226 25675 969 1 3 . 1 1 6 6 HIS N N 6 119.478 119.478 116.581 2.897 25675 970 1 3 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.725 -0.098 25675 971 1 3 . 1 1 6 6 HIS C C 6 174.100 174.100 175.563 -1.463 25675 972 1 3 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.189 0.079 25675 973 1 3 . 1 1 6 6 HIS CB C 6 29.300 29.300 32.167 -2.867 25675 974 1 3 . 1 1 6 6 HIS H H 6 8.555 8.555 8.191 0.364 25675 975 1 3 . 1 1 7 7 HIS N N 7 120.507 120.507 117.526 2.981 25675 976 1 3 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.260 0.321 25675 977 1 3 . 1 1 7 7 HIS C C 7 174.100 174.100 174.618 -0.518 25675 978 1 3 . 1 1 7 7 HIS CA C 7 55.268 55.268 57.338 -2.070 25675 979 1 3 . 1 1 7 7 HIS CB C 7 29.300 29.300 30.003 -0.703 25675 980 1 3 . 1 1 7 7 HIS H H 7 8.777 8.777 8.907 -0.130 25675 981 1 3 . 1 1 8 8 HIS N N 8 120.616 120.616 115.525 5.091 25675 982 1 3 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.662 -0.062 25675 983 1 3 . 1 1 8 8 HIS C C 8 174.200 174.200 173.577 0.623 25675 984 1 3 . 1 1 8 8 HIS CA C 8 55.268 55.268 55.227 0.042 25675 985 1 3 . 1 1 8 8 HIS CB C 8 29.300 29.300 32.682 -3.382 25675 986 1 3 . 1 1 8 8 HIS H H 8 8.777 8.777 7.738 1.039 25675 987 1 3 . 1 1 9 9 HIS N N 9 121.131 121.131 120.652 0.479 25675 988 1 3 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.623 -0.043 25675 989 1 3 . 1 1 9 9 HIS C C 9 173.990 173.990 175.495 -1.505 25675 990 1 3 . 1 1 9 9 HIS CA C 9 55.000 55.000 57.359 -2.359 25675 991 1 3 . 1 1 9 9 HIS CB C 9 29.400 29.400 29.376 0.024 25675 992 1 3 . 1 1 9 9 HIS H H 9 8.785 8.785 8.784 0.001 25675 993 1 3 . 1 1 10 10 HIS N N 10 121.437 121.437 124.838 -3.401 25675 994 1 3 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.613 -0.019 25675 995 1 3 . 1 1 10 10 HIS C C 10 174.577 174.577 175.040 -0.463 25675 996 1 3 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.958 -0.690 25675 997 1 3 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.758 -1.858 25675 998 1 3 . 1 1 10 10 HIS H H 10 8.769 8.769 8.968 -0.199 25675 999 1 3 . 1 1 11 11 GLY N N 11 111.579 111.579 106.533 5.046 25675 1000 1 3 . 1 1 11 11 GLY C C 11 174.184 174.184 172.490 1.694 25675 1001 1 3 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.455 0.885 25675 1002 1 3 . 1 1 11 11 GLY H H 11 8.559 8.559 7.647 0.912 25675 1003 1 3 . 1 1 12 12 SER N N 12 115.987 115.987 115.996 -0.009 25675 1004 1 3 . 1 1 12 12 SER HA H 12 4.407 4.407 4.891 -0.484 25675 1005 1 3 . 1 1 12 12 SER C C 12 174.817 174.817 175.384 -0.567 25675 1006 1 3 . 1 1 12 12 SER CA C 12 58.529 58.529 57.313 1.216 25675 1007 1 3 . 1 1 12 12 SER CB C 12 63.780 63.780 65.437 -1.657 25675 1008 1 3 . 1 1 12 12 SER H H 12 8.353 8.353 8.414 -0.061 25675 1009 1 3 . 1 1 13 13 MET N N 13 121.805 121.805 121.284 0.521 25675 1010 1 3 . 1 1 13 13 MET HA H 13 4.521 4.521 4.450 0.071 25675 1011 1 3 . 1 1 13 13 MET C C 13 176.003 176.003 176.404 -0.401 25675 1012 1 3 . 1 1 13 13 MET CA C 13 55.503 55.503 56.878 -1.375 25675 1013 1 3 . 1 1 13 13 MET CB C 13 32.843 32.843 32.611 0.232 25675 1014 1 3 . 1 1 13 13 MET H H 13 8.432 8.432 8.564 -0.132 25675 1015 1 3 . 1 1 14 14 SER N N 14 116.515 116.515 115.283 1.232 25675 1016 1 3 . 1 1 14 14 SER HA H 14 4.265 4.265 4.308 -0.043 25675 1017 1 3 . 1 1 14 14 SER C C 14 174.055 174.055 174.683 -0.628 25675 1018 1 3 . 1 1 14 14 SER H H 14 8.205 8.205 7.835 0.370 25675 1019 1 3 . 1 1 15 15 GLU N N 15 122.455 122.455 120.653 1.802 25675 1020 1 3 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.675 -0.440 25675 1021 1 3 . 1 1 15 15 GLU C C 15 174.900 174.900 175.033 -0.133 25675 1022 1 3 . 1 1 15 15 GLU CA C 15 55.628 55.628 54.900 0.728 25675 1023 1 3 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.205 -0.980 25675 1024 1 3 . 1 1 15 15 GLU H H 15 8.292 8.292 8.720 -0.428 25675 1025 1 3 . 1 1 16 16 TYR N N 16 118.896 118.896 114.049 4.847 25675 1026 1 3 . 1 1 16 16 TYR HA H 16 5.061 5.061 5.142 -0.081 25675 1027 1 3 . 1 1 16 16 TYR C C 16 174.935 174.935 174.551 0.384 25675 1028 1 3 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.604 1.108 25675 1029 1 3 . 1 1 16 16 TYR CB C 16 41.507 41.507 41.232 0.275 25675 1030 1 3 . 1 1 16 16 TYR H H 16 7.955 7.955 7.819 0.136 25675 1031 1 3 . 1 1 17 17 ILE N N 17 115.711 115.711 121.184 -5.473 25675 1032 1 3 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.394 0.155 25675 1033 1 3 . 1 1 17 17 ILE C C 17 174.747 174.747 173.838 0.909 25675 1034 1 3 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.876 -0.434 25675 1035 1 3 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.232 0.627 25675 1036 1 3 . 1 1 17 17 ILE H H 17 8.890 8.890 8.035 0.855 25675 1037 1 3 . 1 1 18 18 ARG N N 18 123.175 123.175 129.199 -6.024 25675 1038 1 3 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.520 -0.640 25675 1039 1 3 . 1 1 18 18 ARG C C 18 174.988 174.988 174.953 0.035 25675 1040 1 3 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.620 1.224 25675 1041 1 3 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.631 0.099 25675 1042 1 3 . 1 1 18 18 ARG H H 18 8.636 8.636 8.382 0.254 25675 1043 1 3 . 1 1 19 19 VAL N N 19 122.554 122.554 120.330 2.224 25675 1044 1 3 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.729 -0.265 25675 1045 1 3 . 1 1 19 19 VAL C C 19 173.984 173.984 174.639 -0.655 25675 1046 1 3 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.006 0.888 25675 1047 1 3 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.482 0.227 25675 1048 1 3 . 1 1 19 19 VAL H H 19 8.916 8.916 8.258 0.658 25675 1049 1 3 . 1 1 20 20 THR N N 20 118.638 118.638 114.827 3.811 25675 1050 1 3 . 1 1 20 20 THR HA H 20 5.081 5.081 4.870 0.211 25675 1051 1 3 . 1 1 20 20 THR C C 20 172.312 172.312 174.359 -2.047 25675 1052 1 3 . 1 1 20 20 THR CA C 20 57.731 57.731 59.242 -1.511 25675 1053 1 3 . 1 1 20 20 THR CB C 20 71.835 71.835 71.010 0.825 25675 1054 1 3 . 1 1 20 20 THR H H 20 8.794 8.794 8.115 0.679 25675 1055 1 3 . 1 1 21 21 GLU N N 21 124.307 124.307 123.847 0.460 25675 1056 1 3 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.631 0.543 25675 1057 1 3 . 1 1 21 21 GLU C C 21 175.258 175.258 176.304 -1.046 25675 1058 1 3 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.878 -1.978 25675 1059 1 3 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.207 -1.255 25675 1060 1 3 . 1 1 21 21 GLU H H 21 8.792 8.792 9.015 -0.223 25675 1061 1 3 . 1 1 22 22 ASP N N 22 117.282 117.282 117.049 0.233 25675 1062 1 3 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.765 -0.161 25675 1063 1 3 . 1 1 22 22 ASP C C 22 175.387 175.387 176.406 -1.019 25675 1064 1 3 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.414 0.051 25675 1065 1 3 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.462 -0.587 25675 1066 1 3 . 1 1 22 22 ASP H H 22 7.932 7.932 7.519 0.413 25675 1067 1 3 . 1 1 23 23 GLU N N 23 123.785 123.785 119.467 4.318 25675 1068 1 3 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.063 -0.125 25675 1069 1 3 . 1 1 23 23 GLU C C 23 176.062 176.062 177.548 -1.486 25675 1070 1 3 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.860 0.582 25675 1071 1 3 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.776 -0.340 25675 1072 1 3 . 1 1 23 23 GLU H H 23 9.232 9.232 8.648 0.584 25675 1073 1 3 . 1 1 24 24 ASN N N 24 115.807 115.807 117.803 -1.996 25675 1074 1 3 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.598 0.090 25675 1075 1 3 . 1 1 24 24 ASN C C 24 174.636 174.636 175.055 -0.419 25675 1076 1 3 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.099 -0.201 25675 1077 1 3 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.505 0.398 25675 1078 1 3 . 1 1 24 24 ASN H H 24 8.694 8.694 8.092 0.602 25675 1079 1 3 . 1 1 25 25 ASP N N 25 119.629 119.629 118.982 0.647 25675 1080 1 3 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.702 0.253 25675 1081 1 3 . 1 1 25 25 ASP C C 25 175.269 175.269 175.853 -0.584 25675 1082 1 3 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.163 -0.973 25675 1083 1 3 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.169 -1.377 25675 1084 1 3 . 1 1 25 25 ASP H H 25 7.987 7.987 8.092 -0.105 25675 1085 1 3 . 1 1 26 26 GLU N N 26 123.692 123.692 124.784 -1.092 25675 1086 1 3 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.349 0.173 25675 1087 1 3 . 1 1 26 26 GLU CA C 26 54.120 54.120 54.975 -0.855 25675 1088 1 3 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.203 -0.305 25675 1089 1 3 . 1 1 26 26 GLU H H 26 8.718 8.718 8.602 0.116 25675 1090 1 3 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.540 0.189 25675 1091 1 3 . 1 1 27 27 PRO C C 27 176.126 176.126 175.837 0.289 25675 1092 1 3 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.604 -0.253 25675 1093 1 3 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.602 1.917 25675 1094 1 3 . 1 1 28 28 ILE N N 28 118.646 118.646 125.983 -7.337 25675 1095 1 3 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.202 0.272 25675 1096 1 3 . 1 1 28 28 ILE C C 28 175.181 175.181 174.514 0.667 25675 1097 1 3 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.771 -0.323 25675 1098 1 3 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.309 0.317 25675 1099 1 3 . 1 1 28 28 ILE H H 28 9.244 9.244 8.012 1.232 25675 1100 1 3 . 1 1 29 29 GLU N N 29 120.763 120.763 128.173 -7.410 25675 1101 1 3 . 1 1 29 29 GLU HA H 29 4.905 4.905 4.986 -0.081 25675 1102 1 3 . 1 1 29 29 GLU C C 29 175.739 175.739 175.373 0.366 25675 1103 1 3 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.583 0.705 25675 1104 1 3 . 1 1 29 29 GLU CB C 29 29.040 29.040 29.766 -0.726 25675 1105 1 3 . 1 1 29 29 GLU H H 29 8.220 8.220 8.329 -0.109 25675 1106 1 3 . 1 1 30 30 ILE N N 30 124.950 124.950 119.253 5.697 25675 1107 1 3 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.732 0.014 25675 1108 1 3 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.575 -1.861 25675 1109 1 3 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.127 -0.274 25675 1110 1 3 . 1 1 30 30 ILE H H 30 9.307 9.307 8.546 0.761 25675 1111 1 3 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.648 -0.265 25675 1112 1 3 . 1 1 31 31 PRO C C 31 175.768 175.768 176.310 -0.542 25675 1113 1 3 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.893 -0.111 25675 1114 1 3 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.079 0.288 25675 1115 1 3 . 1 1 32 32 SER N N 32 114.522 114.522 116.933 -2.411 25675 1116 1 3 . 1 1 32 32 SER HA H 32 4.567 4.567 4.764 -0.197 25675 1117 1 3 . 1 1 32 32 SER C C 32 175.170 175.170 173.871 1.299 25675 1118 1 3 . 1 1 32 32 SER CA C 32 56.211 56.211 56.305 -0.094 25675 1119 1 3 . 1 1 32 32 SER CB C 32 65.701 65.701 66.115 -0.414 25675 1120 1 3 . 1 1 32 32 SER H H 32 7.835 7.835 8.246 -0.411 25675 1121 1 3 . 1 1 33 33 GLU N N 33 118.001 118.001 120.425 -2.424 25675 1122 1 3 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.213 0.080 25675 1123 1 3 . 1 1 33 33 GLU C C 33 178.843 178.843 176.718 2.125 25675 1124 1 3 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.000 -0.407 25675 1125 1 3 . 1 1 33 33 GLU H H 33 9.229 9.229 8.420 0.809 25675 1126 1 3 . 1 1 34 34 ASP N N 34 122.097 122.097 119.670 2.427 25675 1127 1 3 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.471 -0.199 25675 1128 1 3 . 1 1 34 34 ASP C C 34 175.680 175.680 177.913 -2.233 25675 1129 1 3 . 1 1 34 34 ASP CA C 34 56.962 56.962 57.063 -0.101 25675 1130 1 3 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.890 -0.804 25675 1131 1 3 . 1 1 34 34 ASP H H 34 9.067 9.067 8.700 0.367 25675 1132 1 3 . 1 1 35 35 ASP N N 35 115.678 115.678 117.664 -1.986 25675 1133 1 3 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.459 0.036 25675 1134 1 3 . 1 1 35 35 ASP C C 35 177.470 177.470 177.248 0.222 25675 1135 1 3 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.791 -2.876 25675 1136 1 3 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.429 -0.616 25675 1137 1 3 . 1 1 35 35 ASP H H 35 7.701 7.701 8.503 -0.802 25675 1138 1 3 . 1 1 36 36 GLY N N 36 107.781 107.781 106.293 1.488 25675 1139 1 3 . 1 1 36 36 GLY C C 36 175.387 175.387 174.121 1.266 25675 1140 1 3 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.434 0.092 25675 1141 1 3 . 1 1 36 36 GLY H H 36 8.211 8.211 7.620 0.591 25675 1142 1 3 . 1 1 37 37 THR N N 37 113.224 113.224 113.229 -0.005 25675 1143 1 3 . 1 1 37 37 THR HA H 37 4.787 4.787 4.940 -0.153 25675 1144 1 3 . 1 1 37 37 THR C C 37 175.874 175.874 173.705 2.169 25675 1145 1 3 . 1 1 37 37 THR CA C 37 61.569 61.569 60.703 0.866 25675 1146 1 3 . 1 1 37 37 THR CB C 37 71.292 71.292 71.007 0.285 25675 1147 1 3 . 1 1 37 37 THR H H 37 7.890 7.890 7.642 0.248 25675 1148 1 3 . 1 1 38 38 VAL N N 38 117.698 117.698 119.147 -1.449 25675 1149 1 3 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.377 -0.030 25675 1150 1 3 . 1 1 38 38 VAL C C 38 175.187 175.187 174.328 0.859 25675 1151 1 3 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.189 -0.152 25675 1152 1 3 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.454 0.020 25675 1153 1 3 . 1 1 38 38 VAL H H 38 8.382 8.382 8.399 -0.017 25675 1154 1 3 . 1 1 39 39 LEU N N 39 126.182 126.182 127.113 -0.931 25675 1155 1 3 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.272 0.227 25675 1156 1 3 . 1 1 39 39 LEU C C 39 178.655 178.655 177.434 1.221 25675 1157 1 3 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.441 -0.447 25675 1158 1 3 . 1 1 39 39 LEU CB C 39 40.660 40.660 43.366 -2.706 25675 1159 1 3 . 1 1 39 39 LEU H H 39 8.516 8.516 8.633 -0.117 25675 1160 1 3 . 1 1 40 40 LEU N N 40 125.652 125.652 125.553 0.099 25675 1161 1 3 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.096 -0.123 25675 1162 1 3 . 1 1 40 40 LEU C C 40 178.620 178.620 178.732 -0.112 25675 1163 1 3 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.795 0.461 25675 1164 1 3 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.290 -0.292 25675 1165 1 3 . 1 1 40 40 LEU H H 40 8.666 8.666 8.749 -0.083 25675 1166 1 3 . 1 1 41 41 SER N N 41 112.797 112.797 113.609 -0.812 25675 1167 1 3 . 1 1 41 41 SER HA H 41 4.359 4.359 4.211 0.148 25675 1168 1 3 . 1 1 41 41 SER C C 41 176.760 176.760 176.462 0.298 25675 1169 1 3 . 1 1 41 41 SER CA C 41 60.390 60.390 61.595 -1.205 25675 1170 1 3 . 1 1 41 41 SER CB C 41 62.032 62.032 63.086 -1.054 25675 1171 1 3 . 1 1 41 41 SER H H 41 8.758 8.758 8.367 0.391 25675 1172 1 3 . 1 1 42 42 THR N N 42 121.066 121.066 118.630 2.436 25675 1173 1 3 . 1 1 42 42 THR HA H 42 3.993 3.993 4.003 -0.010 25675 1174 1 3 . 1 1 42 42 THR C C 42 176.226 176.226 176.095 0.131 25675 1175 1 3 . 1 1 42 42 THR CA C 42 65.206 65.206 65.726 -0.520 25675 1176 1 3 . 1 1 42 42 THR CB C 42 67.912 67.912 68.796 -0.884 25675 1177 1 3 . 1 1 42 42 THR H H 42 7.461 7.461 7.432 0.029 25675 1178 1 3 . 1 1 43 43 VAL N N 43 120.996 120.996 121.145 -0.149 25675 1179 1 3 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.726 -0.132 25675 1180 1 3 . 1 1 43 43 VAL C C 43 178.796 178.796 177.564 1.232 25675 1181 1 3 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.267 0.541 25675 1182 1 3 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.374 0.466 25675 1183 1 3 . 1 1 43 43 VAL H H 43 7.288 7.288 7.437 -0.149 25675 1184 1 3 . 1 1 44 44 THR N N 44 113.305 113.305 111.525 1.780 25675 1185 1 3 . 1 1 44 44 THR HA H 44 4.202 4.202 4.326 -0.124 25675 1186 1 3 . 1 1 44 44 THR C C 44 176.337 176.337 175.358 0.979 25675 1187 1 3 . 1 1 44 44 THR CA C 44 64.358 64.358 64.528 -0.170 25675 1188 1 3 . 1 1 44 44 THR CB C 44 68.969 68.969 68.732 0.237 25675 1189 1 3 . 1 1 44 44 THR H H 44 9.189 9.189 7.665 1.524 25675 1190 1 3 . 1 1 45 45 ALA N N 45 121.618 121.618 124.258 -2.640 25675 1191 1 3 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.014 0.035 25675 1192 1 3 . 1 1 45 45 ALA C C 45 178.685 178.685 178.711 -0.026 25675 1193 1 3 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.393 0.233 25675 1194 1 3 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.671 -0.394 25675 1195 1 3 . 1 1 45 45 ALA H H 45 7.274 7.274 7.178 0.096 25675 1196 1 3 . 1 1 46 46 GLN N N 46 112.595 112.595 114.570 -1.975 25675 1197 1 3 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.234 -0.104 25675 1198 1 3 . 1 1 46 46 GLN C C 46 174.823 174.823 175.362 -0.539 25675 1199 1 3 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.652 -0.402 25675 1200 1 3 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.141 -0.221 25675 1201 1 3 . 1 1 46 46 GLN H H 46 6.860 6.860 7.614 -0.754 25675 1202 1 3 . 1 1 47 47 PHE N N 47 118.197 118.197 118.614 -0.417 25675 1203 1 3 . 1 1 47 47 PHE HA H 47 4.965 4.965 4.972 -0.007 25675 1204 1 3 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.725 1.016 25675 1205 1 3 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.352 0.262 25675 1206 1 3 . 1 1 47 47 PHE H H 47 8.344 8.344 7.570 0.774 25675 1207 1 3 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.426 0.014 25675 1208 1 3 . 1 1 48 48 PRO C C 48 178.626 178.626 177.769 0.857 25675 1209 1 3 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.639 0.701 25675 1210 1 3 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.894 -0.448 25675 1211 1 3 . 1 1 49 49 GLY N N 49 111.697 111.697 111.023 0.674 25675 1212 1 3 . 1 1 49 49 GLY C C 49 174.307 174.307 173.778 0.529 25675 1213 1 3 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.645 0.116 25675 1214 1 3 . 1 1 49 49 GLY H H 49 8.849 8.849 8.693 0.156 25675 1215 1 3 . 1 1 50 50 ALA N N 50 122.602 122.602 122.345 0.257 25675 1216 1 3 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.061 -0.233 25675 1217 1 3 . 1 1 50 50 ALA C C 50 177.534 177.534 176.136 1.398 25675 1218 1 3 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.178 1.228 25675 1219 1 3 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.710 1.680 25675 1220 1 3 . 1 1 50 50 ALA H H 50 8.032 8.032 7.344 0.688 25675 1221 1 3 . 1 1 51 51 CYS N N 51 114.410 114.410 123.100 -8.690 25675 1222 1 3 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.592 -0.047 25675 1223 1 3 . 1 1 51 51 CYS C C 51 174.248 174.248 174.883 -0.635 25675 1224 1 3 . 1 1 51 51 CYS CA C 51 57.407 57.407 58.951 -1.544 25675 1225 1 3 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.576 0.237 25675 1226 1 3 . 1 1 51 51 CYS H H 51 9.094 9.094 8.625 0.469 25675 1227 1 3 . 1 1 52 52 GLY N N 52 106.620 106.620 108.394 -1.774 25675 1228 1 3 . 1 1 52 52 GLY C C 52 170.769 170.769 172.256 -1.487 25675 1229 1 3 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.568 0.393 25675 1230 1 3 . 1 1 52 52 GLY H H 52 7.467 7.467 7.990 -0.523 25675 1231 1 3 . 1 1 53 53 LEU N N 53 117.961 117.961 122.926 -4.965 25675 1232 1 3 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.485 -0.140 25675 1233 1 3 . 1 1 53 53 LEU C C 53 175.563 175.563 176.391 -0.828 25675 1234 1 3 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.503 1.149 25675 1235 1 3 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.825 4.760 25675 1236 1 3 . 1 1 53 53 LEU H H 53 8.900 8.900 8.353 0.547 25675 1237 1 3 . 1 1 54 54 ARG N N 54 119.739 119.739 120.764 -1.025 25675 1238 1 3 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.734 0.877 25675 1239 1 3 . 1 1 54 54 ARG C C 54 173.638 173.638 174.976 -1.338 25675 1240 1 3 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.186 0.261 25675 1241 1 3 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.152 0.386 25675 1242 1 3 . 1 1 54 54 ARG H H 54 9.493 9.493 8.425 1.068 25675 1243 1 3 . 1 1 55 55 TYR N N 55 115.879 115.879 118.477 -2.598 25675 1244 1 3 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.744 0.044 25675 1245 1 3 . 1 1 55 55 TYR C C 55 172.417 172.417 174.662 -2.245 25675 1246 1 3 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.963 -1.970 25675 1247 1 3 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.029 1.071 25675 1248 1 3 . 1 1 55 55 TYR H H 55 8.972 8.972 8.441 0.531 25675 1249 1 3 . 1 1 56 56 ARG N N 56 121.380 121.380 124.022 -2.642 25675 1250 1 3 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.742 -0.459 25675 1251 1 3 . 1 1 56 56 ARG C C 56 175.598 175.598 174.057 1.541 25675 1252 1 3 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.474 0.694 25675 1253 1 3 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.210 -1.457 25675 1254 1 3 . 1 1 56 56 ARG H H 56 8.883 8.883 8.745 0.138 25675 1255 1 3 . 1 1 57 57 ASN N N 57 127.980 127.980 124.895 3.085 25675 1256 1 3 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.248 -0.440 25675 1257 1 3 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.282 0.973 25675 1258 1 3 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.182 -1.441 25675 1259 1 3 . 1 1 57 57 ASN H H 57 8.428 8.428 8.628 -0.200 25675 1260 1 3 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.471 -0.178 25675 1261 1 3 . 1 1 58 58 PRO C C 58 177.241 177.241 176.823 0.418 25675 1262 1 3 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.835 -0.243 25675 1263 1 3 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.871 0.417 25675 1264 1 3 . 1 1 59 59 VAL N N 59 117.104 117.104 113.600 3.504 25675 1265 1 3 . 1 1 59 59 VAL HA H 59 3.909 3.909 3.934 -0.025 25675 1266 1 3 . 1 1 59 59 VAL C C 59 177.077 177.077 176.936 0.141 25675 1267 1 3 . 1 1 59 59 VAL CA C 59 64.722 64.722 65.011 -0.289 25675 1268 1 3 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.666 0.295 25675 1269 1 3 . 1 1 59 59 VAL H H 59 7.965 7.965 8.007 -0.042 25675 1270 1 3 . 1 1 60 60 SER N N 60 113.119 113.119 114.908 -1.789 25675 1271 1 3 . 1 1 60 60 SER HA H 60 4.427 4.427 4.348 0.079 25675 1272 1 3 . 1 1 60 60 SER C C 60 175.252 175.252 174.692 0.560 25675 1273 1 3 . 1 1 60 60 SER CA C 60 58.314 58.314 58.383 -0.069 25675 1274 1 3 . 1 1 60 60 SER CB C 60 65.134 65.134 63.281 1.853 25675 1275 1 3 . 1 1 60 60 SER H H 60 7.691 7.691 7.505 0.186 25675 1276 1 3 . 1 1 61 61 GLN N N 61 115.138 115.138 117.267 -2.129 25675 1277 1 3 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.949 -0.089 25675 1278 1 3 . 1 1 61 61 GLN C C 61 174.882 174.882 175.144 -0.262 25675 1279 1 3 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.120 0.216 25675 1280 1 3 . 1 1 61 61 GLN CB C 61 26.000 26.000 25.973 0.027 25675 1281 1 3 . 1 1 61 61 GLN H H 61 8.309 8.309 8.254 0.055 25675 1282 1 3 . 1 1 62 62 CYS N N 62 116.568 116.568 118.293 -1.725 25675 1283 1 3 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.436 0.096 25675 1284 1 3 . 1 1 62 62 CYS C C 62 174.242 174.242 174.797 -0.555 25675 1285 1 3 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.770 -0.686 25675 1286 1 3 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.354 -0.097 25675 1287 1 3 . 1 1 62 62 CYS H H 62 7.664 7.664 7.920 -0.256 25675 1288 1 3 . 1 1 63 63 MET N N 63 122.627 122.627 123.174 -0.547 25675 1289 1 3 . 1 1 63 63 MET HA H 63 4.095 4.095 4.762 -0.667 25675 1290 1 3 . 1 1 63 63 MET C C 63 176.437 176.437 175.316 1.121 25675 1291 1 3 . 1 1 63 63 MET CA C 63 54.992 54.992 54.231 0.761 25675 1292 1 3 . 1 1 63 63 MET CB C 63 32.828 32.828 31.759 1.069 25675 1293 1 3 . 1 1 63 63 MET H H 63 8.733 8.733 8.394 0.339 25675 1294 1 3 . 1 1 64 64 ARG N N 64 124.300 124.300 121.078 3.222 25675 1295 1 3 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.346 0.121 25675 1296 1 3 . 1 1 64 64 ARG C C 64 174.618 174.618 175.547 -0.929 25675 1297 1 3 . 1 1 64 64 ARG CA C 64 53.788 53.788 56.826 -3.038 25675 1298 1 3 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.474 2.062 25675 1299 1 3 . 1 1 64 64 ARG H H 64 8.995 8.995 7.766 1.229 25675 1300 1 3 . 1 1 65 65 GLY N N 65 122.716 122.716 105.998 16.718 25675 1301 1 3 . 1 1 65 65 GLY C C 65 174.589 174.589 173.563 1.026 25675 1302 1 3 . 1 1 65 65 GLY H H 65 8.474 8.474 8.429 0.045 25675 1303 1 3 . 1 1 66 66 VAL N N 66 124.050 124.050 122.226 1.824 25675 1304 1 3 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.536 0.659 25675 1305 1 3 . 1 1 66 66 VAL C C 66 176.220 176.220 175.538 0.682 25675 1306 1 3 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.452 -0.975 25675 1307 1 3 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.144 0.533 25675 1308 1 3 . 1 1 66 66 VAL H H 66 8.313 8.313 7.697 0.616 25675 1309 1 3 . 1 1 67 67 ARG N N 67 131.490 131.490 128.113 3.377 25675 1310 1 3 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.468 -0.420 25675 1311 1 3 . 1 1 67 67 ARG C C 67 173.497 173.497 174.427 -0.930 25675 1312 1 3 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.968 3.408 25675 1313 1 3 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.742 -0.810 25675 1314 1 3 . 1 1 67 67 ARG H H 67 9.314 9.314 7.886 1.428 25675 1315 1 3 . 1 1 68 68 LEU N N 68 130.230 130.230 126.907 3.323 25675 1316 1 3 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.615 0.589 25675 1317 1 3 . 1 1 68 68 LEU C C 68 175.950 175.950 174.746 1.204 25675 1318 1 3 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.995 -0.181 25675 1319 1 3 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.604 0.489 25675 1320 1 3 . 1 1 68 68 LEU H H 68 8.299 8.299 8.585 -0.286 25675 1321 1 3 . 1 1 69 69 VAL N N 69 127.090 127.090 127.423 -0.333 25675 1322 1 3 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.414 -0.087 25675 1323 1 3 . 1 1 69 69 VAL C C 69 176.155 176.155 175.245 0.910 25675 1324 1 3 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.033 0.321 25675 1325 1 3 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.036 1.069 25675 1326 1 3 . 1 1 69 69 VAL H H 69 9.044 9.044 8.428 0.616 25675 1327 1 3 . 1 1 70 70 GLU N N 70 128.672 128.672 126.030 2.642 25675 1328 1 3 . 1 1 70 70 GLU HA H 70 3.916 3.916 4.011 -0.095 25675 1329 1 3 . 1 1 70 70 GLU C C 70 175.891 175.891 176.418 -0.527 25675 1330 1 3 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.360 -0.530 25675 1331 1 3 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.802 -0.612 25675 1332 1 3 . 1 1 70 70 GLU H H 70 9.646 9.646 9.290 0.356 25675 1333 1 3 . 1 1 71 71 GLY N N 71 117.967 117.967 101.861 16.106 25675 1334 1 3 . 1 1 71 71 GLY C C 71 173.327 173.327 173.870 -0.543 25675 1335 1 3 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.356 0.692 25675 1336 1 3 . 1 1 71 71 GLY H H 71 8.417 8.417 8.208 0.209 25675 1337 1 3 . 1 1 72 72 ILE N N 72 123.402 123.402 123.730 -0.328 25675 1338 1 3 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.354 -0.117 25675 1339 1 3 . 1 1 72 72 ILE C C 72 174.882 174.882 176.057 -1.175 25675 1340 1 3 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.907 -0.479 25675 1341 1 3 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.681 1.170 25675 1342 1 3 . 1 1 72 72 ILE H H 72 8.124 8.124 7.693 0.431 25675 1343 1 3 . 1 1 73 73 LEU N N 73 129.380 129.380 130.305 -0.925 25675 1344 1 3 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.862 0.337 25675 1345 1 3 . 1 1 73 73 LEU C C 73 175.932 175.932 176.911 -0.979 25675 1346 1 3 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.970 0.275 25675 1347 1 3 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.018 1.864 25675 1348 1 3 . 1 1 73 73 LEU H H 73 9.353 9.353 8.629 0.725 25675 1349 1 3 . 1 1 74 74 HIS N N 74 120.040 120.040 126.907 -6.867 25675 1350 1 3 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.728 -0.117 25675 1351 1 3 . 1 1 74 74 HIS C C 74 172.371 172.371 173.096 -0.725 25675 1352 1 3 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.684 -0.859 25675 1353 1 3 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.222 -1.371 25675 1354 1 3 . 1 1 74 74 HIS H H 74 8.541 8.541 8.889 -0.348 25675 1355 1 3 . 1 1 75 75 ALA N N 75 125.980 125.980 129.226 -3.246 25675 1356 1 3 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.818 -2.069 25675 1357 1 3 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.733 1.204 25675 1358 1 3 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.770 -1.822 25675 1359 1 3 . 1 1 75 75 ALA H H 75 8.413 8.413 8.249 0.164 25675 1360 1 3 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.194 0.088 25675 1361 1 3 . 1 1 76 76 PRO C C 76 176.185 176.185 176.041 0.144 25675 1362 1 3 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.874 0.407 25675 1363 1 3 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.535 -0.263 25675 1364 1 3 . 1 1 77 77 ASP N N 77 122.297 122.297 116.767 5.530 25675 1365 1 3 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.397 -0.307 25675 1366 1 3 . 1 1 77 77 ASP C C 77 176.977 176.977 176.861 0.116 25675 1367 1 3 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.140 2.364 25675 1368 1 3 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.514 -0.604 25675 1369 1 3 . 1 1 77 77 ASP H H 77 8.454 8.454 8.294 0.160 25675 1370 1 3 . 1 1 78 78 ALA N N 78 118.586 118.586 120.998 -2.412 25675 1371 1 3 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.361 -0.112 25675 1372 1 3 . 1 1 78 78 ALA C C 78 177.458 177.458 177.450 0.008 25675 1373 1 3 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.288 0.435 25675 1374 1 3 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.032 -1.286 25675 1375 1 3 . 1 1 78 78 ALA H H 78 8.032 8.032 7.634 0.398 25675 1376 1 3 . 1 1 79 79 GLY N N 79 107.830 107.830 105.604 2.226 25675 1377 1 3 . 1 1 79 79 GLY C C 79 172.928 172.928 173.380 -0.452 25675 1378 1 3 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.281 -0.940 25675 1379 1 3 . 1 1 79 79 GLY H H 79 7.902 7.902 7.319 0.583 25675 1380 1 3 . 1 1 80 80 TRP N N 80 119.474 119.474 122.399 -2.925 25675 1381 1 3 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.884 -0.349 25675 1382 1 3 . 1 1 80 80 TRP C C 80 180.190 180.190 177.184 3.006 25675 1383 1 3 . 1 1 80 80 TRP CA C 80 58.670 58.670 57.920 0.750 25675 1384 1 3 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.558 0.528 25675 1385 1 3 . 1 1 80 80 TRP H H 80 8.389 8.389 8.402 -0.013 25675 1386 1 3 . 1 1 81 81 GLY N N 81 103.130 103.130 104.975 -1.845 25675 1387 1 3 . 1 1 81 81 GLY C C 81 174.110 174.110 172.633 1.477 25675 1388 1 3 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.774 1.105 25675 1389 1 3 . 1 1 81 81 GLY H H 81 8.519 8.519 8.306 0.213 25675 1390 1 3 . 1 1 82 82 ASN N N 82 120.652 120.652 119.527 1.125 25675 1391 1 3 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.424 -0.348 25675 1392 1 3 . 1 1 82 82 ASN C C 82 175.211 175.211 174.980 0.231 25675 1393 1 3 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.333 -0.348 25675 1394 1 3 . 1 1 82 82 ASN CB C 82 38.657 38.657 39.014 -0.357 25675 1395 1 3 . 1 1 82 82 ASN H H 82 8.800 8.800 8.585 0.215 25675 1396 1 3 . 1 1 83 83 LEU N N 83 118.129 118.129 115.679 2.450 25675 1397 1 3 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.827 -0.698 25675 1398 1 3 . 1 1 83 83 LEU C C 83 174.442 174.442 175.359 -0.917 25675 1399 1 3 . 1 1 83 83 LEU CA C 83 54.799 54.799 52.919 1.879 25675 1400 1 3 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.666 -0.809 25675 1401 1 3 . 1 1 83 83 LEU H H 83 6.883 6.883 7.587 -0.704 25675 1402 1 3 . 1 1 84 84 VAL N N 84 118.316 118.316 117.152 1.164 25675 1403 1 3 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.276 -0.221 25675 1404 1 3 . 1 1 84 84 VAL C C 84 174.630 174.630 174.923 -0.293 25675 1405 1 3 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.959 0.484 25675 1406 1 3 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.668 -0.710 25675 1407 1 3 . 1 1 84 84 VAL H H 84 7.835 7.835 7.760 0.075 25675 1408 1 3 . 1 1 85 85 TYR N N 85 128.110 128.110 123.839 4.271 25675 1409 1 3 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.449 -0.752 25675 1410 1 3 . 1 1 85 85 TYR C C 85 174.313 174.313 173.818 0.495 25675 1411 1 3 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.679 3.442 25675 1412 1 3 . 1 1 85 85 TYR CB C 85 40.540 40.540 41.304 -0.764 25675 1413 1 3 . 1 1 85 85 TYR H H 85 8.886 8.886 9.029 -0.143 25675 1414 1 3 . 1 1 86 86 VAL N N 86 122.593 122.593 122.904 -0.311 25675 1415 1 3 . 1 1 86 86 VAL HA H 86 4.755 4.755 4.028 0.727 25675 1416 1 3 . 1 1 86 86 VAL C C 86 176.531 176.531 175.969 0.562 25675 1417 1 3 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.829 -0.830 25675 1418 1 3 . 1 1 86 86 VAL CB C 86 33.419 33.419 33.291 0.128 25675 1419 1 3 . 1 1 86 86 VAL H H 86 9.473 9.473 7.795 1.678 25675 1420 1 3 . 1 1 87 87 VAL N N 87 124.298 124.298 127.713 -3.415 25675 1421 1 3 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.079 -0.292 25675 1422 1 3 . 1 1 87 87 VAL C C 87 174.735 174.735 175.547 -0.812 25675 1423 1 3 . 1 1 87 87 VAL CA C 87 63.726 63.726 63.119 0.607 25675 1424 1 3 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.380 0.343 25675 1425 1 3 . 1 1 87 87 VAL H H 87 7.864 7.864 8.387 -0.523 25675 1426 1 3 . 1 1 88 88 ASN N N 88 123.146 123.146 126.252 -3.106 25675 1427 1 3 . 1 1 88 88 ASN HA H 88 4.774 4.774 5.117 -0.343 25675 1428 1 3 . 1 1 88 88 ASN C C 88 172.900 172.900 173.434 -0.534 25675 1429 1 3 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.973 -1.641 25675 1430 1 3 . 1 1 88 88 ASN CB C 88 40.773 40.773 39.912 0.861 25675 1431 1 3 . 1 1 88 88 ASN H H 88 7.786 7.786 8.441 -0.655 25675 1432 1 4 . 1 1 3 3 GLY C C 3 173.761 173.761 173.468 0.293 25675 1433 1 4 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.626 0.504 25675 1434 1 4 . 1 1 4 4 SER N N 4 115.011 115.011 118.265 -3.254 25675 1435 1 4 . 1 1 4 4 SER HA H 4 4.304 4.304 4.747 -0.443 25675 1436 1 4 . 1 1 4 4 SER C C 4 174.600 174.600 174.812 -0.212 25675 1437 1 4 . 1 1 4 4 SER CA C 4 57.900 57.900 57.693 0.207 25675 1438 1 4 . 1 1 4 4 SER CB C 4 63.800 63.800 63.607 0.193 25675 1439 1 4 . 1 1 4 4 SER H H 4 8.185 8.185 8.399 -0.214 25675 1440 1 4 . 1 1 5 5 HIS N N 5 120.326 120.326 127.261 -6.935 25675 1441 1 4 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.364 0.238 25675 1442 1 4 . 1 1 5 5 HIS C C 5 174.200 174.200 175.496 -1.296 25675 1443 1 4 . 1 1 5 5 HIS CA C 5 55.268 55.268 57.615 -2.347 25675 1444 1 4 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.169 -1.169 25675 1445 1 4 . 1 1 5 5 HIS H H 5 8.641 8.641 8.994 -0.353 25675 1446 1 4 . 1 1 6 6 HIS N N 6 119.478 119.478 114.255 5.223 25675 1447 1 4 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.380 0.247 25675 1448 1 4 . 1 1 6 6 HIS C C 6 174.100 174.100 174.088 0.012 25675 1449 1 4 . 1 1 6 6 HIS CA C 6 55.268 55.268 54.663 0.606 25675 1450 1 4 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.865 -1.565 25675 1451 1 4 . 1 1 6 6 HIS H H 6 8.555 8.555 8.396 0.159 25675 1452 1 4 . 1 1 7 7 HIS N N 7 120.507 120.507 117.984 2.523 25675 1453 1 4 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.623 -0.042 25675 1454 1 4 . 1 1 7 7 HIS C C 7 174.100 174.100 175.292 -1.192 25675 1455 1 4 . 1 1 7 7 HIS CA C 7 55.268 55.268 55.367 -0.098 25675 1456 1 4 . 1 1 7 7 HIS CB C 7 29.300 29.300 31.391 -2.091 25675 1457 1 4 . 1 1 7 7 HIS H H 7 8.777 8.777 8.397 0.380 25675 1458 1 4 . 1 1 8 8 HIS N N 8 120.616 120.616 122.747 -2.131 25675 1459 1 4 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.266 0.334 25675 1460 1 4 . 1 1 8 8 HIS C C 8 174.200 174.200 175.467 -1.267 25675 1461 1 4 . 1 1 8 8 HIS CA C 8 55.268 55.268 57.019 -1.750 25675 1462 1 4 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.285 -0.985 25675 1463 1 4 . 1 1 8 8 HIS H H 8 8.777 8.777 8.703 0.074 25675 1464 1 4 . 1 1 9 9 HIS N N 9 121.131 121.131 118.356 2.775 25675 1465 1 4 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.216 0.364 25675 1466 1 4 . 1 1 9 9 HIS C C 9 173.990 173.990 175.191 -1.201 25675 1467 1 4 . 1 1 9 9 HIS CA C 9 55.000 55.000 56.207 -1.207 25675 1468 1 4 . 1 1 9 9 HIS CB C 9 29.400 29.400 30.301 -0.901 25675 1469 1 4 . 1 1 9 9 HIS H H 9 8.785 8.785 8.016 0.769 25675 1470 1 4 . 1 1 10 10 HIS N N 10 121.437 121.437 121.227 0.210 25675 1471 1 4 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.558 0.036 25675 1472 1 4 . 1 1 10 10 HIS C C 10 174.577 174.577 176.025 -1.448 25675 1473 1 4 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.785 -0.517 25675 1474 1 4 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.672 -1.772 25675 1475 1 4 . 1 1 10 10 HIS H H 10 8.769 8.769 8.047 0.722 25675 1476 1 4 . 1 1 11 11 GLY N N 11 111.579 111.579 110.866 0.713 25675 1477 1 4 . 1 1 11 11 GLY C C 11 174.184 174.184 175.032 -0.848 25675 1478 1 4 . 1 1 11 11 GLY CA C 11 45.340 45.340 45.243 0.097 25675 1479 1 4 . 1 1 11 11 GLY H H 11 8.559 8.559 8.653 -0.094 25675 1480 1 4 . 1 1 12 12 SER N N 12 115.987 115.987 120.214 -4.227 25675 1481 1 4 . 1 1 12 12 SER HA H 12 4.407 4.407 4.408 -0.001 25675 1482 1 4 . 1 1 12 12 SER C C 12 174.817 174.817 174.829 -0.012 25675 1483 1 4 . 1 1 12 12 SER CA C 12 58.529 58.529 59.544 -1.015 25675 1484 1 4 . 1 1 12 12 SER CB C 12 63.780 63.780 63.674 0.106 25675 1485 1 4 . 1 1 12 12 SER H H 12 8.353 8.353 8.507 -0.154 25675 1486 1 4 . 1 1 13 13 MET N N 13 121.805 121.805 123.476 -1.671 25675 1487 1 4 . 1 1 13 13 MET HA H 13 4.521 4.521 4.542 -0.021 25675 1488 1 4 . 1 1 13 13 MET C C 13 176.003 176.003 175.432 0.571 25675 1489 1 4 . 1 1 13 13 MET CA C 13 55.503 55.503 54.847 0.656 25675 1490 1 4 . 1 1 13 13 MET CB C 13 32.843 32.843 32.810 0.033 25675 1491 1 4 . 1 1 13 13 MET H H 13 8.432 8.432 7.674 0.758 25675 1492 1 4 . 1 1 14 14 SER N N 14 116.515 116.515 122.196 -5.681 25675 1493 1 4 . 1 1 14 14 SER HA H 14 4.265 4.265 4.453 -0.188 25675 1494 1 4 . 1 1 14 14 SER C C 14 174.055 174.055 174.867 -0.812 25675 1495 1 4 . 1 1 14 14 SER H H 14 8.205 8.205 8.633 -0.428 25675 1496 1 4 . 1 1 15 15 GLU N N 15 122.455 122.455 124.078 -1.623 25675 1497 1 4 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.510 -0.275 25675 1498 1 4 . 1 1 15 15 GLU C C 15 174.900 174.900 175.582 -0.682 25675 1499 1 4 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.636 -0.008 25675 1500 1 4 . 1 1 15 15 GLU CB C 15 30.225 30.225 30.867 -0.642 25675 1501 1 4 . 1 1 15 15 GLU H H 15 8.292 8.292 8.858 -0.566 25675 1502 1 4 . 1 1 16 16 TYR N N 16 118.896 118.896 119.042 -0.146 25675 1503 1 4 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.792 0.269 25675 1504 1 4 . 1 1 16 16 TYR C C 16 174.935 174.935 175.047 -0.112 25675 1505 1 4 . 1 1 16 16 TYR CA C 16 56.712 56.712 56.105 0.607 25675 1506 1 4 . 1 1 16 16 TYR CB C 16 41.507 41.507 40.066 1.440 25675 1507 1 4 . 1 1 16 16 TYR H H 16 7.955 7.955 8.041 -0.086 25675 1508 1 4 . 1 1 17 17 ILE N N 17 115.711 115.711 120.875 -5.164 25675 1509 1 4 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.364 0.185 25675 1510 1 4 . 1 1 17 17 ILE C C 17 174.747 174.747 173.980 0.767 25675 1511 1 4 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.859 -0.417 25675 1512 1 4 . 1 1 17 17 ILE CB C 17 40.859 40.859 39.998 0.861 25675 1513 1 4 . 1 1 17 17 ILE H H 17 8.890 8.890 7.916 0.974 25675 1514 1 4 . 1 1 18 18 ARG N N 18 123.175 123.175 129.204 -6.029 25675 1515 1 4 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.571 -0.691 25675 1516 1 4 . 1 1 18 18 ARG C C 18 174.988 174.988 175.254 -0.266 25675 1517 1 4 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.673 1.171 25675 1518 1 4 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.608 0.122 25675 1519 1 4 . 1 1 18 18 ARG H H 18 8.636 8.636 8.358 0.278 25675 1520 1 4 . 1 1 19 19 VAL N N 19 122.554 122.554 120.285 2.269 25675 1521 1 4 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.636 -0.172 25675 1522 1 4 . 1 1 19 19 VAL C C 19 173.984 173.984 174.727 -0.743 25675 1523 1 4 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.766 0.129 25675 1524 1 4 . 1 1 19 19 VAL CB C 19 35.709 35.709 36.114 -0.404 25675 1525 1 4 . 1 1 19 19 VAL H H 19 8.916 8.916 8.289 0.627 25675 1526 1 4 . 1 1 20 20 THR N N 20 118.638 118.638 114.486 4.152 25675 1527 1 4 . 1 1 20 20 THR HA H 20 5.081 5.081 4.922 0.159 25675 1528 1 4 . 1 1 20 20 THR C C 20 172.312 172.312 174.890 -2.578 25675 1529 1 4 . 1 1 20 20 THR CA C 20 57.731 57.731 59.613 -1.882 25675 1530 1 4 . 1 1 20 20 THR CB C 20 71.835 71.835 71.697 0.138 25675 1531 1 4 . 1 1 20 20 THR H H 20 8.794 8.794 8.121 0.673 25675 1532 1 4 . 1 1 21 21 GLU N N 21 124.307 124.307 122.999 1.308 25675 1533 1 4 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.532 0.642 25675 1534 1 4 . 1 1 21 21 GLU C C 21 175.258 175.258 176.281 -1.023 25675 1535 1 4 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.286 -2.386 25675 1536 1 4 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.182 -1.230 25675 1537 1 4 . 1 1 21 21 GLU H H 21 8.792 8.792 8.803 -0.011 25675 1538 1 4 . 1 1 22 22 ASP N N 22 117.282 117.282 117.219 0.063 25675 1539 1 4 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.715 -0.111 25675 1540 1 4 . 1 1 22 22 ASP C C 22 175.387 175.387 175.641 -0.254 25675 1541 1 4 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.070 0.395 25675 1542 1 4 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.057 -0.182 25675 1543 1 4 . 1 1 22 22 ASP H H 22 7.932 7.932 7.529 0.403 25675 1544 1 4 . 1 1 23 23 GLU N N 23 123.785 123.785 119.296 4.489 25675 1545 1 4 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.120 -0.182 25675 1546 1 4 . 1 1 23 23 GLU C C 23 176.062 176.062 177.682 -1.620 25675 1547 1 4 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.552 0.890 25675 1548 1 4 . 1 1 23 23 GLU CB C 23 29.436 29.436 30.096 -0.660 25675 1549 1 4 . 1 1 23 23 GLU H H 23 9.232 9.232 8.467 0.765 25675 1550 1 4 . 1 1 24 24 ASN N N 24 115.807 115.807 117.281 -1.474 25675 1551 1 4 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.618 0.070 25675 1552 1 4 . 1 1 24 24 ASN C C 24 174.636 174.636 175.018 -0.382 25675 1553 1 4 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.061 -0.163 25675 1554 1 4 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.414 0.489 25675 1555 1 4 . 1 1 24 24 ASN H H 24 8.694 8.694 8.110 0.584 25675 1556 1 4 . 1 1 25 25 ASP N N 25 119.629 119.629 119.157 0.472 25675 1557 1 4 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.673 0.282 25675 1558 1 4 . 1 1 25 25 ASP C C 25 175.269 175.269 175.767 -0.498 25675 1559 1 4 . 1 1 25 25 ASP CA C 25 52.190 52.190 54.261 -2.071 25675 1560 1 4 . 1 1 25 25 ASP CB C 25 40.792 40.792 41.274 -0.482 25675 1561 1 4 . 1 1 25 25 ASP H H 25 7.987 7.987 8.038 -0.051 25675 1562 1 4 . 1 1 26 26 GLU N N 26 123.692 123.692 123.994 -0.302 25675 1563 1 4 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.260 0.262 25675 1564 1 4 . 1 1 26 26 GLU CA C 26 54.120 54.120 54.994 -0.874 25675 1565 1 4 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.985 -1.087 25675 1566 1 4 . 1 1 26 26 GLU H H 26 8.718 8.718 8.426 0.292 25675 1567 1 4 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.500 0.229 25675 1568 1 4 . 1 1 27 27 PRO C C 27 176.126 176.126 175.616 0.510 25675 1569 1 4 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.897 -0.546 25675 1570 1 4 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.936 1.583 25675 1571 1 4 . 1 1 28 28 ILE N N 28 118.646 118.646 125.236 -6.590 25675 1572 1 4 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.298 0.176 25675 1573 1 4 . 1 1 28 28 ILE C C 28 175.181 175.181 174.612 0.569 25675 1574 1 4 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.611 -0.163 25675 1575 1 4 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.535 0.091 25675 1576 1 4 . 1 1 28 28 ILE H H 28 9.244 9.244 8.064 1.180 25675 1577 1 4 . 1 1 29 29 GLU N N 29 120.763 120.763 127.411 -6.648 25675 1578 1 4 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.141 -0.236 25675 1579 1 4 . 1 1 29 29 GLU C C 29 175.739 175.739 175.665 0.074 25675 1580 1 4 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.372 0.916 25675 1581 1 4 . 1 1 29 29 GLU CB C 29 29.040 29.040 29.976 -0.935 25675 1582 1 4 . 1 1 29 29 GLU H H 29 8.220 8.220 8.353 -0.133 25675 1583 1 4 . 1 1 30 30 ILE N N 30 124.950 124.950 118.842 6.108 25675 1584 1 4 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.773 -0.027 25675 1585 1 4 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.534 -1.820 25675 1586 1 4 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.958 -1.105 25675 1587 1 4 . 1 1 30 30 ILE H H 30 9.307 9.307 8.505 0.802 25675 1588 1 4 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.590 -0.207 25675 1589 1 4 . 1 1 31 31 PRO C C 31 175.768 175.768 175.826 -0.058 25675 1590 1 4 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.941 -0.159 25675 1591 1 4 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.046 0.321 25675 1592 1 4 . 1 1 32 32 SER N N 32 114.522 114.522 116.044 -1.522 25675 1593 1 4 . 1 1 32 32 SER HA H 32 4.567 4.567 4.965 -0.398 25675 1594 1 4 . 1 1 32 32 SER C C 32 175.170 175.170 173.293 1.877 25675 1595 1 4 . 1 1 32 32 SER CA C 32 56.211 56.211 57.094 -0.883 25675 1596 1 4 . 1 1 32 32 SER CB C 32 65.701 65.701 66.167 -0.466 25675 1597 1 4 . 1 1 32 32 SER H H 32 7.835 7.835 8.134 -0.299 25675 1598 1 4 . 1 1 33 33 GLU N N 33 118.001 118.001 120.390 -2.389 25675 1599 1 4 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.446 -0.153 25675 1600 1 4 . 1 1 33 33 GLU C C 33 178.843 178.843 176.510 2.333 25675 1601 1 4 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.230 -0.637 25675 1602 1 4 . 1 1 33 33 GLU H H 33 9.229 9.229 8.696 0.533 25675 1603 1 4 . 1 1 34 34 ASP N N 34 122.097 122.097 120.314 1.783 25675 1604 1 4 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.480 -0.208 25675 1605 1 4 . 1 1 34 34 ASP C C 34 175.680 175.680 177.553 -1.873 25675 1606 1 4 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.886 0.076 25675 1607 1 4 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.545 -0.460 25675 1608 1 4 . 1 1 34 34 ASP H H 34 9.067 9.067 8.848 0.219 25675 1609 1 4 . 1 1 35 35 ASP N N 35 115.678 115.678 119.982 -4.304 25675 1610 1 4 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.453 0.042 25675 1611 1 4 . 1 1 35 35 ASP C C 35 177.470 177.470 177.232 0.238 25675 1612 1 4 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.758 -2.842 25675 1613 1 4 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.308 -0.495 25675 1614 1 4 . 1 1 35 35 ASP H H 35 7.701 7.701 8.651 -0.950 25675 1615 1 4 . 1 1 36 36 GLY N N 36 107.781 107.781 106.152 1.629 25675 1616 1 4 . 1 1 36 36 GLY C C 36 175.387 175.387 175.004 0.383 25675 1617 1 4 . 1 1 36 36 GLY CA C 36 45.526 45.526 44.734 0.792 25675 1618 1 4 . 1 1 36 36 GLY H H 36 8.211 8.211 7.985 0.226 25675 1619 1 4 . 1 1 37 37 THR N N 37 113.224 113.224 114.622 -1.398 25675 1620 1 4 . 1 1 37 37 THR HA H 37 4.787 4.787 5.182 -0.395 25675 1621 1 4 . 1 1 37 37 THR C C 37 175.874 175.874 173.654 2.220 25675 1622 1 4 . 1 1 37 37 THR CA C 37 61.569 61.569 61.913 -0.343 25675 1623 1 4 . 1 1 37 37 THR CB C 37 71.292 71.292 71.651 -0.359 25675 1624 1 4 . 1 1 37 37 THR H H 37 7.890 7.890 8.918 -1.028 25675 1625 1 4 . 1 1 38 38 VAL N N 38 117.698 117.698 119.163 -1.465 25675 1626 1 4 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.400 -0.053 25675 1627 1 4 . 1 1 38 38 VAL C C 38 175.187 175.187 174.074 1.113 25675 1628 1 4 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.086 -0.049 25675 1629 1 4 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.815 -0.341 25675 1630 1 4 . 1 1 38 38 VAL H H 38 8.382 8.382 8.626 -0.244 25675 1631 1 4 . 1 1 39 39 LEU N N 39 126.182 126.182 125.794 0.388 25675 1632 1 4 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.374 0.125 25675 1633 1 4 . 1 1 39 39 LEU C C 39 178.655 178.655 177.819 0.836 25675 1634 1 4 . 1 1 39 39 LEU CA C 39 54.994 54.994 54.985 0.009 25675 1635 1 4 . 1 1 39 39 LEU CB C 39 40.660 40.660 43.303 -2.643 25675 1636 1 4 . 1 1 39 39 LEU H H 39 8.516 8.516 8.607 -0.091 25675 1637 1 4 . 1 1 40 40 LEU N N 40 125.652 125.652 127.074 -1.422 25675 1638 1 4 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.022 -0.049 25675 1639 1 4 . 1 1 40 40 LEU C C 40 178.620 178.620 178.599 0.021 25675 1640 1 4 . 1 1 40 40 LEU CA C 40 58.256 58.256 58.057 0.199 25675 1641 1 4 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.348 -0.350 25675 1642 1 4 . 1 1 40 40 LEU H H 40 8.666 8.666 8.759 -0.093 25675 1643 1 4 . 1 1 41 41 SER N N 41 112.797 112.797 112.804 -0.007 25675 1644 1 4 . 1 1 41 41 SER HA H 41 4.359 4.359 4.225 0.134 25675 1645 1 4 . 1 1 41 41 SER C C 41 176.760 176.760 176.345 0.415 25675 1646 1 4 . 1 1 41 41 SER CA C 41 60.390 60.390 60.985 -0.595 25675 1647 1 4 . 1 1 41 41 SER CB C 41 62.032 62.032 62.999 -0.967 25675 1648 1 4 . 1 1 41 41 SER H H 41 8.758 8.758 8.457 0.301 25675 1649 1 4 . 1 1 42 42 THR N N 42 121.066 121.066 117.497 3.569 25675 1650 1 4 . 1 1 42 42 THR HA H 42 3.993 3.993 4.135 -0.142 25675 1651 1 4 . 1 1 42 42 THR C C 42 176.226 176.226 175.664 0.562 25675 1652 1 4 . 1 1 42 42 THR CA C 42 65.206 65.206 65.288 -0.082 25675 1653 1 4 . 1 1 42 42 THR CB C 42 67.912 67.912 69.132 -1.220 25675 1654 1 4 . 1 1 42 42 THR H H 42 7.461 7.461 7.592 -0.131 25675 1655 1 4 . 1 1 43 43 VAL N N 43 120.996 120.996 121.719 -0.723 25675 1656 1 4 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.778 -0.184 25675 1657 1 4 . 1 1 43 43 VAL C C 43 178.796 178.796 177.782 1.014 25675 1658 1 4 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.513 0.295 25675 1659 1 4 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.513 0.327 25675 1660 1 4 . 1 1 43 43 VAL H H 43 7.288 7.288 7.419 -0.131 25675 1661 1 4 . 1 1 44 44 THR N N 44 113.305 113.305 110.280 3.025 25675 1662 1 4 . 1 1 44 44 THR HA H 44 4.202 4.202 4.413 -0.211 25675 1663 1 4 . 1 1 44 44 THR C C 44 176.337 176.337 175.471 0.866 25675 1664 1 4 . 1 1 44 44 THR CA C 44 64.358 64.358 64.442 -0.084 25675 1665 1 4 . 1 1 44 44 THR CB C 44 68.969 68.969 68.809 0.160 25675 1666 1 4 . 1 1 44 44 THR H H 44 9.189 9.189 7.765 1.424 25675 1667 1 4 . 1 1 45 45 ALA N N 45 121.618 121.618 124.343 -2.725 25675 1668 1 4 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.106 -0.057 25675 1669 1 4 . 1 1 45 45 ALA C C 45 178.685 178.685 178.765 -0.080 25675 1670 1 4 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.516 0.110 25675 1671 1 4 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.976 -0.699 25675 1672 1 4 . 1 1 45 45 ALA H H 45 7.274 7.274 7.326 -0.052 25675 1673 1 4 . 1 1 46 46 GLN N N 46 112.595 112.595 113.930 -1.335 25675 1674 1 4 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.237 -0.107 25675 1675 1 4 . 1 1 46 46 GLN C C 46 174.823 174.823 175.363 -0.540 25675 1676 1 4 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.662 -0.412 25675 1677 1 4 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.383 -0.463 25675 1678 1 4 . 1 1 46 46 GLN H H 46 6.860 6.860 7.632 -0.772 25675 1679 1 4 . 1 1 47 47 PHE N N 47 118.197 118.197 118.720 -0.523 25675 1680 1 4 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.058 -0.093 25675 1681 1 4 . 1 1 47 47 PHE CA C 47 54.741 54.741 54.149 0.592 25675 1682 1 4 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.430 0.184 25675 1683 1 4 . 1 1 47 47 PHE H H 47 8.344 8.344 7.592 0.752 25675 1684 1 4 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.505 -0.065 25675 1685 1 4 . 1 1 48 48 PRO C C 48 178.626 178.626 177.631 0.995 25675 1686 1 4 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.574 0.766 25675 1687 1 4 . 1 1 48 48 PRO CB C 48 31.446 31.446 32.170 -0.724 25675 1688 1 4 . 1 1 49 49 GLY N N 49 111.697 111.697 110.638 1.059 25675 1689 1 4 . 1 1 49 49 GLY C C 49 174.307 174.307 173.994 0.313 25675 1690 1 4 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.981 -0.220 25675 1691 1 4 . 1 1 49 49 GLY H H 49 8.849 8.849 8.695 0.154 25675 1692 1 4 . 1 1 50 50 ALA N N 50 122.602 122.602 121.652 0.950 25675 1693 1 4 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.587 -0.759 25675 1694 1 4 . 1 1 50 50 ALA C C 50 177.534 177.534 176.239 1.295 25675 1695 1 4 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.136 1.270 25675 1696 1 4 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.772 1.618 25675 1697 1 4 . 1 1 50 50 ALA H H 50 8.032 8.032 7.584 0.448 25675 1698 1 4 . 1 1 51 51 CYS N N 51 114.410 114.410 124.225 -9.815 25675 1699 1 4 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.598 -0.053 25675 1700 1 4 . 1 1 51 51 CYS C C 51 174.248 174.248 175.016 -0.768 25675 1701 1 4 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.138 -1.730 25675 1702 1 4 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.499 0.314 25675 1703 1 4 . 1 1 51 51 CYS H H 51 9.094 9.094 8.394 0.700 25675 1704 1 4 . 1 1 52 52 GLY N N 52 106.620 106.620 108.382 -1.762 25675 1705 1 4 . 1 1 52 52 GLY C C 52 170.769 170.769 172.212 -1.443 25675 1706 1 4 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.508 0.453 25675 1707 1 4 . 1 1 52 52 GLY H H 52 7.467 7.467 8.155 -0.688 25675 1708 1 4 . 1 1 53 53 LEU N N 53 117.961 117.961 122.331 -4.370 25675 1709 1 4 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.420 -0.075 25675 1710 1 4 . 1 1 53 53 LEU C C 53 175.563 175.563 176.413 -0.850 25675 1711 1 4 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.450 1.202 25675 1712 1 4 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.903 4.682 25675 1713 1 4 . 1 1 53 53 LEU H H 53 8.900 8.900 8.354 0.546 25675 1714 1 4 . 1 1 54 54 ARG N N 54 119.739 119.739 120.798 -1.059 25675 1715 1 4 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.431 1.180 25675 1716 1 4 . 1 1 54 54 ARG C C 54 173.638 173.638 174.545 -0.907 25675 1717 1 4 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.404 0.043 25675 1718 1 4 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.118 0.420 25675 1719 1 4 . 1 1 54 54 ARG H H 54 9.493 9.493 8.382 1.111 25675 1720 1 4 . 1 1 55 55 TYR N N 55 115.879 115.879 118.342 -2.463 25675 1721 1 4 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.723 0.065 25675 1722 1 4 . 1 1 55 55 TYR C C 55 172.417 172.417 174.513 -2.096 25675 1723 1 4 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.834 -1.841 25675 1724 1 4 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.312 0.788 25675 1725 1 4 . 1 1 55 55 TYR H H 55 8.972 8.972 8.075 0.897 25675 1726 1 4 . 1 1 56 56 ARG N N 56 121.380 121.380 123.723 -2.343 25675 1727 1 4 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.736 -0.453 25675 1728 1 4 . 1 1 56 56 ARG C C 56 175.598 175.598 174.227 1.371 25675 1729 1 4 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.431 0.737 25675 1730 1 4 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.330 -1.577 25675 1731 1 4 . 1 1 56 56 ARG H H 56 8.883 8.883 8.452 0.431 25675 1732 1 4 . 1 1 57 57 ASN N N 57 127.980 127.980 124.778 3.202 25675 1733 1 4 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.192 -0.384 25675 1734 1 4 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.104 1.151 25675 1735 1 4 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.027 -1.286 25675 1736 1 4 . 1 1 57 57 ASN H H 57 8.428 8.428 8.659 -0.231 25675 1737 1 4 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.423 -0.130 25675 1738 1 4 . 1 1 58 58 PRO C C 58 177.241 177.241 177.041 0.200 25675 1739 1 4 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.662 -0.070 25675 1740 1 4 . 1 1 58 58 PRO CB C 58 32.288 32.288 32.099 0.189 25675 1741 1 4 . 1 1 59 59 VAL N N 59 117.104 117.104 113.654 3.450 25675 1742 1 4 . 1 1 59 59 VAL HA H 59 3.909 3.909 3.981 -0.072 25675 1743 1 4 . 1 1 59 59 VAL C C 59 177.077 177.077 177.372 -0.295 25675 1744 1 4 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.496 0.226 25675 1745 1 4 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.369 0.592 25675 1746 1 4 . 1 1 59 59 VAL H H 59 7.965 7.965 7.709 0.256 25675 1747 1 4 . 1 1 60 60 SER N N 60 113.119 113.119 113.805 -0.686 25675 1748 1 4 . 1 1 60 60 SER HA H 60 4.427 4.427 4.379 0.048 25675 1749 1 4 . 1 1 60 60 SER C C 60 175.252 175.252 174.425 0.827 25675 1750 1 4 . 1 1 60 60 SER CA C 60 58.314 58.314 59.356 -1.042 25675 1751 1 4 . 1 1 60 60 SER CB C 60 65.134 65.134 63.480 1.654 25675 1752 1 4 . 1 1 60 60 SER H H 60 7.691 7.691 7.830 -0.139 25675 1753 1 4 . 1 1 61 61 GLN N N 61 115.138 115.138 116.489 -1.351 25675 1754 1 4 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.981 -0.121 25675 1755 1 4 . 1 1 61 61 GLN C C 61 174.882 174.882 175.486 -0.604 25675 1756 1 4 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.129 0.207 25675 1757 1 4 . 1 1 61 61 GLN CB C 61 26.000 26.000 25.920 0.080 25675 1758 1 4 . 1 1 61 61 GLN H H 61 8.309 8.309 7.866 0.443 25675 1759 1 4 . 1 1 62 62 CYS N N 62 116.568 116.568 117.751 -1.183 25675 1760 1 4 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.406 0.126 25675 1761 1 4 . 1 1 62 62 CYS C C 62 174.242 174.242 174.323 -0.081 25675 1762 1 4 . 1 1 62 62 CYS CA C 62 58.084 58.084 59.554 -1.470 25675 1763 1 4 . 1 1 62 62 CYS CB C 62 29.256 29.256 28.900 0.356 25675 1764 1 4 . 1 1 62 62 CYS H H 62 7.664 7.664 7.741 -0.077 25675 1765 1 4 . 1 1 63 63 MET N N 63 122.627 122.627 120.027 2.600 25675 1766 1 4 . 1 1 63 63 MET HA H 63 4.095 4.095 4.866 -0.771 25675 1767 1 4 . 1 1 63 63 MET C C 63 176.437 176.437 174.321 2.116 25675 1768 1 4 . 1 1 63 63 MET CA C 63 54.992 54.992 54.841 0.151 25675 1769 1 4 . 1 1 63 63 MET CB C 63 32.828 32.828 32.053 0.775 25675 1770 1 4 . 1 1 63 63 MET H H 63 8.733 8.733 8.410 0.323 25675 1771 1 4 . 1 1 64 64 ARG N N 64 124.300 124.300 119.329 4.971 25675 1772 1 4 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.677 -0.210 25675 1773 1 4 . 1 1 64 64 ARG C C 64 174.618 174.618 175.425 -0.807 25675 1774 1 4 . 1 1 64 64 ARG CA C 64 53.788 53.788 55.705 -1.917 25675 1775 1 4 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.462 2.073 25675 1776 1 4 . 1 1 64 64 ARG H H 64 8.995 8.995 7.886 1.109 25675 1777 1 4 . 1 1 65 65 GLY N N 65 122.716 122.716 106.148 16.568 25675 1778 1 4 . 1 1 65 65 GLY C C 65 174.589 174.589 173.668 0.921 25675 1779 1 4 . 1 1 65 65 GLY H H 65 8.474 8.474 8.166 0.308 25675 1780 1 4 . 1 1 66 66 VAL N N 66 124.050 124.050 120.493 3.557 25675 1781 1 4 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.663 0.532 25675 1782 1 4 . 1 1 66 66 VAL C C 66 176.220 176.220 175.938 0.282 25675 1783 1 4 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.647 -1.170 25675 1784 1 4 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.826 0.851 25675 1785 1 4 . 1 1 66 66 VAL H H 66 8.313 8.313 7.603 0.710 25675 1786 1 4 . 1 1 67 67 ARG N N 67 131.490 131.490 128.687 2.803 25675 1787 1 4 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.528 -0.480 25675 1788 1 4 . 1 1 67 67 ARG C C 67 173.497 173.497 174.597 -1.100 25675 1789 1 4 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.260 3.116 25675 1790 1 4 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.861 -0.929 25675 1791 1 4 . 1 1 67 67 ARG H H 67 9.314 9.314 7.976 1.338 25675 1792 1 4 . 1 1 68 68 LEU N N 68 130.230 130.230 126.811 3.419 25675 1793 1 4 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.598 0.606 25675 1794 1 4 . 1 1 68 68 LEU C C 68 175.950 175.950 174.985 0.965 25675 1795 1 4 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.027 -0.213 25675 1796 1 4 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.763 0.330 25675 1797 1 4 . 1 1 68 68 LEU H H 68 8.299 8.299 8.554 -0.255 25675 1798 1 4 . 1 1 69 69 VAL N N 69 127.090 127.090 126.386 0.704 25675 1799 1 4 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.364 -0.037 25675 1800 1 4 . 1 1 69 69 VAL C C 69 176.155 176.155 175.063 1.092 25675 1801 1 4 . 1 1 69 69 VAL CA C 69 61.354 61.354 62.072 -0.718 25675 1802 1 4 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.681 0.424 25675 1803 1 4 . 1 1 69 69 VAL H H 69 9.044 9.044 8.298 0.746 25675 1804 1 4 . 1 1 70 70 GLU N N 70 128.672 128.672 125.570 3.102 25675 1805 1 4 . 1 1 70 70 GLU HA H 70 3.916 3.916 4.002 -0.086 25675 1806 1 4 . 1 1 70 70 GLU C C 70 175.891 175.891 176.513 -0.622 25675 1807 1 4 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.181 -0.351 25675 1808 1 4 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.584 -0.394 25675 1809 1 4 . 1 1 70 70 GLU H H 70 9.646 9.646 9.202 0.444 25675 1810 1 4 . 1 1 71 71 GLY N N 71 117.967 117.967 102.130 15.837 25675 1811 1 4 . 1 1 71 71 GLY C C 71 173.327 173.327 174.292 -0.965 25675 1812 1 4 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.320 0.728 25675 1813 1 4 . 1 1 71 71 GLY H H 71 8.417 8.417 8.246 0.171 25675 1814 1 4 . 1 1 72 72 ILE N N 72 123.402 123.402 123.903 -0.501 25675 1815 1 4 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.361 -0.124 25675 1816 1 4 . 1 1 72 72 ILE C C 72 174.882 174.882 176.112 -1.230 25675 1817 1 4 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.847 -0.419 25675 1818 1 4 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.939 0.912 25675 1819 1 4 . 1 1 72 72 ILE H H 72 8.124 8.124 7.737 0.387 25675 1820 1 4 . 1 1 73 73 LEU N N 73 129.380 129.380 129.849 -0.469 25675 1821 1 4 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.878 0.321 25675 1822 1 4 . 1 1 73 73 LEU C C 73 175.932 175.932 176.825 -0.893 25675 1823 1 4 . 1 1 73 73 LEU CA C 73 54.245 54.245 54.052 0.193 25675 1824 1 4 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.388 1.494 25675 1825 1 4 . 1 1 73 73 LEU H H 73 9.353 9.353 8.472 0.881 25675 1826 1 4 . 1 1 74 74 HIS N N 74 120.040 120.040 125.214 -5.174 25675 1827 1 4 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.803 -0.192 25675 1828 1 4 . 1 1 74 74 HIS C C 74 172.371 172.371 173.575 -1.204 25675 1829 1 4 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.470 -0.645 25675 1830 1 4 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.815 -1.964 25675 1831 1 4 . 1 1 74 74 HIS H H 74 8.541 8.541 9.050 -0.509 25675 1832 1 4 . 1 1 75 75 ALA N N 75 125.980 125.980 128.258 -2.278 25675 1833 1 4 . 1 1 75 75 ALA HA H 75 1.749 1.749 4.023 -2.274 25675 1834 1 4 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.286 1.651 25675 1835 1 4 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.909 -1.961 25675 1836 1 4 . 1 1 75 75 ALA H H 75 8.413 8.413 7.929 0.484 25675 1837 1 4 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.252 0.030 25675 1838 1 4 . 1 1 76 76 PRO C C 76 176.185 176.185 175.952 0.233 25675 1839 1 4 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.936 0.345 25675 1840 1 4 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.370 -0.098 25675 1841 1 4 . 1 1 77 77 ASP N N 77 122.297 122.297 116.782 5.515 25675 1842 1 4 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.425 -0.335 25675 1843 1 4 . 1 1 77 77 ASP C C 77 176.977 176.977 176.689 0.288 25675 1844 1 4 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.561 1.943 25675 1845 1 4 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.410 -0.500 25675 1846 1 4 . 1 1 77 77 ASP H H 77 8.454 8.454 8.288 0.166 25675 1847 1 4 . 1 1 78 78 ALA N N 78 118.586 118.586 120.929 -2.343 25675 1848 1 4 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.366 -0.117 25675 1849 1 4 . 1 1 78 78 ALA C C 78 177.458 177.458 177.739 -0.281 25675 1850 1 4 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.227 0.497 25675 1851 1 4 . 1 1 78 78 ALA CB C 78 18.746 18.746 19.931 -1.185 25675 1852 1 4 . 1 1 78 78 ALA H H 78 8.032 8.032 7.609 0.423 25675 1853 1 4 . 1 1 79 79 GLY N N 79 107.830 107.830 105.656 2.174 25675 1854 1 4 . 1 1 79 79 GLY C C 79 172.928 172.928 173.382 -0.454 25675 1855 1 4 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.239 -0.898 25675 1856 1 4 . 1 1 79 79 GLY H H 79 7.902 7.902 7.285 0.617 25675 1857 1 4 . 1 1 80 80 TRP N N 80 119.474 119.474 122.446 -2.972 25675 1858 1 4 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.694 -0.159 25675 1859 1 4 . 1 1 80 80 TRP C C 80 180.190 180.190 177.115 3.075 25675 1860 1 4 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.010 0.660 25675 1861 1 4 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.366 0.720 25675 1862 1 4 . 1 1 80 80 TRP H H 80 8.389 8.389 8.382 0.007 25675 1863 1 4 . 1 1 81 81 GLY N N 81 103.130 103.130 105.072 -1.942 25675 1864 1 4 . 1 1 81 81 GLY C C 81 174.110 174.110 172.460 1.650 25675 1865 1 4 . 1 1 81 81 GLY CA C 81 45.879 45.879 45.168 0.711 25675 1866 1 4 . 1 1 81 81 GLY H H 81 8.519 8.519 8.645 -0.126 25675 1867 1 4 . 1 1 82 82 ASN N N 82 120.652 120.652 117.395 3.257 25675 1868 1 4 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.214 -0.138 25675 1869 1 4 . 1 1 82 82 ASN C C 82 175.211 175.211 175.405 -0.194 25675 1870 1 4 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.069 -0.084 25675 1871 1 4 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.450 0.207 25675 1872 1 4 . 1 1 82 82 ASN H H 82 8.800 8.800 8.440 0.360 25675 1873 1 4 . 1 1 83 83 LEU N N 83 118.129 118.129 117.815 0.314 25675 1874 1 4 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.820 -0.691 25675 1875 1 4 . 1 1 83 83 LEU C C 83 174.442 174.442 175.052 -0.610 25675 1876 1 4 . 1 1 83 83 LEU CA C 83 54.799 54.799 54.463 0.336 25675 1877 1 4 . 1 1 83 83 LEU CB C 83 41.857 41.857 43.733 -1.876 25675 1878 1 4 . 1 1 83 83 LEU H H 83 6.883 6.883 7.537 -0.654 25675 1879 1 4 . 1 1 84 84 VAL N N 84 118.316 118.316 116.840 1.476 25675 1880 1 4 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.319 -0.264 25675 1881 1 4 . 1 1 84 84 VAL C C 84 174.630 174.630 174.861 -0.231 25675 1882 1 4 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.449 0.994 25675 1883 1 4 . 1 1 84 84 VAL CB C 84 31.958 31.958 33.007 -1.049 25675 1884 1 4 . 1 1 84 84 VAL H H 84 7.835 7.835 7.736 0.099 25675 1885 1 4 . 1 1 85 85 TYR N N 85 128.110 128.110 125.337 2.773 25675 1886 1 4 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.364 -0.667 25675 1887 1 4 . 1 1 85 85 TYR C C 85 174.313 174.313 173.823 0.490 25675 1888 1 4 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.883 3.238 25675 1889 1 4 . 1 1 85 85 TYR CB C 85 40.540 40.540 41.068 -0.528 25675 1890 1 4 . 1 1 85 85 TYR H H 85 8.886 8.886 8.965 -0.079 25675 1891 1 4 . 1 1 86 86 VAL N N 86 122.593 122.593 122.653 -0.060 25675 1892 1 4 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.961 0.794 25675 1893 1 4 . 1 1 86 86 VAL C C 86 176.531 176.531 176.057 0.474 25675 1894 1 4 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.632 -0.633 25675 1895 1 4 . 1 1 86 86 VAL CB C 86 33.419 33.419 32.849 0.570 25675 1896 1 4 . 1 1 86 86 VAL H H 86 9.473 9.473 7.767 1.706 25675 1897 1 4 . 1 1 87 87 VAL N N 87 124.298 124.298 127.205 -2.907 25675 1898 1 4 . 1 1 87 87 VAL HA H 87 3.787 3.787 3.909 -0.122 25675 1899 1 4 . 1 1 87 87 VAL C C 87 174.735 174.735 175.138 -0.403 25675 1900 1 4 . 1 1 87 87 VAL CA C 87 63.726 63.726 63.009 0.717 25675 1901 1 4 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.138 0.585 25675 1902 1 4 . 1 1 87 87 VAL H H 87 7.864 7.864 8.276 -0.412 25675 1903 1 4 . 1 1 88 88 ASN N N 88 123.146 123.146 124.350 -1.204 25675 1904 1 4 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.788 -0.014 25675 1905 1 4 . 1 1 88 88 ASN C C 88 172.900 172.900 173.530 -0.630 25675 1906 1 4 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.618 -1.286 25675 1907 1 4 . 1 1 88 88 ASN CB C 88 40.773 40.773 40.667 0.106 25675 1908 1 4 . 1 1 88 88 ASN H H 88 7.786 7.786 8.007 -0.221 25675 1909 1 5 . 1 1 3 3 GLY C C 3 173.761 173.761 174.781 -1.020 25675 1910 1 5 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.990 0.140 25675 1911 1 5 . 1 1 4 4 SER N N 4 115.011 115.011 116.827 -1.816 25675 1912 1 5 . 1 1 4 4 SER HA H 4 4.304 4.304 4.124 0.180 25675 1913 1 5 . 1 1 4 4 SER C C 4 174.600 174.600 175.460 -0.860 25675 1914 1 5 . 1 1 4 4 SER CA C 4 57.900 57.900 59.857 -1.957 25675 1915 1 5 . 1 1 4 4 SER CB C 4 63.800 63.800 63.271 0.529 25675 1916 1 5 . 1 1 4 4 SER H H 4 8.185 8.185 8.350 -0.165 25675 1917 1 5 . 1 1 5 5 HIS N N 5 120.326 120.326 118.708 1.618 25675 1918 1 5 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.673 -0.071 25675 1919 1 5 . 1 1 5 5 HIS C C 5 174.200 174.200 175.670 -1.470 25675 1920 1 5 . 1 1 5 5 HIS CA C 5 55.268 55.268 57.110 -1.842 25675 1921 1 5 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.034 -1.034 25675 1922 1 5 . 1 1 5 5 HIS H H 5 8.641 8.641 8.405 0.236 25675 1923 1 5 . 1 1 6 6 HIS N N 6 119.478 119.478 113.719 5.759 25675 1924 1 5 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.820 -0.193 25675 1925 1 5 . 1 1 6 6 HIS C C 6 174.100 174.100 174.285 -0.185 25675 1926 1 5 . 1 1 6 6 HIS CA C 6 55.268 55.268 54.835 0.433 25675 1927 1 5 . 1 1 6 6 HIS CB C 6 29.300 29.300 31.291 -1.991 25675 1928 1 5 . 1 1 6 6 HIS H H 6 8.555 8.555 7.812 0.743 25675 1929 1 5 . 1 1 7 7 HIS N N 7 120.507 120.507 117.343 3.164 25675 1930 1 5 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.526 0.055 25675 1931 1 5 . 1 1 7 7 HIS C C 7 174.100 174.100 174.513 -0.413 25675 1932 1 5 . 1 1 7 7 HIS CA C 7 55.268 55.268 56.450 -1.182 25675 1933 1 5 . 1 1 7 7 HIS CB C 7 29.300 29.300 30.173 -0.873 25675 1934 1 5 . 1 1 7 7 HIS H H 7 8.777 8.777 8.634 0.143 25675 1935 1 5 . 1 1 8 8 HIS N N 8 120.616 120.616 123.581 -2.965 25675 1936 1 5 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.779 -0.179 25675 1937 1 5 . 1 1 8 8 HIS C C 8 174.200 174.200 173.801 0.399 25675 1938 1 5 . 1 1 8 8 HIS CA C 8 55.268 55.268 55.993 -0.725 25675 1939 1 5 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.223 -0.923 25675 1940 1 5 . 1 1 8 8 HIS H H 8 8.777 8.777 8.776 0.001 25675 1941 1 5 . 1 1 9 9 HIS N N 9 121.131 121.131 121.331 -0.200 25675 1942 1 5 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.506 0.074 25675 1943 1 5 . 1 1 9 9 HIS C C 9 173.990 173.990 173.414 0.576 25675 1944 1 5 . 1 1 9 9 HIS CA C 9 55.000 55.000 55.111 -0.111 25675 1945 1 5 . 1 1 9 9 HIS CB C 9 29.400 29.400 30.538 -1.138 25675 1946 1 5 . 1 1 9 9 HIS H H 9 8.785 8.785 8.290 0.495 25675 1947 1 5 . 1 1 10 10 HIS N N 10 121.437 121.437 118.433 3.004 25675 1948 1 5 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.506 0.088 25675 1949 1 5 . 1 1 10 10 HIS C C 10 174.577 174.577 175.105 -0.528 25675 1950 1 5 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.204 0.064 25675 1951 1 5 . 1 1 10 10 HIS CB C 10 28.900 28.900 31.755 -2.855 25675 1952 1 5 . 1 1 10 10 HIS H H 10 8.769 8.769 8.252 0.517 25675 1953 1 5 . 1 1 11 11 GLY N N 11 111.579 111.579 108.909 2.670 25675 1954 1 5 . 1 1 11 11 GLY C C 11 174.184 174.184 173.529 0.655 25675 1955 1 5 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.975 0.365 25675 1956 1 5 . 1 1 11 11 GLY H H 11 8.559 8.559 8.625 -0.066 25675 1957 1 5 . 1 1 12 12 SER N N 12 115.987 115.987 115.033 0.954 25675 1958 1 5 . 1 1 12 12 SER HA H 12 4.407 4.407 4.793 -0.386 25675 1959 1 5 . 1 1 12 12 SER C C 12 174.817 174.817 173.315 1.502 25675 1960 1 5 . 1 1 12 12 SER CA C 12 58.529 58.529 57.831 0.698 25675 1961 1 5 . 1 1 12 12 SER CB C 12 63.780 63.780 65.235 -1.455 25675 1962 1 5 . 1 1 12 12 SER H H 12 8.353 8.353 7.914 0.439 25675 1963 1 5 . 1 1 13 13 MET N N 13 121.805 121.805 121.919 -0.114 25675 1964 1 5 . 1 1 13 13 MET HA H 13 4.521 4.521 4.735 -0.214 25675 1965 1 5 . 1 1 13 13 MET C C 13 176.003 176.003 175.309 0.694 25675 1966 1 5 . 1 1 13 13 MET CA C 13 55.503 55.503 54.513 0.990 25675 1967 1 5 . 1 1 13 13 MET CB C 13 32.843 32.843 33.765 -0.922 25675 1968 1 5 . 1 1 13 13 MET H H 13 8.432 8.432 8.379 0.053 25675 1969 1 5 . 1 1 14 14 SER N N 14 116.515 116.515 121.297 -4.782 25675 1970 1 5 . 1 1 14 14 SER HA H 14 4.265 4.265 4.443 -0.178 25675 1971 1 5 . 1 1 14 14 SER C C 14 174.055 174.055 174.015 0.040 25675 1972 1 5 . 1 1 14 14 SER H H 14 8.205 8.205 8.643 -0.438 25675 1973 1 5 . 1 1 15 15 GLU N N 15 122.455 122.455 124.029 -1.574 25675 1974 1 5 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.686 -0.451 25675 1975 1 5 . 1 1 15 15 GLU C C 15 174.900 174.900 175.207 -0.307 25675 1976 1 5 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.641 -0.013 25675 1977 1 5 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.725 -1.500 25675 1978 1 5 . 1 1 15 15 GLU H H 15 8.292 8.292 8.749 -0.457 25675 1979 1 5 . 1 1 16 16 TYR N N 16 118.896 118.896 115.095 3.801 25675 1980 1 5 . 1 1 16 16 TYR HA H 16 5.061 5.061 5.054 0.006 25675 1981 1 5 . 1 1 16 16 TYR C C 16 174.935 174.935 174.409 0.526 25675 1982 1 5 . 1 1 16 16 TYR CA C 16 56.712 56.712 56.003 0.709 25675 1983 1 5 . 1 1 16 16 TYR CB C 16 41.507 41.507 41.424 0.083 25675 1984 1 5 . 1 1 16 16 TYR H H 16 7.955 7.955 7.961 -0.006 25675 1985 1 5 . 1 1 17 17 ILE N N 17 115.711 115.711 122.179 -6.468 25675 1986 1 5 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.337 0.212 25675 1987 1 5 . 1 1 17 17 ILE C C 17 174.747 174.747 173.951 0.796 25675 1988 1 5 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.790 -0.348 25675 1989 1 5 . 1 1 17 17 ILE CB C 17 40.859 40.859 39.705 1.154 25675 1990 1 5 . 1 1 17 17 ILE H H 17 8.890 8.890 7.989 0.901 25675 1991 1 5 . 1 1 18 18 ARG N N 18 123.175 123.175 129.283 -6.108 25675 1992 1 5 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.544 -0.664 25675 1993 1 5 . 1 1 18 18 ARG C C 18 174.988 174.988 175.263 -0.275 25675 1994 1 5 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.651 1.193 25675 1995 1 5 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.353 0.377 25675 1996 1 5 . 1 1 18 18 ARG H H 18 8.636 8.636 8.338 0.298 25675 1997 1 5 . 1 1 19 19 VAL N N 19 122.554 122.554 119.300 3.254 25675 1998 1 5 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.671 -0.207 25675 1999 1 5 . 1 1 19 19 VAL C C 19 173.984 173.984 174.471 -0.487 25675 2000 1 5 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.490 0.404 25675 2001 1 5 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.981 -0.272 25675 2002 1 5 . 1 1 19 19 VAL H H 19 8.916 8.916 8.196 0.720 25675 2003 1 5 . 1 1 20 20 THR N N 20 118.638 118.638 114.495 4.143 25675 2004 1 5 . 1 1 20 20 THR HA H 20 5.081 5.081 4.886 0.195 25675 2005 1 5 . 1 1 20 20 THR C C 20 172.312 172.312 174.177 -1.865 25675 2006 1 5 . 1 1 20 20 THR CA C 20 57.731 57.731 59.334 -1.603 25675 2007 1 5 . 1 1 20 20 THR CB C 20 71.835 71.835 71.365 0.470 25675 2008 1 5 . 1 1 20 20 THR H H 20 8.794 8.794 8.275 0.519 25675 2009 1 5 . 1 1 21 21 GLU N N 21 124.307 124.307 124.228 0.079 25675 2010 1 5 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.436 0.738 25675 2011 1 5 . 1 1 21 21 GLU C C 21 175.258 175.258 176.343 -1.085 25675 2012 1 5 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.000 -2.100 25675 2013 1 5 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.172 -1.220 25675 2014 1 5 . 1 1 21 21 GLU H H 21 8.792 8.792 8.989 -0.197 25675 2015 1 5 . 1 1 22 22 ASP N N 22 117.282 117.282 115.908 1.374 25675 2016 1 5 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.664 -0.060 25675 2017 1 5 . 1 1 22 22 ASP C C 22 175.387 175.387 176.247 -0.860 25675 2018 1 5 . 1 1 22 22 ASP CA C 22 53.465 53.465 52.287 1.178 25675 2019 1 5 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.398 -0.523 25675 2020 1 5 . 1 1 22 22 ASP H H 22 7.932 7.932 7.466 0.466 25675 2021 1 5 . 1 1 23 23 GLU N N 23 123.785 123.785 118.982 4.803 25675 2022 1 5 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.081 -0.143 25675 2023 1 5 . 1 1 23 23 GLU C C 23 176.062 176.062 177.013 -0.951 25675 2024 1 5 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.736 0.706 25675 2025 1 5 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.833 -0.397 25675 2026 1 5 . 1 1 23 23 GLU H H 23 9.232 9.232 8.605 0.627 25675 2027 1 5 . 1 1 24 24 ASN N N 24 115.807 115.807 117.577 -1.770 25675 2028 1 5 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.576 0.112 25675 2029 1 5 . 1 1 24 24 ASN C C 24 174.636 174.636 175.430 -0.794 25675 2030 1 5 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.567 -0.669 25675 2031 1 5 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.599 0.304 25675 2032 1 5 . 1 1 24 24 ASN H H 24 8.694 8.694 8.122 0.572 25675 2033 1 5 . 1 1 25 25 ASP N N 25 119.629 119.629 120.370 -0.741 25675 2034 1 5 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.724 0.231 25675 2035 1 5 . 1 1 25 25 ASP C C 25 175.269 175.269 175.819 -0.550 25675 2036 1 5 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.358 -1.167 25675 2037 1 5 . 1 1 25 25 ASP CB C 25 40.792 40.792 41.796 -1.004 25675 2038 1 5 . 1 1 25 25 ASP H H 25 7.987 7.987 8.001 -0.014 25675 2039 1 5 . 1 1 26 26 GLU N N 26 123.692 123.692 125.096 -1.404 25675 2040 1 5 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.362 0.160 25675 2041 1 5 . 1 1 26 26 GLU CA C 26 54.120 54.120 55.435 -1.315 25675 2042 1 5 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.647 -0.748 25675 2043 1 5 . 1 1 26 26 GLU H H 26 8.718 8.718 8.628 0.090 25675 2044 1 5 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.492 0.237 25675 2045 1 5 . 1 1 27 27 PRO C C 27 176.126 176.126 176.015 0.111 25675 2046 1 5 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.956 -0.605 25675 2047 1 5 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.943 1.576 25675 2048 1 5 . 1 1 28 28 ILE N N 28 118.646 118.646 124.561 -5.915 25675 2049 1 5 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.303 0.171 25675 2050 1 5 . 1 1 28 28 ILE C C 28 175.181 175.181 174.075 1.106 25675 2051 1 5 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.898 -0.449 25675 2052 1 5 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.372 0.254 25675 2053 1 5 . 1 1 28 28 ILE H H 28 9.244 9.244 7.929 1.315 25675 2054 1 5 . 1 1 29 29 GLU N N 29 120.763 120.763 126.968 -6.205 25675 2055 1 5 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.203 -0.298 25675 2056 1 5 . 1 1 29 29 GLU C C 29 175.739 175.739 175.458 0.281 25675 2057 1 5 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.519 0.769 25675 2058 1 5 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.624 -1.584 25675 2059 1 5 . 1 1 29 29 GLU H H 29 8.220 8.220 8.399 -0.179 25675 2060 1 5 . 1 1 30 30 ILE N N 30 124.950 124.950 118.663 6.287 25675 2061 1 5 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.747 -0.001 25675 2062 1 5 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.460 -1.746 25675 2063 1 5 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.540 -0.687 25675 2064 1 5 . 1 1 30 30 ILE H H 30 9.307 9.307 8.410 0.897 25675 2065 1 5 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.606 -0.223 25675 2066 1 5 . 1 1 31 31 PRO C C 31 175.768 175.768 176.329 -0.561 25675 2067 1 5 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.839 -0.057 25675 2068 1 5 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.014 0.353 25675 2069 1 5 . 1 1 32 32 SER N N 32 114.522 114.522 117.117 -2.595 25675 2070 1 5 . 1 1 32 32 SER HA H 32 4.567 4.567 4.758 -0.191 25675 2071 1 5 . 1 1 32 32 SER C C 32 175.170 175.170 173.869 1.301 25675 2072 1 5 . 1 1 32 32 SER CA C 32 56.211 56.211 56.497 -0.286 25675 2073 1 5 . 1 1 32 32 SER CB C 32 65.701 65.701 65.951 -0.250 25675 2074 1 5 . 1 1 32 32 SER H H 32 7.835 7.835 8.199 -0.364 25675 2075 1 5 . 1 1 33 33 GLU N N 33 118.001 118.001 119.719 -1.718 25675 2076 1 5 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.389 -0.096 25675 2077 1 5 . 1 1 33 33 GLU C C 33 178.843 178.843 176.507 2.336 25675 2078 1 5 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.083 -0.490 25675 2079 1 5 . 1 1 33 33 GLU H H 33 9.229 9.229 8.502 0.727 25675 2080 1 5 . 1 1 34 34 ASP N N 34 122.097 122.097 119.245 2.852 25675 2081 1 5 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.477 -0.205 25675 2082 1 5 . 1 1 34 34 ASP C C 34 175.680 175.680 177.542 -1.862 25675 2083 1 5 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.386 0.576 25675 2084 1 5 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.958 -0.872 25675 2085 1 5 . 1 1 34 34 ASP H H 34 9.067 9.067 8.749 0.318 25675 2086 1 5 . 1 1 35 35 ASP N N 35 115.678 115.678 118.670 -2.992 25675 2087 1 5 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.567 -0.072 25675 2088 1 5 . 1 1 35 35 ASP C C 35 177.470 177.470 177.085 0.385 25675 2089 1 5 . 1 1 35 35 ASP CA C 35 52.916 52.916 54.679 -1.763 25675 2090 1 5 . 1 1 35 35 ASP CB C 35 39.813 39.813 41.455 -1.642 25675 2091 1 5 . 1 1 35 35 ASP H H 35 7.701 7.701 8.344 -0.643 25675 2092 1 5 . 1 1 36 36 GLY N N 36 107.781 107.781 105.684 2.097 25675 2093 1 5 . 1 1 36 36 GLY C C 36 175.387 175.387 173.990 1.397 25675 2094 1 5 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.215 0.311 25675 2095 1 5 . 1 1 36 36 GLY H H 36 8.211 8.211 7.641 0.570 25675 2096 1 5 . 1 1 37 37 THR N N 37 113.224 113.224 112.983 0.241 25675 2097 1 5 . 1 1 37 37 THR HA H 37 4.787 4.787 4.972 -0.185 25675 2098 1 5 . 1 1 37 37 THR C C 37 175.874 175.874 173.352 2.522 25675 2099 1 5 . 1 1 37 37 THR CA C 37 61.569 61.569 60.911 0.658 25675 2100 1 5 . 1 1 37 37 THR CB C 37 71.292 71.292 71.358 -0.066 25675 2101 1 5 . 1 1 37 37 THR H H 37 7.890 7.890 7.627 0.263 25675 2102 1 5 . 1 1 38 38 VAL N N 38 117.698 117.698 119.753 -2.055 25675 2103 1 5 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.400 -0.053 25675 2104 1 5 . 1 1 38 38 VAL C C 38 175.187 175.187 174.267 0.920 25675 2105 1 5 . 1 1 38 38 VAL CA C 38 61.037 61.037 60.962 0.075 25675 2106 1 5 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.652 -0.178 25675 2107 1 5 . 1 1 38 38 VAL H H 38 8.382 8.382 8.458 -0.076 25675 2108 1 5 . 1 1 39 39 LEU N N 39 126.182 126.182 126.710 -0.528 25675 2109 1 5 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.317 0.182 25675 2110 1 5 . 1 1 39 39 LEU C C 39 178.655 178.655 177.970 0.685 25675 2111 1 5 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.376 -0.382 25675 2112 1 5 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.510 -1.850 25675 2113 1 5 . 1 1 39 39 LEU H H 39 8.516 8.516 8.604 -0.088 25675 2114 1 5 . 1 1 40 40 LEU N N 40 125.652 125.652 125.510 0.142 25675 2115 1 5 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.082 -0.109 25675 2116 1 5 . 1 1 40 40 LEU C C 40 178.620 178.620 179.077 -0.457 25675 2117 1 5 . 1 1 40 40 LEU CA C 40 58.256 58.256 58.130 0.126 25675 2118 1 5 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.717 -0.719 25675 2119 1 5 . 1 1 40 40 LEU H H 40 8.666 8.666 8.760 -0.094 25675 2120 1 5 . 1 1 41 41 SER N N 41 112.797 112.797 112.945 -0.148 25675 2121 1 5 . 1 1 41 41 SER HA H 41 4.359 4.359 4.195 0.164 25675 2122 1 5 . 1 1 41 41 SER C C 41 176.760 176.760 176.529 0.231 25675 2123 1 5 . 1 1 41 41 SER CA C 41 60.390 60.390 61.288 -0.899 25675 2124 1 5 . 1 1 41 41 SER CB C 41 62.032 62.032 62.870 -0.838 25675 2125 1 5 . 1 1 41 41 SER H H 41 8.758 8.758 8.386 0.372 25675 2126 1 5 . 1 1 42 42 THR N N 42 121.066 121.066 118.146 2.920 25675 2127 1 5 . 1 1 42 42 THR HA H 42 3.993 3.993 4.040 -0.047 25675 2128 1 5 . 1 1 42 42 THR C C 42 176.226 176.226 175.689 0.537 25675 2129 1 5 . 1 1 42 42 THR CA C 42 65.206 65.206 65.351 -0.145 25675 2130 1 5 . 1 1 42 42 THR CB C 42 67.912 67.912 68.795 -0.883 25675 2131 1 5 . 1 1 42 42 THR H H 42 7.461 7.461 7.463 -0.002 25675 2132 1 5 . 1 1 43 43 VAL N N 43 120.996 120.996 121.350 -0.354 25675 2133 1 5 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.726 -0.132 25675 2134 1 5 . 1 1 43 43 VAL C C 43 178.796 178.796 177.376 1.420 25675 2135 1 5 . 1 1 43 43 VAL CA C 43 66.808 66.808 65.901 0.907 25675 2136 1 5 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.405 0.435 25675 2137 1 5 . 1 1 43 43 VAL H H 43 7.288 7.288 7.368 -0.080 25675 2138 1 5 . 1 1 44 44 THR N N 44 113.305 113.305 110.618 2.687 25675 2139 1 5 . 1 1 44 44 THR HA H 44 4.202 4.202 4.313 -0.111 25675 2140 1 5 . 1 1 44 44 THR C C 44 176.337 176.337 175.594 0.743 25675 2141 1 5 . 1 1 44 44 THR CA C 44 64.358 64.358 64.573 -0.215 25675 2142 1 5 . 1 1 44 44 THR CB C 44 68.969 68.969 68.610 0.359 25675 2143 1 5 . 1 1 44 44 THR H H 44 9.189 9.189 7.686 1.503 25675 2144 1 5 . 1 1 45 45 ALA N N 45 121.618 121.618 125.181 -3.563 25675 2145 1 5 . 1 1 45 45 ALA HA H 45 4.049 4.049 3.993 0.056 25675 2146 1 5 . 1 1 45 45 ALA C C 45 178.685 178.685 178.980 -0.295 25675 2147 1 5 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.639 -0.013 25675 2148 1 5 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.576 -0.299 25675 2149 1 5 . 1 1 45 45 ALA H H 45 7.274 7.274 7.703 -0.429 25675 2150 1 5 . 1 1 46 46 GLN N N 46 112.595 112.595 114.722 -2.127 25675 2151 1 5 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.299 -0.169 25675 2152 1 5 . 1 1 46 46 GLN C C 46 174.823 174.823 175.425 -0.602 25675 2153 1 5 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.697 -0.446 25675 2154 1 5 . 1 1 46 46 GLN CB C 46 29.920 29.920 29.859 0.061 25675 2155 1 5 . 1 1 46 46 GLN H H 46 6.860 6.860 7.875 -1.015 25675 2156 1 5 . 1 1 47 47 PHE N N 47 118.197 118.197 119.228 -1.031 25675 2157 1 5 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.095 -0.130 25675 2158 1 5 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.866 0.875 25675 2159 1 5 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.090 0.524 25675 2160 1 5 . 1 1 47 47 PHE H H 47 8.344 8.344 7.644 0.700 25675 2161 1 5 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.495 -0.055 25675 2162 1 5 . 1 1 48 48 PRO C C 48 178.626 178.626 177.999 0.627 25675 2163 1 5 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.722 0.618 25675 2164 1 5 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.930 -0.484 25675 2165 1 5 . 1 1 49 49 GLY N N 49 111.697 111.697 111.365 0.332 25675 2166 1 5 . 1 1 49 49 GLY C C 49 174.307 174.307 174.109 0.198 25675 2167 1 5 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.955 -0.194 25675 2168 1 5 . 1 1 49 49 GLY H H 49 8.849 8.849 8.827 0.022 25675 2169 1 5 . 1 1 50 50 ALA N N 50 122.602 122.602 121.734 0.868 25675 2170 1 5 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.570 -0.742 25675 2171 1 5 . 1 1 50 50 ALA C C 50 177.534 177.534 176.288 1.246 25675 2172 1 5 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.019 1.387 25675 2173 1 5 . 1 1 50 50 ALA CB C 50 20.390 20.390 19.073 1.317 25675 2174 1 5 . 1 1 50 50 ALA H H 50 8.032 8.032 7.563 0.469 25675 2175 1 5 . 1 1 51 51 CYS N N 51 114.410 114.410 123.565 -9.155 25675 2176 1 5 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.588 -0.043 25675 2177 1 5 . 1 1 51 51 CYS C C 51 174.248 174.248 174.901 -0.653 25675 2178 1 5 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.844 -2.438 25675 2179 1 5 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.985 -0.172 25675 2180 1 5 . 1 1 51 51 CYS H H 51 9.094 9.094 8.370 0.724 25675 2181 1 5 . 1 1 52 52 GLY N N 52 106.620 106.620 107.832 -1.212 25675 2182 1 5 . 1 1 52 52 GLY C C 52 170.769 170.769 172.123 -1.354 25675 2183 1 5 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.571 0.390 25675 2184 1 5 . 1 1 52 52 GLY H H 52 7.467 7.467 8.242 -0.775 25675 2185 1 5 . 1 1 53 53 LEU N N 53 117.961 117.961 122.632 -4.671 25675 2186 1 5 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.248 0.096 25675 2187 1 5 . 1 1 53 53 LEU C C 53 175.563 175.563 176.214 -0.651 25675 2188 1 5 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.539 1.113 25675 2189 1 5 . 1 1 53 53 LEU CB C 53 48.585 48.585 44.021 4.564 25675 2190 1 5 . 1 1 53 53 LEU H H 53 8.900 8.900 8.356 0.544 25675 2191 1 5 . 1 1 54 54 ARG N N 54 119.739 119.739 120.590 -0.851 25675 2192 1 5 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.430 1.181 25675 2193 1 5 . 1 1 54 54 ARG C C 54 173.638 173.638 174.523 -0.885 25675 2194 1 5 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.437 0.010 25675 2195 1 5 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.095 0.443 25675 2196 1 5 . 1 1 54 54 ARG H H 54 9.493 9.493 8.260 1.233 25675 2197 1 5 . 1 1 55 55 TYR N N 55 115.879 115.879 118.699 -2.820 25675 2198 1 5 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.706 0.082 25675 2199 1 5 . 1 1 55 55 TYR C C 55 172.417 172.417 174.624 -2.207 25675 2200 1 5 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.942 -1.949 25675 2201 1 5 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.463 0.637 25675 2202 1 5 . 1 1 55 55 TYR H H 55 8.972 8.972 8.232 0.740 25675 2203 1 5 . 1 1 56 56 ARG N N 56 121.380 121.380 124.640 -3.260 25675 2204 1 5 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.687 -0.404 25675 2205 1 5 . 1 1 56 56 ARG C C 56 175.598 175.598 173.888 1.710 25675 2206 1 5 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.823 0.345 25675 2207 1 5 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.426 -1.673 25675 2208 1 5 . 1 1 56 56 ARG H H 56 8.883 8.883 8.494 0.389 25675 2209 1 5 . 1 1 57 57 ASN N N 57 127.980 127.980 125.446 2.534 25675 2210 1 5 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.213 -0.405 25675 2211 1 5 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.650 0.605 25675 2212 1 5 . 1 1 57 57 ASN CB C 57 39.741 39.741 42.097 -2.356 25675 2213 1 5 . 1 1 57 57 ASN H H 57 8.428 8.428 8.712 -0.284 25675 2214 1 5 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.494 -0.201 25675 2215 1 5 . 1 1 58 58 PRO C C 58 177.241 177.241 177.815 -0.574 25675 2216 1 5 . 1 1 58 58 PRO CA C 58 64.592 64.592 65.051 -0.459 25675 2217 1 5 . 1 1 58 58 PRO CB C 58 32.288 32.288 32.156 0.132 25675 2218 1 5 . 1 1 59 59 VAL N N 59 117.104 117.104 113.883 3.221 25675 2219 1 5 . 1 1 59 59 VAL HA H 59 3.909 3.909 3.929 -0.020 25675 2220 1 5 . 1 1 59 59 VAL C C 59 177.077 177.077 177.629 -0.552 25675 2221 1 5 . 1 1 59 59 VAL CA C 59 64.722 64.722 65.127 -0.405 25675 2222 1 5 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.394 0.567 25675 2223 1 5 . 1 1 59 59 VAL H H 59 7.965 7.965 7.864 0.101 25675 2224 1 5 . 1 1 60 60 SER N N 60 113.119 113.119 114.389 -1.270 25675 2225 1 5 . 1 1 60 60 SER HA H 60 4.427 4.427 4.273 0.154 25675 2226 1 5 . 1 1 60 60 SER C C 60 175.252 175.252 174.705 0.547 25675 2227 1 5 . 1 1 60 60 SER CA C 60 58.314 58.314 59.635 -1.321 25675 2228 1 5 . 1 1 60 60 SER CB C 60 65.134 65.134 63.376 1.758 25675 2229 1 5 . 1 1 60 60 SER H H 60 7.691 7.691 8.034 -0.343 25675 2230 1 5 . 1 1 61 61 GLN N N 61 115.138 115.138 116.515 -1.377 25675 2231 1 5 . 1 1 61 61 GLN HA H 61 3.860 3.860 4.046 -0.186 25675 2232 1 5 . 1 1 61 61 GLN C C 61 174.882 174.882 175.161 -0.279 25675 2233 1 5 . 1 1 61 61 GLN CA C 61 57.336 57.336 56.850 0.486 25675 2234 1 5 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.376 -0.376 25675 2235 1 5 . 1 1 61 61 GLN H H 61 8.309 8.309 7.682 0.627 25675 2236 1 5 . 1 1 62 62 CYS N N 62 116.568 116.568 117.076 -0.508 25675 2237 1 5 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.698 -0.166 25675 2238 1 5 . 1 1 62 62 CYS C C 62 174.242 174.242 174.145 0.097 25675 2239 1 5 . 1 1 62 62 CYS CA C 62 58.084 58.084 57.223 0.861 25675 2240 1 5 . 1 1 62 62 CYS CB C 62 29.256 29.256 30.023 -0.767 25675 2241 1 5 . 1 1 62 62 CYS H H 62 7.664 7.664 7.659 0.005 25675 2242 1 5 . 1 1 63 63 MET N N 63 122.627 122.627 120.935 1.692 25675 2243 1 5 . 1 1 63 63 MET HA H 63 4.095 4.095 4.761 -0.666 25675 2244 1 5 . 1 1 63 63 MET C C 63 176.437 176.437 174.695 1.742 25675 2245 1 5 . 1 1 63 63 MET CA C 63 54.992 54.992 54.657 0.334 25675 2246 1 5 . 1 1 63 63 MET CB C 63 32.828 32.828 33.179 -0.351 25675 2247 1 5 . 1 1 63 63 MET H H 63 8.733 8.733 8.486 0.247 25675 2248 1 5 . 1 1 64 64 ARG N N 64 124.300 124.300 120.192 4.108 25675 2249 1 5 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.348 0.119 25675 2250 1 5 . 1 1 64 64 ARG C C 64 174.618 174.618 175.626 -1.008 25675 2251 1 5 . 1 1 64 64 ARG CA C 64 53.788 53.788 56.867 -3.079 25675 2252 1 5 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.624 1.911 25675 2253 1 5 . 1 1 64 64 ARG H H 64 8.995 8.995 8.118 0.877 25675 2254 1 5 . 1 1 65 65 GLY N N 65 122.716 122.716 107.096 15.620 25675 2255 1 5 . 1 1 65 65 GLY C C 65 174.589 174.589 173.513 1.076 25675 2256 1 5 . 1 1 65 65 GLY H H 65 8.474 8.474 8.247 0.227 25675 2257 1 5 . 1 1 66 66 VAL N N 66 124.050 124.050 122.227 1.823 25675 2258 1 5 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.666 0.529 25675 2259 1 5 . 1 1 66 66 VAL C C 66 176.220 176.220 175.925 0.295 25675 2260 1 5 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.635 -1.158 25675 2261 1 5 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.969 0.708 25675 2262 1 5 . 1 1 66 66 VAL H H 66 8.313 8.313 7.580 0.733 25675 2263 1 5 . 1 1 67 67 ARG N N 67 131.490 131.490 128.655 2.835 25675 2264 1 5 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.549 -0.501 25675 2265 1 5 . 1 1 67 67 ARG C C 67 173.497 173.497 174.502 -1.005 25675 2266 1 5 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.123 3.253 25675 2267 1 5 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.922 -0.990 25675 2268 1 5 . 1 1 67 67 ARG H H 67 9.314 9.314 7.953 1.361 25675 2269 1 5 . 1 1 68 68 LEU N N 68 130.230 130.230 126.890 3.340 25675 2270 1 5 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.616 0.588 25675 2271 1 5 . 1 1 68 68 LEU C C 68 175.950 175.950 174.728 1.222 25675 2272 1 5 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.015 -0.201 25675 2273 1 5 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.581 0.512 25675 2274 1 5 . 1 1 68 68 LEU H H 68 8.299 8.299 8.577 -0.278 25675 2275 1 5 . 1 1 69 69 VAL N N 69 127.090 127.090 126.927 0.163 25675 2276 1 5 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.440 -0.113 25675 2277 1 5 . 1 1 69 69 VAL C C 69 176.155 176.155 175.295 0.860 25675 2278 1 5 . 1 1 69 69 VAL CA C 69 61.354 61.354 60.888 0.466 25675 2279 1 5 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.099 1.006 25675 2280 1 5 . 1 1 69 69 VAL H H 69 9.044 9.044 8.329 0.715 25675 2281 1 5 . 1 1 70 70 GLU N N 70 128.672 128.672 125.828 2.844 25675 2282 1 5 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.973 -0.057 25675 2283 1 5 . 1 1 70 70 GLU C C 70 175.891 175.891 176.268 -0.377 25675 2284 1 5 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.438 -0.608 25675 2285 1 5 . 1 1 70 70 GLU CB C 70 27.190 27.190 28.220 -1.030 25675 2286 1 5 . 1 1 70 70 GLU H H 70 9.646 9.646 9.275 0.371 25675 2287 1 5 . 1 1 71 71 GLY N N 71 117.967 117.967 102.331 15.636 25675 2288 1 5 . 1 1 71 71 GLY C C 71 173.327 173.327 173.852 -0.525 25675 2289 1 5 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.406 0.642 25675 2290 1 5 . 1 1 71 71 GLY H H 71 8.417 8.417 8.178 0.239 25675 2291 1 5 . 1 1 72 72 ILE N N 72 123.402 123.402 123.759 -0.357 25675 2292 1 5 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.363 -0.126 25675 2293 1 5 . 1 1 72 72 ILE C C 72 174.882 174.882 176.113 -1.231 25675 2294 1 5 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.926 -0.498 25675 2295 1 5 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.665 1.186 25675 2296 1 5 . 1 1 72 72 ILE H H 72 8.124 8.124 7.748 0.376 25675 2297 1 5 . 1 1 73 73 LEU N N 73 129.380 129.380 130.422 -1.042 25675 2298 1 5 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.834 0.365 25675 2299 1 5 . 1 1 73 73 LEU C C 73 175.932 175.932 176.975 -1.043 25675 2300 1 5 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.993 0.252 25675 2301 1 5 . 1 1 73 73 LEU CB C 73 41.882 41.882 39.877 2.005 25675 2302 1 5 . 1 1 73 73 LEU H H 73 9.353 9.353 8.603 0.750 25675 2303 1 5 . 1 1 74 74 HIS N N 74 120.040 120.040 126.998 -6.958 25675 2304 1 5 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.702 -0.091 25675 2305 1 5 . 1 1 74 74 HIS C C 74 172.371 172.371 173.131 -0.760 25675 2306 1 5 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.864 -1.039 25675 2307 1 5 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.208 -1.357 25675 2308 1 5 . 1 1 74 74 HIS H H 74 8.541 8.541 8.794 -0.253 25675 2309 1 5 . 1 1 75 75 ALA N N 75 125.980 125.980 128.924 -2.944 25675 2310 1 5 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.855 -2.106 25675 2311 1 5 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.618 1.319 25675 2312 1 5 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.894 -1.946 25675 2313 1 5 . 1 1 75 75 ALA H H 75 8.413 8.413 8.199 0.214 25675 2314 1 5 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.196 0.086 25675 2315 1 5 . 1 1 76 76 PRO C C 76 176.185 176.185 176.169 0.016 25675 2316 1 5 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.818 0.463 25675 2317 1 5 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.326 -0.054 25675 2318 1 5 . 1 1 77 77 ASP N N 77 122.297 122.297 117.006 5.291 25675 2319 1 5 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.412 -0.322 25675 2320 1 5 . 1 1 77 77 ASP C C 77 176.977 176.977 176.629 0.348 25675 2321 1 5 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.657 1.847 25675 2322 1 5 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.474 -0.564 25675 2323 1 5 . 1 1 77 77 ASP H H 77 8.454 8.454 8.345 0.109 25675 2324 1 5 . 1 1 78 78 ALA N N 78 118.586 118.586 121.511 -2.925 25675 2325 1 5 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.309 -0.060 25675 2326 1 5 . 1 1 78 78 ALA C C 78 177.458 177.458 177.597 -0.139 25675 2327 1 5 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.523 0.201 25675 2328 1 5 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.118 -1.372 25675 2329 1 5 . 1 1 78 78 ALA H H 78 8.032 8.032 7.584 0.448 25675 2330 1 5 . 1 1 79 79 GLY N N 79 107.830 107.830 105.643 2.187 25675 2331 1 5 . 1 1 79 79 GLY C C 79 172.928 172.928 173.387 -0.459 25675 2332 1 5 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.245 -0.904 25675 2333 1 5 . 1 1 79 79 GLY H H 79 7.902 7.902 7.318 0.584 25675 2334 1 5 . 1 1 80 80 TRP N N 80 119.474 119.474 122.479 -3.005 25675 2335 1 5 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.822 -0.287 25675 2336 1 5 . 1 1 80 80 TRP C C 80 180.190 180.190 177.217 2.973 25675 2337 1 5 . 1 1 80 80 TRP CA C 80 58.670 58.670 57.899 0.771 25675 2338 1 5 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.441 0.645 25675 2339 1 5 . 1 1 80 80 TRP H H 80 8.389 8.389 8.360 0.029 25675 2340 1 5 . 1 1 81 81 GLY N N 81 103.130 103.130 105.542 -2.412 25675 2341 1 5 . 1 1 81 81 GLY C C 81 174.110 174.110 172.296 1.814 25675 2342 1 5 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.863 1.016 25675 2343 1 5 . 1 1 81 81 GLY H H 81 8.519 8.519 8.357 0.162 25675 2344 1 5 . 1 1 82 82 ASN N N 82 120.652 120.652 117.597 3.055 25675 2345 1 5 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.355 -0.279 25675 2346 1 5 . 1 1 82 82 ASN C C 82 175.211 175.211 174.908 0.303 25675 2347 1 5 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.511 -0.526 25675 2348 1 5 . 1 1 82 82 ASN CB C 82 38.657 38.657 39.280 -0.623 25675 2349 1 5 . 1 1 82 82 ASN H H 82 8.800 8.800 8.595 0.205 25675 2350 1 5 . 1 1 83 83 LEU N N 83 118.129 118.129 116.585 1.544 25675 2351 1 5 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.832 -0.703 25675 2352 1 5 . 1 1 83 83 LEU C C 83 174.442 174.442 175.990 -1.548 25675 2353 1 5 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.233 1.566 25675 2354 1 5 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.671 -0.814 25675 2355 1 5 . 1 1 83 83 LEU H H 83 6.883 6.883 7.652 -0.769 25675 2356 1 5 . 1 1 84 84 VAL N N 84 118.316 118.316 117.481 0.835 25675 2357 1 5 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.394 -0.339 25675 2358 1 5 . 1 1 84 84 VAL C C 84 174.630 174.630 175.034 -0.404 25675 2359 1 5 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.050 1.393 25675 2360 1 5 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.001 -0.043 25675 2361 1 5 . 1 1 84 84 VAL H H 84 7.835 7.835 7.824 0.011 25675 2362 1 5 . 1 1 85 85 TYR N N 85 128.110 128.110 125.466 2.644 25675 2363 1 5 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.326 -0.629 25675 2364 1 5 . 1 1 85 85 TYR C C 85 174.313 174.313 174.021 0.292 25675 2365 1 5 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.775 3.346 25675 2366 1 5 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.628 -0.088 25675 2367 1 5 . 1 1 85 85 TYR H H 85 8.886 8.886 9.003 -0.117 25675 2368 1 5 . 1 1 86 86 VAL N N 86 122.593 122.593 123.766 -1.173 25675 2369 1 5 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.931 0.824 25675 2370 1 5 . 1 1 86 86 VAL C C 86 176.531 176.531 176.083 0.448 25675 2371 1 5 . 1 1 86 86 VAL CA C 86 59.999 59.999 59.759 0.240 25675 2372 1 5 . 1 1 86 86 VAL CB C 86 33.419 33.419 32.124 1.295 25675 2373 1 5 . 1 1 86 86 VAL H H 86 9.473 9.473 7.806 1.667 25675 2374 1 5 . 1 1 87 87 VAL N N 87 124.298 124.298 125.135 -0.837 25675 2375 1 5 . 1 1 87 87 VAL HA H 87 3.787 3.787 3.986 -0.199 25675 2376 1 5 . 1 1 87 87 VAL C C 87 174.735 174.735 175.360 -0.625 25675 2377 1 5 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.641 1.085 25675 2378 1 5 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.165 0.558 25675 2379 1 5 . 1 1 87 87 VAL H H 87 7.864 7.864 8.029 -0.165 25675 2380 1 5 . 1 1 88 88 ASN N N 88 123.146 123.146 124.073 -0.927 25675 2381 1 5 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.748 0.026 25675 2382 1 5 . 1 1 88 88 ASN C C 88 172.900 172.900 174.053 -1.153 25675 2383 1 5 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.282 -0.950 25675 2384 1 5 . 1 1 88 88 ASN CB C 88 40.773 40.773 40.423 0.350 25675 2385 1 5 . 1 1 88 88 ASN H H 88 7.786 7.786 8.085 -0.299 25675 2386 1 6 . 1 1 3 3 GLY C C 3 173.761 173.761 174.789 -1.028 25675 2387 1 6 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.058 0.072 25675 2388 1 6 . 1 1 4 4 SER N N 4 115.011 115.011 115.977 -0.966 25675 2389 1 6 . 1 1 4 4 SER HA H 4 4.304 4.304 4.323 -0.019 25675 2390 1 6 . 1 1 4 4 SER C C 4 174.600 174.600 174.336 0.264 25675 2391 1 6 . 1 1 4 4 SER CA C 4 57.900 57.900 59.573 -1.673 25675 2392 1 6 . 1 1 4 4 SER CB C 4 63.800 63.800 63.695 0.105 25675 2393 1 6 . 1 1 4 4 SER H H 4 8.185 8.185 8.229 -0.044 25675 2394 1 6 . 1 1 5 5 HIS N N 5 120.326 120.326 118.627 1.699 25675 2395 1 6 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.743 -0.141 25675 2396 1 6 . 1 1 5 5 HIS C C 5 174.200 174.200 174.549 -0.349 25675 2397 1 6 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.210 0.058 25675 2398 1 6 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.273 -1.273 25675 2399 1 6 . 1 1 5 5 HIS H H 5 8.641 8.641 7.484 1.157 25675 2400 1 6 . 1 1 6 6 HIS N N 6 119.478 119.478 121.312 -1.834 25675 2401 1 6 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.296 0.331 25675 2402 1 6 . 1 1 6 6 HIS C C 6 174.100 174.100 175.005 -0.905 25675 2403 1 6 . 1 1 6 6 HIS CA C 6 55.268 55.268 57.083 -1.815 25675 2404 1 6 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.133 -0.833 25675 2405 1 6 . 1 1 6 6 HIS H H 6 8.555 8.555 8.278 0.277 25675 2406 1 6 . 1 1 7 7 HIS N N 7 120.507 120.507 116.621 3.886 25675 2407 1 6 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.691 -0.110 25675 2408 1 6 . 1 1 7 7 HIS C C 7 174.100 174.100 174.192 -0.092 25675 2409 1 6 . 1 1 7 7 HIS CA C 7 55.268 55.268 54.541 0.728 25675 2410 1 6 . 1 1 7 7 HIS CB C 7 29.300 29.300 31.948 -2.648 25675 2411 1 6 . 1 1 7 7 HIS H H 7 8.777 8.777 7.784 0.993 25675 2412 1 6 . 1 1 8 8 HIS N N 8 120.616 120.616 119.706 0.910 25675 2413 1 6 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.859 -0.259 25675 2414 1 6 . 1 1 8 8 HIS C C 8 174.200 174.200 175.208 -1.008 25675 2415 1 6 . 1 1 8 8 HIS CA C 8 55.268 55.268 56.436 -1.168 25675 2416 1 6 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.384 -1.083 25675 2417 1 6 . 1 1 8 8 HIS H H 8 8.777 8.777 8.728 0.049 25675 2418 1 6 . 1 1 9 9 HIS N N 9 121.131 121.131 123.965 -2.834 25675 2419 1 6 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.467 0.113 25675 2420 1 6 . 1 1 9 9 HIS C C 9 173.990 173.990 174.900 -0.910 25675 2421 1 6 . 1 1 9 9 HIS CA C 9 55.000 55.000 56.121 -1.121 25675 2422 1 6 . 1 1 9 9 HIS CB C 9 29.400 29.400 30.647 -1.247 25675 2423 1 6 . 1 1 9 9 HIS H H 9 8.785 8.785 9.000 -0.215 25675 2424 1 6 . 1 1 10 10 HIS N N 10 121.437 121.437 119.510 1.927 25675 2425 1 6 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.368 0.226 25675 2426 1 6 . 1 1 10 10 HIS C C 10 174.577 174.577 175.738 -1.161 25675 2427 1 6 . 1 1 10 10 HIS CA C 10 55.268 55.268 57.369 -2.101 25675 2428 1 6 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.226 -1.326 25675 2429 1 6 . 1 1 10 10 HIS H H 10 8.769 8.769 7.900 0.869 25675 2430 1 6 . 1 1 11 11 GLY N N 11 111.579 111.579 113.788 -2.209 25675 2431 1 6 . 1 1 11 11 GLY C C 11 174.184 174.184 173.286 0.898 25675 2432 1 6 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.703 0.637 25675 2433 1 6 . 1 1 11 11 GLY H H 11 8.559 8.559 8.155 0.404 25675 2434 1 6 . 1 1 12 12 SER N N 12 115.987 115.987 114.519 1.468 25675 2435 1 6 . 1 1 12 12 SER HA H 12 4.407 4.407 4.589 -0.182 25675 2436 1 6 . 1 1 12 12 SER C C 12 174.817 174.817 174.688 0.129 25675 2437 1 6 . 1 1 12 12 SER CA C 12 58.529 58.529 57.044 1.485 25675 2438 1 6 . 1 1 12 12 SER CB C 12 63.780 63.780 64.480 -0.700 25675 2439 1 6 . 1 1 12 12 SER H H 12 8.353 8.353 7.756 0.597 25675 2440 1 6 . 1 1 13 13 MET N N 13 121.805 121.805 123.438 -1.633 25675 2441 1 6 . 1 1 13 13 MET HA H 13 4.521 4.521 4.448 0.073 25675 2442 1 6 . 1 1 13 13 MET C C 13 176.003 176.003 174.998 1.005 25675 2443 1 6 . 1 1 13 13 MET CA C 13 55.503 55.503 55.964 -0.461 25675 2444 1 6 . 1 1 13 13 MET CB C 13 32.843 32.843 33.445 -0.602 25675 2445 1 6 . 1 1 13 13 MET H H 13 8.432 8.432 8.317 0.115 25675 2446 1 6 . 1 1 14 14 SER N N 14 116.515 116.515 112.952 3.563 25675 2447 1 6 . 1 1 14 14 SER HA H 14 4.265 4.265 4.633 -0.368 25675 2448 1 6 . 1 1 14 14 SER C C 14 174.055 174.055 173.132 0.923 25675 2449 1 6 . 1 1 14 14 SER H H 14 8.205 8.205 8.108 0.097 25675 2450 1 6 . 1 1 15 15 GLU N N 15 122.455 122.455 120.939 1.516 25675 2451 1 6 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.937 -0.702 25675 2452 1 6 . 1 1 15 15 GLU C C 15 174.900 174.900 175.116 -0.216 25675 2453 1 6 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.418 0.210 25675 2454 1 6 . 1 1 15 15 GLU CB C 15 30.225 30.225 33.372 -3.147 25675 2455 1 6 . 1 1 15 15 GLU H H 15 8.292 8.292 8.875 -0.583 25675 2456 1 6 . 1 1 16 16 TYR N N 16 118.896 118.896 117.201 1.695 25675 2457 1 6 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.950 0.111 25675 2458 1 6 . 1 1 16 16 TYR C C 16 174.935 174.935 174.465 0.470 25675 2459 1 6 . 1 1 16 16 TYR CA C 16 56.712 56.712 56.007 0.705 25675 2460 1 6 . 1 1 16 16 TYR CB C 16 41.507 41.507 40.919 0.588 25675 2461 1 6 . 1 1 16 16 TYR H H 16 7.955 7.955 8.193 -0.238 25675 2462 1 6 . 1 1 17 17 ILE N N 17 115.711 115.711 121.456 -5.745 25675 2463 1 6 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.268 0.281 25675 2464 1 6 . 1 1 17 17 ILE C C 17 174.747 174.747 174.047 0.700 25675 2465 1 6 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.855 -0.413 25675 2466 1 6 . 1 1 17 17 ILE CB C 17 40.859 40.859 39.631 1.228 25675 2467 1 6 . 1 1 17 17 ILE H H 17 8.890 8.890 7.959 0.931 25675 2468 1 6 . 1 1 18 18 ARG N N 18 123.175 123.175 129.056 -5.881 25675 2469 1 6 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.398 -0.518 25675 2470 1 6 . 1 1 18 18 ARG C C 18 174.988 174.988 175.222 -0.234 25675 2471 1 6 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.608 1.236 25675 2472 1 6 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.357 0.373 25675 2473 1 6 . 1 1 18 18 ARG H H 18 8.636 8.636 8.275 0.361 25675 2474 1 6 . 1 1 19 19 VAL N N 19 122.554 122.554 120.192 2.362 25675 2475 1 6 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.633 -0.169 25675 2476 1 6 . 1 1 19 19 VAL C C 19 173.984 173.984 174.617 -0.633 25675 2477 1 6 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.811 0.083 25675 2478 1 6 . 1 1 19 19 VAL CB C 19 35.709 35.709 36.061 -0.352 25675 2479 1 6 . 1 1 19 19 VAL H H 19 8.916 8.916 8.161 0.755 25675 2480 1 6 . 1 1 20 20 THR N N 20 118.638 118.638 114.316 4.322 25675 2481 1 6 . 1 1 20 20 THR HA H 20 5.081 5.081 4.919 0.162 25675 2482 1 6 . 1 1 20 20 THR C C 20 172.312 172.312 174.535 -2.223 25675 2483 1 6 . 1 1 20 20 THR CA C 20 57.731 57.731 59.624 -1.893 25675 2484 1 6 . 1 1 20 20 THR CB C 20 71.835 71.835 71.675 0.160 25675 2485 1 6 . 1 1 20 20 THR H H 20 8.794 8.794 8.160 0.634 25675 2486 1 6 . 1 1 21 21 GLU N N 21 124.307 124.307 124.279 0.028 25675 2487 1 6 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.627 0.547 25675 2488 1 6 . 1 1 21 21 GLU C C 21 175.258 175.258 176.089 -0.831 25675 2489 1 6 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.593 -1.693 25675 2490 1 6 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.346 -1.393 25675 2491 1 6 . 1 1 21 21 GLU H H 21 8.792 8.792 8.871 -0.079 25675 2492 1 6 . 1 1 22 22 ASP N N 22 117.282 117.282 119.180 -1.898 25675 2493 1 6 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.772 -0.168 25675 2494 1 6 . 1 1 22 22 ASP C C 22 175.387 175.387 177.157 -1.770 25675 2495 1 6 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.245 0.220 25675 2496 1 6 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.216 -0.341 25675 2497 1 6 . 1 1 22 22 ASP H H 22 7.932 7.932 7.647 0.285 25675 2498 1 6 . 1 1 23 23 GLU N N 23 123.785 123.785 122.136 1.649 25675 2499 1 6 . 1 1 23 23 GLU HA H 23 3.938 3.938 3.960 -0.022 25675 2500 1 6 . 1 1 23 23 GLU C C 23 176.062 176.062 176.681 -0.619 25675 2501 1 6 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.805 0.637 25675 2502 1 6 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.227 0.209 25675 2503 1 6 . 1 1 23 23 GLU H H 23 9.232 9.232 8.800 0.432 25675 2504 1 6 . 1 1 24 24 ASN N N 24 115.807 115.807 117.372 -1.565 25675 2505 1 6 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.622 0.066 25675 2506 1 6 . 1 1 24 24 ASN C C 24 174.636 174.636 175.543 -0.907 25675 2507 1 6 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.249 -0.351 25675 2508 1 6 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.077 0.826 25675 2509 1 6 . 1 1 24 24 ASN H H 24 8.694 8.694 8.443 0.251 25675 2510 1 6 . 1 1 25 25 ASP N N 25 119.629 119.629 119.860 -0.231 25675 2511 1 6 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.787 0.168 25675 2512 1 6 . 1 1 25 25 ASP C C 25 175.269 175.269 175.030 0.239 25675 2513 1 6 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.398 -1.208 25675 2514 1 6 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.604 -1.812 25675 2515 1 6 . 1 1 25 25 ASP H H 25 7.987 7.987 7.471 0.516 25675 2516 1 6 . 1 1 26 26 GLU N N 26 123.692 123.692 118.571 5.121 25675 2517 1 6 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.565 -0.043 25675 2518 1 6 . 1 1 26 26 GLU CA C 26 54.120 54.120 54.083 0.037 25675 2519 1 6 . 1 1 26 26 GLU CB C 26 28.899 28.899 30.459 -1.560 25675 2520 1 6 . 1 1 26 26 GLU H H 26 8.718 8.718 8.440 0.278 25675 2521 1 6 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.460 0.269 25675 2522 1 6 . 1 1 27 27 PRO C C 27 176.126 176.126 175.820 0.306 25675 2523 1 6 . 1 1 27 27 PRO CA C 27 62.351 62.351 63.047 -0.696 25675 2524 1 6 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.884 1.635 25675 2525 1 6 . 1 1 28 28 ILE N N 28 118.646 118.646 125.479 -6.833 25675 2526 1 6 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.215 0.259 25675 2527 1 6 . 1 1 28 28 ILE C C 28 175.181 175.181 174.766 0.415 25675 2528 1 6 . 1 1 28 28 ILE CA C 28 59.448 59.448 60.092 -0.644 25675 2529 1 6 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.181 0.445 25675 2530 1 6 . 1 1 28 28 ILE H H 28 9.244 9.244 8.053 1.191 25675 2531 1 6 . 1 1 29 29 GLU N N 29 120.763 120.763 127.919 -7.156 25675 2532 1 6 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.004 -0.099 25675 2533 1 6 . 1 1 29 29 GLU C C 29 175.739 175.739 175.878 -0.139 25675 2534 1 6 . 1 1 29 29 GLU CA C 29 55.288 55.288 55.539 -0.251 25675 2535 1 6 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.245 -1.205 25675 2536 1 6 . 1 1 29 29 GLU H H 29 8.220 8.220 8.464 -0.244 25675 2537 1 6 . 1 1 30 30 ILE N N 30 124.950 124.950 120.122 4.828 25675 2538 1 6 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.769 -0.023 25675 2539 1 6 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.524 -1.810 25675 2540 1 6 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.612 -0.759 25675 2541 1 6 . 1 1 30 30 ILE H H 30 9.307 9.307 8.351 0.956 25675 2542 1 6 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.596 -0.213 25675 2543 1 6 . 1 1 31 31 PRO C C 31 175.768 175.768 176.330 -0.562 25675 2544 1 6 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.839 -0.057 25675 2545 1 6 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.172 0.195 25675 2546 1 6 . 1 1 32 32 SER N N 32 114.522 114.522 116.430 -1.908 25675 2547 1 6 . 1 1 32 32 SER HA H 32 4.567 4.567 4.589 -0.022 25675 2548 1 6 . 1 1 32 32 SER C C 32 175.170 175.170 174.064 1.106 25675 2549 1 6 . 1 1 32 32 SER CA C 32 56.211 56.211 56.775 -0.564 25675 2550 1 6 . 1 1 32 32 SER CB C 32 65.701 65.701 65.642 0.059 25675 2551 1 6 . 1 1 32 32 SER H H 32 7.835 7.835 8.360 -0.525 25675 2552 1 6 . 1 1 33 33 GLU N N 33 118.001 118.001 121.623 -3.622 25675 2553 1 6 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.225 0.068 25675 2554 1 6 . 1 1 33 33 GLU C C 33 178.843 178.843 176.985 1.858 25675 2555 1 6 . 1 1 33 33 GLU CB C 33 30.593 30.593 30.838 -0.245 25675 2556 1 6 . 1 1 33 33 GLU H H 33 9.229 9.229 8.424 0.805 25675 2557 1 6 . 1 1 34 34 ASP N N 34 122.097 122.097 118.897 3.200 25675 2558 1 6 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.404 -0.132 25675 2559 1 6 . 1 1 34 34 ASP C C 34 175.680 175.680 177.646 -1.966 25675 2560 1 6 . 1 1 34 34 ASP CA C 34 56.962 56.962 57.088 -0.126 25675 2561 1 6 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.970 -0.884 25675 2562 1 6 . 1 1 34 34 ASP H H 34 9.067 9.067 8.776 0.291 25675 2563 1 6 . 1 1 35 35 ASP N N 35 115.678 115.678 118.000 -2.322 25675 2564 1 6 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.463 0.032 25675 2565 1 6 . 1 1 35 35 ASP C C 35 177.470 177.470 177.466 0.004 25675 2566 1 6 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.043 -2.127 25675 2567 1 6 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.575 -0.762 25675 2568 1 6 . 1 1 35 35 ASP H H 35 7.701 7.701 7.907 -0.206 25675 2569 1 6 . 1 1 36 36 GLY N N 36 107.781 107.781 106.222 1.559 25675 2570 1 6 . 1 1 36 36 GLY C C 36 175.387 175.387 174.756 0.631 25675 2571 1 6 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.020 0.506 25675 2572 1 6 . 1 1 36 36 GLY H H 36 8.211 8.211 7.721 0.490 25675 2573 1 6 . 1 1 37 37 THR N N 37 113.224 113.224 114.892 -1.668 25675 2574 1 6 . 1 1 37 37 THR HA H 37 4.787 4.787 5.075 -0.288 25675 2575 1 6 . 1 1 37 37 THR C C 37 175.874 175.874 173.874 2.000 25675 2576 1 6 . 1 1 37 37 THR CA C 37 61.569 61.569 61.136 0.433 25675 2577 1 6 . 1 1 37 37 THR CB C 37 71.292 71.292 70.790 0.502 25675 2578 1 6 . 1 1 37 37 THR H H 37 7.890 7.890 8.794 -0.904 25675 2579 1 6 . 1 1 38 38 VAL N N 38 117.698 117.698 119.920 -2.222 25675 2580 1 6 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.381 -0.034 25675 2581 1 6 . 1 1 38 38 VAL C C 38 175.187 175.187 174.428 0.759 25675 2582 1 6 . 1 1 38 38 VAL CA C 38 61.037 61.037 60.965 0.072 25675 2583 1 6 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.209 0.265 25675 2584 1 6 . 1 1 38 38 VAL H H 38 8.382 8.382 8.065 0.317 25675 2585 1 6 . 1 1 39 39 LEU N N 39 126.182 126.182 127.131 -0.949 25675 2586 1 6 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.322 0.177 25675 2587 1 6 . 1 1 39 39 LEU C C 39 178.655 178.655 177.921 0.734 25675 2588 1 6 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.253 -0.259 25675 2589 1 6 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.702 -2.042 25675 2590 1 6 . 1 1 39 39 LEU H H 39 8.516 8.516 8.704 -0.188 25675 2591 1 6 . 1 1 40 40 LEU N N 40 125.652 125.652 125.243 0.409 25675 2592 1 6 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.051 -0.078 25675 2593 1 6 . 1 1 40 40 LEU C C 40 178.620 178.620 178.677 -0.057 25675 2594 1 6 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.903 0.353 25675 2595 1 6 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.603 -0.605 25675 2596 1 6 . 1 1 40 40 LEU H H 40 8.666 8.666 8.865 -0.199 25675 2597 1 6 . 1 1 41 41 SER N N 41 112.797 112.797 112.300 0.497 25675 2598 1 6 . 1 1 41 41 SER HA H 41 4.359 4.359 4.227 0.132 25675 2599 1 6 . 1 1 41 41 SER C C 41 176.760 176.760 176.529 0.231 25675 2600 1 6 . 1 1 41 41 SER CA C 41 60.390 60.390 61.255 -0.865 25675 2601 1 6 . 1 1 41 41 SER CB C 41 62.032 62.032 62.957 -0.925 25675 2602 1 6 . 1 1 41 41 SER H H 41 8.758 8.758 8.192 0.566 25675 2603 1 6 . 1 1 42 42 THR N N 42 121.066 121.066 118.888 2.178 25675 2604 1 6 . 1 1 42 42 THR HA H 42 3.993 3.993 4.105 -0.112 25675 2605 1 6 . 1 1 42 42 THR C C 42 176.226 176.226 176.186 0.040 25675 2606 1 6 . 1 1 42 42 THR CA C 42 65.206 65.206 65.117 0.089 25675 2607 1 6 . 1 1 42 42 THR CB C 42 67.912 67.912 68.444 -0.532 25675 2608 1 6 . 1 1 42 42 THR H H 42 7.461 7.461 7.452 0.009 25675 2609 1 6 . 1 1 43 43 VAL N N 43 120.996 120.996 120.715 0.281 25675 2610 1 6 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.612 -0.018 25675 2611 1 6 . 1 1 43 43 VAL C C 43 178.796 178.796 177.243 1.553 25675 2612 1 6 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.420 0.388 25675 2613 1 6 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.789 0.051 25675 2614 1 6 . 1 1 43 43 VAL H H 43 7.288 7.288 7.522 -0.234 25675 2615 1 6 . 1 1 44 44 THR N N 44 113.305 113.305 110.603 2.702 25675 2616 1 6 . 1 1 44 44 THR HA H 44 4.202 4.202 4.313 -0.111 25675 2617 1 6 . 1 1 44 44 THR C C 44 176.337 176.337 175.296 1.041 25675 2618 1 6 . 1 1 44 44 THR CA C 44 64.358 64.358 64.313 0.045 25675 2619 1 6 . 1 1 44 44 THR CB C 44 68.969 68.969 68.793 0.176 25675 2620 1 6 . 1 1 44 44 THR H H 44 9.189 9.189 7.605 1.584 25675 2621 1 6 . 1 1 45 45 ALA N N 45 121.618 121.618 123.827 -2.209 25675 2622 1 6 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.091 -0.042 25675 2623 1 6 . 1 1 45 45 ALA C C 45 178.685 178.685 178.808 -0.123 25675 2624 1 6 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.431 0.195 25675 2625 1 6 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.860 -0.583 25675 2626 1 6 . 1 1 45 45 ALA H H 45 7.274 7.274 7.298 -0.024 25675 2627 1 6 . 1 1 46 46 GLN N N 46 112.595 112.595 113.288 -0.693 25675 2628 1 6 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.286 -0.156 25675 2629 1 6 . 1 1 46 46 GLN C C 46 174.823 174.823 175.913 -1.090 25675 2630 1 6 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.788 -0.538 25675 2631 1 6 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.912 -0.992 25675 2632 1 6 . 1 1 46 46 GLN H H 46 6.860 6.860 7.566 -0.706 25675 2633 1 6 . 1 1 47 47 PHE N N 47 118.197 118.197 118.942 -0.745 25675 2634 1 6 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.027 -0.062 25675 2635 1 6 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.697 1.044 25675 2636 1 6 . 1 1 47 47 PHE CB C 47 39.614 39.614 38.498 1.115 25675 2637 1 6 . 1 1 47 47 PHE H H 47 8.344 8.344 7.516 0.828 25675 2638 1 6 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.436 0.004 25675 2639 1 6 . 1 1 48 48 PRO C C 48 178.626 178.626 177.523 1.103 25675 2640 1 6 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.423 0.917 25675 2641 1 6 . 1 1 48 48 PRO CB C 48 31.446 31.446 32.313 -0.867 25675 2642 1 6 . 1 1 49 49 GLY N N 49 111.697 111.697 110.086 1.611 25675 2643 1 6 . 1 1 49 49 GLY C C 49 174.307 174.307 173.263 1.044 25675 2644 1 6 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.772 -0.011 25675 2645 1 6 . 1 1 49 49 GLY H H 49 8.849 8.849 8.577 0.272 25675 2646 1 6 . 1 1 50 50 ALA N N 50 122.602 122.602 121.554 1.048 25675 2647 1 6 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.255 -0.427 25675 2648 1 6 . 1 1 50 50 ALA C C 50 177.534 177.534 176.203 1.331 25675 2649 1 6 . 1 1 50 50 ALA CA C 50 53.406 53.406 51.989 1.417 25675 2650 1 6 . 1 1 50 50 ALA CB C 50 20.390 20.390 19.066 1.324 25675 2651 1 6 . 1 1 50 50 ALA H H 50 8.032 8.032 7.301 0.731 25675 2652 1 6 . 1 1 51 51 CYS N N 51 114.410 114.410 123.415 -9.005 25675 2653 1 6 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.606 -0.061 25675 2654 1 6 . 1 1 51 51 CYS C C 51 174.248 174.248 174.795 -0.547 25675 2655 1 6 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.999 -2.592 25675 2656 1 6 . 1 1 51 51 CYS CB C 51 29.813 29.813 30.338 -0.525 25675 2657 1 6 . 1 1 51 51 CYS H H 51 9.094 9.094 8.456 0.638 25675 2658 1 6 . 1 1 52 52 GLY N N 52 106.620 106.620 107.236 -0.616 25675 2659 1 6 . 1 1 52 52 GLY C C 52 170.769 170.769 171.897 -1.128 25675 2660 1 6 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.477 0.484 25675 2661 1 6 . 1 1 52 52 GLY H H 52 7.467 7.467 7.976 -0.509 25675 2662 1 6 . 1 1 53 53 LEU N N 53 117.961 117.961 121.923 -3.962 25675 2663 1 6 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.439 -0.094 25675 2664 1 6 . 1 1 53 53 LEU C C 53 175.563 175.563 176.628 -1.065 25675 2665 1 6 . 1 1 53 53 LEU CA C 53 53.652 53.652 53.322 0.330 25675 2666 1 6 . 1 1 53 53 LEU CB C 53 48.585 48.585 45.279 3.306 25675 2667 1 6 . 1 1 53 53 LEU H H 53 8.900 8.900 8.357 0.543 25675 2668 1 6 . 1 1 54 54 ARG N N 54 119.739 119.739 118.767 0.972 25675 2669 1 6 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.565 1.046 25675 2670 1 6 . 1 1 54 54 ARG C C 54 173.638 173.638 174.580 -0.942 25675 2671 1 6 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.274 0.173 25675 2672 1 6 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.255 0.283 25675 2673 1 6 . 1 1 54 54 ARG H H 54 9.493 9.493 8.205 1.288 25675 2674 1 6 . 1 1 55 55 TYR N N 55 115.879 115.879 118.512 -2.633 25675 2675 1 6 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.795 -0.007 25675 2676 1 6 . 1 1 55 55 TYR C C 55 172.417 172.417 175.134 -2.717 25675 2677 1 6 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.494 -1.501 25675 2678 1 6 . 1 1 55 55 TYR CB C 55 41.100 41.100 39.988 1.112 25675 2679 1 6 . 1 1 55 55 TYR H H 55 8.972 8.972 7.977 0.995 25675 2680 1 6 . 1 1 56 56 ARG N N 56 121.380 121.380 124.791 -3.411 25675 2681 1 6 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.713 -0.430 25675 2682 1 6 . 1 1 56 56 ARG C C 56 175.598 175.598 173.776 1.822 25675 2683 1 6 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.587 0.581 25675 2684 1 6 . 1 1 56 56 ARG CB C 56 30.753 30.753 31.898 -1.145 25675 2685 1 6 . 1 1 56 56 ARG H H 56 8.883 8.883 8.444 0.439 25675 2686 1 6 . 1 1 57 57 ASN N N 57 127.980 127.980 123.999 3.981 25675 2687 1 6 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.215 -0.407 25675 2688 1 6 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.072 1.183 25675 2689 1 6 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.547 -1.806 25675 2690 1 6 . 1 1 57 57 ASN H H 57 8.428 8.428 8.577 -0.149 25675 2691 1 6 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.469 -0.176 25675 2692 1 6 . 1 1 58 58 PRO C C 58 177.241 177.241 177.204 0.037 25675 2693 1 6 . 1 1 58 58 PRO CA C 58 64.592 64.592 65.176 -0.584 25675 2694 1 6 . 1 1 58 58 PRO CB C 58 32.288 32.288 32.171 0.117 25675 2695 1 6 . 1 1 59 59 VAL N N 59 117.104 117.104 113.540 3.564 25675 2696 1 6 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.171 -0.262 25675 2697 1 6 . 1 1 59 59 VAL C C 59 177.077 177.077 176.602 0.475 25675 2698 1 6 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.306 0.416 25675 2699 1 6 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.188 0.773 25675 2700 1 6 . 1 1 59 59 VAL H H 59 7.965 7.965 7.930 0.035 25675 2701 1 6 . 1 1 60 60 SER N N 60 113.119 113.119 115.244 -2.125 25675 2702 1 6 . 1 1 60 60 SER HA H 60 4.427 4.427 4.459 -0.032 25675 2703 1 6 . 1 1 60 60 SER C C 60 175.252 175.252 174.318 0.934 25675 2704 1 6 . 1 1 60 60 SER CA C 60 58.314 58.314 58.968 -0.654 25675 2705 1 6 . 1 1 60 60 SER CB C 60 65.134 65.134 63.596 1.538 25675 2706 1 6 . 1 1 60 60 SER H H 60 7.691 7.691 7.793 -0.102 25675 2707 1 6 . 1 1 61 61 GLN N N 61 115.138 115.138 115.987 -0.849 25675 2708 1 6 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.978 -0.118 25675 2709 1 6 . 1 1 61 61 GLN C C 61 174.882 174.882 174.897 -0.015 25675 2710 1 6 . 1 1 61 61 GLN CA C 61 57.336 57.336 56.645 0.690 25675 2711 1 6 . 1 1 61 61 GLN CB C 61 26.000 26.000 25.989 0.011 25675 2712 1 6 . 1 1 61 61 GLN H H 61 8.309 8.309 8.144 0.165 25675 2713 1 6 . 1 1 62 62 CYS N N 62 116.568 116.568 112.662 3.906 25675 2714 1 6 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.185 0.347 25675 2715 1 6 . 1 1 62 62 CYS C C 62 174.242 174.242 174.279 -0.037 25675 2716 1 6 . 1 1 62 62 CYS CA C 62 58.084 58.084 59.464 -1.380 25675 2717 1 6 . 1 1 62 62 CYS CB C 62 29.256 29.256 25.482 3.774 25675 2718 1 6 . 1 1 62 62 CYS H H 62 7.664 7.664 8.180 -0.516 25675 2719 1 6 . 1 1 63 63 MET N N 63 122.627 122.627 118.240 4.387 25675 2720 1 6 . 1 1 63 63 MET HA H 63 4.095 4.095 4.503 -0.408 25675 2721 1 6 . 1 1 63 63 MET C C 63 176.437 176.437 176.334 0.103 25675 2722 1 6 . 1 1 63 63 MET CA C 63 54.992 54.992 56.598 -1.606 25675 2723 1 6 . 1 1 63 63 MET CB C 63 32.828 32.828 33.442 -0.614 25675 2724 1 6 . 1 1 63 63 MET H H 63 8.733 8.733 7.790 0.943 25675 2725 1 6 . 1 1 64 64 ARG N N 64 124.300 124.300 118.287 6.013 25675 2726 1 6 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.810 -0.343 25675 2727 1 6 . 1 1 64 64 ARG C C 64 174.618 174.618 175.236 -0.618 25675 2728 1 6 . 1 1 64 64 ARG CA C 64 53.788 53.788 54.954 -1.166 25675 2729 1 6 . 1 1 64 64 ARG CB C 64 33.535 33.535 33.588 -0.053 25675 2730 1 6 . 1 1 64 64 ARG H H 64 8.995 8.995 7.814 1.181 25675 2731 1 6 . 1 1 65 65 GLY N N 65 122.716 122.716 106.916 15.800 25675 2732 1 6 . 1 1 65 65 GLY C C 65 174.589 174.589 172.670 1.919 25675 2733 1 6 . 1 1 65 65 GLY H H 65 8.474 8.474 8.365 0.109 25675 2734 1 6 . 1 1 66 66 VAL N N 66 124.050 124.050 119.618 4.432 25675 2735 1 6 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.734 0.461 25675 2736 1 6 . 1 1 66 66 VAL C C 66 176.220 176.220 174.955 1.265 25675 2737 1 6 . 1 1 66 66 VAL CA C 66 62.477 62.477 62.502 -0.025 25675 2738 1 6 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.810 -0.133 25675 2739 1 6 . 1 1 66 66 VAL H H 66 8.313 8.313 7.684 0.629 25675 2740 1 6 . 1 1 67 67 ARG N N 67 131.490 131.490 126.815 4.675 25675 2741 1 6 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.560 -0.512 25675 2742 1 6 . 1 1 67 67 ARG C C 67 173.497 173.497 174.306 -0.809 25675 2743 1 6 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.427 3.949 25675 2744 1 6 . 1 1 67 67 ARG CB C 67 30.932 30.932 32.311 -1.379 25675 2745 1 6 . 1 1 67 67 ARG H H 67 9.314 9.314 7.954 1.360 25675 2746 1 6 . 1 1 68 68 LEU N N 68 130.230 130.230 126.482 3.748 25675 2747 1 6 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.618 0.586 25675 2748 1 6 . 1 1 68 68 LEU C C 68 175.950 175.950 174.805 1.145 25675 2749 1 6 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.979 -0.165 25675 2750 1 6 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.466 0.627 25675 2751 1 6 . 1 1 68 68 LEU H H 68 8.299 8.299 8.595 -0.296 25675 2752 1 6 . 1 1 69 69 VAL N N 69 127.090 127.090 126.951 0.139 25675 2753 1 6 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.439 -0.112 25675 2754 1 6 . 1 1 69 69 VAL C C 69 176.155 176.155 175.269 0.886 25675 2755 1 6 . 1 1 69 69 VAL CA C 69 61.354 61.354 60.815 0.539 25675 2756 1 6 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.081 1.024 25675 2757 1 6 . 1 1 69 69 VAL H H 69 9.044 9.044 8.561 0.483 25675 2758 1 6 . 1 1 70 70 GLU N N 70 128.672 128.672 125.838 2.834 25675 2759 1 6 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.972 -0.056 25675 2760 1 6 . 1 1 70 70 GLU C C 70 175.891 175.891 176.247 -0.356 25675 2761 1 6 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.426 -0.596 25675 2762 1 6 . 1 1 70 70 GLU CB C 70 27.190 27.190 28.181 -0.991 25675 2763 1 6 . 1 1 70 70 GLU H H 70 9.646 9.646 9.281 0.365 25675 2764 1 6 . 1 1 71 71 GLY N N 71 117.967 117.967 102.276 15.691 25675 2765 1 6 . 1 1 71 71 GLY C C 71 173.327 173.327 173.868 -0.541 25675 2766 1 6 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.410 0.638 25675 2767 1 6 . 1 1 71 71 GLY H H 71 8.417 8.417 8.173 0.244 25675 2768 1 6 . 1 1 72 72 ILE N N 72 123.402 123.402 123.589 -0.187 25675 2769 1 6 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.429 -0.192 25675 2770 1 6 . 1 1 72 72 ILE C C 72 174.882 174.882 176.105 -1.223 25675 2771 1 6 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.584 -0.156 25675 2772 1 6 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.793 1.058 25675 2773 1 6 . 1 1 72 72 ILE H H 72 8.124 8.124 7.648 0.476 25675 2774 1 6 . 1 1 73 73 LEU N N 73 129.380 129.380 130.438 -1.058 25675 2775 1 6 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.805 0.394 25675 2776 1 6 . 1 1 73 73 LEU C C 73 175.932 175.932 177.093 -1.161 25675 2777 1 6 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.935 0.310 25675 2778 1 6 . 1 1 73 73 LEU CB C 73 41.882 41.882 39.606 2.276 25675 2779 1 6 . 1 1 73 73 LEU H H 73 9.353 9.353 8.375 0.978 25675 2780 1 6 . 1 1 74 74 HIS N N 74 120.040 120.040 125.965 -5.925 25675 2781 1 6 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.612 -0.001 25675 2782 1 6 . 1 1 74 74 HIS C C 74 172.371 172.371 173.684 -1.313 25675 2783 1 6 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.918 -1.093 25675 2784 1 6 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.131 -1.280 25675 2785 1 6 . 1 1 74 74 HIS H H 74 8.541 8.541 8.571 -0.030 25675 2786 1 6 . 1 1 75 75 ALA N N 75 125.980 125.980 129.081 -3.101 25675 2787 1 6 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.843 -2.094 25675 2788 1 6 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.846 1.091 25675 2789 1 6 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.936 -1.988 25675 2790 1 6 . 1 1 75 75 ALA H H 75 8.413 8.413 8.196 0.217 25675 2791 1 6 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.204 0.078 25675 2792 1 6 . 1 1 76 76 PRO C C 76 176.185 176.185 175.957 0.228 25675 2793 1 6 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.812 0.469 25675 2794 1 6 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.542 -0.270 25675 2795 1 6 . 1 1 77 77 ASP N N 77 122.297 122.297 116.776 5.521 25675 2796 1 6 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.403 -0.313 25675 2797 1 6 . 1 1 77 77 ASP C C 77 176.977 176.977 176.837 0.140 25675 2798 1 6 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.110 2.394 25675 2799 1 6 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.454 -0.544 25675 2800 1 6 . 1 1 77 77 ASP H H 77 8.454 8.454 8.312 0.142 25675 2801 1 6 . 1 1 78 78 ALA N N 78 118.586 118.586 121.028 -2.442 25675 2802 1 6 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.356 -0.107 25675 2803 1 6 . 1 1 78 78 ALA C C 78 177.458 177.458 177.515 -0.057 25675 2804 1 6 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.377 0.347 25675 2805 1 6 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.088 -1.342 25675 2806 1 6 . 1 1 78 78 ALA H H 78 8.032 8.032 7.659 0.373 25675 2807 1 6 . 1 1 79 79 GLY N N 79 107.830 107.830 105.641 2.189 25675 2808 1 6 . 1 1 79 79 GLY C C 79 172.928 172.928 173.314 -0.386 25675 2809 1 6 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.281 -0.940 25675 2810 1 6 . 1 1 79 79 GLY H H 79 7.902 7.902 7.344 0.558 25675 2811 1 6 . 1 1 80 80 TRP N N 80 119.474 119.474 122.411 -2.937 25675 2812 1 6 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.795 -0.260 25675 2813 1 6 . 1 1 80 80 TRP C C 80 180.190 180.190 177.096 3.094 25675 2814 1 6 . 1 1 80 80 TRP CA C 80 58.670 58.670 57.899 0.771 25675 2815 1 6 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.488 0.598 25675 2816 1 6 . 1 1 80 80 TRP H H 80 8.389 8.389 8.397 -0.008 25675 2817 1 6 . 1 1 81 81 GLY N N 81 103.130 103.130 105.721 -2.591 25675 2818 1 6 . 1 1 81 81 GLY C C 81 174.110 174.110 172.300 1.810 25675 2819 1 6 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.821 1.058 25675 2820 1 6 . 1 1 81 81 GLY H H 81 8.519 8.519 8.264 0.255 25675 2821 1 6 . 1 1 82 82 ASN N N 82 120.652 120.652 118.773 1.879 25675 2822 1 6 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.277 -0.201 25675 2823 1 6 . 1 1 82 82 ASN C C 82 175.211 175.211 174.919 0.292 25675 2824 1 6 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.419 -0.434 25675 2825 1 6 . 1 1 82 82 ASN CB C 82 38.657 38.657 39.229 -0.572 25675 2826 1 6 . 1 1 82 82 ASN H H 82 8.800 8.800 8.530 0.270 25675 2827 1 6 . 1 1 83 83 LEU N N 83 118.129 118.129 116.746 1.383 25675 2828 1 6 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.739 -0.610 25675 2829 1 6 . 1 1 83 83 LEU C C 83 174.442 174.442 175.017 -0.575 25675 2830 1 6 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.810 0.989 25675 2831 1 6 . 1 1 83 83 LEU CB C 83 41.857 41.857 43.904 -2.047 25675 2832 1 6 . 1 1 83 83 LEU H H 83 6.883 6.883 7.500 -0.617 25675 2833 1 6 . 1 1 84 84 VAL N N 84 118.316 118.316 116.765 1.551 25675 2834 1 6 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.505 -0.450 25675 2835 1 6 . 1 1 84 84 VAL C C 84 174.630 174.630 174.892 -0.262 25675 2836 1 6 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.933 0.510 25675 2837 1 6 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.739 -0.781 25675 2838 1 6 . 1 1 84 84 VAL H H 84 7.835 7.835 7.779 0.056 25675 2839 1 6 . 1 1 85 85 TYR N N 85 128.110 128.110 125.624 2.486 25675 2840 1 6 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.563 -0.866 25675 2841 1 6 . 1 1 85 85 TYR C C 85 174.313 174.313 174.428 -0.115 25675 2842 1 6 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.715 3.406 25675 2843 1 6 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.501 0.039 25675 2844 1 6 . 1 1 85 85 TYR H H 85 8.886 8.886 8.976 -0.090 25675 2845 1 6 . 1 1 86 86 VAL N N 86 122.593 122.593 124.240 -1.647 25675 2846 1 6 . 1 1 86 86 VAL HA H 86 4.755 4.755 4.007 0.748 25675 2847 1 6 . 1 1 86 86 VAL C C 86 176.531 176.531 176.446 0.085 25675 2848 1 6 . 1 1 86 86 VAL CA C 86 59.999 59.999 59.654 0.345 25675 2849 1 6 . 1 1 86 86 VAL CB C 86 33.419 33.419 31.513 1.906 25675 2850 1 6 . 1 1 86 86 VAL H H 86 9.473 9.473 7.936 1.537 25675 2851 1 6 . 1 1 87 87 VAL N N 87 124.298 124.298 123.988 0.310 25675 2852 1 6 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.158 -0.371 25675 2853 1 6 . 1 1 87 87 VAL C C 87 174.735 174.735 175.371 -0.636 25675 2854 1 6 . 1 1 87 87 VAL CA C 87 63.726 63.726 63.114 0.612 25675 2855 1 6 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.465 0.258 25675 2856 1 6 . 1 1 87 87 VAL H H 87 7.864 7.864 8.046 -0.182 25675 2857 1 6 . 1 1 88 88 ASN N N 88 123.146 123.146 125.504 -2.358 25675 2858 1 6 . 1 1 88 88 ASN HA H 88 4.774 4.774 5.087 -0.313 25675 2859 1 6 . 1 1 88 88 ASN C C 88 172.900 172.900 173.339 -0.439 25675 2860 1 6 . 1 1 88 88 ASN CA C 88 51.332 51.332 53.038 -1.706 25675 2861 1 6 . 1 1 88 88 ASN CB C 88 40.773 40.773 40.458 0.315 25675 2862 1 6 . 1 1 88 88 ASN H H 88 7.786 7.786 8.417 -0.631 25675 2863 1 7 . 1 1 3 3 GLY C C 3 173.761 173.761 173.776 -0.015 25675 2864 1 7 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.921 0.209 25675 2865 1 7 . 1 1 4 4 SER N N 4 115.011 115.011 113.738 1.273 25675 2866 1 7 . 1 1 4 4 SER HA H 4 4.304 4.304 5.233 -0.929 25675 2867 1 7 . 1 1 4 4 SER C C 4 174.600 174.600 173.540 1.060 25675 2868 1 7 . 1 1 4 4 SER CA C 4 57.900 57.900 57.439 0.461 25675 2869 1 7 . 1 1 4 4 SER CB C 4 63.800 63.800 65.573 -1.773 25675 2870 1 7 . 1 1 4 4 SER H H 4 8.185 8.185 9.124 -0.939 25675 2871 1 7 . 1 1 5 5 HIS N N 5 120.326 120.326 116.207 4.119 25675 2872 1 7 . 1 1 5 5 HIS HA H 5 4.602 4.602 5.355 -0.753 25675 2873 1 7 . 1 1 5 5 HIS C C 5 174.200 174.200 173.532 0.668 25675 2874 1 7 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.300 -0.032 25675 2875 1 7 . 1 1 5 5 HIS CB C 5 29.000 29.000 31.060 -2.060 25675 2876 1 7 . 1 1 5 5 HIS H H 5 8.641 8.641 9.017 -0.376 25675 2877 1 7 . 1 1 6 6 HIS N N 6 119.478 119.478 117.868 1.610 25675 2878 1 7 . 1 1 6 6 HIS HA H 6 4.627 4.627 5.185 -0.558 25675 2879 1 7 . 1 1 6 6 HIS C C 6 174.100 174.100 173.836 0.264 25675 2880 1 7 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.064 0.204 25675 2881 1 7 . 1 1 6 6 HIS CB C 6 29.300 29.300 32.344 -3.044 25675 2882 1 7 . 1 1 6 6 HIS H H 6 8.555 8.555 9.547 -0.992 25675 2883 1 7 . 1 1 7 7 HIS N N 7 120.507 120.507 118.993 1.514 25675 2884 1 7 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.747 -0.166 25675 2885 1 7 . 1 1 7 7 HIS C C 7 174.100 174.100 173.878 0.222 25675 2886 1 7 . 1 1 7 7 HIS CA C 7 55.268 55.268 55.057 0.211 25675 2887 1 7 . 1 1 7 7 HIS CB C 7 29.300 29.300 32.007 -2.707 25675 2888 1 7 . 1 1 7 7 HIS H H 7 8.777 8.777 8.634 0.143 25675 2889 1 7 . 1 1 8 8 HIS N N 8 120.616 120.616 118.906 1.710 25675 2890 1 7 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.722 -0.122 25675 2891 1 7 . 1 1 8 8 HIS C C 8 174.200 174.200 174.276 -0.076 25675 2892 1 7 . 1 1 8 8 HIS CA C 8 55.268 55.268 56.149 -0.881 25675 2893 1 7 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.716 -1.416 25675 2894 1 7 . 1 1 8 8 HIS H H 8 8.777 8.777 8.412 0.365 25675 2895 1 7 . 1 1 9 9 HIS N N 9 121.131 121.131 123.808 -2.677 25675 2896 1 7 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.602 -0.022 25675 2897 1 7 . 1 1 9 9 HIS C C 9 173.990 173.990 174.251 -0.261 25675 2898 1 7 . 1 1 9 9 HIS CA C 9 55.000 55.000 56.026 -1.026 25675 2899 1 7 . 1 1 9 9 HIS CB C 9 29.400 29.400 30.989 -1.589 25675 2900 1 7 . 1 1 9 9 HIS H H 9 8.785 8.785 8.525 0.260 25675 2901 1 7 . 1 1 10 10 HIS N N 10 121.437 121.437 122.365 -0.928 25675 2902 1 7 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.405 0.189 25675 2903 1 7 . 1 1 10 10 HIS C C 10 174.577 174.577 175.514 -0.937 25675 2904 1 7 . 1 1 10 10 HIS CA C 10 55.268 55.268 56.001 -0.733 25675 2905 1 7 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.833 -1.933 25675 2906 1 7 . 1 1 10 10 HIS H H 10 8.769 8.769 8.350 0.419 25675 2907 1 7 . 1 1 11 11 GLY N N 11 111.579 111.579 108.212 3.367 25675 2908 1 7 . 1 1 11 11 GLY C C 11 174.184 174.184 173.922 0.262 25675 2909 1 7 . 1 1 11 11 GLY CA C 11 45.340 45.340 45.773 -0.433 25675 2910 1 7 . 1 1 11 11 GLY H H 11 8.559 8.559 8.929 -0.370 25675 2911 1 7 . 1 1 12 12 SER N N 12 115.987 115.987 115.514 0.473 25675 2912 1 7 . 1 1 12 12 SER HA H 12 4.407 4.407 4.814 -0.407 25675 2913 1 7 . 1 1 12 12 SER C C 12 174.817 174.817 173.140 1.677 25675 2914 1 7 . 1 1 12 12 SER CA C 12 58.529 58.529 57.216 1.313 25675 2915 1 7 . 1 1 12 12 SER CB C 12 63.780 63.780 65.154 -1.374 25675 2916 1 7 . 1 1 12 12 SER H H 12 8.353 8.353 8.007 0.346 25675 2917 1 7 . 1 1 13 13 MET N N 13 121.805 121.805 122.022 -0.217 25675 2918 1 7 . 1 1 13 13 MET HA H 13 4.521 4.521 4.529 -0.008 25675 2919 1 7 . 1 1 13 13 MET C C 13 176.003 176.003 175.735 0.268 25675 2920 1 7 . 1 1 13 13 MET CA C 13 55.503 55.503 55.353 0.149 25675 2921 1 7 . 1 1 13 13 MET CB C 13 32.843 32.843 33.467 -0.624 25675 2922 1 7 . 1 1 13 13 MET H H 13 8.432 8.432 8.278 0.154 25675 2923 1 7 . 1 1 14 14 SER N N 14 116.515 116.515 121.712 -5.197 25675 2924 1 7 . 1 1 14 14 SER HA H 14 4.265 4.265 4.378 -0.113 25675 2925 1 7 . 1 1 14 14 SER C C 14 174.055 174.055 174.218 -0.163 25675 2926 1 7 . 1 1 14 14 SER H H 14 8.205 8.205 8.477 -0.272 25675 2927 1 7 . 1 1 15 15 GLU N N 15 122.455 122.455 127.591 -5.136 25675 2928 1 7 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.589 -0.354 25675 2929 1 7 . 1 1 15 15 GLU C C 15 174.900 174.900 175.112 -0.212 25675 2930 1 7 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.045 0.583 25675 2931 1 7 . 1 1 15 15 GLU CB C 15 30.225 30.225 32.445 -2.220 25675 2932 1 7 . 1 1 15 15 GLU H H 15 8.292 8.292 8.704 -0.412 25675 2933 1 7 . 1 1 16 16 TYR N N 16 118.896 118.896 119.568 -0.672 25675 2934 1 7 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.864 0.197 25675 2935 1 7 . 1 1 16 16 TYR C C 16 174.935 174.935 174.484 0.451 25675 2936 1 7 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.880 0.832 25675 2937 1 7 . 1 1 16 16 TYR CB C 16 41.507 41.507 40.558 0.949 25675 2938 1 7 . 1 1 16 16 TYR H H 16 7.955 7.955 8.102 -0.147 25675 2939 1 7 . 1 1 17 17 ILE N N 17 115.711 115.711 121.442 -5.731 25675 2940 1 7 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.446 0.103 25675 2941 1 7 . 1 1 17 17 ILE C C 17 174.747 174.747 173.959 0.788 25675 2942 1 7 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.831 -0.389 25675 2943 1 7 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.072 0.787 25675 2944 1 7 . 1 1 17 17 ILE H H 17 8.890 8.890 7.984 0.906 25675 2945 1 7 . 1 1 18 18 ARG N N 18 123.175 123.175 129.364 -6.189 25675 2946 1 7 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.328 -0.448 25675 2947 1 7 . 1 1 18 18 ARG C C 18 174.988 174.988 175.142 -0.154 25675 2948 1 7 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.609 1.235 25675 2949 1 7 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.260 0.470 25675 2950 1 7 . 1 1 18 18 ARG H H 18 8.636 8.636 8.419 0.217 25675 2951 1 7 . 1 1 19 19 VAL N N 19 122.554 122.554 118.928 3.626 25675 2952 1 7 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.659 -0.195 25675 2953 1 7 . 1 1 19 19 VAL C C 19 173.984 173.984 174.936 -0.952 25675 2954 1 7 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.417 0.477 25675 2955 1 7 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.959 -0.250 25675 2956 1 7 . 1 1 19 19 VAL H H 19 8.916 8.916 8.263 0.653 25675 2957 1 7 . 1 1 20 20 THR N N 20 118.638 118.638 115.570 3.068 25675 2958 1 7 . 1 1 20 20 THR HA H 20 5.081 5.081 4.921 0.160 25675 2959 1 7 . 1 1 20 20 THR C C 20 172.312 172.312 174.295 -1.983 25675 2960 1 7 . 1 1 20 20 THR CA C 20 57.731 57.731 59.790 -2.059 25675 2961 1 7 . 1 1 20 20 THR CB C 20 71.835 71.835 71.574 0.261 25675 2962 1 7 . 1 1 20 20 THR H H 20 8.794 8.794 8.266 0.528 25675 2963 1 7 . 1 1 21 21 GLU N N 21 124.307 124.307 124.405 -0.098 25675 2964 1 7 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.437 0.737 25675 2965 1 7 . 1 1 21 21 GLU C C 21 175.258 175.258 176.264 -1.006 25675 2966 1 7 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.936 -2.036 25675 2967 1 7 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.106 -1.154 25675 2968 1 7 . 1 1 21 21 GLU H H 21 8.792 8.792 8.829 -0.037 25675 2969 1 7 . 1 1 22 22 ASP N N 22 117.282 117.282 118.771 -1.489 25675 2970 1 7 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.725 -0.121 25675 2971 1 7 . 1 1 22 22 ASP C C 22 175.387 175.387 176.638 -1.251 25675 2972 1 7 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.591 -0.126 25675 2973 1 7 . 1 1 22 22 ASP CB C 22 42.875 42.875 42.816 0.059 25675 2974 1 7 . 1 1 22 22 ASP H H 22 7.932 7.932 7.620 0.312 25675 2975 1 7 . 1 1 23 23 GLU N N 23 123.785 123.785 124.690 -0.905 25675 2976 1 7 . 1 1 23 23 GLU HA H 23 3.938 3.938 3.955 -0.017 25675 2977 1 7 . 1 1 23 23 GLU C C 23 176.062 176.062 176.800 -0.738 25675 2978 1 7 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.781 0.661 25675 2979 1 7 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.367 0.069 25675 2980 1 7 . 1 1 23 23 GLU H H 23 9.232 9.232 8.751 0.481 25675 2981 1 7 . 1 1 24 24 ASN N N 24 115.807 115.807 116.484 -0.677 25675 2982 1 7 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.556 0.132 25675 2983 1 7 . 1 1 24 24 ASN C C 24 174.636 174.636 175.532 -0.896 25675 2984 1 7 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.114 -0.216 25675 2985 1 7 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.140 0.763 25675 2986 1 7 . 1 1 24 24 ASN H H 24 8.694 8.694 8.287 0.407 25675 2987 1 7 . 1 1 25 25 ASP N N 25 119.629 119.629 120.689 -1.060 25675 2988 1 7 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.628 0.327 25675 2989 1 7 . 1 1 25 25 ASP C C 25 175.269 175.269 175.147 0.122 25675 2990 1 7 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.589 -1.399 25675 2991 1 7 . 1 1 25 25 ASP CB C 25 40.792 40.792 41.850 -1.058 25675 2992 1 7 . 1 1 25 25 ASP H H 25 7.987 7.987 7.608 0.379 25675 2993 1 7 . 1 1 26 26 GLU N N 26 123.692 123.692 118.457 5.235 25675 2994 1 7 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.573 -0.051 25675 2995 1 7 . 1 1 26 26 GLU CA C 26 54.120 54.120 53.562 0.558 25675 2996 1 7 . 1 1 26 26 GLU CB C 26 28.899 28.899 30.007 -1.108 25675 2997 1 7 . 1 1 26 26 GLU H H 26 8.718 8.718 8.458 0.260 25675 2998 1 7 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.566 0.163 25675 2999 1 7 . 1 1 27 27 PRO C C 27 176.126 176.126 175.659 0.467 25675 3000 1 7 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.802 -0.451 25675 3001 1 7 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.854 1.665 25675 3002 1 7 . 1 1 28 28 ILE N N 28 118.646 118.646 124.952 -6.306 25675 3003 1 7 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.444 0.030 25675 3004 1 7 . 1 1 28 28 ILE C C 28 175.181 175.181 173.714 1.467 25675 3005 1 7 . 1 1 28 28 ILE CA C 28 59.448 59.448 58.769 0.679 25675 3006 1 7 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.909 -0.283 25675 3007 1 7 . 1 1 28 28 ILE H H 28 9.244 9.244 7.968 1.276 25675 3008 1 7 . 1 1 29 29 GLU N N 29 120.763 120.763 127.966 -7.203 25675 3009 1 7 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.107 -0.202 25675 3010 1 7 . 1 1 29 29 GLU C C 29 175.739 175.739 175.664 0.075 25675 3011 1 7 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.752 0.535 25675 3012 1 7 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.246 -1.206 25675 3013 1 7 . 1 1 29 29 GLU H H 29 8.220 8.220 8.477 -0.257 25675 3014 1 7 . 1 1 30 30 ILE N N 30 124.950 124.950 118.601 6.349 25675 3015 1 7 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.743 0.003 25675 3016 1 7 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.514 -1.800 25675 3017 1 7 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.314 -0.461 25675 3018 1 7 . 1 1 30 30 ILE H H 30 9.307 9.307 8.579 0.728 25675 3019 1 7 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.634 -0.251 25675 3020 1 7 . 1 1 31 31 PRO C C 31 175.768 175.768 176.278 -0.510 25675 3021 1 7 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.906 -0.124 25675 3022 1 7 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.244 0.123 25675 3023 1 7 . 1 1 32 32 SER N N 32 114.522 114.522 116.386 -1.864 25675 3024 1 7 . 1 1 32 32 SER HA H 32 4.567 4.567 4.512 0.055 25675 3025 1 7 . 1 1 32 32 SER C C 32 175.170 175.170 173.703 1.467 25675 3026 1 7 . 1 1 32 32 SER CA C 32 56.211 56.211 56.566 -0.356 25675 3027 1 7 . 1 1 32 32 SER CB C 32 65.701 65.701 65.401 0.300 25675 3028 1 7 . 1 1 32 32 SER H H 32 7.835 7.835 8.253 -0.418 25675 3029 1 7 . 1 1 33 33 GLU N N 33 118.001 118.001 120.782 -2.781 25675 3030 1 7 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.383 -0.090 25675 3031 1 7 . 1 1 33 33 GLU C C 33 178.843 178.843 177.811 1.032 25675 3032 1 7 . 1 1 33 33 GLU CB C 33 30.593 30.593 30.596 -0.003 25675 3033 1 7 . 1 1 33 33 GLU H H 33 9.229 9.229 8.384 0.845 25675 3034 1 7 . 1 1 34 34 ASP N N 34 122.097 122.097 121.262 0.835 25675 3035 1 7 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.508 -0.236 25675 3036 1 7 . 1 1 34 34 ASP C C 34 175.680 175.680 177.248 -1.568 25675 3037 1 7 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.440 0.522 25675 3038 1 7 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.782 -0.696 25675 3039 1 7 . 1 1 34 34 ASP H H 34 9.067 9.067 8.960 0.107 25675 3040 1 7 . 1 1 35 35 ASP N N 35 115.678 115.678 118.208 -2.530 25675 3041 1 7 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.556 -0.061 25675 3042 1 7 . 1 1 35 35 ASP C C 35 177.470 177.470 177.187 0.283 25675 3043 1 7 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.021 -2.105 25675 3044 1 7 . 1 1 35 35 ASP CB C 35 39.813 39.813 41.581 -1.768 25675 3045 1 7 . 1 1 35 35 ASP H H 35 7.701 7.701 8.292 -0.591 25675 3046 1 7 . 1 1 36 36 GLY N N 36 107.781 107.781 105.723 2.058 25675 3047 1 7 . 1 1 36 36 GLY C C 36 175.387 175.387 174.043 1.344 25675 3048 1 7 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.670 -0.144 25675 3049 1 7 . 1 1 36 36 GLY H H 36 8.211 8.211 7.896 0.315 25675 3050 1 7 . 1 1 37 37 THR N N 37 113.224 113.224 112.730 0.494 25675 3051 1 7 . 1 1 37 37 THR HA H 37 4.787 4.787 4.857 -0.070 25675 3052 1 7 . 1 1 37 37 THR C C 37 175.874 175.874 173.688 2.186 25675 3053 1 7 . 1 1 37 37 THR CA C 37 61.569 61.569 60.749 0.820 25675 3054 1 7 . 1 1 37 37 THR CB C 37 71.292 71.292 70.820 0.472 25675 3055 1 7 . 1 1 37 37 THR H H 37 7.890 7.890 7.676 0.214 25675 3056 1 7 . 1 1 38 38 VAL N N 38 117.698 117.698 120.079 -2.381 25675 3057 1 7 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.367 -0.020 25675 3058 1 7 . 1 1 38 38 VAL C C 38 175.187 175.187 174.358 0.829 25675 3059 1 7 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.107 -0.070 25675 3060 1 7 . 1 1 38 38 VAL CB C 38 35.474 35.474 34.791 0.682 25675 3061 1 7 . 1 1 38 38 VAL H H 38 8.382 8.382 8.316 0.066 25675 3062 1 7 . 1 1 39 39 LEU N N 39 126.182 126.182 127.547 -1.365 25675 3063 1 7 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.235 0.264 25675 3064 1 7 . 1 1 39 39 LEU C C 39 178.655 178.655 177.609 1.046 25675 3065 1 7 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.234 -0.241 25675 3066 1 7 . 1 1 39 39 LEU CB C 39 40.660 40.660 43.206 -2.546 25675 3067 1 7 . 1 1 39 39 LEU H H 39 8.516 8.516 8.677 -0.161 25675 3068 1 7 . 1 1 40 40 LEU N N 40 125.652 125.652 126.120 -0.468 25675 3069 1 7 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.033 -0.060 25675 3070 1 7 . 1 1 40 40 LEU C C 40 178.620 178.620 178.725 -0.105 25675 3071 1 7 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.341 0.915 25675 3072 1 7 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.628 -0.630 25675 3073 1 7 . 1 1 40 40 LEU H H 40 8.666 8.666 8.753 -0.087 25675 3074 1 7 . 1 1 41 41 SER N N 41 112.797 112.797 112.895 -0.098 25675 3075 1 7 . 1 1 41 41 SER HA H 41 4.359 4.359 4.240 0.119 25675 3076 1 7 . 1 1 41 41 SER C C 41 176.760 176.760 176.498 0.262 25675 3077 1 7 . 1 1 41 41 SER CA C 41 60.390 60.390 61.305 -0.915 25675 3078 1 7 . 1 1 41 41 SER CB C 41 62.032 62.032 62.776 -0.744 25675 3079 1 7 . 1 1 41 41 SER H H 41 8.758 8.758 8.290 0.468 25675 3080 1 7 . 1 1 42 42 THR N N 42 121.066 121.066 119.044 2.022 25675 3081 1 7 . 1 1 42 42 THR HA H 42 3.993 3.993 4.087 -0.094 25675 3082 1 7 . 1 1 42 42 THR C C 42 176.226 176.226 175.655 0.571 25675 3083 1 7 . 1 1 42 42 THR CA C 42 65.206 65.206 66.269 -1.063 25675 3084 1 7 . 1 1 42 42 THR CB C 42 67.912 67.912 68.821 -0.909 25675 3085 1 7 . 1 1 42 42 THR H H 42 7.461 7.461 7.653 -0.192 25675 3086 1 7 . 1 1 43 43 VAL N N 43 120.996 120.996 120.940 0.056 25675 3087 1 7 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.571 0.023 25675 3088 1 7 . 1 1 43 43 VAL C C 43 178.796 178.796 177.167 1.629 25675 3089 1 7 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.499 0.309 25675 3090 1 7 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.826 0.014 25675 3091 1 7 . 1 1 43 43 VAL H H 43 7.288 7.288 7.401 -0.113 25675 3092 1 7 . 1 1 44 44 THR N N 44 113.305 113.305 110.564 2.741 25675 3093 1 7 . 1 1 44 44 THR HA H 44 4.202 4.202 4.392 -0.190 25675 3094 1 7 . 1 1 44 44 THR C C 44 176.337 176.337 175.354 0.983 25675 3095 1 7 . 1 1 44 44 THR CA C 44 64.358 64.358 64.344 0.014 25675 3096 1 7 . 1 1 44 44 THR CB C 44 68.969 68.969 68.875 0.094 25675 3097 1 7 . 1 1 44 44 THR H H 44 9.189 9.189 7.629 1.560 25675 3098 1 7 . 1 1 45 45 ALA N N 45 121.618 121.618 123.820 -2.202 25675 3099 1 7 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.017 0.032 25675 3100 1 7 . 1 1 45 45 ALA C C 45 178.685 178.685 178.732 -0.047 25675 3101 1 7 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.376 0.250 25675 3102 1 7 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.584 -0.307 25675 3103 1 7 . 1 1 45 45 ALA H H 45 7.274 7.274 7.153 0.121 25675 3104 1 7 . 1 1 46 46 GLN N N 46 112.595 112.595 114.664 -2.069 25675 3105 1 7 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.295 -0.165 25675 3106 1 7 . 1 1 46 46 GLN C C 46 174.823 174.823 175.642 -0.819 25675 3107 1 7 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.792 -0.542 25675 3108 1 7 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.166 -0.246 25675 3109 1 7 . 1 1 46 46 GLN H H 46 6.860 6.860 7.603 -0.743 25675 3110 1 7 . 1 1 47 47 PHE N N 47 118.197 118.197 118.761 -0.564 25675 3111 1 7 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.086 -0.121 25675 3112 1 7 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.650 1.091 25675 3113 1 7 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.054 0.560 25675 3114 1 7 . 1 1 47 47 PHE H H 47 8.344 8.344 7.601 0.743 25675 3115 1 7 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.496 -0.056 25675 3116 1 7 . 1 1 48 48 PRO C C 48 178.626 178.626 178.012 0.614 25675 3117 1 7 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.724 0.616 25675 3118 1 7 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.946 -0.500 25675 3119 1 7 . 1 1 49 49 GLY N N 49 111.697 111.697 111.321 0.376 25675 3120 1 7 . 1 1 49 49 GLY C C 49 174.307 174.307 174.151 0.156 25675 3121 1 7 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.953 -0.192 25675 3122 1 7 . 1 1 49 49 GLY H H 49 8.849 8.849 8.824 0.025 25675 3123 1 7 . 1 1 50 50 ALA N N 50 122.602 122.602 121.867 0.735 25675 3124 1 7 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.521 -0.693 25675 3125 1 7 . 1 1 50 50 ALA C C 50 177.534 177.534 176.311 1.223 25675 3126 1 7 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.002 1.404 25675 3127 1 7 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.953 1.437 25675 3128 1 7 . 1 1 50 50 ALA H H 50 8.032 8.032 7.562 0.470 25675 3129 1 7 . 1 1 51 51 CYS N N 51 114.410 114.410 124.309 -9.899 25675 3130 1 7 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.586 -0.041 25675 3131 1 7 . 1 1 51 51 CYS C C 51 174.248 174.248 174.958 -0.710 25675 3132 1 7 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.630 -2.223 25675 3133 1 7 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.892 -0.079 25675 3134 1 7 . 1 1 51 51 CYS H H 51 9.094 9.094 8.446 0.648 25675 3135 1 7 . 1 1 52 52 GLY N N 52 106.620 106.620 107.719 -1.099 25675 3136 1 7 . 1 1 52 52 GLY C C 52 170.769 170.769 172.102 -1.333 25675 3137 1 7 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.456 0.505 25675 3138 1 7 . 1 1 52 52 GLY H H 52 7.467 7.467 8.243 -0.776 25675 3139 1 7 . 1 1 53 53 LEU N N 53 117.961 117.961 122.342 -4.381 25675 3140 1 7 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.068 0.277 25675 3141 1 7 . 1 1 53 53 LEU C C 53 175.563 175.563 176.471 -0.908 25675 3142 1 7 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.577 1.075 25675 3143 1 7 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.682 4.903 25675 3144 1 7 . 1 1 53 53 LEU H H 53 8.900 8.900 8.417 0.483 25675 3145 1 7 . 1 1 54 54 ARG N N 54 119.739 119.739 121.181 -1.442 25675 3146 1 7 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.724 0.887 25675 3147 1 7 . 1 1 54 54 ARG C C 54 173.638 173.638 174.888 -1.250 25675 3148 1 7 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.416 0.031 25675 3149 1 7 . 1 1 54 54 ARG CB C 54 34.538 34.538 33.837 0.701 25675 3150 1 7 . 1 1 54 54 ARG H H 54 9.493 9.493 8.154 1.339 25675 3151 1 7 . 1 1 55 55 TYR N N 55 115.879 115.879 118.445 -2.566 25675 3152 1 7 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.737 0.051 25675 3153 1 7 . 1 1 55 55 TYR C C 55 172.417 172.417 174.473 -2.056 25675 3154 1 7 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.806 -1.813 25675 3155 1 7 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.200 0.900 25675 3156 1 7 . 1 1 55 55 TYR H H 55 8.972 8.972 8.495 0.477 25675 3157 1 7 . 1 1 56 56 ARG N N 56 121.380 121.380 123.400 -2.020 25675 3158 1 7 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.799 -0.516 25675 3159 1 7 . 1 1 56 56 ARG C C 56 175.598 175.598 174.247 1.351 25675 3160 1 7 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.330 0.838 25675 3161 1 7 . 1 1 56 56 ARG CB C 56 30.753 30.753 33.174 -2.421 25675 3162 1 7 . 1 1 56 56 ARG H H 56 8.883 8.883 8.556 0.327 25675 3163 1 7 . 1 1 57 57 ASN N N 57 127.980 127.980 125.368 2.612 25675 3164 1 7 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.288 -0.480 25675 3165 1 7 . 1 1 57 57 ASN CA C 57 51.255 51.255 51.089 0.166 25675 3166 1 7 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.544 -1.803 25675 3167 1 7 . 1 1 57 57 ASN H H 57 8.428 8.428 8.402 0.026 25675 3168 1 7 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.418 -0.125 25675 3169 1 7 . 1 1 58 58 PRO C C 58 177.241 177.241 177.031 0.210 25675 3170 1 7 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.876 -0.284 25675 3171 1 7 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.814 0.474 25675 3172 1 7 . 1 1 59 59 VAL N N 59 117.104 117.104 114.344 2.760 25675 3173 1 7 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.139 -0.230 25675 3174 1 7 . 1 1 59 59 VAL C C 59 177.077 177.077 176.464 0.613 25675 3175 1 7 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.038 0.684 25675 3176 1 7 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.688 0.273 25675 3177 1 7 . 1 1 59 59 VAL H H 59 7.965 7.965 7.903 0.062 25675 3178 1 7 . 1 1 60 60 SER N N 60 113.119 113.119 114.559 -1.440 25675 3179 1 7 . 1 1 60 60 SER HA H 60 4.427 4.427 4.402 0.025 25675 3180 1 7 . 1 1 60 60 SER C C 60 175.252 175.252 174.110 1.142 25675 3181 1 7 . 1 1 60 60 SER CA C 60 58.314 58.314 58.849 -0.535 25675 3182 1 7 . 1 1 60 60 SER CB C 60 65.134 65.134 63.632 1.502 25675 3183 1 7 . 1 1 60 60 SER H H 60 7.691 7.691 7.687 0.004 25675 3184 1 7 . 1 1 61 61 GLN N N 61 115.138 115.138 115.692 -0.554 25675 3185 1 7 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.985 -0.125 25675 3186 1 7 . 1 1 61 61 GLN C C 61 174.882 174.882 175.138 -0.256 25675 3187 1 7 . 1 1 61 61 GLN CA C 61 57.336 57.336 56.781 0.555 25675 3188 1 7 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.464 -0.464 25675 3189 1 7 . 1 1 61 61 GLN H H 61 8.309 8.309 8.212 0.097 25675 3190 1 7 . 1 1 62 62 CYS N N 62 116.568 116.568 117.365 -0.797 25675 3191 1 7 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.542 -0.010 25675 3192 1 7 . 1 1 62 62 CYS C C 62 174.242 174.242 174.124 0.118 25675 3193 1 7 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.094 -0.010 25675 3194 1 7 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.932 -0.676 25675 3195 1 7 . 1 1 62 62 CYS H H 62 7.664 7.664 7.800 -0.136 25675 3196 1 7 . 1 1 63 63 MET N N 63 122.627 122.627 121.792 0.835 25675 3197 1 7 . 1 1 63 63 MET HA H 63 4.095 4.095 4.803 -0.708 25675 3198 1 7 . 1 1 63 63 MET C C 63 176.437 176.437 174.870 1.567 25675 3199 1 7 . 1 1 63 63 MET CA C 63 54.992 54.992 54.363 0.629 25675 3200 1 7 . 1 1 63 63 MET CB C 63 32.828 32.828 32.791 0.037 25675 3201 1 7 . 1 1 63 63 MET H H 63 8.733 8.733 8.382 0.351 25675 3202 1 7 . 1 1 64 64 ARG N N 64 124.300 124.300 121.176 3.124 25675 3203 1 7 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.247 0.220 25675 3204 1 7 . 1 1 64 64 ARG C C 64 174.618 174.618 175.960 -1.342 25675 3205 1 7 . 1 1 64 64 ARG CA C 64 53.788 53.788 57.139 -3.351 25675 3206 1 7 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.557 1.978 25675 3207 1 7 . 1 1 64 64 ARG H H 64 8.995 8.995 7.777 1.218 25675 3208 1 7 . 1 1 65 65 GLY N N 65 122.716 122.716 105.864 16.852 25675 3209 1 7 . 1 1 65 65 GLY C C 65 174.589 174.589 173.092 1.497 25675 3210 1 7 . 1 1 65 65 GLY H H 65 8.474 8.474 8.360 0.114 25675 3211 1 7 . 1 1 66 66 VAL N N 66 124.050 124.050 120.735 3.315 25675 3212 1 7 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.729 0.466 25675 3213 1 7 . 1 1 66 66 VAL C C 66 176.220 176.220 175.882 0.338 25675 3214 1 7 . 1 1 66 66 VAL CA C 66 62.477 62.477 62.434 0.043 25675 3215 1 7 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.035 0.641 25675 3216 1 7 . 1 1 66 66 VAL H H 66 8.313 8.313 7.952 0.361 25675 3217 1 7 . 1 1 67 67 ARG N N 67 131.490 131.490 128.818 2.672 25675 3218 1 7 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.402 -0.354 25675 3219 1 7 . 1 1 67 67 ARG C C 67 173.497 173.497 174.642 -1.145 25675 3220 1 7 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.571 2.805 25675 3221 1 7 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.411 -0.479 25675 3222 1 7 . 1 1 67 67 ARG H H 67 9.314 9.314 7.928 1.386 25675 3223 1 7 . 1 1 68 68 LEU N N 68 130.230 130.230 127.139 3.091 25675 3224 1 7 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.583 0.621 25675 3225 1 7 . 1 1 68 68 LEU C C 68 175.950 175.950 175.053 0.897 25675 3226 1 7 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.117 -0.303 25675 3227 1 7 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.237 0.856 25675 3228 1 7 . 1 1 68 68 LEU H H 68 8.299 8.299 8.579 -0.280 25675 3229 1 7 . 1 1 69 69 VAL N N 69 127.090 127.090 127.849 -0.759 25675 3230 1 7 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.300 0.027 25675 3231 1 7 . 1 1 69 69 VAL C C 69 176.155 176.155 175.444 0.711 25675 3232 1 7 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.537 -0.183 25675 3233 1 7 . 1 1 69 69 VAL CB C 69 35.105 35.105 32.764 2.341 25675 3234 1 7 . 1 1 69 69 VAL H H 69 9.044 9.044 8.957 0.087 25675 3235 1 7 . 1 1 70 70 GLU N N 70 128.672 128.672 126.003 2.669 25675 3236 1 7 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.943 -0.027 25675 3237 1 7 . 1 1 70 70 GLU C C 70 175.891 175.891 176.419 -0.528 25675 3238 1 7 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.311 -0.481 25675 3239 1 7 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.573 -0.383 25675 3240 1 7 . 1 1 70 70 GLU H H 70 9.646 9.646 9.460 0.186 25675 3241 1 7 . 1 1 71 71 GLY N N 71 117.967 117.967 102.003 15.964 25675 3242 1 7 . 1 1 71 71 GLY C C 71 173.327 173.327 174.382 -1.055 25675 3243 1 7 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.369 0.679 25675 3244 1 7 . 1 1 71 71 GLY H H 71 8.417 8.417 8.249 0.168 25675 3245 1 7 . 1 1 72 72 ILE N N 72 123.402 123.402 124.217 -0.815 25675 3246 1 7 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.242 -0.005 25675 3247 1 7 . 1 1 72 72 ILE C C 72 174.882 174.882 176.021 -1.139 25675 3248 1 7 . 1 1 72 72 ILE CA C 72 61.428 61.428 62.178 -0.750 25675 3249 1 7 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.723 1.128 25675 3250 1 7 . 1 1 72 72 ILE H H 72 8.124 8.124 7.992 0.132 25675 3251 1 7 . 1 1 73 73 LEU N N 73 129.380 129.380 130.529 -1.149 25675 3252 1 7 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.881 0.318 25675 3253 1 7 . 1 1 73 73 LEU C C 73 175.932 175.932 177.018 -1.086 25675 3254 1 7 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.917 0.328 25675 3255 1 7 . 1 1 73 73 LEU CB C 73 41.882 41.882 39.672 2.210 25675 3256 1 7 . 1 1 73 73 LEU H H 73 9.353 9.353 8.699 0.654 25675 3257 1 7 . 1 1 74 74 HIS N N 74 120.040 120.040 126.872 -6.832 25675 3258 1 7 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.694 -0.083 25675 3259 1 7 . 1 1 74 74 HIS C C 74 172.371 172.371 173.141 -0.770 25675 3260 1 7 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.900 -1.075 25675 3261 1 7 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.157 -1.306 25675 3262 1 7 . 1 1 74 74 HIS H H 74 8.541 8.541 8.630 -0.089 25675 3263 1 7 . 1 1 75 75 ALA N N 75 125.980 125.980 128.869 -2.889 25675 3264 1 7 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.829 -2.080 25675 3265 1 7 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.789 1.148 25675 3266 1 7 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.727 -1.779 25675 3267 1 7 . 1 1 75 75 ALA H H 75 8.413 8.413 8.206 0.207 25675 3268 1 7 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.201 0.081 25675 3269 1 7 . 1 1 76 76 PRO C C 76 176.185 176.185 176.039 0.146 25675 3270 1 7 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.943 0.338 25675 3271 1 7 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.406 -0.133 25675 3272 1 7 . 1 1 77 77 ASP N N 77 122.297 122.297 116.813 5.484 25675 3273 1 7 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.418 -0.328 25675 3274 1 7 . 1 1 77 77 ASP C C 77 176.977 176.977 176.811 0.166 25675 3275 1 7 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.537 1.967 25675 3276 1 7 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.445 -0.535 25675 3277 1 7 . 1 1 77 77 ASP H H 77 8.454 8.454 8.280 0.174 25675 3278 1 7 . 1 1 78 78 ALA N N 78 118.586 118.586 120.871 -2.285 25675 3279 1 7 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.372 -0.123 25675 3280 1 7 . 1 1 78 78 ALA C C 78 177.458 177.458 177.668 -0.210 25675 3281 1 7 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.269 0.455 25675 3282 1 7 . 1 1 78 78 ALA CB C 78 18.746 18.746 19.987 -1.241 25675 3283 1 7 . 1 1 78 78 ALA H H 78 8.032 8.032 7.607 0.425 25675 3284 1 7 . 1 1 79 79 GLY N N 79 107.830 107.830 105.087 2.743 25675 3285 1 7 . 1 1 79 79 GLY C C 79 172.928 172.928 173.888 -0.960 25675 3286 1 7 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.274 -0.933 25675 3287 1 7 . 1 1 79 79 GLY H H 79 7.902 7.902 7.213 0.689 25675 3288 1 7 . 1 1 80 80 TRP N N 80 119.474 119.474 123.025 -3.551 25675 3289 1 7 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.835 -0.300 25675 3290 1 7 . 1 1 80 80 TRP C C 80 180.190 180.190 177.485 2.705 25675 3291 1 7 . 1 1 80 80 TRP CA C 80 58.670 58.670 57.983 0.687 25675 3292 1 7 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.692 0.394 25675 3293 1 7 . 1 1 80 80 TRP H H 80 8.389 8.389 7.853 0.536 25675 3294 1 7 . 1 1 81 81 GLY N N 81 103.130 103.130 105.496 -2.366 25675 3295 1 7 . 1 1 81 81 GLY C C 81 174.110 174.110 172.855 1.255 25675 3296 1 7 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.982 0.897 25675 3297 1 7 . 1 1 81 81 GLY H H 81 8.519 8.519 8.199 0.320 25675 3298 1 7 . 1 1 82 82 ASN N N 82 120.652 120.652 119.462 1.190 25675 3299 1 7 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.294 -0.218 25675 3300 1 7 . 1 1 82 82 ASN C C 82 175.211 175.211 175.453 -0.242 25675 3301 1 7 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.201 -0.216 25675 3302 1 7 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.077 0.580 25675 3303 1 7 . 1 1 82 82 ASN H H 82 8.800 8.800 8.474 0.326 25675 3304 1 7 . 1 1 83 83 LEU N N 83 118.129 118.129 117.597 0.532 25675 3305 1 7 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.936 -0.807 25675 3306 1 7 . 1 1 83 83 LEU C C 83 174.442 174.442 175.809 -1.367 25675 3307 1 7 . 1 1 83 83 LEU CA C 83 54.799 54.799 54.059 0.739 25675 3308 1 7 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.628 -0.771 25675 3309 1 7 . 1 1 83 83 LEU H H 83 6.883 6.883 7.561 -0.678 25675 3310 1 7 . 1 1 84 84 VAL N N 84 118.316 118.316 117.090 1.226 25675 3311 1 7 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.521 -0.466 25675 3312 1 7 . 1 1 84 84 VAL C C 84 174.630 174.630 174.755 -0.125 25675 3313 1 7 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.872 0.571 25675 3314 1 7 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.886 -0.928 25675 3315 1 7 . 1 1 84 84 VAL H H 84 7.835 7.835 7.843 -0.008 25675 3316 1 7 . 1 1 85 85 TYR N N 85 128.110 128.110 125.844 2.266 25675 3317 1 7 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.508 -0.811 25675 3318 1 7 . 1 1 85 85 TYR C C 85 174.313 174.313 174.170 0.143 25675 3319 1 7 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.640 3.481 25675 3320 1 7 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.678 -0.138 25675 3321 1 7 . 1 1 85 85 TYR H H 85 8.886 8.886 8.942 -0.056 25675 3322 1 7 . 1 1 86 86 VAL N N 86 122.593 122.593 124.137 -1.544 25675 3323 1 7 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.947 0.808 25675 3324 1 7 . 1 1 86 86 VAL C C 86 176.531 176.531 176.121 0.410 25675 3325 1 7 . 1 1 86 86 VAL CA C 86 59.999 59.999 59.451 0.548 25675 3326 1 7 . 1 1 86 86 VAL CB C 86 33.419 33.419 31.945 1.474 25675 3327 1 7 . 1 1 86 86 VAL H H 86 9.473 9.473 7.910 1.563 25675 3328 1 7 . 1 1 87 87 VAL N N 87 124.298 124.298 125.699 -1.401 25675 3329 1 7 . 1 1 87 87 VAL HA H 87 3.787 3.787 3.846 -0.059 25675 3330 1 7 . 1 1 87 87 VAL C C 87 174.735 174.735 175.371 -0.636 25675 3331 1 7 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.837 0.889 25675 3332 1 7 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.864 0.859 25675 3333 1 7 . 1 1 87 87 VAL H H 87 7.864 7.864 8.035 -0.171 25675 3334 1 7 . 1 1 88 88 ASN N N 88 123.146 123.146 124.371 -1.225 25675 3335 1 7 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.791 -0.017 25675 3336 1 7 . 1 1 88 88 ASN C C 88 172.900 172.900 173.611 -0.711 25675 3337 1 7 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.473 -1.141 25675 3338 1 7 . 1 1 88 88 ASN CB C 88 40.773 40.773 41.136 -0.363 25675 3339 1 7 . 1 1 88 88 ASN H H 88 7.786 7.786 7.904 -0.118 25675 3340 1 8 . 1 1 3 3 GLY C C 3 173.761 173.761 174.346 -0.585 25675 3341 1 8 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.519 -0.389 25675 3342 1 8 . 1 1 4 4 SER N N 4 115.011 115.011 115.085 -0.074 25675 3343 1 8 . 1 1 4 4 SER HA H 4 4.304 4.304 4.451 -0.147 25675 3344 1 8 . 1 1 4 4 SER C C 4 174.600 174.600 173.932 0.668 25675 3345 1 8 . 1 1 4 4 SER CA C 4 57.900 57.900 57.992 -0.092 25675 3346 1 8 . 1 1 4 4 SER CB C 4 63.800 63.800 64.029 -0.229 25675 3347 1 8 . 1 1 4 4 SER H H 4 8.185 8.185 7.878 0.307 25675 3348 1 8 . 1 1 5 5 HIS N N 5 120.326 120.326 121.951 -1.625 25675 3349 1 8 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.622 -0.020 25675 3350 1 8 . 1 1 5 5 HIS C C 5 174.200 174.200 174.783 -0.583 25675 3351 1 8 . 1 1 5 5 HIS CA C 5 55.268 55.268 56.864 -1.596 25675 3352 1 8 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.191 -1.191 25675 3353 1 8 . 1 1 5 5 HIS H H 5 8.641 8.641 8.187 0.454 25675 3354 1 8 . 1 1 6 6 HIS N N 6 119.478 119.478 119.579 -0.101 25675 3355 1 8 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.302 0.325 25675 3356 1 8 . 1 1 6 6 HIS C C 6 174.100 174.100 174.064 0.036 25675 3357 1 8 . 1 1 6 6 HIS CA C 6 55.268 55.268 56.419 -1.151 25675 3358 1 8 . 1 1 6 6 HIS CB C 6 29.300 29.300 29.576 -0.276 25675 3359 1 8 . 1 1 6 6 HIS H H 6 8.555 8.555 8.670 -0.115 25675 3360 1 8 . 1 1 7 7 HIS N N 7 120.507 120.507 122.153 -1.646 25675 3361 1 8 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.526 0.055 25675 3362 1 8 . 1 1 7 7 HIS C C 7 174.100 174.100 175.659 -1.559 25675 3363 1 8 . 1 1 7 7 HIS CA C 7 55.268 55.268 56.783 -1.515 25675 3364 1 8 . 1 1 7 7 HIS CB C 7 29.300 29.300 30.503 -1.204 25675 3365 1 8 . 1 1 7 7 HIS H H 7 8.777 8.777 8.264 0.513 25675 3366 1 8 . 1 1 8 8 HIS N N 8 120.616 120.616 123.080 -2.464 25675 3367 1 8 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.914 -0.314 25675 3368 1 8 . 1 1 8 8 HIS C C 8 174.200 174.200 174.759 -0.559 25675 3369 1 8 . 1 1 8 8 HIS CA C 8 55.268 55.268 55.888 -0.620 25675 3370 1 8 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.077 -0.777 25675 3371 1 8 . 1 1 8 8 HIS H H 8 8.777 8.777 8.957 -0.180 25675 3372 1 8 . 1 1 9 9 HIS N N 9 121.131 121.131 123.538 -2.407 25675 3373 1 8 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.804 -0.224 25675 3374 1 8 . 1 1 9 9 HIS C C 9 173.990 173.990 173.653 0.337 25675 3375 1 8 . 1 1 9 9 HIS CA C 9 55.000 55.000 55.018 -0.018 25675 3376 1 8 . 1 1 9 9 HIS CB C 9 29.400 29.400 31.006 -1.606 25675 3377 1 8 . 1 1 9 9 HIS H H 9 8.785 8.785 8.479 0.306 25675 3378 1 8 . 1 1 10 10 HIS N N 10 121.437 121.437 117.779 3.658 25675 3379 1 8 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.931 -0.337 25675 3380 1 8 . 1 1 10 10 HIS C C 10 174.577 174.577 174.431 0.146 25675 3381 1 8 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.178 0.090 25675 3382 1 8 . 1 1 10 10 HIS CB C 10 28.900 28.900 31.138 -2.238 25675 3383 1 8 . 1 1 10 10 HIS H H 10 8.769 8.769 8.490 0.279 25675 3384 1 8 . 1 1 11 11 GLY N N 11 111.579 111.579 111.266 0.313 25675 3385 1 8 . 1 1 11 11 GLY C C 11 174.184 174.184 173.025 1.159 25675 3386 1 8 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.852 0.488 25675 3387 1 8 . 1 1 11 11 GLY H H 11 8.559 8.559 8.629 -0.070 25675 3388 1 8 . 1 1 12 12 SER N N 12 115.987 115.987 118.404 -2.417 25675 3389 1 8 . 1 1 12 12 SER HA H 12 4.407 4.407 4.593 -0.186 25675 3390 1 8 . 1 1 12 12 SER C C 12 174.817 174.817 173.605 1.212 25675 3391 1 8 . 1 1 12 12 SER CA C 12 58.529 58.529 57.930 0.599 25675 3392 1 8 . 1 1 12 12 SER CB C 12 63.780 63.780 64.464 -0.684 25675 3393 1 8 . 1 1 12 12 SER H H 12 8.353 8.353 8.353 -0.000 25675 3394 1 8 . 1 1 13 13 MET N N 13 121.805 121.805 122.669 -0.864 25675 3395 1 8 . 1 1 13 13 MET HA H 13 4.521 4.521 5.058 -0.537 25675 3396 1 8 . 1 1 13 13 MET C C 13 176.003 176.003 174.936 1.067 25675 3397 1 8 . 1 1 13 13 MET CA C 13 55.503 55.503 55.314 0.189 25675 3398 1 8 . 1 1 13 13 MET CB C 13 32.843 32.843 34.785 -1.942 25675 3399 1 8 . 1 1 13 13 MET H H 13 8.432 8.432 8.243 0.189 25675 3400 1 8 . 1 1 14 14 SER N N 14 116.515 116.515 116.157 0.358 25675 3401 1 8 . 1 1 14 14 SER HA H 14 4.265 4.265 4.624 -0.359 25675 3402 1 8 . 1 1 14 14 SER C C 14 174.055 174.055 173.603 0.452 25675 3403 1 8 . 1 1 14 14 SER H H 14 8.205 8.205 8.389 -0.184 25675 3404 1 8 . 1 1 15 15 GLU N N 15 122.455 122.455 122.287 0.168 25675 3405 1 8 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.630 -0.395 25675 3406 1 8 . 1 1 15 15 GLU C C 15 174.900 174.900 175.127 -0.227 25675 3407 1 8 . 1 1 15 15 GLU CA C 15 55.628 55.628 56.570 -0.942 25675 3408 1 8 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.781 -1.556 25675 3409 1 8 . 1 1 15 15 GLU H H 15 8.292 8.292 8.866 -0.574 25675 3410 1 8 . 1 1 16 16 TYR N N 16 118.896 118.896 115.270 3.626 25675 3411 1 8 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.892 0.169 25675 3412 1 8 . 1 1 16 16 TYR C C 16 174.935 174.935 173.888 1.047 25675 3413 1 8 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.950 0.762 25675 3414 1 8 . 1 1 16 16 TYR CB C 16 41.507 41.507 40.866 0.641 25675 3415 1 8 . 1 1 16 16 TYR H H 16 7.955 7.955 7.833 0.122 25675 3416 1 8 . 1 1 17 17 ILE N N 17 115.711 115.711 120.294 -4.583 25675 3417 1 8 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.409 0.140 25675 3418 1 8 . 1 1 17 17 ILE C C 17 174.747 174.747 173.809 0.938 25675 3419 1 8 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.748 -0.306 25675 3420 1 8 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.406 0.454 25675 3421 1 8 . 1 1 17 17 ILE H H 17 8.890 8.890 7.896 0.994 25675 3422 1 8 . 1 1 18 18 ARG N N 18 123.175 123.175 129.418 -6.243 25675 3423 1 8 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.479 -0.599 25675 3424 1 8 . 1 1 18 18 ARG C C 18 174.988 174.988 175.250 -0.262 25675 3425 1 8 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.665 1.179 25675 3426 1 8 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.199 0.531 25675 3427 1 8 . 1 1 18 18 ARG H H 18 8.636 8.636 8.314 0.322 25675 3428 1 8 . 1 1 19 19 VAL N N 19 122.554 122.554 118.576 3.978 25675 3429 1 8 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.731 -0.267 25675 3430 1 8 . 1 1 19 19 VAL C C 19 173.984 173.984 174.695 -0.711 25675 3431 1 8 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.340 0.554 25675 3432 1 8 . 1 1 19 19 VAL CB C 19 35.709 35.709 36.077 -0.368 25675 3433 1 8 . 1 1 19 19 VAL H H 19 8.916 8.916 8.093 0.823 25675 3434 1 8 . 1 1 20 20 THR N N 20 118.638 118.638 113.254 5.384 25675 3435 1 8 . 1 1 20 20 THR HA H 20 5.081 5.081 4.868 0.213 25675 3436 1 8 . 1 1 20 20 THR C C 20 172.312 172.312 174.058 -1.746 25675 3437 1 8 . 1 1 20 20 THR CA C 20 57.731 57.731 59.399 -1.668 25675 3438 1 8 . 1 1 20 20 THR CB C 20 71.835 71.835 71.058 0.777 25675 3439 1 8 . 1 1 20 20 THR H H 20 8.794 8.794 8.127 0.667 25675 3440 1 8 . 1 1 21 21 GLU N N 21 124.307 124.307 123.395 0.912 25675 3441 1 8 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.682 0.492 25675 3442 1 8 . 1 1 21 21 GLU C C 21 175.258 175.258 176.722 -1.464 25675 3443 1 8 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.575 -1.675 25675 3444 1 8 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.021 -1.069 25675 3445 1 8 . 1 1 21 21 GLU H H 21 8.792 8.792 8.874 -0.082 25675 3446 1 8 . 1 1 22 22 ASP N N 22 117.282 117.282 117.694 -0.412 25675 3447 1 8 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.736 -0.132 25675 3448 1 8 . 1 1 22 22 ASP C C 22 175.387 175.387 176.102 -0.715 25675 3449 1 8 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.712 -0.247 25675 3450 1 8 . 1 1 22 22 ASP CB C 22 42.875 42.875 42.899 -0.024 25675 3451 1 8 . 1 1 22 22 ASP H H 22 7.932 7.932 7.912 0.020 25675 3452 1 8 . 1 1 23 23 GLU N N 23 123.785 123.785 119.101 4.684 25675 3453 1 8 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.163 -0.225 25675 3454 1 8 . 1 1 23 23 GLU C C 23 176.062 176.062 177.337 -1.275 25675 3455 1 8 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.321 1.121 25675 3456 1 8 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.739 -0.303 25675 3457 1 8 . 1 1 23 23 GLU H H 23 9.232 9.232 8.633 0.599 25675 3458 1 8 . 1 1 24 24 ASN N N 24 115.807 115.807 118.443 -2.636 25675 3459 1 8 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.581 0.107 25675 3460 1 8 . 1 1 24 24 ASN C C 24 174.636 174.636 176.330 -1.694 25675 3461 1 8 . 1 1 24 24 ASN CA C 24 53.898 53.898 55.168 -1.270 25675 3462 1 8 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.451 0.452 25675 3463 1 8 . 1 1 24 24 ASN H H 24 8.694 8.694 8.441 0.253 25675 3464 1 8 . 1 1 25 25 ASP N N 25 119.629 119.629 118.963 0.666 25675 3465 1 8 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.623 0.332 25675 3466 1 8 . 1 1 25 25 ASP C C 25 175.269 175.269 175.545 -0.276 25675 3467 1 8 . 1 1 25 25 ASP CA C 25 52.190 52.190 54.235 -2.045 25675 3468 1 8 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.004 -1.212 25675 3469 1 8 . 1 1 25 25 ASP H H 25 7.987 7.987 8.286 -0.299 25675 3470 1 8 . 1 1 26 26 GLU N N 26 123.692 123.692 117.419 6.273 25675 3471 1 8 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.630 -0.108 25675 3472 1 8 . 1 1 26 26 GLU CA C 26 54.120 54.120 53.879 0.241 25675 3473 1 8 . 1 1 26 26 GLU CB C 26 28.899 28.899 31.207 -2.308 25675 3474 1 8 . 1 1 26 26 GLU H H 26 8.718 8.718 8.484 0.234 25675 3475 1 8 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.510 0.219 25675 3476 1 8 . 1 1 27 27 PRO C C 27 176.126 176.126 175.789 0.337 25675 3477 1 8 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.959 -0.608 25675 3478 1 8 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.607 1.912 25675 3479 1 8 . 1 1 28 28 ILE N N 28 118.646 118.646 124.851 -6.205 25675 3480 1 8 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.118 0.356 25675 3481 1 8 . 1 1 28 28 ILE C C 28 175.181 175.181 174.295 0.886 25675 3482 1 8 . 1 1 28 28 ILE CA C 28 59.448 59.448 60.039 -0.591 25675 3483 1 8 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.040 0.586 25675 3484 1 8 . 1 1 28 28 ILE H H 28 9.244 9.244 7.920 1.324 25675 3485 1 8 . 1 1 29 29 GLU N N 29 120.763 120.763 128.185 -7.422 25675 3486 1 8 . 1 1 29 29 GLU HA H 29 4.905 4.905 4.918 -0.013 25675 3487 1 8 . 1 1 29 29 GLU C C 29 175.739 175.739 175.358 0.381 25675 3488 1 8 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.801 0.486 25675 3489 1 8 . 1 1 29 29 GLU CB C 29 29.040 29.040 29.916 -0.876 25675 3490 1 8 . 1 1 29 29 GLU H H 29 8.220 8.220 8.307 -0.087 25675 3491 1 8 . 1 1 30 30 ILE N N 30 124.950 124.950 119.278 5.672 25675 3492 1 8 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.758 -0.012 25675 3493 1 8 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.605 -1.891 25675 3494 1 8 . 1 1 30 30 ILE CB C 30 38.853 38.853 38.938 -0.085 25675 3495 1 8 . 1 1 30 30 ILE H H 30 9.307 9.307 8.600 0.707 25675 3496 1 8 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.637 -0.254 25675 3497 1 8 . 1 1 31 31 PRO C C 31 175.768 175.768 176.321 -0.553 25675 3498 1 8 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.884 -0.102 25675 3499 1 8 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.256 0.111 25675 3500 1 8 . 1 1 32 32 SER N N 32 114.522 114.522 113.685 0.837 25675 3501 1 8 . 1 1 32 32 SER HA H 32 4.567 4.567 4.571 -0.004 25675 3502 1 8 . 1 1 32 32 SER C C 32 175.170 175.170 173.458 1.712 25675 3503 1 8 . 1 1 32 32 SER CA C 32 56.211 56.211 56.757 -0.546 25675 3504 1 8 . 1 1 32 32 SER CB C 32 65.701 65.701 65.668 0.033 25675 3505 1 8 . 1 1 32 32 SER H H 32 7.835 7.835 8.195 -0.360 25675 3506 1 8 . 1 1 33 33 GLU N N 33 118.001 118.001 121.217 -3.216 25675 3507 1 8 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.370 -0.077 25675 3508 1 8 . 1 1 33 33 GLU C C 33 178.843 178.843 177.475 1.368 25675 3509 1 8 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.070 -0.477 25675 3510 1 8 . 1 1 33 33 GLU H H 33 9.229 9.229 8.806 0.423 25675 3511 1 8 . 1 1 34 34 ASP N N 34 122.097 122.097 119.192 2.905 25675 3512 1 8 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.460 -0.188 25675 3513 1 8 . 1 1 34 34 ASP C C 34 175.680 175.680 177.420 -1.740 25675 3514 1 8 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.679 0.283 25675 3515 1 8 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.847 -0.761 25675 3516 1 8 . 1 1 34 34 ASP H H 34 9.067 9.067 8.858 0.209 25675 3517 1 8 . 1 1 35 35 ASP N N 35 115.678 115.678 119.964 -4.286 25675 3518 1 8 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.455 0.040 25675 3519 1 8 . 1 1 35 35 ASP C C 35 177.470 177.470 177.322 0.148 25675 3520 1 8 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.156 -2.240 25675 3521 1 8 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.612 -0.799 25675 3522 1 8 . 1 1 35 35 ASP H H 35 7.701 7.701 8.465 -0.764 25675 3523 1 8 . 1 1 36 36 GLY N N 36 107.781 107.781 105.993 1.788 25675 3524 1 8 . 1 1 36 36 GLY C C 36 175.387 175.387 174.238 1.149 25675 3525 1 8 . 1 1 36 36 GLY CA C 36 45.526 45.526 44.668 0.858 25675 3526 1 8 . 1 1 36 36 GLY H H 36 8.211 8.211 8.305 -0.094 25675 3527 1 8 . 1 1 37 37 THR N N 37 113.224 113.224 112.044 1.180 25675 3528 1 8 . 1 1 37 37 THR HA H 37 4.787 4.787 5.452 -0.665 25675 3529 1 8 . 1 1 37 37 THR C C 37 175.874 175.874 173.215 2.659 25675 3530 1 8 . 1 1 37 37 THR CA C 37 61.569 61.569 59.699 1.870 25675 3531 1 8 . 1 1 37 37 THR CB C 37 71.292 71.292 72.439 -1.147 25675 3532 1 8 . 1 1 37 37 THR H H 37 7.890 7.890 8.380 -0.490 25675 3533 1 8 . 1 1 38 38 VAL N N 38 117.698 117.698 120.647 -2.949 25675 3534 1 8 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.492 -0.145 25675 3535 1 8 . 1 1 38 38 VAL C C 38 175.187 175.187 174.824 0.363 25675 3536 1 8 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.285 -0.248 25675 3537 1 8 . 1 1 38 38 VAL CB C 38 35.474 35.474 33.920 1.554 25675 3538 1 8 . 1 1 38 38 VAL H H 38 8.382 8.382 8.919 -0.537 25675 3539 1 8 . 1 1 39 39 LEU N N 39 126.182 126.182 127.872 -1.690 25675 3540 1 8 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.186 0.313 25675 3541 1 8 . 1 1 39 39 LEU C C 39 178.655 178.655 178.251 0.404 25675 3542 1 8 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.493 -0.499 25675 3543 1 8 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.344 -1.685 25675 3544 1 8 . 1 1 39 39 LEU H H 39 8.516 8.516 8.650 -0.134 25675 3545 1 8 . 1 1 40 40 LEU N N 40 125.652 125.652 123.892 1.760 25675 3546 1 8 . 1 1 40 40 LEU HA H 40 3.973 3.973 3.893 0.080 25675 3547 1 8 . 1 1 40 40 LEU C C 40 178.620 178.620 178.587 0.033 25675 3548 1 8 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.916 0.340 25675 3549 1 8 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.926 -0.928 25675 3550 1 8 . 1 1 40 40 LEU H H 40 8.666 8.666 9.000 -0.334 25675 3551 1 8 . 1 1 41 41 SER N N 41 112.797 112.797 112.665 0.132 25675 3552 1 8 . 1 1 41 41 SER HA H 41 4.359 4.359 4.047 0.312 25675 3553 1 8 . 1 1 41 41 SER C C 41 176.760 176.760 176.607 0.153 25675 3554 1 8 . 1 1 41 41 SER CA C 41 60.390 60.390 61.157 -0.767 25675 3555 1 8 . 1 1 41 41 SER CB C 41 62.032 62.032 62.420 -0.388 25675 3556 1 8 . 1 1 41 41 SER H H 41 8.758 8.758 8.318 0.440 25675 3557 1 8 . 1 1 42 42 THR N N 42 121.066 121.066 119.354 1.712 25675 3558 1 8 . 1 1 42 42 THR HA H 42 3.993 3.993 4.084 -0.091 25675 3559 1 8 . 1 1 42 42 THR C C 42 176.226 176.226 176.165 0.061 25675 3560 1 8 . 1 1 42 42 THR CA C 42 65.206 65.206 65.501 -0.295 25675 3561 1 8 . 1 1 42 42 THR CB C 42 67.912 67.912 68.815 -0.903 25675 3562 1 8 . 1 1 42 42 THR H H 42 7.461 7.461 7.724 -0.263 25675 3563 1 8 . 1 1 43 43 VAL N N 43 120.996 120.996 121.626 -0.630 25675 3564 1 8 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.736 -0.142 25675 3565 1 8 . 1 1 43 43 VAL C C 43 178.796 178.796 177.689 1.107 25675 3566 1 8 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.228 0.580 25675 3567 1 8 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.534 0.306 25675 3568 1 8 . 1 1 43 43 VAL H H 43 7.288 7.288 7.481 -0.193 25675 3569 1 8 . 1 1 44 44 THR N N 44 113.305 113.305 111.530 1.775 25675 3570 1 8 . 1 1 44 44 THR HA H 44 4.202 4.202 4.378 -0.176 25675 3571 1 8 . 1 1 44 44 THR C C 44 176.337 176.337 175.283 1.054 25675 3572 1 8 . 1 1 44 44 THR CA C 44 64.358 64.358 63.815 0.543 25675 3573 1 8 . 1 1 44 44 THR CB C 44 68.969 68.969 68.119 0.850 25675 3574 1 8 . 1 1 44 44 THR H H 44 9.189 9.189 8.278 0.911 25675 3575 1 8 . 1 1 45 45 ALA N N 45 121.618 121.618 123.899 -2.281 25675 3576 1 8 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.128 -0.079 25675 3577 1 8 . 1 1 45 45 ALA C C 45 178.685 178.685 178.716 -0.031 25675 3578 1 8 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.492 0.133 25675 3579 1 8 . 1 1 45 45 ALA CB C 45 18.277 18.277 19.018 -0.741 25675 3580 1 8 . 1 1 45 45 ALA H H 45 7.274 7.274 7.349 -0.075 25675 3581 1 8 . 1 1 46 46 GLN N N 46 112.595 112.595 114.785 -2.190 25675 3582 1 8 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.257 -0.127 25675 3583 1 8 . 1 1 46 46 GLN C C 46 174.823 174.823 175.723 -0.900 25675 3584 1 8 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.796 -0.546 25675 3585 1 8 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.486 -0.566 25675 3586 1 8 . 1 1 46 46 GLN H H 46 6.860 6.860 7.717 -0.857 25675 3587 1 8 . 1 1 47 47 PHE N N 47 118.197 118.197 119.335 -1.138 25675 3588 1 8 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.055 -0.090 25675 3589 1 8 . 1 1 47 47 PHE CA C 47 54.741 54.741 54.026 0.715 25675 3590 1 8 . 1 1 47 47 PHE CB C 47 39.614 39.614 38.717 0.897 25675 3591 1 8 . 1 1 47 47 PHE H H 47 8.344 8.344 7.817 0.527 25675 3592 1 8 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.401 0.039 25675 3593 1 8 . 1 1 48 48 PRO C C 48 178.626 178.626 177.785 0.841 25675 3594 1 8 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.603 0.737 25675 3595 1 8 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.818 -0.372 25675 3596 1 8 . 1 1 49 49 GLY N N 49 111.697 111.697 111.008 0.689 25675 3597 1 8 . 1 1 49 49 GLY C C 49 174.307 174.307 173.433 0.874 25675 3598 1 8 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.552 0.209 25675 3599 1 8 . 1 1 49 49 GLY H H 49 8.849 8.849 8.666 0.183 25675 3600 1 8 . 1 1 50 50 ALA N N 50 122.602 122.602 121.294 1.308 25675 3601 1 8 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.290 -0.462 25675 3602 1 8 . 1 1 50 50 ALA C C 50 177.534 177.534 176.085 1.449 25675 3603 1 8 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.043 1.363 25675 3604 1 8 . 1 1 50 50 ALA CB C 50 20.390 20.390 19.333 1.057 25675 3605 1 8 . 1 1 50 50 ALA H H 50 8.032 8.032 7.301 0.731 25675 3606 1 8 . 1 1 51 51 CYS N N 51 114.410 114.410 122.186 -7.776 25675 3607 1 8 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.749 -0.204 25675 3608 1 8 . 1 1 51 51 CYS C C 51 174.248 174.248 175.056 -0.808 25675 3609 1 8 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.547 -2.140 25675 3610 1 8 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.898 -0.085 25675 3611 1 8 . 1 1 51 51 CYS H H 51 9.094 9.094 8.577 0.517 25675 3612 1 8 . 1 1 52 52 GLY N N 52 106.620 106.620 107.812 -1.192 25675 3613 1 8 . 1 1 52 52 GLY C C 52 170.769 170.769 172.341 -1.572 25675 3614 1 8 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.643 0.318 25675 3615 1 8 . 1 1 52 52 GLY H H 52 7.467 7.467 7.955 -0.488 25675 3616 1 8 . 1 1 53 53 LEU N N 53 117.961 117.961 122.942 -4.981 25675 3617 1 8 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.408 -0.063 25675 3618 1 8 . 1 1 53 53 LEU C C 53 175.563 175.563 176.498 -0.935 25675 3619 1 8 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.591 1.061 25675 3620 1 8 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.762 4.823 25675 3621 1 8 . 1 1 53 53 LEU H H 53 8.900 8.900 8.358 0.542 25675 3622 1 8 . 1 1 54 54 ARG N N 54 119.739 119.739 120.412 -0.673 25675 3623 1 8 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.783 0.828 25675 3624 1 8 . 1 1 54 54 ARG C C 54 173.638 173.638 174.958 -1.320 25675 3625 1 8 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.331 0.116 25675 3626 1 8 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.117 0.421 25675 3627 1 8 . 1 1 54 54 ARG H H 54 9.493 9.493 8.385 1.108 25675 3628 1 8 . 1 1 55 55 TYR N N 55 115.879 115.879 117.770 -1.891 25675 3629 1 8 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.752 0.036 25675 3630 1 8 . 1 1 55 55 TYR C C 55 172.417 172.417 174.661 -2.244 25675 3631 1 8 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.730 -1.737 25675 3632 1 8 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.857 0.243 25675 3633 1 8 . 1 1 55 55 TYR H H 55 8.972 8.972 8.329 0.643 25675 3634 1 8 . 1 1 56 56 ARG N N 56 121.380 121.380 122.733 -1.353 25675 3635 1 8 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.726 -0.443 25675 3636 1 8 . 1 1 56 56 ARG C C 56 175.598 175.598 173.779 1.819 25675 3637 1 8 . 1 1 56 56 ARG CA C 56 55.168 55.168 55.164 0.004 25675 3638 1 8 . 1 1 56 56 ARG CB C 56 30.753 30.753 33.245 -2.492 25675 3639 1 8 . 1 1 56 56 ARG H H 56 8.883 8.883 8.501 0.382 25675 3640 1 8 . 1 1 57 57 ASN N N 57 127.980 127.980 123.293 4.687 25675 3641 1 8 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.034 -0.226 25675 3642 1 8 . 1 1 57 57 ASN CA C 57 51.255 51.255 52.645 -1.391 25675 3643 1 8 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.756 -2.015 25675 3644 1 8 . 1 1 57 57 ASN H H 57 8.428 8.428 8.764 -0.336 25675 3645 1 8 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.326 -0.033 25675 3646 1 8 . 1 1 58 58 PRO C C 58 177.241 177.241 177.971 -0.730 25675 3647 1 8 . 1 1 58 58 PRO CA C 58 64.592 64.592 65.059 -0.467 25675 3648 1 8 . 1 1 58 58 PRO CB C 58 32.288 32.288 32.315 -0.027 25675 3649 1 8 . 1 1 59 59 VAL N N 59 117.104 117.104 114.470 2.634 25675 3650 1 8 . 1 1 59 59 VAL HA H 59 3.909 3.909 3.894 0.015 25675 3651 1 8 . 1 1 59 59 VAL C C 59 177.077 177.077 177.391 -0.314 25675 3652 1 8 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.835 -0.113 25675 3653 1 8 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.158 0.803 25675 3654 1 8 . 1 1 59 59 VAL H H 59 7.965 7.965 7.425 0.540 25675 3655 1 8 . 1 1 60 60 SER N N 60 113.119 113.119 115.059 -1.940 25675 3656 1 8 . 1 1 60 60 SER HA H 60 4.427 4.427 4.278 0.149 25675 3657 1 8 . 1 1 60 60 SER C C 60 175.252 175.252 174.606 0.646 25675 3658 1 8 . 1 1 60 60 SER CA C 60 58.314 58.314 60.162 -1.848 25675 3659 1 8 . 1 1 60 60 SER CB C 60 65.134 65.134 63.298 1.836 25675 3660 1 8 . 1 1 60 60 SER H H 60 7.691 7.691 7.788 -0.097 25675 3661 1 8 . 1 1 61 61 GLN N N 61 115.138 115.138 115.931 -0.793 25675 3662 1 8 . 1 1 61 61 GLN HA H 61 3.860 3.860 4.047 -0.187 25675 3663 1 8 . 1 1 61 61 GLN C C 61 174.882 174.882 175.034 -0.152 25675 3664 1 8 . 1 1 61 61 GLN CA C 61 57.336 57.336 56.780 0.556 25675 3665 1 8 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.456 -0.456 25675 3666 1 8 . 1 1 61 61 GLN H H 61 8.309 8.309 8.015 0.294 25675 3667 1 8 . 1 1 62 62 CYS N N 62 116.568 116.568 116.301 0.267 25675 3668 1 8 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.625 -0.094 25675 3669 1 8 . 1 1 62 62 CYS C C 62 174.242 174.242 173.897 0.345 25675 3670 1 8 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.702 -0.618 25675 3671 1 8 . 1 1 62 62 CYS CB C 62 29.256 29.256 30.166 -0.910 25675 3672 1 8 . 1 1 62 62 CYS H H 62 7.664 7.664 8.090 -0.426 25675 3673 1 8 . 1 1 63 63 MET N N 63 122.627 122.627 123.309 -0.682 25675 3674 1 8 . 1 1 63 63 MET HA H 63 4.095 4.095 4.725 -0.630 25675 3675 1 8 . 1 1 63 63 MET C C 63 176.437 176.437 175.409 1.028 25675 3676 1 8 . 1 1 63 63 MET CA C 63 54.992 54.992 54.743 0.249 25675 3677 1 8 . 1 1 63 63 MET CB C 63 32.828 32.828 32.610 0.218 25675 3678 1 8 . 1 1 63 63 MET H H 63 8.733 8.733 8.516 0.217 25675 3679 1 8 . 1 1 64 64 ARG N N 64 124.300 124.300 120.335 3.965 25675 3680 1 8 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.298 0.169 25675 3681 1 8 . 1 1 64 64 ARG C C 64 174.618 174.618 175.596 -0.978 25675 3682 1 8 . 1 1 64 64 ARG CA C 64 53.788 53.788 57.216 -3.428 25675 3683 1 8 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.617 1.918 25675 3684 1 8 . 1 1 64 64 ARG H H 64 8.995 8.995 8.073 0.922 25675 3685 1 8 . 1 1 65 65 GLY N N 65 122.716 122.716 107.197 15.519 25675 3686 1 8 . 1 1 65 65 GLY C C 65 174.589 174.589 173.683 0.906 25675 3687 1 8 . 1 1 65 65 GLY H H 65 8.474 8.474 8.294 0.180 25675 3688 1 8 . 1 1 66 66 VAL N N 66 124.050 124.050 122.807 1.243 25675 3689 1 8 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.651 0.544 25675 3690 1 8 . 1 1 66 66 VAL C C 66 176.220 176.220 176.117 0.103 25675 3691 1 8 . 1 1 66 66 VAL CA C 66 62.477 62.477 62.802 -0.325 25675 3692 1 8 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.200 1.477 25675 3693 1 8 . 1 1 66 66 VAL H H 66 8.313 8.313 7.664 0.649 25675 3694 1 8 . 1 1 67 67 ARG N N 67 131.490 131.490 128.779 2.711 25675 3695 1 8 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.395 -0.347 25675 3696 1 8 . 1 1 67 67 ARG C C 67 173.497 173.497 174.708 -1.211 25675 3697 1 8 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.603 2.773 25675 3698 1 8 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.813 -0.881 25675 3699 1 8 . 1 1 67 67 ARG H H 67 9.314 9.314 7.840 1.474 25675 3700 1 8 . 1 1 68 68 LEU N N 68 130.230 130.230 125.088 5.142 25675 3701 1 8 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.606 0.598 25675 3702 1 8 . 1 1 68 68 LEU C C 68 175.950 175.950 174.685 1.265 25675 3703 1 8 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.952 -0.138 25675 3704 1 8 . 1 1 68 68 LEU CB C 68 44.093 44.093 44.364 -0.272 25675 3705 1 8 . 1 1 68 68 LEU H H 68 8.299 8.299 8.462 -0.163 25675 3706 1 8 . 1 1 69 69 VAL N N 69 127.090 127.090 126.519 0.571 25675 3707 1 8 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.389 -0.062 25675 3708 1 8 . 1 1 69 69 VAL C C 69 176.155 176.155 175.357 0.798 25675 3709 1 8 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.607 -0.253 25675 3710 1 8 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.215 0.890 25675 3711 1 8 . 1 1 69 69 VAL H H 69 9.044 9.044 8.274 0.770 25675 3712 1 8 . 1 1 70 70 GLU N N 70 128.672 128.672 126.262 2.410 25675 3713 1 8 . 1 1 70 70 GLU HA H 70 3.916 3.916 4.013 -0.097 25675 3714 1 8 . 1 1 70 70 GLU C C 70 175.891 175.891 176.575 -0.684 25675 3715 1 8 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.328 -0.498 25675 3716 1 8 . 1 1 70 70 GLU CB C 70 27.190 27.190 28.058 -0.868 25675 3717 1 8 . 1 1 70 70 GLU H H 70 9.646 9.646 9.237 0.409 25675 3718 1 8 . 1 1 71 71 GLY N N 71 117.967 117.967 102.124 15.843 25675 3719 1 8 . 1 1 71 71 GLY C C 71 173.327 173.327 174.245 -0.918 25675 3720 1 8 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.513 0.535 25675 3721 1 8 . 1 1 71 71 GLY H H 71 8.417 8.417 8.296 0.121 25675 3722 1 8 . 1 1 72 72 ILE N N 72 123.402 123.402 123.009 0.393 25675 3723 1 8 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.364 -0.127 25675 3724 1 8 . 1 1 72 72 ILE C C 72 174.882 174.882 176.124 -1.242 25675 3725 1 8 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.258 0.170 25675 3726 1 8 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.949 0.902 25675 3727 1 8 . 1 1 72 72 ILE H H 72 8.124 8.124 7.870 0.254 25675 3728 1 8 . 1 1 73 73 LEU N N 73 129.380 129.380 130.287 -0.907 25675 3729 1 8 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.710 0.489 25675 3730 1 8 . 1 1 73 73 LEU C C 73 175.932 175.932 176.739 -0.807 25675 3731 1 8 . 1 1 73 73 LEU CA C 73 54.245 54.245 54.389 -0.144 25675 3732 1 8 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.334 1.548 25675 3733 1 8 . 1 1 73 73 LEU H H 73 9.353 9.353 8.901 0.452 25675 3734 1 8 . 1 1 74 74 HIS N N 74 120.040 120.040 126.056 -6.016 25675 3735 1 8 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.721 -0.110 25675 3736 1 8 . 1 1 74 74 HIS C C 74 172.371 172.371 173.630 -1.259 25675 3737 1 8 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.021 -0.196 25675 3738 1 8 . 1 1 74 74 HIS CB C 74 30.851 30.851 31.677 -0.826 25675 3739 1 8 . 1 1 74 74 HIS H H 74 8.541 8.541 8.893 -0.352 25675 3740 1 8 . 1 1 75 75 ALA N N 75 125.980 125.980 130.362 -4.382 25675 3741 1 8 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.613 -1.864 25675 3742 1 8 . 1 1 75 75 ALA CA C 75 49.937 49.937 49.873 0.064 25675 3743 1 8 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.352 -1.404 25675 3744 1 8 . 1 1 75 75 ALA H H 75 8.413 8.413 7.827 0.586 25675 3745 1 8 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.205 0.077 25675 3746 1 8 . 1 1 76 76 PRO C C 76 176.185 176.185 176.257 -0.072 25675 3747 1 8 . 1 1 76 76 PRO CA C 76 62.281 62.281 62.063 0.218 25675 3748 1 8 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.170 0.102 25675 3749 1 8 . 1 1 77 77 ASP N N 77 122.297 122.297 119.463 2.834 25675 3750 1 8 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.503 -0.413 25675 3751 1 8 . 1 1 77 77 ASP C C 77 176.977 176.977 175.116 1.861 25675 3752 1 8 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.277 2.227 25675 3753 1 8 . 1 1 77 77 ASP CB C 77 39.910 39.910 39.006 0.904 25675 3754 1 8 . 1 1 77 77 ASP H H 77 8.454 8.454 8.503 -0.049 25675 3755 1 8 . 1 1 78 78 ALA N N 78 118.586 118.586 120.873 -2.287 25675 3756 1 8 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.350 -0.101 25675 3757 1 8 . 1 1 78 78 ALA C C 78 177.458 177.458 176.487 0.971 25675 3758 1 8 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.470 0.254 25675 3759 1 8 . 1 1 78 78 ALA CB C 78 18.746 18.746 19.944 -1.198 25675 3760 1 8 . 1 1 78 78 ALA H H 78 8.032 8.032 7.782 0.250 25675 3761 1 8 . 1 1 79 79 GLY N N 79 107.830 107.830 105.559 2.271 25675 3762 1 8 . 1 1 79 79 GLY C C 79 172.928 172.928 173.029 -0.101 25675 3763 1 8 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.525 -1.184 25675 3764 1 8 . 1 1 79 79 GLY H H 79 7.902 7.902 7.320 0.582 25675 3765 1 8 . 1 1 80 80 TRP N N 80 119.474 119.474 122.878 -3.404 25675 3766 1 8 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.681 -0.146 25675 3767 1 8 . 1 1 80 80 TRP C C 80 180.190 180.190 177.428 2.762 25675 3768 1 8 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.178 0.492 25675 3769 1 8 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.035 1.051 25675 3770 1 8 . 1 1 80 80 TRP H H 80 8.389 8.389 8.348 0.041 25675 3771 1 8 . 1 1 81 81 GLY N N 81 103.130 103.130 104.563 -1.433 25675 3772 1 8 . 1 1 81 81 GLY C C 81 174.110 174.110 172.104 2.006 25675 3773 1 8 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.767 1.112 25675 3774 1 8 . 1 1 81 81 GLY H H 81 8.519 8.519 8.549 -0.030 25675 3775 1 8 . 1 1 82 82 ASN N N 82 120.652 120.652 121.028 -0.376 25675 3776 1 8 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.740 -0.664 25675 3777 1 8 . 1 1 82 82 ASN C C 82 175.211 175.211 174.707 0.504 25675 3778 1 8 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.080 -0.095 25675 3779 1 8 . 1 1 82 82 ASN CB C 82 38.657 38.657 39.095 -0.438 25675 3780 1 8 . 1 1 82 82 ASN H H 82 8.800 8.800 8.435 0.365 25675 3781 1 8 . 1 1 83 83 LEU N N 83 118.129 118.129 116.738 1.391 25675 3782 1 8 . 1 1 83 83 LEU HA H 83 4.129 4.129 5.015 -0.886 25675 3783 1 8 . 1 1 83 83 LEU C C 83 174.442 174.442 174.336 0.106 25675 3784 1 8 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.067 1.732 25675 3785 1 8 . 1 1 83 83 LEU CB C 83 41.857 41.857 43.537 -1.680 25675 3786 1 8 . 1 1 83 83 LEU H H 83 6.883 6.883 8.215 -1.332 25675 3787 1 8 . 1 1 84 84 VAL N N 84 118.316 118.316 119.682 -1.366 25675 3788 1 8 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.568 -0.513 25675 3789 1 8 . 1 1 84 84 VAL C C 84 174.630 174.630 174.270 0.360 25675 3790 1 8 . 1 1 84 84 VAL CA C 84 62.443 62.443 59.879 2.564 25675 3791 1 8 . 1 1 84 84 VAL CB C 84 31.958 31.958 33.710 -1.752 25675 3792 1 8 . 1 1 84 84 VAL H H 84 7.835 7.835 8.032 -0.197 25675 3793 1 8 . 1 1 85 85 TYR N N 85 128.110 128.110 126.978 1.132 25675 3794 1 8 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.313 -0.616 25675 3795 1 8 . 1 1 85 85 TYR C C 85 174.313 174.313 173.939 0.374 25675 3796 1 8 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.882 3.239 25675 3797 1 8 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.711 -0.171 25675 3798 1 8 . 1 1 85 85 TYR H H 85 8.886 8.886 8.817 0.069 25675 3799 1 8 . 1 1 86 86 VAL N N 86 122.593 122.593 121.765 0.828 25675 3800 1 8 . 1 1 86 86 VAL HA H 86 4.755 4.755 4.033 0.722 25675 3801 1 8 . 1 1 86 86 VAL C C 86 176.531 176.531 176.393 0.138 25675 3802 1 8 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.201 -0.202 25675 3803 1 8 . 1 1 86 86 VAL CB C 86 33.419 33.419 32.943 0.476 25675 3804 1 8 . 1 1 86 86 VAL H H 86 9.473 9.473 7.815 1.658 25675 3805 1 8 . 1 1 87 87 VAL N N 87 124.298 124.298 124.279 0.019 25675 3806 1 8 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.249 -0.462 25675 3807 1 8 . 1 1 87 87 VAL C C 87 174.735 174.735 174.981 -0.246 25675 3808 1 8 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.809 0.917 25675 3809 1 8 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.533 0.190 25675 3810 1 8 . 1 1 87 87 VAL H H 87 7.864 7.864 7.784 0.080 25675 3811 1 8 . 1 1 88 88 ASN N N 88 123.146 123.146 124.990 -1.844 25675 3812 1 8 . 1 1 88 88 ASN HA H 88 4.774 4.774 5.076 -0.302 25675 3813 1 8 . 1 1 88 88 ASN C C 88 172.900 172.900 173.382 -0.482 25675 3814 1 8 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.784 -1.452 25675 3815 1 8 . 1 1 88 88 ASN CB C 88 40.773 40.773 40.100 0.673 25675 3816 1 8 . 1 1 88 88 ASN H H 88 7.786 7.786 8.445 -0.659 25675 3817 1 9 . 1 1 3 3 GLY C C 3 173.761 173.761 173.011 0.750 25675 3818 1 9 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.799 0.331 25675 3819 1 9 . 1 1 4 4 SER N N 4 115.011 115.011 116.353 -1.342 25675 3820 1 9 . 1 1 4 4 SER HA H 4 4.304 4.304 4.550 -0.246 25675 3821 1 9 . 1 1 4 4 SER C C 4 174.600 174.600 174.910 -0.310 25675 3822 1 9 . 1 1 4 4 SER CA C 4 57.900 57.900 58.430 -0.530 25675 3823 1 9 . 1 1 4 4 SER CB C 4 63.800 63.800 63.377 0.423 25675 3824 1 9 . 1 1 4 4 SER H H 4 8.185 8.185 8.442 -0.257 25675 3825 1 9 . 1 1 5 5 HIS N N 5 120.326 120.326 124.401 -4.075 25675 3826 1 9 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.646 -0.044 25675 3827 1 9 . 1 1 5 5 HIS C C 5 174.200 174.200 174.879 -0.679 25675 3828 1 9 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.969 -0.701 25675 3829 1 9 . 1 1 5 5 HIS CB C 5 29.000 29.000 29.961 -0.961 25675 3830 1 9 . 1 1 5 5 HIS H H 5 8.641 8.641 8.730 -0.089 25675 3831 1 9 . 1 1 6 6 HIS N N 6 119.478 119.478 117.263 2.215 25675 3832 1 9 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.785 -0.158 25675 3833 1 9 . 1 1 6 6 HIS C C 6 174.100 174.100 173.990 0.110 25675 3834 1 9 . 1 1 6 6 HIS CA C 6 55.268 55.268 54.034 1.234 25675 3835 1 9 . 1 1 6 6 HIS CB C 6 29.300 29.300 31.398 -2.098 25675 3836 1 9 . 1 1 6 6 HIS H H 6 8.555 8.555 6.976 1.579 25675 3837 1 9 . 1 1 7 7 HIS N N 7 120.507 120.507 118.719 1.788 25675 3838 1 9 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.722 -0.141 25675 3839 1 9 . 1 1 7 7 HIS C C 7 174.100 174.100 173.659 0.441 25675 3840 1 9 . 1 1 7 7 HIS CA C 7 55.268 55.268 54.871 0.397 25675 3841 1 9 . 1 1 7 7 HIS CB C 7 29.300 29.300 31.520 -2.220 25675 3842 1 9 . 1 1 7 7 HIS H H 7 8.777 8.777 8.285 0.492 25675 3843 1 9 . 1 1 8 8 HIS N N 8 120.616 120.616 117.169 3.447 25675 3844 1 9 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.757 -0.157 25675 3845 1 9 . 1 1 8 8 HIS C C 8 174.200 174.200 174.048 0.152 25675 3846 1 9 . 1 1 8 8 HIS CA C 8 55.268 55.268 55.105 0.163 25675 3847 1 9 . 1 1 8 8 HIS CB C 8 29.300 29.300 31.199 -1.899 25675 3848 1 9 . 1 1 8 8 HIS H H 8 8.777 8.777 8.126 0.651 25675 3849 1 9 . 1 1 9 9 HIS N N 9 121.131 121.131 121.336 -0.205 25675 3850 1 9 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.729 -0.149 25675 3851 1 9 . 1 1 9 9 HIS C C 9 173.990 173.990 175.040 -1.050 25675 3852 1 9 . 1 1 9 9 HIS CA C 9 55.000 55.000 55.236 -0.236 25675 3853 1 9 . 1 1 9 9 HIS CB C 9 29.400 29.400 31.164 -1.764 25675 3854 1 9 . 1 1 9 9 HIS H H 9 8.785 8.785 8.589 0.196 25675 3855 1 9 . 1 1 10 10 HIS N N 10 121.437 121.437 120.189 1.248 25675 3856 1 9 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.710 -0.116 25675 3857 1 9 . 1 1 10 10 HIS C C 10 174.577 174.577 175.318 -0.741 25675 3858 1 9 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.968 -0.700 25675 3859 1 9 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.703 -1.803 25675 3860 1 9 . 1 1 10 10 HIS H H 10 8.769 8.769 8.762 0.007 25675 3861 1 9 . 1 1 11 11 GLY N N 11 111.579 111.579 108.888 2.691 25675 3862 1 9 . 1 1 11 11 GLY C C 11 174.184 174.184 173.149 1.035 25675 3863 1 9 . 1 1 11 11 GLY CA C 11 45.340 45.340 45.078 0.262 25675 3864 1 9 . 1 1 11 11 GLY H H 11 8.559 8.559 8.284 0.275 25675 3865 1 9 . 1 1 12 12 SER N N 12 115.987 115.987 119.183 -3.196 25675 3866 1 9 . 1 1 12 12 SER HA H 12 4.407 4.407 4.640 -0.233 25675 3867 1 9 . 1 1 12 12 SER C C 12 174.817 174.817 174.912 -0.095 25675 3868 1 9 . 1 1 12 12 SER CA C 12 58.529 58.529 57.518 1.011 25675 3869 1 9 . 1 1 12 12 SER CB C 12 63.780 63.780 65.347 -1.567 25675 3870 1 9 . 1 1 12 12 SER H H 12 8.353 8.353 8.183 0.170 25675 3871 1 9 . 1 1 13 13 MET N N 13 121.805 121.805 121.240 0.565 25675 3872 1 9 . 1 1 13 13 MET HA H 13 4.521 4.521 4.576 -0.055 25675 3873 1 9 . 1 1 13 13 MET C C 13 176.003 176.003 175.621 0.382 25675 3874 1 9 . 1 1 13 13 MET CA C 13 55.503 55.503 56.311 -0.808 25675 3875 1 9 . 1 1 13 13 MET CB C 13 32.843 32.843 33.199 -0.356 25675 3876 1 9 . 1 1 13 13 MET H H 13 8.432 8.432 8.162 0.270 25675 3877 1 9 . 1 1 14 14 SER N N 14 116.515 116.515 114.774 1.741 25675 3878 1 9 . 1 1 14 14 SER HA H 14 4.265 4.265 4.733 -0.468 25675 3879 1 9 . 1 1 14 14 SER C C 14 174.055 174.055 173.389 0.666 25675 3880 1 9 . 1 1 14 14 SER H H 14 8.205 8.205 8.162 0.043 25675 3881 1 9 . 1 1 15 15 GLU N N 15 122.455 122.455 123.078 -0.623 25675 3882 1 9 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.584 -0.349 25675 3883 1 9 . 1 1 15 15 GLU C C 15 174.900 174.900 175.019 -0.119 25675 3884 1 9 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.825 -0.197 25675 3885 1 9 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.550 -1.325 25675 3886 1 9 . 1 1 15 15 GLU H H 15 8.292 8.292 8.821 -0.529 25675 3887 1 9 . 1 1 16 16 TYR N N 16 118.896 118.896 114.605 4.291 25675 3888 1 9 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.978 0.083 25675 3889 1 9 . 1 1 16 16 TYR C C 16 174.935 174.935 174.272 0.663 25675 3890 1 9 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.945 0.767 25675 3891 1 9 . 1 1 16 16 TYR CB C 16 41.507 41.507 41.583 -0.076 25675 3892 1 9 . 1 1 16 16 TYR H H 16 7.955 7.955 7.807 0.148 25675 3893 1 9 . 1 1 17 17 ILE N N 17 115.711 115.711 121.573 -5.862 25675 3894 1 9 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.391 0.158 25675 3895 1 9 . 1 1 17 17 ILE C C 17 174.747 174.747 173.986 0.761 25675 3896 1 9 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.764 -0.322 25675 3897 1 9 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.226 0.633 25675 3898 1 9 . 1 1 17 17 ILE H H 17 8.890 8.890 8.034 0.856 25675 3899 1 9 . 1 1 18 18 ARG N N 18 123.175 123.175 129.464 -6.289 25675 3900 1 9 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.425 -0.545 25675 3901 1 9 . 1 1 18 18 ARG C C 18 174.988 174.988 174.959 0.029 25675 3902 1 9 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.226 1.618 25675 3903 1 9 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.366 0.363 25675 3904 1 9 . 1 1 18 18 ARG H H 18 8.636 8.636 8.402 0.234 25675 3905 1 9 . 1 1 19 19 VAL N N 19 122.554 122.554 120.520 2.034 25675 3906 1 9 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.688 -0.224 25675 3907 1 9 . 1 1 19 19 VAL C C 19 173.984 173.984 174.993 -1.009 25675 3908 1 9 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.237 0.657 25675 3909 1 9 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.474 0.235 25675 3910 1 9 . 1 1 19 19 VAL H H 19 8.916 8.916 8.294 0.622 25675 3911 1 9 . 1 1 20 20 THR N N 20 118.638 118.638 115.924 2.714 25675 3912 1 9 . 1 1 20 20 THR HA H 20 5.081 5.081 4.918 0.163 25675 3913 1 9 . 1 1 20 20 THR C C 20 172.312 172.312 174.842 -2.530 25675 3914 1 9 . 1 1 20 20 THR CA C 20 57.731 57.731 59.703 -1.972 25675 3915 1 9 . 1 1 20 20 THR CB C 20 71.835 71.835 71.235 0.600 25675 3916 1 9 . 1 1 20 20 THR H H 20 8.794 8.794 8.116 0.678 25675 3917 1 9 . 1 1 21 21 GLU N N 21 124.307 124.307 123.565 0.742 25675 3918 1 9 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.323 0.851 25675 3919 1 9 . 1 1 21 21 GLU C C 21 175.258 175.258 176.188 -0.930 25675 3920 1 9 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.522 -2.622 25675 3921 1 9 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.242 -1.290 25675 3922 1 9 . 1 1 21 21 GLU H H 21 8.792 8.792 8.832 -0.040 25675 3923 1 9 . 1 1 22 22 ASP N N 22 117.282 117.282 115.865 1.417 25675 3924 1 9 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.707 -0.103 25675 3925 1 9 . 1 1 22 22 ASP C C 22 175.387 175.387 175.691 -0.304 25675 3926 1 9 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.135 0.330 25675 3927 1 9 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.160 -0.285 25675 3928 1 9 . 1 1 22 22 ASP H H 22 7.932 7.932 7.450 0.482 25675 3929 1 9 . 1 1 23 23 GLU N N 23 123.785 123.785 118.613 5.172 25675 3930 1 9 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.107 -0.170 25675 3931 1 9 . 1 1 23 23 GLU C C 23 176.062 176.062 177.102 -1.040 25675 3932 1 9 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.166 1.276 25675 3933 1 9 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.859 -0.423 25675 3934 1 9 . 1 1 23 23 GLU H H 23 9.232 9.232 8.477 0.755 25675 3935 1 9 . 1 1 24 24 ASN N N 24 115.807 115.807 118.074 -2.267 25675 3936 1 9 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.587 0.101 25675 3937 1 9 . 1 1 24 24 ASN C C 24 174.636 174.636 175.488 -0.852 25675 3938 1 9 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.633 -0.735 25675 3939 1 9 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.456 0.447 25675 3940 1 9 . 1 1 24 24 ASN H H 24 8.694 8.694 8.245 0.449 25675 3941 1 9 . 1 1 25 25 ASP N N 25 119.629 119.629 118.253 1.376 25675 3942 1 9 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.795 0.160 25675 3943 1 9 . 1 1 25 25 ASP C C 25 175.269 175.269 174.983 0.286 25675 3944 1 9 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.024 -0.834 25675 3945 1 9 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.709 -1.917 25675 3946 1 9 . 1 1 25 25 ASP H H 25 7.987 7.987 8.224 -0.237 25675 3947 1 9 . 1 1 26 26 GLU N N 26 123.692 123.692 118.018 5.674 25675 3948 1 9 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.663 -0.141 25675 3949 1 9 . 1 1 26 26 GLU CA C 26 54.120 54.120 53.748 0.372 25675 3950 1 9 . 1 1 26 26 GLU CB C 26 28.899 28.899 30.723 -1.823 25675 3951 1 9 . 1 1 26 26 GLU H H 26 8.718 8.718 8.388 0.330 25675 3952 1 9 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.517 0.212 25675 3953 1 9 . 1 1 27 27 PRO C C 27 176.126 176.126 175.409 0.717 25675 3954 1 9 . 1 1 27 27 PRO CA C 27 62.351 62.351 63.011 -0.660 25675 3955 1 9 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.905 1.614 25675 3956 1 9 . 1 1 28 28 ILE N N 28 118.646 118.646 124.459 -5.813 25675 3957 1 9 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.368 0.106 25675 3958 1 9 . 1 1 28 28 ILE C C 28 175.181 175.181 173.934 1.247 25675 3959 1 9 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.025 0.423 25675 3960 1 9 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.719 -0.093 25675 3961 1 9 . 1 1 28 28 ILE H H 28 9.244 9.244 7.928 1.316 25675 3962 1 9 . 1 1 29 29 GLU N N 29 120.763 120.763 127.791 -7.028 25675 3963 1 9 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.009 -0.104 25675 3964 1 9 . 1 1 29 29 GLU C C 29 175.739 175.739 175.635 0.104 25675 3965 1 9 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.970 0.318 25675 3966 1 9 . 1 1 29 29 GLU CB C 29 29.040 29.040 29.987 -0.947 25675 3967 1 9 . 1 1 29 29 GLU H H 29 8.220 8.220 8.404 -0.184 25675 3968 1 9 . 1 1 30 30 ILE N N 30 124.950 124.950 119.121 5.829 25675 3969 1 9 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.762 -0.016 25675 3970 1 9 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.471 -1.756 25675 3971 1 9 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.874 -1.021 25675 3972 1 9 . 1 1 30 30 ILE H H 30 9.307 9.307 8.490 0.817 25675 3973 1 9 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.598 -0.215 25675 3974 1 9 . 1 1 31 31 PRO C C 31 175.768 175.768 176.331 -0.563 25675 3975 1 9 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.828 -0.046 25675 3976 1 9 . 1 1 31 31 PRO CB C 31 32.367 32.367 31.942 0.425 25675 3977 1 9 . 1 1 32 32 SER N N 32 114.522 114.522 117.638 -3.116 25675 3978 1 9 . 1 1 32 32 SER HA H 32 4.567 4.567 4.725 -0.158 25675 3979 1 9 . 1 1 32 32 SER C C 32 175.170 175.170 173.871 1.299 25675 3980 1 9 . 1 1 32 32 SER CA C 32 56.211 56.211 56.287 -0.076 25675 3981 1 9 . 1 1 32 32 SER CB C 32 65.701 65.701 66.306 -0.605 25675 3982 1 9 . 1 1 32 32 SER H H 32 7.835 7.835 8.173 -0.338 25675 3983 1 9 . 1 1 33 33 GLU N N 33 118.001 118.001 121.523 -3.522 25675 3984 1 9 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.362 -0.069 25675 3985 1 9 . 1 1 33 33 GLU C C 33 178.843 178.843 178.157 0.686 25675 3986 1 9 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.455 -0.862 25675 3987 1 9 . 1 1 33 33 GLU H H 33 9.229 9.229 8.569 0.660 25675 3988 1 9 . 1 1 34 34 ASP N N 34 122.097 122.097 123.273 -1.176 25675 3989 1 9 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.443 -0.171 25675 3990 1 9 . 1 1 34 34 ASP C C 34 175.680 175.680 177.220 -1.540 25675 3991 1 9 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.850 0.112 25675 3992 1 9 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.506 -0.420 25675 3993 1 9 . 1 1 34 34 ASP H H 34 9.067 9.067 8.916 0.151 25675 3994 1 9 . 1 1 35 35 ASP N N 35 115.678 115.678 119.954 -4.276 25675 3995 1 9 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.535 -0.040 25675 3996 1 9 . 1 1 35 35 ASP C C 35 177.470 177.470 177.060 0.410 25675 3997 1 9 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.440 -2.524 25675 3998 1 9 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.977 -1.164 25675 3999 1 9 . 1 1 35 35 ASP H H 35 7.701 7.701 8.385 -0.684 25675 4000 1 9 . 1 1 36 36 GLY N N 36 107.781 107.781 106.135 1.646 25675 4001 1 9 . 1 1 36 36 GLY C C 36 175.387 175.387 174.113 1.274 25675 4002 1 9 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.081 0.445 25675 4003 1 9 . 1 1 36 36 GLY H H 36 8.211 8.211 7.822 0.389 25675 4004 1 9 . 1 1 37 37 THR N N 37 113.224 113.224 112.406 0.818 25675 4005 1 9 . 1 1 37 37 THR HA H 37 4.787 4.787 5.005 -0.218 25675 4006 1 9 . 1 1 37 37 THR C C 37 175.874 175.874 173.816 2.058 25675 4007 1 9 . 1 1 37 37 THR CA C 37 61.569 61.569 61.958 -0.389 25675 4008 1 9 . 1 1 37 37 THR CB C 37 71.292 71.292 71.169 0.123 25675 4009 1 9 . 1 1 37 37 THR H H 37 7.890 7.890 7.742 0.148 25675 4010 1 9 . 1 1 38 38 VAL N N 38 117.698 117.698 120.253 -2.555 25675 4011 1 9 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.491 -0.144 25675 4012 1 9 . 1 1 38 38 VAL C C 38 175.187 175.187 174.693 0.494 25675 4013 1 9 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.077 -0.040 25675 4014 1 9 . 1 1 38 38 VAL CB C 38 35.474 35.474 34.922 0.552 25675 4015 1 9 . 1 1 38 38 VAL H H 38 8.382 8.382 8.406 -0.024 25675 4016 1 9 . 1 1 39 39 LEU N N 39 126.182 126.182 128.028 -1.846 25675 4017 1 9 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.248 0.251 25675 4018 1 9 . 1 1 39 39 LEU C C 39 178.655 178.655 178.023 0.632 25675 4019 1 9 . 1 1 39 39 LEU CA C 39 54.994 54.994 54.958 0.036 25675 4020 1 9 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.460 -1.800 25675 4021 1 9 . 1 1 39 39 LEU H H 39 8.516 8.516 8.675 -0.159 25675 4022 1 9 . 1 1 40 40 LEU N N 40 125.652 125.652 124.472 1.180 25675 4023 1 9 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.015 -0.042 25675 4024 1 9 . 1 1 40 40 LEU C C 40 178.620 178.620 178.703 -0.083 25675 4025 1 9 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.714 0.542 25675 4026 1 9 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.943 -0.945 25675 4027 1 9 . 1 1 40 40 LEU H H 40 8.666 8.666 8.848 -0.182 25675 4028 1 9 . 1 1 41 41 SER N N 41 112.797 112.797 114.070 -1.273 25675 4029 1 9 . 1 1 41 41 SER HA H 41 4.359 4.359 4.265 0.094 25675 4030 1 9 . 1 1 41 41 SER C C 41 176.760 176.760 176.969 -0.209 25675 4031 1 9 . 1 1 41 41 SER CA C 41 60.390 60.390 61.812 -1.422 25675 4032 1 9 . 1 1 41 41 SER CB C 41 62.032 62.032 62.888 -0.856 25675 4033 1 9 . 1 1 41 41 SER H H 41 8.758 8.758 8.391 0.367 25675 4034 1 9 . 1 1 42 42 THR N N 42 121.066 121.066 119.318 1.748 25675 4035 1 9 . 1 1 42 42 THR HA H 42 3.993 3.993 4.147 -0.154 25675 4036 1 9 . 1 1 42 42 THR C C 42 176.226 176.226 175.823 0.403 25675 4037 1 9 . 1 1 42 42 THR CA C 42 65.206 65.206 65.014 0.192 25675 4038 1 9 . 1 1 42 42 THR CB C 42 67.912 67.912 68.475 -0.563 25675 4039 1 9 . 1 1 42 42 THR H H 42 7.461 7.461 7.599 -0.138 25675 4040 1 9 . 1 1 43 43 VAL N N 43 120.996 120.996 121.016 -0.020 25675 4041 1 9 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.696 -0.102 25675 4042 1 9 . 1 1 43 43 VAL C C 43 178.796 178.796 177.332 1.464 25675 4043 1 9 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.605 0.203 25675 4044 1 9 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.857 -0.017 25675 4045 1 9 . 1 1 43 43 VAL H H 43 7.288 7.288 7.374 -0.086 25675 4046 1 9 . 1 1 44 44 THR N N 44 113.305 113.305 110.746 2.559 25675 4047 1 9 . 1 1 44 44 THR HA H 44 4.202 4.202 4.398 -0.196 25675 4048 1 9 . 1 1 44 44 THR C C 44 176.337 176.337 175.421 0.916 25675 4049 1 9 . 1 1 44 44 THR CA C 44 64.358 64.358 64.412 -0.054 25675 4050 1 9 . 1 1 44 44 THR CB C 44 68.969 68.969 68.900 0.069 25675 4051 1 9 . 1 1 44 44 THR H H 44 9.189 9.189 7.702 1.487 25675 4052 1 9 . 1 1 45 45 ALA N N 45 121.618 121.618 123.931 -2.313 25675 4053 1 9 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.126 -0.077 25675 4054 1 9 . 1 1 45 45 ALA C C 45 178.685 178.685 178.764 -0.079 25675 4055 1 9 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.434 0.192 25675 4056 1 9 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.850 -0.573 25675 4057 1 9 . 1 1 45 45 ALA H H 45 7.274 7.274 7.315 -0.041 25675 4058 1 9 . 1 1 46 46 GLN N N 46 112.595 112.595 113.950 -1.355 25675 4059 1 9 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.260 -0.130 25675 4060 1 9 . 1 1 46 46 GLN C C 46 174.823 174.823 175.364 -0.541 25675 4061 1 9 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.670 -0.420 25675 4062 1 9 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.473 -0.553 25675 4063 1 9 . 1 1 46 46 GLN H H 46 6.860 6.860 7.625 -0.765 25675 4064 1 9 . 1 1 47 47 PHE N N 47 118.197 118.197 118.854 -0.657 25675 4065 1 9 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.051 -0.086 25675 4066 1 9 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.928 0.813 25675 4067 1 9 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.435 0.179 25675 4068 1 9 . 1 1 47 47 PHE H H 47 8.344 8.344 7.637 0.707 25675 4069 1 9 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.511 -0.071 25675 4070 1 9 . 1 1 48 48 PRO C C 48 178.626 178.626 177.912 0.714 25675 4071 1 9 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.757 0.583 25675 4072 1 9 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.804 -0.358 25675 4073 1 9 . 1 1 49 49 GLY N N 49 111.697 111.697 111.824 -0.127 25675 4074 1 9 . 1 1 49 49 GLY C C 49 174.307 174.307 174.402 -0.095 25675 4075 1 9 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.904 -0.143 25675 4076 1 9 . 1 1 49 49 GLY H H 49 8.849 8.849 8.846 0.003 25675 4077 1 9 . 1 1 50 50 ALA N N 50 122.602 122.602 122.931 -0.329 25675 4078 1 9 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.240 -0.412 25675 4079 1 9 . 1 1 50 50 ALA C C 50 177.534 177.534 176.442 1.092 25675 4080 1 9 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.667 0.739 25675 4081 1 9 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.196 2.194 25675 4082 1 9 . 1 1 50 50 ALA H H 50 8.032 8.032 7.653 0.379 25675 4083 1 9 . 1 1 51 51 CYS N N 51 114.410 114.410 123.273 -8.863 25675 4084 1 9 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.530 0.015 25675 4085 1 9 . 1 1 51 51 CYS C C 51 174.248 174.248 174.776 -0.528 25675 4086 1 9 . 1 1 51 51 CYS CA C 51 57.407 57.407 58.840 -1.433 25675 4087 1 9 . 1 1 51 51 CYS CB C 51 29.813 29.813 28.982 0.831 25675 4088 1 9 . 1 1 51 51 CYS H H 51 9.094 9.094 8.358 0.736 25675 4089 1 9 . 1 1 52 52 GLY N N 52 106.620 106.620 107.928 -1.308 25675 4090 1 9 . 1 1 52 52 GLY C C 52 170.769 170.769 172.057 -1.288 25675 4091 1 9 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.410 0.551 25675 4092 1 9 . 1 1 52 52 GLY H H 52 7.467 7.467 8.149 -0.682 25675 4093 1 9 . 1 1 53 53 LEU N N 53 117.961 117.961 122.804 -4.843 25675 4094 1 9 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.526 -0.181 25675 4095 1 9 . 1 1 53 53 LEU C C 53 175.563 175.563 176.166 -0.603 25675 4096 1 9 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.588 1.064 25675 4097 1 9 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.842 4.743 25675 4098 1 9 . 1 1 53 53 LEU H H 53 8.900 8.900 8.389 0.511 25675 4099 1 9 . 1 1 54 54 ARG N N 54 119.739 119.739 121.417 -1.678 25675 4100 1 9 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.426 1.185 25675 4101 1 9 . 1 1 54 54 ARG C C 54 173.638 173.638 174.519 -0.881 25675 4102 1 9 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.340 0.107 25675 4103 1 9 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.108 0.430 25675 4104 1 9 . 1 1 54 54 ARG H H 54 9.493 9.493 8.501 0.992 25675 4105 1 9 . 1 1 55 55 TYR N N 55 115.879 115.879 118.601 -2.722 25675 4106 1 9 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.755 0.033 25675 4107 1 9 . 1 1 55 55 TYR C C 55 172.417 172.417 174.551 -2.134 25675 4108 1 9 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.886 -1.893 25675 4109 1 9 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.321 0.779 25675 4110 1 9 . 1 1 55 55 TYR H H 55 8.972 8.972 8.310 0.662 25675 4111 1 9 . 1 1 56 56 ARG N N 56 121.380 121.380 124.076 -2.696 25675 4112 1 9 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.779 -0.496 25675 4113 1 9 . 1 1 56 56 ARG C C 56 175.598 175.598 174.129 1.469 25675 4114 1 9 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.419 0.749 25675 4115 1 9 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.064 -1.311 25675 4116 1 9 . 1 1 56 56 ARG H H 56 8.883 8.883 8.771 0.112 25675 4117 1 9 . 1 1 57 57 ASN N N 57 127.980 127.980 125.698 2.282 25675 4118 1 9 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.277 -0.469 25675 4119 1 9 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.312 0.943 25675 4120 1 9 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.098 -1.357 25675 4121 1 9 . 1 1 57 57 ASN H H 57 8.428 8.428 8.642 -0.214 25675 4122 1 9 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.406 -0.113 25675 4123 1 9 . 1 1 58 58 PRO C C 58 177.241 177.241 177.016 0.225 25675 4124 1 9 . 1 1 58 58 PRO CA C 58 64.592 64.592 65.072 -0.480 25675 4125 1 9 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.816 0.472 25675 4126 1 9 . 1 1 59 59 VAL N N 59 117.104 117.104 115.195 1.909 25675 4127 1 9 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.172 -0.263 25675 4128 1 9 . 1 1 59 59 VAL C C 59 177.077 177.077 176.677 0.400 25675 4129 1 9 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.437 0.285 25675 4130 1 9 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.596 0.365 25675 4131 1 9 . 1 1 59 59 VAL H H 59 7.965 7.965 7.885 0.080 25675 4132 1 9 . 1 1 60 60 SER N N 60 113.119 113.119 114.181 -1.062 25675 4133 1 9 . 1 1 60 60 SER HA H 60 4.427 4.427 4.414 0.013 25675 4134 1 9 . 1 1 60 60 SER C C 60 175.252 175.252 174.070 1.182 25675 4135 1 9 . 1 1 60 60 SER CA C 60 58.314 58.314 58.774 -0.460 25675 4136 1 9 . 1 1 60 60 SER CB C 60 65.134 65.134 63.562 1.572 25675 4137 1 9 . 1 1 60 60 SER H H 60 7.691 7.691 7.648 0.043 25675 4138 1 9 . 1 1 61 61 GLN N N 61 115.138 115.138 115.989 -0.851 25675 4139 1 9 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.972 -0.112 25675 4140 1 9 . 1 1 61 61 GLN C C 61 174.882 174.882 175.253 -0.371 25675 4141 1 9 . 1 1 61 61 GLN CA C 61 57.336 57.336 56.865 0.471 25675 4142 1 9 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.517 -0.517 25675 4143 1 9 . 1 1 61 61 GLN H H 61 8.309 8.309 8.178 0.131 25675 4144 1 9 . 1 1 62 62 CYS N N 62 116.568 116.568 116.911 -0.343 25675 4145 1 9 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.564 -0.032 25675 4146 1 9 . 1 1 62 62 CYS C C 62 174.242 174.242 175.073 -0.831 25675 4147 1 9 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.448 -0.364 25675 4148 1 9 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.472 -0.216 25675 4149 1 9 . 1 1 62 62 CYS H H 62 7.664 7.664 8.236 -0.572 25675 4150 1 9 . 1 1 63 63 MET N N 63 122.627 122.627 120.436 2.191 25675 4151 1 9 . 1 1 63 63 MET HA H 63 4.095 4.095 4.683 -0.588 25675 4152 1 9 . 1 1 63 63 MET C C 63 176.437 176.437 175.647 0.790 25675 4153 1 9 . 1 1 63 63 MET CA C 63 54.992 54.992 54.585 0.407 25675 4154 1 9 . 1 1 63 63 MET CB C 63 32.828 32.828 33.215 -0.388 25675 4155 1 9 . 1 1 63 63 MET H H 63 8.733 8.733 8.470 0.263 25675 4156 1 9 . 1 1 64 64 ARG N N 64 124.300 124.300 120.329 3.971 25675 4157 1 9 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.345 0.122 25675 4158 1 9 . 1 1 64 64 ARG C C 64 174.618 174.618 176.016 -1.398 25675 4159 1 9 . 1 1 64 64 ARG CA C 64 53.788 53.788 56.977 -3.189 25675 4160 1 9 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.512 2.023 25675 4161 1 9 . 1 1 64 64 ARG H H 64 8.995 8.995 8.011 0.984 25675 4162 1 9 . 1 1 65 65 GLY N N 65 122.716 122.716 106.532 16.184 25675 4163 1 9 . 1 1 65 65 GLY C C 65 174.589 174.589 173.255 1.334 25675 4164 1 9 . 1 1 65 65 GLY H H 65 8.474 8.474 8.283 0.191 25675 4165 1 9 . 1 1 66 66 VAL N N 66 124.050 124.050 120.962 3.088 25675 4166 1 9 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.613 0.582 25675 4167 1 9 . 1 1 66 66 VAL C C 66 176.220 176.220 175.368 0.852 25675 4168 1 9 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.324 -0.847 25675 4169 1 9 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.313 0.363 25675 4170 1 9 . 1 1 66 66 VAL H H 66 8.313 8.313 7.809 0.504 25675 4171 1 9 . 1 1 67 67 ARG N N 67 131.490 131.490 128.066 3.424 25675 4172 1 9 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.531 -0.483 25675 4173 1 9 . 1 1 67 67 ARG C C 67 173.497 173.497 174.136 -0.639 25675 4174 1 9 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.965 3.411 25675 4175 1 9 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.469 -0.537 25675 4176 1 9 . 1 1 67 67 ARG H H 67 9.314 9.314 7.907 1.407 25675 4177 1 9 . 1 1 68 68 LEU N N 68 130.230 130.230 127.411 2.819 25675 4178 1 9 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.625 0.579 25675 4179 1 9 . 1 1 68 68 LEU C C 68 175.950 175.950 174.833 1.117 25675 4180 1 9 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.001 -0.187 25675 4181 1 9 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.243 0.850 25675 4182 1 9 . 1 1 68 68 LEU H H 68 8.299 8.299 8.640 -0.341 25675 4183 1 9 . 1 1 69 69 VAL N N 69 127.090 127.090 127.552 -0.462 25675 4184 1 9 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.408 -0.081 25675 4185 1 9 . 1 1 69 69 VAL C C 69 176.155 176.155 175.172 0.983 25675 4186 1 9 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.101 0.253 25675 4187 1 9 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.372 0.733 25675 4188 1 9 . 1 1 69 69 VAL H H 69 9.044 9.044 8.584 0.460 25675 4189 1 9 . 1 1 70 70 GLU N N 70 128.672 128.672 125.802 2.870 25675 4190 1 9 . 1 1 70 70 GLU HA H 70 3.916 3.916 4.023 -0.107 25675 4191 1 9 . 1 1 70 70 GLU C C 70 175.891 175.891 176.495 -0.604 25675 4192 1 9 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.279 -0.448 25675 4193 1 9 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.806 -0.616 25675 4194 1 9 . 1 1 70 70 GLU H H 70 9.646 9.646 9.264 0.382 25675 4195 1 9 . 1 1 71 71 GLY N N 71 117.967 117.967 101.793 16.174 25675 4196 1 9 . 1 1 71 71 GLY C C 71 173.327 173.327 173.758 -0.431 25675 4197 1 9 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.373 0.675 25675 4198 1 9 . 1 1 71 71 GLY H H 71 8.417 8.417 8.227 0.190 25675 4199 1 9 . 1 1 72 72 ILE N N 72 123.402 123.402 123.169 0.233 25675 4200 1 9 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.316 -0.079 25675 4201 1 9 . 1 1 72 72 ILE C C 72 174.882 174.882 175.890 -1.008 25675 4202 1 9 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.963 -0.535 25675 4203 1 9 . 1 1 72 72 ILE CB C 72 38.851 38.851 38.102 0.749 25675 4204 1 9 . 1 1 72 72 ILE H H 72 8.124 8.124 7.732 0.392 25675 4205 1 9 . 1 1 73 73 LEU N N 73 129.380 129.380 129.817 -0.437 25675 4206 1 9 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.978 0.221 25675 4207 1 9 . 1 1 73 73 LEU C C 73 175.932 175.932 176.965 -1.033 25675 4208 1 9 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.777 0.468 25675 4209 1 9 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.033 1.849 25675 4210 1 9 . 1 1 73 73 LEU H H 73 9.353 9.353 8.772 0.581 25675 4211 1 9 . 1 1 74 74 HIS N N 74 120.040 120.040 126.792 -6.752 25675 4212 1 9 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.737 -0.126 25675 4213 1 9 . 1 1 74 74 HIS C C 74 172.371 172.371 173.116 -0.745 25675 4214 1 9 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.671 -0.846 25675 4215 1 9 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.305 -1.454 25675 4216 1 9 . 1 1 74 74 HIS H H 74 8.541 8.541 9.046 -0.505 25675 4217 1 9 . 1 1 75 75 ALA N N 75 125.980 125.980 129.190 -3.210 25675 4218 1 9 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.784 -2.035 25675 4219 1 9 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.821 1.116 25675 4220 1 9 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.616 -1.668 25675 4221 1 9 . 1 1 75 75 ALA H H 75 8.413 8.413 8.215 0.198 25675 4222 1 9 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.188 0.094 25675 4223 1 9 . 1 1 76 76 PRO C C 76 176.185 176.185 176.019 0.166 25675 4224 1 9 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.830 0.451 25675 4225 1 9 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.482 -0.210 25675 4226 1 9 . 1 1 77 77 ASP N N 77 122.297 122.297 116.763 5.534 25675 4227 1 9 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.398 -0.308 25675 4228 1 9 . 1 1 77 77 ASP C C 77 176.977 176.977 176.858 0.119 25675 4229 1 9 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.141 2.363 25675 4230 1 9 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.473 -0.563 25675 4231 1 9 . 1 1 77 77 ASP H H 77 8.454 8.454 8.295 0.159 25675 4232 1 9 . 1 1 78 78 ALA N N 78 118.586 118.586 120.891 -2.305 25675 4233 1 9 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.361 -0.112 25675 4234 1 9 . 1 1 78 78 ALA C C 78 177.458 177.458 177.403 0.055 25675 4235 1 9 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.293 0.431 25675 4236 1 9 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.062 -1.316 25675 4237 1 9 . 1 1 78 78 ALA H H 78 8.032 8.032 7.622 0.410 25675 4238 1 9 . 1 1 79 79 GLY N N 79 107.830 107.830 105.205 2.625 25675 4239 1 9 . 1 1 79 79 GLY C C 79 172.928 172.928 174.302 -1.374 25675 4240 1 9 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.243 -0.902 25675 4241 1 9 . 1 1 79 79 GLY H H 79 7.902 7.902 7.266 0.636 25675 4242 1 9 . 1 1 80 80 TRP N N 80 119.474 119.474 123.433 -3.959 25675 4243 1 9 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.966 -0.431 25675 4244 1 9 . 1 1 80 80 TRP C C 80 180.190 180.190 177.558 2.632 25675 4245 1 9 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.051 0.619 25675 4246 1 9 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.448 0.638 25675 4247 1 9 . 1 1 80 80 TRP H H 80 8.389 8.389 8.549 -0.160 25675 4248 1 9 . 1 1 81 81 GLY N N 81 103.130 103.130 104.538 -1.408 25675 4249 1 9 . 1 1 81 81 GLY C C 81 174.110 174.110 172.819 1.291 25675 4250 1 9 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.748 1.131 25675 4251 1 9 . 1 1 81 81 GLY H H 81 8.519 8.519 8.486 0.033 25675 4252 1 9 . 1 1 82 82 ASN N N 82 120.652 120.652 119.031 1.621 25675 4253 1 9 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.430 -0.354 25675 4254 1 9 . 1 1 82 82 ASN C C 82 175.211 175.211 174.968 0.243 25675 4255 1 9 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.464 -0.479 25675 4256 1 9 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.771 -0.114 25675 4257 1 9 . 1 1 82 82 ASN H H 82 8.800 8.800 8.568 0.232 25675 4258 1 9 . 1 1 83 83 LEU N N 83 118.129 118.129 116.066 2.063 25675 4259 1 9 . 1 1 83 83 LEU HA H 83 4.129 4.129 5.051 -0.922 25675 4260 1 9 . 1 1 83 83 LEU C C 83 174.442 174.442 175.942 -1.500 25675 4261 1 9 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.106 1.693 25675 4262 1 9 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.803 -0.946 25675 4263 1 9 . 1 1 83 83 LEU H H 83 6.883 6.883 7.639 -0.756 25675 4264 1 9 . 1 1 84 84 VAL N N 84 118.316 118.316 117.026 1.290 25675 4265 1 9 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.250 -0.195 25675 4266 1 9 . 1 1 84 84 VAL C C 84 174.630 174.630 174.773 -0.143 25675 4267 1 9 . 1 1 84 84 VAL CA C 84 62.443 62.443 62.168 0.275 25675 4268 1 9 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.732 -0.774 25675 4269 1 9 . 1 1 84 84 VAL H H 84 7.835 7.835 7.846 -0.011 25675 4270 1 9 . 1 1 85 85 TYR N N 85 128.110 128.110 123.304 4.806 25675 4271 1 9 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.416 -0.719 25675 4272 1 9 . 1 1 85 85 TYR C C 85 174.313 174.313 173.838 0.475 25675 4273 1 9 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.576 3.545 25675 4274 1 9 . 1 1 85 85 TYR CB C 85 40.540 40.540 41.286 -0.746 25675 4275 1 9 . 1 1 85 85 TYR H H 85 8.886 8.886 9.011 -0.125 25675 4276 1 9 . 1 1 86 86 VAL N N 86 122.593 122.593 122.387 0.206 25675 4277 1 9 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.952 0.803 25675 4278 1 9 . 1 1 86 86 VAL C C 86 176.531 176.531 175.731 0.800 25675 4279 1 9 . 1 1 86 86 VAL CA C 86 59.999 59.999 61.140 -1.141 25675 4280 1 9 . 1 1 86 86 VAL CB C 86 33.419 33.419 33.374 0.045 25675 4281 1 9 . 1 1 86 86 VAL H H 86 9.473 9.473 7.776 1.697 25675 4282 1 9 . 1 1 87 87 VAL N N 87 124.298 124.298 126.611 -2.313 25675 4283 1 9 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.411 -0.624 25675 4284 1 9 . 1 1 87 87 VAL C C 87 174.735 174.735 175.153 -0.418 25675 4285 1 9 . 1 1 87 87 VAL CA C 87 63.726 63.726 61.858 1.869 25675 4286 1 9 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.383 1.340 25675 4287 1 9 . 1 1 87 87 VAL H H 87 7.864 7.864 8.333 -0.469 25675 4288 1 9 . 1 1 88 88 ASN N N 88 123.146 123.146 125.123 -1.977 25675 4289 1 9 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.774 0.000 25675 4290 1 9 . 1 1 88 88 ASN C C 88 172.900 172.900 172.933 -0.033 25675 4291 1 9 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.110 -0.778 25675 4292 1 9 . 1 1 88 88 ASN CB C 88 40.773 40.773 41.197 -0.424 25675 4293 1 9 . 1 1 88 88 ASN H H 88 7.786 7.786 8.398 -0.612 25675 4294 1 10 . 1 1 3 3 GLY C C 3 173.761 173.761 173.355 0.406 25675 4295 1 10 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.268 -0.138 25675 4296 1 10 . 1 1 4 4 SER N N 4 115.011 115.011 119.845 -4.834 25675 4297 1 10 . 1 1 4 4 SER HA H 4 4.304 4.304 4.286 0.018 25675 4298 1 10 . 1 1 4 4 SER C C 4 174.600 174.600 174.218 0.382 25675 4299 1 10 . 1 1 4 4 SER CA C 4 57.900 57.900 58.722 -0.822 25675 4300 1 10 . 1 1 4 4 SER CB C 4 63.800 63.800 63.242 0.558 25675 4301 1 10 . 1 1 4 4 SER H H 4 8.185 8.185 8.265 -0.080 25675 4302 1 10 . 1 1 5 5 HIS N N 5 120.326 120.326 124.994 -4.668 25675 4303 1 10 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.796 -0.194 25675 4304 1 10 . 1 1 5 5 HIS C C 5 174.200 174.200 174.350 -0.150 25675 4305 1 10 . 1 1 5 5 HIS CA C 5 55.268 55.268 54.670 0.598 25675 4306 1 10 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.687 -1.687 25675 4307 1 10 . 1 1 5 5 HIS H H 5 8.641 8.641 8.315 0.326 25675 4308 1 10 . 1 1 6 6 HIS N N 6 119.478 119.478 122.322 -2.844 25675 4309 1 10 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.470 0.157 25675 4310 1 10 . 1 1 6 6 HIS C C 6 174.100 174.100 174.468 -0.368 25675 4311 1 10 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.634 -0.366 25675 4312 1 10 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.904 -1.603 25675 4313 1 10 . 1 1 6 6 HIS H H 6 8.555 8.555 8.695 -0.140 25675 4314 1 10 . 1 1 7 7 HIS N N 7 120.507 120.507 121.764 -1.257 25675 4315 1 10 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.704 -0.123 25675 4316 1 10 . 1 1 7 7 HIS C C 7 174.100 174.100 174.906 -0.806 25675 4317 1 10 . 1 1 7 7 HIS CA C 7 55.268 55.268 55.555 -0.287 25675 4318 1 10 . 1 1 7 7 HIS CB C 7 29.300 29.300 30.779 -1.479 25675 4319 1 10 . 1 1 7 7 HIS H H 7 8.777 8.777 8.543 0.234 25675 4320 1 10 . 1 1 8 8 HIS N N 8 120.616 120.616 123.204 -2.588 25675 4321 1 10 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.651 -0.051 25675 4322 1 10 . 1 1 8 8 HIS C C 8 174.200 174.200 175.870 -1.670 25675 4323 1 10 . 1 1 8 8 HIS CA C 8 55.268 55.268 56.185 -0.917 25675 4324 1 10 . 1 1 8 8 HIS CB C 8 29.300 29.300 31.093 -1.793 25675 4325 1 10 . 1 1 8 8 HIS H H 8 8.777 8.777 9.099 -0.322 25675 4326 1 10 . 1 1 9 9 HIS N N 9 121.131 121.131 116.730 4.401 25675 4327 1 10 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.295 0.285 25675 4328 1 10 . 1 1 9 9 HIS C C 9 173.990 173.990 173.986 0.004 25675 4329 1 10 . 1 1 9 9 HIS CA C 9 55.000 55.000 57.176 -2.176 25675 4330 1 10 . 1 1 9 9 HIS CB C 9 29.400 29.400 27.543 1.857 25675 4331 1 10 . 1 1 9 9 HIS H H 9 8.785 8.785 8.666 0.119 25675 4332 1 10 . 1 1 10 10 HIS N N 10 121.437 121.437 117.137 4.300 25675 4333 1 10 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.660 -0.066 25675 4334 1 10 . 1 1 10 10 HIS C C 10 174.577 174.577 173.981 0.596 25675 4335 1 10 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.303 -0.035 25675 4336 1 10 . 1 1 10 10 HIS CB C 10 28.900 28.900 33.717 -4.817 25675 4337 1 10 . 1 1 10 10 HIS H H 10 8.769 8.769 8.157 0.612 25675 4338 1 10 . 1 1 11 11 GLY N N 11 111.579 111.579 109.169 2.410 25675 4339 1 10 . 1 1 11 11 GLY C C 11 174.184 174.184 173.766 0.418 25675 4340 1 10 . 1 1 11 11 GLY CA C 11 45.340 45.340 45.632 -0.292 25675 4341 1 10 . 1 1 11 11 GLY H H 11 8.559 8.559 8.102 0.457 25675 4342 1 10 . 1 1 12 12 SER N N 12 115.987 115.987 118.127 -2.140 25675 4343 1 10 . 1 1 12 12 SER HA H 12 4.407 4.407 4.844 -0.437 25675 4344 1 10 . 1 1 12 12 SER C C 12 174.817 174.817 174.148 0.669 25675 4345 1 10 . 1 1 12 12 SER CA C 12 58.529 58.529 58.092 0.437 25675 4346 1 10 . 1 1 12 12 SER CB C 12 63.780 63.780 65.851 -2.071 25675 4347 1 10 . 1 1 12 12 SER H H 12 8.353 8.353 8.241 0.112 25675 4348 1 10 . 1 1 13 13 MET N N 13 121.805 121.805 121.120 0.685 25675 4349 1 10 . 1 1 13 13 MET HA H 13 4.521 4.521 4.806 -0.285 25675 4350 1 10 . 1 1 13 13 MET C C 13 176.003 176.003 177.017 -1.014 25675 4351 1 10 . 1 1 13 13 MET CA C 13 55.503 55.503 54.787 0.716 25675 4352 1 10 . 1 1 13 13 MET CB C 13 32.843 32.843 33.019 -0.176 25675 4353 1 10 . 1 1 13 13 MET H H 13 8.432 8.432 8.707 -0.275 25675 4354 1 10 . 1 1 14 14 SER N N 14 116.515 116.515 116.934 -0.419 25675 4355 1 10 . 1 1 14 14 SER HA H 14 4.265 4.265 4.369 -0.104 25675 4356 1 10 . 1 1 14 14 SER C C 14 174.055 174.055 175.161 -1.106 25675 4357 1 10 . 1 1 14 14 SER H H 14 8.205 8.205 8.258 -0.053 25675 4358 1 10 . 1 1 15 15 GLU N N 15 122.455 122.455 119.466 2.989 25675 4359 1 10 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.642 -0.407 25675 4360 1 10 . 1 1 15 15 GLU C C 15 174.900 174.900 175.009 -0.109 25675 4361 1 10 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.351 0.277 25675 4362 1 10 . 1 1 15 15 GLU CB C 15 30.225 30.225 32.417 -2.192 25675 4363 1 10 . 1 1 15 15 GLU H H 15 8.292 8.292 8.650 -0.358 25675 4364 1 10 . 1 1 16 16 TYR N N 16 118.896 118.896 119.933 -1.037 25675 4365 1 10 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.742 0.319 25675 4366 1 10 . 1 1 16 16 TYR C C 16 174.935 174.935 174.790 0.145 25675 4367 1 10 . 1 1 16 16 TYR CA C 16 56.712 56.712 56.764 -0.052 25675 4368 1 10 . 1 1 16 16 TYR CB C 16 41.507 41.507 39.587 1.920 25675 4369 1 10 . 1 1 16 16 TYR H H 16 7.955 7.955 8.099 -0.144 25675 4370 1 10 . 1 1 17 17 ILE N N 17 115.711 115.711 121.078 -5.367 25675 4371 1 10 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.389 0.160 25675 4372 1 10 . 1 1 17 17 ILE C C 17 174.747 174.747 174.092 0.655 25675 4373 1 10 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.899 -0.457 25675 4374 1 10 . 1 1 17 17 ILE CB C 17 40.859 40.859 39.848 1.011 25675 4375 1 10 . 1 1 17 17 ILE H H 17 8.890 8.890 7.838 1.052 25675 4376 1 10 . 1 1 18 18 ARG N N 18 123.175 123.175 129.046 -5.871 25675 4377 1 10 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.649 -0.769 25675 4378 1 10 . 1 1 18 18 ARG C C 18 174.988 174.988 174.941 0.047 25675 4379 1 10 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.269 1.575 25675 4380 1 10 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.722 0.008 25675 4381 1 10 . 1 1 18 18 ARG H H 18 8.636 8.636 8.364 0.272 25675 4382 1 10 . 1 1 19 19 VAL N N 19 122.554 122.554 120.398 2.156 25675 4383 1 10 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.660 -0.196 25675 4384 1 10 . 1 1 19 19 VAL C C 19 173.984 173.984 174.885 -0.901 25675 4385 1 10 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.293 0.601 25675 4386 1 10 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.509 0.200 25675 4387 1 10 . 1 1 19 19 VAL H H 19 8.916 8.916 8.139 0.777 25675 4388 1 10 . 1 1 20 20 THR N N 20 118.638 118.638 115.973 2.665 25675 4389 1 10 . 1 1 20 20 THR HA H 20 5.081 5.081 4.975 0.106 25675 4390 1 10 . 1 1 20 20 THR C C 20 172.312 172.312 174.714 -2.402 25675 4391 1 10 . 1 1 20 20 THR CA C 20 57.731 57.731 59.746 -2.015 25675 4392 1 10 . 1 1 20 20 THR CB C 20 71.835 71.835 71.421 0.414 25675 4393 1 10 . 1 1 20 20 THR H H 20 8.794 8.794 8.152 0.642 25675 4394 1 10 . 1 1 21 21 GLU N N 21 124.307 124.307 124.078 0.229 25675 4395 1 10 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.395 0.779 25675 4396 1 10 . 1 1 21 21 GLU C C 21 175.258 175.258 175.979 -0.721 25675 4397 1 10 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.252 -2.352 25675 4398 1 10 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.097 -1.145 25675 4399 1 10 . 1 1 21 21 GLU H H 21 8.792 8.792 8.914 -0.122 25675 4400 1 10 . 1 1 22 22 ASP N N 22 117.282 117.282 118.146 -0.864 25675 4401 1 10 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.794 -0.190 25675 4402 1 10 . 1 1 22 22 ASP C C 22 175.387 175.387 177.345 -1.958 25675 4403 1 10 . 1 1 22 22 ASP CA C 22 53.465 53.465 52.697 0.768 25675 4404 1 10 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.557 -0.682 25675 4405 1 10 . 1 1 22 22 ASP H H 22 7.932 7.932 7.547 0.385 25675 4406 1 10 . 1 1 23 23 GLU N N 23 123.785 123.785 122.543 1.242 25675 4407 1 10 . 1 1 23 23 GLU HA H 23 3.938 3.938 3.975 -0.037 25675 4408 1 10 . 1 1 23 23 GLU C C 23 176.062 176.062 176.352 -0.290 25675 4409 1 10 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.946 0.496 25675 4410 1 10 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.234 0.202 25675 4411 1 10 . 1 1 23 23 GLU H H 23 9.232 9.232 8.715 0.517 25675 4412 1 10 . 1 1 24 24 ASN N N 24 115.807 115.807 117.618 -1.811 25675 4413 1 10 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.698 -0.010 25675 4414 1 10 . 1 1 24 24 ASN C C 24 174.636 174.636 175.485 -0.849 25675 4415 1 10 . 1 1 24 24 ASN CA C 24 53.898 53.898 53.829 0.069 25675 4416 1 10 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.207 0.696 25675 4417 1 10 . 1 1 24 24 ASN H H 24 8.694 8.694 8.396 0.298 25675 4418 1 10 . 1 1 25 25 ASP N N 25 119.629 119.629 120.042 -0.413 25675 4419 1 10 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.772 0.183 25675 4420 1 10 . 1 1 25 25 ASP C C 25 175.269 175.269 175.026 0.243 25675 4421 1 10 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.723 -1.533 25675 4422 1 10 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.566 -1.774 25675 4423 1 10 . 1 1 25 25 ASP H H 25 7.987 7.987 7.510 0.477 25675 4424 1 10 . 1 1 26 26 GLU N N 26 123.692 123.692 118.860 4.832 25675 4425 1 10 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.537 -0.015 25675 4426 1 10 . 1 1 26 26 GLU CA C 26 54.120 54.120 54.481 -0.361 25675 4427 1 10 . 1 1 26 26 GLU CB C 26 28.899 28.899 30.116 -1.217 25675 4428 1 10 . 1 1 26 26 GLU H H 26 8.718 8.718 8.512 0.206 25675 4429 1 10 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.487 0.242 25675 4430 1 10 . 1 1 27 27 PRO C C 27 176.126 176.126 176.588 -0.462 25675 4431 1 10 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.893 -0.542 25675 4432 1 10 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.802 1.717 25675 4433 1 10 . 1 1 28 28 ILE N N 28 118.646 118.646 123.616 -4.970 25675 4434 1 10 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.383 0.091 25675 4435 1 10 . 1 1 28 28 ILE C C 28 175.181 175.181 174.876 0.305 25675 4436 1 10 . 1 1 28 28 ILE CA C 28 59.448 59.448 60.457 -1.009 25675 4437 1 10 . 1 1 28 28 ILE CB C 28 40.626 40.626 39.664 0.962 25675 4438 1 10 . 1 1 28 28 ILE H H 28 9.244 9.244 8.005 1.239 25675 4439 1 10 . 1 1 29 29 GLU N N 29 120.763 120.763 122.801 -2.038 25675 4440 1 10 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.392 -0.487 25675 4441 1 10 . 1 1 29 29 GLU C C 29 175.739 175.739 175.780 -0.041 25675 4442 1 10 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.854 0.434 25675 4443 1 10 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.785 -1.746 25675 4444 1 10 . 1 1 29 29 GLU H H 29 8.220 8.220 8.335 -0.115 25675 4445 1 10 . 1 1 30 30 ILE N N 30 124.950 124.950 118.170 6.780 25675 4446 1 10 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.787 -0.041 25675 4447 1 10 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.536 -1.822 25675 4448 1 10 . 1 1 30 30 ILE CB C 30 38.853 38.853 40.071 -1.218 25675 4449 1 10 . 1 1 30 30 ILE H H 30 9.307 9.307 8.146 1.161 25675 4450 1 10 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.653 -0.270 25675 4451 1 10 . 1 1 31 31 PRO C C 31 175.768 175.768 176.279 -0.511 25675 4452 1 10 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.926 -0.144 25675 4453 1 10 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.086 0.281 25675 4454 1 10 . 1 1 32 32 SER N N 32 114.522 114.522 116.504 -1.982 25675 4455 1 10 . 1 1 32 32 SER HA H 32 4.567 4.567 4.778 -0.211 25675 4456 1 10 . 1 1 32 32 SER C C 32 175.170 175.170 174.269 0.901 25675 4457 1 10 . 1 1 32 32 SER CA C 32 56.211 56.211 56.093 0.118 25675 4458 1 10 . 1 1 32 32 SER CB C 32 65.701 65.701 65.928 -0.227 25675 4459 1 10 . 1 1 32 32 SER H H 32 7.835 7.835 8.225 -0.390 25675 4460 1 10 . 1 1 33 33 GLU N N 33 118.001 118.001 120.080 -2.079 25675 4461 1 10 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.305 -0.012 25675 4462 1 10 . 1 1 33 33 GLU C C 33 178.843 178.843 178.070 0.773 25675 4463 1 10 . 1 1 33 33 GLU CB C 33 30.593 30.593 30.599 -0.006 25675 4464 1 10 . 1 1 33 33 GLU H H 33 9.229 9.229 8.467 0.762 25675 4465 1 10 . 1 1 34 34 ASP N N 34 122.097 122.097 118.721 3.376 25675 4466 1 10 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.446 -0.174 25675 4467 1 10 . 1 1 34 34 ASP C C 34 175.680 175.680 177.601 -1.921 25675 4468 1 10 . 1 1 34 34 ASP CA C 34 56.962 56.962 57.410 -0.448 25675 4469 1 10 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.620 -0.534 25675 4470 1 10 . 1 1 34 34 ASP H H 34 9.067 9.067 8.781 0.286 25675 4471 1 10 . 1 1 35 35 ASP N N 35 115.678 115.678 120.181 -4.503 25675 4472 1 10 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.417 0.078 25675 4473 1 10 . 1 1 35 35 ASP C C 35 177.470 177.470 177.052 0.418 25675 4474 1 10 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.980 -3.064 25675 4475 1 10 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.892 -1.079 25675 4476 1 10 . 1 1 35 35 ASP H H 35 7.701 7.701 8.479 -0.778 25675 4477 1 10 . 1 1 36 36 GLY N N 36 107.781 107.781 106.202 1.579 25675 4478 1 10 . 1 1 36 36 GLY C C 36 175.387 175.387 174.562 0.825 25675 4479 1 10 . 1 1 36 36 GLY CA C 36 45.526 45.526 44.999 0.527 25675 4480 1 10 . 1 1 36 36 GLY H H 36 8.211 8.211 8.282 -0.071 25675 4481 1 10 . 1 1 37 37 THR N N 37 113.224 113.224 114.342 -1.118 25675 4482 1 10 . 1 1 37 37 THR HA H 37 4.787 4.787 4.769 0.018 25675 4483 1 10 . 1 1 37 37 THR C C 37 175.874 175.874 174.126 1.748 25675 4484 1 10 . 1 1 37 37 THR CA C 37 61.569 61.569 63.007 -1.438 25675 4485 1 10 . 1 1 37 37 THR CB C 37 71.292 71.292 69.950 1.342 25675 4486 1 10 . 1 1 37 37 THR H H 37 7.890 7.890 7.917 -0.027 25675 4487 1 10 . 1 1 38 38 VAL N N 38 117.698 117.698 119.557 -1.859 25675 4488 1 10 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.311 0.036 25675 4489 1 10 . 1 1 38 38 VAL C C 38 175.187 175.187 174.342 0.845 25675 4490 1 10 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.063 -0.026 25675 4491 1 10 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.272 0.202 25675 4492 1 10 . 1 1 38 38 VAL H H 38 8.382 8.382 8.358 0.024 25675 4493 1 10 . 1 1 39 39 LEU N N 39 126.182 126.182 127.393 -1.211 25675 4494 1 10 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.282 0.217 25675 4495 1 10 . 1 1 39 39 LEU C C 39 178.655 178.655 177.402 1.253 25675 4496 1 10 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.317 -0.323 25675 4497 1 10 . 1 1 39 39 LEU CB C 39 40.660 40.660 43.324 -2.663 25675 4498 1 10 . 1 1 39 39 LEU H H 39 8.516 8.516 8.738 -0.222 25675 4499 1 10 . 1 1 40 40 LEU N N 40 125.652 125.652 125.702 -0.050 25675 4500 1 10 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.035 -0.062 25675 4501 1 10 . 1 1 40 40 LEU C C 40 178.620 178.620 178.594 0.026 25675 4502 1 10 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.597 0.659 25675 4503 1 10 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.282 -0.284 25675 4504 1 10 . 1 1 40 40 LEU H H 40 8.666 8.666 8.878 -0.212 25675 4505 1 10 . 1 1 41 41 SER N N 41 112.797 112.797 111.710 1.087 25675 4506 1 10 . 1 1 41 41 SER HA H 41 4.359 4.359 4.166 0.193 25675 4507 1 10 . 1 1 41 41 SER C C 41 176.760 176.760 176.163 0.597 25675 4508 1 10 . 1 1 41 41 SER CA C 41 60.390 60.390 61.219 -0.829 25675 4509 1 10 . 1 1 41 41 SER CB C 41 62.032 62.032 62.754 -0.722 25675 4510 1 10 . 1 1 41 41 SER H H 41 8.758 8.758 8.547 0.211 25675 4511 1 10 . 1 1 42 42 THR N N 42 121.066 121.066 118.409 2.657 25675 4512 1 10 . 1 1 42 42 THR HA H 42 3.993 3.993 4.176 -0.183 25675 4513 1 10 . 1 1 42 42 THR C C 42 176.226 176.226 175.621 0.605 25675 4514 1 10 . 1 1 42 42 THR CA C 42 65.206 65.206 65.392 -0.186 25675 4515 1 10 . 1 1 42 42 THR CB C 42 67.912 67.912 68.782 -0.870 25675 4516 1 10 . 1 1 42 42 THR H H 42 7.461 7.461 7.515 -0.054 25675 4517 1 10 . 1 1 43 43 VAL N N 43 120.996 120.996 121.569 -0.573 25675 4518 1 10 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.571 0.023 25675 4519 1 10 . 1 1 43 43 VAL C C 43 178.796 178.796 176.990 1.806 25675 4520 1 10 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.589 0.219 25675 4521 1 10 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.884 -0.045 25675 4522 1 10 . 1 1 43 43 VAL H H 43 7.288 7.288 7.412 -0.124 25675 4523 1 10 . 1 1 44 44 THR N N 44 113.305 113.305 110.852 2.453 25675 4524 1 10 . 1 1 44 44 THR HA H 44 4.202 4.202 4.331 -0.129 25675 4525 1 10 . 1 1 44 44 THR C C 44 176.337 176.337 175.411 0.926 25675 4526 1 10 . 1 1 44 44 THR CA C 44 64.358 64.358 64.457 -0.099 25675 4527 1 10 . 1 1 44 44 THR CB C 44 68.969 68.969 68.789 0.180 25675 4528 1 10 . 1 1 44 44 THR H H 44 9.189 9.189 7.728 1.461 25675 4529 1 10 . 1 1 45 45 ALA N N 45 121.618 121.618 123.652 -2.034 25675 4530 1 10 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.002 0.047 25675 4531 1 10 . 1 1 45 45 ALA C C 45 178.685 178.685 178.731 -0.046 25675 4532 1 10 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.641 -0.014 25675 4533 1 10 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.557 -0.280 25675 4534 1 10 . 1 1 45 45 ALA H H 45 7.274 7.274 7.288 -0.014 25675 4535 1 10 . 1 1 46 46 GLN N N 46 112.595 112.595 113.768 -1.173 25675 4536 1 10 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.306 -0.176 25675 4537 1 10 . 1 1 46 46 GLN C C 46 174.823 174.823 175.974 -1.151 25675 4538 1 10 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.338 -0.088 25675 4539 1 10 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.926 -1.006 25675 4540 1 10 . 1 1 46 46 GLN H H 46 6.860 6.860 7.547 -0.687 25675 4541 1 10 . 1 1 47 47 PHE N N 47 118.197 118.197 118.646 -0.449 25675 4542 1 10 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.092 -0.127 25675 4543 1 10 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.733 1.008 25675 4544 1 10 . 1 1 47 47 PHE CB C 47 39.614 39.614 38.505 1.109 25675 4545 1 10 . 1 1 47 47 PHE H H 47 8.344 8.344 7.686 0.658 25675 4546 1 10 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.509 -0.069 25675 4547 1 10 . 1 1 48 48 PRO C C 48 178.626 178.626 177.732 0.894 25675 4548 1 10 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.679 0.661 25675 4549 1 10 . 1 1 48 48 PRO CB C 48 31.446 31.446 32.161 -0.715 25675 4550 1 10 . 1 1 49 49 GLY N N 49 111.697 111.697 110.317 1.380 25675 4551 1 10 . 1 1 49 49 GLY C C 49 174.307 174.307 174.186 0.121 25675 4552 1 10 . 1 1 49 49 GLY CA C 49 44.761 44.761 45.274 -0.513 25675 4553 1 10 . 1 1 49 49 GLY H H 49 8.849 8.849 8.655 0.194 25675 4554 1 10 . 1 1 50 50 ALA N N 50 122.602 122.602 121.219 1.383 25675 4555 1 10 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.565 -0.737 25675 4556 1 10 . 1 1 50 50 ALA C C 50 177.534 177.534 176.434 1.100 25675 4557 1 10 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.271 1.135 25675 4558 1 10 . 1 1 50 50 ALA CB C 50 20.390 20.390 19.434 0.956 25675 4559 1 10 . 1 1 50 50 ALA H H 50 8.032 8.032 7.504 0.528 25675 4560 1 10 . 1 1 51 51 CYS N N 51 114.410 114.410 122.582 -8.172 25675 4561 1 10 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.580 -0.035 25675 4562 1 10 . 1 1 51 51 CYS C C 51 174.248 174.248 174.952 -0.704 25675 4563 1 10 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.556 -2.149 25675 4564 1 10 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.709 0.103 25675 4565 1 10 . 1 1 51 51 CYS H H 51 9.094 9.094 8.478 0.616 25675 4566 1 10 . 1 1 52 52 GLY N N 52 106.620 106.620 107.713 -1.093 25675 4567 1 10 . 1 1 52 52 GLY C C 52 170.769 170.769 172.109 -1.340 25675 4568 1 10 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.491 0.470 25675 4569 1 10 . 1 1 52 52 GLY H H 52 7.467 7.467 7.926 -0.459 25675 4570 1 10 . 1 1 53 53 LEU N N 53 117.961 117.961 122.142 -4.181 25675 4571 1 10 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.367 -0.022 25675 4572 1 10 . 1 1 53 53 LEU C C 53 175.563 175.563 176.292 -0.729 25675 4573 1 10 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.486 1.166 25675 4574 1 10 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.882 4.703 25675 4575 1 10 . 1 1 53 53 LEU H H 53 8.900 8.900 8.320 0.580 25675 4576 1 10 . 1 1 54 54 ARG N N 54 119.739 119.739 120.929 -1.190 25675 4577 1 10 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.402 1.209 25675 4578 1 10 . 1 1 54 54 ARG C C 54 173.638 173.638 174.429 -0.791 25675 4579 1 10 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.344 0.103 25675 4580 1 10 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.102 0.436 25675 4581 1 10 . 1 1 54 54 ARG H H 54 9.493 9.493 8.386 1.107 25675 4582 1 10 . 1 1 55 55 TYR N N 55 115.879 115.879 118.490 -2.611 25675 4583 1 10 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.741 0.047 25675 4584 1 10 . 1 1 55 55 TYR C C 55 172.417 172.417 174.443 -2.026 25675 4585 1 10 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.781 -1.788 25675 4586 1 10 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.472 0.628 25675 4587 1 10 . 1 1 55 55 TYR H H 55 8.972 8.972 8.129 0.843 25675 4588 1 10 . 1 1 56 56 ARG N N 56 121.380 121.380 123.691 -2.311 25675 4589 1 10 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.764 -0.481 25675 4590 1 10 . 1 1 56 56 ARG C C 56 175.598 175.598 174.144 1.454 25675 4591 1 10 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.409 0.759 25675 4592 1 10 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.344 -1.591 25675 4593 1 10 . 1 1 56 56 ARG H H 56 8.883 8.883 8.492 0.391 25675 4594 1 10 . 1 1 57 57 ASN N N 57 127.980 127.980 125.974 2.006 25675 4595 1 10 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.285 -0.477 25675 4596 1 10 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.436 0.819 25675 4597 1 10 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.086 -1.345 25675 4598 1 10 . 1 1 57 57 ASN H H 57 8.428 8.428 8.535 -0.107 25675 4599 1 10 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.412 -0.119 25675 4600 1 10 . 1 1 58 58 PRO C C 58 177.241 177.241 177.020 0.221 25675 4601 1 10 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.995 -0.403 25675 4602 1 10 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.825 0.463 25675 4603 1 10 . 1 1 59 59 VAL N N 59 117.104 117.104 114.772 2.332 25675 4604 1 10 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.224 -0.315 25675 4605 1 10 . 1 1 59 59 VAL C C 59 177.077 177.077 177.584 -0.507 25675 4606 1 10 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.343 0.379 25675 4607 1 10 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.730 0.231 25675 4608 1 10 . 1 1 59 59 VAL H H 59 7.965 7.965 7.884 0.081 25675 4609 1 10 . 1 1 60 60 SER N N 60 113.119 113.119 114.570 -1.451 25675 4610 1 10 . 1 1 60 60 SER HA H 60 4.427 4.427 4.349 0.078 25675 4611 1 10 . 1 1 60 60 SER C C 60 175.252 175.252 174.432 0.820 25675 4612 1 10 . 1 1 60 60 SER CA C 60 58.314 58.314 59.139 -0.825 25675 4613 1 10 . 1 1 60 60 SER CB C 60 65.134 65.134 63.294 1.840 25675 4614 1 10 . 1 1 60 60 SER H H 60 7.691 7.691 7.960 -0.269 25675 4615 1 10 . 1 1 61 61 GLN N N 61 115.138 115.138 117.123 -1.985 25675 4616 1 10 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.925 -0.065 25675 4617 1 10 . 1 1 61 61 GLN C C 61 174.882 174.882 175.066 -0.184 25675 4618 1 10 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.421 -0.085 25675 4619 1 10 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.143 -0.143 25675 4620 1 10 . 1 1 61 61 GLN H H 61 8.309 8.309 8.241 0.068 25675 4621 1 10 . 1 1 62 62 CYS N N 62 116.568 116.568 117.868 -1.300 25675 4622 1 10 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.589 -0.057 25675 4623 1 10 . 1 1 62 62 CYS C C 62 174.242 174.242 174.826 -0.584 25675 4624 1 10 . 1 1 62 62 CYS CA C 62 58.084 58.084 57.251 0.833 25675 4625 1 10 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.736 -0.480 25675 4626 1 10 . 1 1 62 62 CYS H H 62 7.664 7.664 7.748 -0.084 25675 4627 1 10 . 1 1 63 63 MET N N 63 122.627 122.627 119.117 3.510 25675 4628 1 10 . 1 1 63 63 MET HA H 63 4.095 4.095 4.921 -0.826 25675 4629 1 10 . 1 1 63 63 MET C C 63 176.437 176.437 174.583 1.854 25675 4630 1 10 . 1 1 63 63 MET CA C 63 54.992 54.992 54.693 0.299 25675 4631 1 10 . 1 1 63 63 MET CB C 63 32.828 32.828 32.860 -0.032 25675 4632 1 10 . 1 1 63 63 MET H H 63 8.733 8.733 8.455 0.278 25675 4633 1 10 . 1 1 64 64 ARG N N 64 124.300 124.300 120.724 3.576 25675 4634 1 10 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.352 0.115 25675 4635 1 10 . 1 1 64 64 ARG C C 64 174.618 174.618 176.053 -1.435 25675 4636 1 10 . 1 1 64 64 ARG CA C 64 53.788 53.788 56.981 -3.193 25675 4637 1 10 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.548 1.987 25675 4638 1 10 . 1 1 64 64 ARG H H 64 8.995 8.995 8.169 0.826 25675 4639 1 10 . 1 1 65 65 GLY N N 65 122.716 122.716 106.921 15.795 25675 4640 1 10 . 1 1 65 65 GLY C C 65 174.589 174.589 173.333 1.256 25675 4641 1 10 . 1 1 65 65 GLY H H 65 8.474 8.474 8.277 0.198 25675 4642 1 10 . 1 1 66 66 VAL N N 66 124.050 124.050 121.844 2.206 25675 4643 1 10 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.644 0.551 25675 4644 1 10 . 1 1 66 66 VAL C C 66 176.220 176.220 175.869 0.351 25675 4645 1 10 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.487 -1.010 25675 4646 1 10 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.851 0.826 25675 4647 1 10 . 1 1 66 66 VAL H H 66 8.313 8.313 7.575 0.738 25675 4648 1 10 . 1 1 67 67 ARG N N 67 131.490 131.490 128.515 2.975 25675 4649 1 10 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.514 -0.466 25675 4650 1 10 . 1 1 67 67 ARG C C 67 173.497 173.497 174.510 -1.013 25675 4651 1 10 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.234 3.142 25675 4652 1 10 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.836 -0.904 25675 4653 1 10 . 1 1 67 67 ARG H H 67 9.314 9.314 7.930 1.384 25675 4654 1 10 . 1 1 68 68 LEU N N 68 130.230 130.230 126.477 3.753 25675 4655 1 10 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.621 0.583 25675 4656 1 10 . 1 1 68 68 LEU C C 68 175.950 175.950 174.816 1.134 25675 4657 1 10 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.879 -0.065 25675 4658 1 10 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.993 0.100 25675 4659 1 10 . 1 1 68 68 LEU H H 68 8.299 8.299 8.537 -0.238 25675 4660 1 10 . 1 1 69 69 VAL N N 69 127.090 127.090 127.107 -0.017 25675 4661 1 10 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.382 -0.055 25675 4662 1 10 . 1 1 69 69 VAL C C 69 176.155 176.155 175.184 0.971 25675 4663 1 10 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.578 -0.224 25675 4664 1 10 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.192 0.913 25675 4665 1 10 . 1 1 69 69 VAL H H 69 9.044 9.044 8.399 0.645 25675 4666 1 10 . 1 1 70 70 GLU N N 70 128.672 128.672 125.873 2.799 25675 4667 1 10 . 1 1 70 70 GLU HA H 70 3.916 3.916 4.020 -0.104 25675 4668 1 10 . 1 1 70 70 GLU C C 70 175.891 175.891 176.522 -0.631 25675 4669 1 10 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.224 -0.394 25675 4670 1 10 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.882 -0.692 25675 4671 1 10 . 1 1 70 70 GLU H H 70 9.646 9.646 9.205 0.441 25675 4672 1 10 . 1 1 71 71 GLY N N 71 117.967 117.967 102.056 15.911 25675 4673 1 10 . 1 1 71 71 GLY C C 71 173.327 173.327 173.815 -0.488 25675 4674 1 10 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.311 0.737 25675 4675 1 10 . 1 1 71 71 GLY H H 71 8.417 8.417 8.225 0.192 25675 4676 1 10 . 1 1 72 72 ILE N N 72 123.402 123.402 123.472 -0.070 25675 4677 1 10 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.333 -0.096 25675 4678 1 10 . 1 1 72 72 ILE C C 72 174.882 174.882 176.016 -1.134 25675 4679 1 10 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.895 -0.467 25675 4680 1 10 . 1 1 72 72 ILE CB C 72 38.851 38.851 38.010 0.841 25675 4681 1 10 . 1 1 72 72 ILE H H 72 8.124 8.124 7.713 0.411 25675 4682 1 10 . 1 1 73 73 LEU N N 73 129.380 129.380 130.237 -0.857 25675 4683 1 10 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.859 0.340 25675 4684 1 10 . 1 1 73 73 LEU C C 73 175.932 175.932 176.867 -0.935 25675 4685 1 10 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.901 0.344 25675 4686 1 10 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.053 1.829 25675 4687 1 10 . 1 1 73 73 LEU H H 73 9.353 9.353 8.759 0.594 25675 4688 1 10 . 1 1 74 74 HIS N N 74 120.040 120.040 126.829 -6.789 25675 4689 1 10 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.712 -0.101 25675 4690 1 10 . 1 1 74 74 HIS C C 74 172.371 172.371 173.120 -0.749 25675 4691 1 10 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.706 -0.881 25675 4692 1 10 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.215 -1.365 25675 4693 1 10 . 1 1 74 74 HIS H H 74 8.541 8.541 8.730 -0.189 25675 4694 1 10 . 1 1 75 75 ALA N N 75 125.980 125.980 129.032 -3.052 25675 4695 1 10 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.884 -2.135 25675 4696 1 10 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.741 1.196 25675 4697 1 10 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.745 -1.797 25675 4698 1 10 . 1 1 75 75 ALA H H 75 8.413 8.413 8.220 0.193 25675 4699 1 10 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.184 0.098 25675 4700 1 10 . 1 1 76 76 PRO C C 76 176.185 176.185 175.971 0.214 25675 4701 1 10 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.952 0.329 25675 4702 1 10 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.308 -0.036 25675 4703 1 10 . 1 1 77 77 ASP N N 77 122.297 122.297 116.556 5.741 25675 4704 1 10 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.412 -0.322 25675 4705 1 10 . 1 1 77 77 ASP C C 77 176.977 176.977 176.589 0.388 25675 4706 1 10 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.455 2.049 25675 4707 1 10 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.255 -0.345 25675 4708 1 10 . 1 1 77 77 ASP H H 77 8.454 8.454 8.265 0.189 25675 4709 1 10 . 1 1 78 78 ALA N N 78 118.586 118.586 120.900 -2.314 25675 4710 1 10 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.343 -0.094 25675 4711 1 10 . 1 1 78 78 ALA C C 78 177.458 177.458 177.775 -0.317 25675 4712 1 10 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.197 0.527 25675 4713 1 10 . 1 1 78 78 ALA CB C 78 18.746 18.746 19.919 -1.173 25675 4714 1 10 . 1 1 78 78 ALA H H 78 8.032 8.032 7.607 0.425 25675 4715 1 10 . 1 1 79 79 GLY N N 79 107.830 107.830 105.651 2.179 25675 4716 1 10 . 1 1 79 79 GLY C C 79 172.928 172.928 173.518 -0.590 25675 4717 1 10 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.233 -0.892 25675 4718 1 10 . 1 1 79 79 GLY H H 79 7.902 7.902 7.290 0.612 25675 4719 1 10 . 1 1 80 80 TRP N N 80 119.474 119.474 122.424 -2.950 25675 4720 1 10 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.715 -0.180 25675 4721 1 10 . 1 1 80 80 TRP C C 80 180.190 180.190 177.214 2.976 25675 4722 1 10 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.233 0.437 25675 4723 1 10 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.311 0.775 25675 4724 1 10 . 1 1 80 80 TRP H H 80 8.389 8.389 8.419 -0.030 25675 4725 1 10 . 1 1 81 81 GLY N N 81 103.130 103.130 105.020 -1.890 25675 4726 1 10 . 1 1 81 81 GLY C C 81 174.110 174.110 172.469 1.641 25675 4727 1 10 . 1 1 81 81 GLY CA C 81 45.879 45.879 45.155 0.724 25675 4728 1 10 . 1 1 81 81 GLY H H 81 8.519 8.519 8.679 -0.160 25675 4729 1 10 . 1 1 82 82 ASN N N 82 120.652 120.652 118.004 2.648 25675 4730 1 10 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.246 -0.170 25675 4731 1 10 . 1 1 82 82 ASN C C 82 175.211 175.211 175.711 -0.500 25675 4732 1 10 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.308 -0.323 25675 4733 1 10 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.721 -0.064 25675 4734 1 10 . 1 1 82 82 ASN H H 82 8.800 8.800 8.520 0.280 25675 4735 1 10 . 1 1 83 83 LEU N N 83 118.129 118.129 116.615 1.514 25675 4736 1 10 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.996 -0.867 25675 4737 1 10 . 1 1 83 83 LEU C C 83 174.442 174.442 175.572 -1.130 25675 4738 1 10 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.867 0.932 25675 4739 1 10 . 1 1 83 83 LEU CB C 83 41.857 41.857 43.913 -2.056 25675 4740 1 10 . 1 1 83 83 LEU H H 83 6.883 6.883 7.600 -0.717 25675 4741 1 10 . 1 1 84 84 VAL N N 84 118.316 118.316 116.759 1.557 25675 4742 1 10 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.426 -0.371 25675 4743 1 10 . 1 1 84 84 VAL C C 84 174.630 174.630 174.870 -0.240 25675 4744 1 10 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.925 0.519 25675 4745 1 10 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.764 -0.806 25675 4746 1 10 . 1 1 84 84 VAL H H 84 7.835 7.835 7.804 0.031 25675 4747 1 10 . 1 1 85 85 TYR N N 85 128.110 128.110 124.521 3.589 25675 4748 1 10 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.424 -0.727 25675 4749 1 10 . 1 1 85 85 TYR C C 85 174.313 174.313 174.077 0.236 25675 4750 1 10 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.424 3.697 25675 4751 1 10 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.913 -0.373 25675 4752 1 10 . 1 1 85 85 TYR H H 85 8.886 8.886 9.022 -0.136 25675 4753 1 10 . 1 1 86 86 VAL N N 86 122.593 122.593 123.112 -0.519 25675 4754 1 10 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.960 0.795 25675 4755 1 10 . 1 1 86 86 VAL C C 86 176.531 176.531 175.784 0.747 25675 4756 1 10 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.556 -0.557 25675 4757 1 10 . 1 1 86 86 VAL CB C 86 33.419 33.419 33.416 0.003 25675 4758 1 10 . 1 1 86 86 VAL H H 86 9.473 9.473 7.702 1.771 25675 4759 1 10 . 1 1 87 87 VAL N N 87 124.298 124.298 127.658 -3.360 25675 4760 1 10 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.012 -0.225 25675 4761 1 10 . 1 1 87 87 VAL C C 87 174.735 174.735 175.213 -0.478 25675 4762 1 10 . 1 1 87 87 VAL CA C 87 63.726 63.726 63.125 0.601 25675 4763 1 10 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.063 0.660 25675 4764 1 10 . 1 1 87 87 VAL H H 87 7.864 7.864 8.284 -0.420 25675 4765 1 10 . 1 1 88 88 ASN N N 88 123.146 123.146 123.521 -0.375 25675 4766 1 10 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.817 -0.043 25675 4767 1 10 . 1 1 88 88 ASN C C 88 172.900 172.900 174.012 -1.112 25675 4768 1 10 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.140 -0.808 25675 4769 1 10 . 1 1 88 88 ASN CB C 88 40.773 40.773 39.681 1.092 25675 4770 1 10 . 1 1 88 88 ASN H H 88 7.786 7.786 8.055 -0.269 25675 4771 1 11 . 1 1 3 3 GLY C C 3 173.761 173.761 174.041 -0.280 25675 4772 1 11 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.450 0.680 25675 4773 1 11 . 1 1 4 4 SER N N 4 115.011 115.011 116.205 -1.194 25675 4774 1 11 . 1 1 4 4 SER HA H 4 4.304 4.304 4.524 -0.220 25675 4775 1 11 . 1 1 4 4 SER C C 4 174.600 174.600 175.396 -0.796 25675 4776 1 11 . 1 1 4 4 SER CA C 4 57.900 57.900 57.645 0.255 25675 4777 1 11 . 1 1 4 4 SER CB C 4 63.800 63.800 63.935 -0.135 25675 4778 1 11 . 1 1 4 4 SER H H 4 8.185 8.185 8.461 -0.276 25675 4779 1 11 . 1 1 5 5 HIS N N 5 120.326 120.326 120.422 -0.096 25675 4780 1 11 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.569 0.033 25675 4781 1 11 . 1 1 5 5 HIS C C 5 174.200 174.200 175.945 -1.745 25675 4782 1 11 . 1 1 5 5 HIS CA C 5 55.268 55.268 56.718 -1.450 25675 4783 1 11 . 1 1 5 5 HIS CB C 5 29.000 29.000 29.986 -0.986 25675 4784 1 11 . 1 1 5 5 HIS H H 5 8.641 8.641 8.327 0.314 25675 4785 1 11 . 1 1 6 6 HIS N N 6 119.478 119.478 120.034 -0.556 25675 4786 1 11 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.319 0.308 25675 4787 1 11 . 1 1 6 6 HIS C C 6 174.100 174.100 175.621 -1.521 25675 4788 1 11 . 1 1 6 6 HIS CA C 6 55.268 55.268 56.712 -1.444 25675 4789 1 11 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.329 -1.029 25675 4790 1 11 . 1 1 6 6 HIS H H 6 8.555 8.555 7.542 1.013 25675 4791 1 11 . 1 1 7 7 HIS N N 7 120.507 120.507 119.688 0.819 25675 4792 1 11 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.515 0.066 25675 4793 1 11 . 1 1 7 7 HIS C C 7 174.100 174.100 175.913 -1.813 25675 4794 1 11 . 1 1 7 7 HIS CA C 7 55.268 55.268 57.408 -2.140 25675 4795 1 11 . 1 1 7 7 HIS CB C 7 29.300 29.300 30.378 -1.078 25675 4796 1 11 . 1 1 7 7 HIS H H 7 8.777 8.777 8.693 0.084 25675 4797 1 11 . 1 1 8 8 HIS N N 8 120.616 120.616 118.655 1.961 25675 4798 1 11 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.459 0.141 25675 4799 1 11 . 1 1 8 8 HIS C C 8 174.200 174.200 174.957 -0.757 25675 4800 1 11 . 1 1 8 8 HIS CA C 8 55.268 55.268 56.075 -0.807 25675 4801 1 11 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.193 -0.893 25675 4802 1 11 . 1 1 8 8 HIS H H 8 8.777 8.777 8.505 0.272 25675 4803 1 11 . 1 1 9 9 HIS N N 9 121.131 121.131 119.929 1.202 25675 4804 1 11 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.046 0.534 25675 4805 1 11 . 1 1 9 9 HIS C C 9 173.990 173.990 174.869 -0.879 25675 4806 1 11 . 1 1 9 9 HIS CA C 9 55.000 55.000 57.137 -2.137 25675 4807 1 11 . 1 1 9 9 HIS CB C 9 29.400 29.400 29.380 0.020 25675 4808 1 11 . 1 1 9 9 HIS H H 9 8.785 8.785 7.809 0.976 25675 4809 1 11 . 1 1 10 10 HIS N N 10 121.437 121.437 125.159 -3.722 25675 4810 1 11 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.708 -0.114 25675 4811 1 11 . 1 1 10 10 HIS C C 10 174.577 174.577 175.008 -0.431 25675 4812 1 11 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.440 -0.172 25675 4813 1 11 . 1 1 10 10 HIS CB C 10 28.900 28.900 29.513 -0.613 25675 4814 1 11 . 1 1 10 10 HIS H H 10 8.769 8.769 8.360 0.409 25675 4815 1 11 . 1 1 11 11 GLY N N 11 111.579 111.579 110.166 1.413 25675 4816 1 11 . 1 1 11 11 GLY C C 11 174.184 174.184 174.313 -0.129 25675 4817 1 11 . 1 1 11 11 GLY CA C 11 45.340 45.340 45.337 0.003 25675 4818 1 11 . 1 1 11 11 GLY H H 11 8.559 8.559 7.477 1.082 25675 4819 1 11 . 1 1 12 12 SER N N 12 115.987 115.987 117.382 -1.395 25675 4820 1 11 . 1 1 12 12 SER HA H 12 4.407 4.407 4.704 -0.297 25675 4821 1 11 . 1 1 12 12 SER C C 12 174.817 174.817 174.280 0.537 25675 4822 1 11 . 1 1 12 12 SER CA C 12 58.529 58.529 56.896 1.633 25675 4823 1 11 . 1 1 12 12 SER CB C 12 63.780 63.780 65.249 -1.469 25675 4824 1 11 . 1 1 12 12 SER H H 12 8.353 8.353 8.206 0.147 25675 4825 1 11 . 1 1 13 13 MET N N 13 121.805 121.805 120.218 1.587 25675 4826 1 11 . 1 1 13 13 MET HA H 13 4.521 4.521 4.484 0.037 25675 4827 1 11 . 1 1 13 13 MET C C 13 176.003 176.003 175.111 0.892 25675 4828 1 11 . 1 1 13 13 MET CA C 13 55.503 55.503 56.281 -0.778 25675 4829 1 11 . 1 1 13 13 MET CB C 13 32.843 32.843 32.684 0.159 25675 4830 1 11 . 1 1 13 13 MET H H 13 8.432 8.432 8.269 0.163 25675 4831 1 11 . 1 1 14 14 SER N N 14 116.515 116.515 117.221 -0.706 25675 4832 1 11 . 1 1 14 14 SER HA H 14 4.265 4.265 4.713 -0.448 25675 4833 1 11 . 1 1 14 14 SER C C 14 174.055 174.055 173.608 0.447 25675 4834 1 11 . 1 1 14 14 SER H H 14 8.205 8.205 8.123 0.082 25675 4835 1 11 . 1 1 15 15 GLU N N 15 122.455 122.455 123.693 -1.238 25675 4836 1 11 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.550 -0.315 25675 4837 1 11 . 1 1 15 15 GLU C C 15 174.900 174.900 175.573 -0.673 25675 4838 1 11 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.431 0.196 25675 4839 1 11 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.335 -1.110 25675 4840 1 11 . 1 1 15 15 GLU H H 15 8.292 8.292 8.821 -0.529 25675 4841 1 11 . 1 1 16 16 TYR N N 16 118.896 118.896 120.492 -1.596 25675 4842 1 11 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.749 0.312 25675 4843 1 11 . 1 1 16 16 TYR C C 16 174.935 174.935 175.128 -0.193 25675 4844 1 11 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.880 0.832 25675 4845 1 11 . 1 1 16 16 TYR CB C 16 41.507 41.507 39.661 1.846 25675 4846 1 11 . 1 1 16 16 TYR H H 16 7.955 7.955 8.057 -0.102 25675 4847 1 11 . 1 1 17 17 ILE N N 17 115.711 115.711 120.528 -4.817 25675 4848 1 11 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.386 0.163 25675 4849 1 11 . 1 1 17 17 ILE C C 17 174.747 174.747 174.100 0.647 25675 4850 1 11 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.869 -0.427 25675 4851 1 11 . 1 1 17 17 ILE CB C 17 40.859 40.859 39.948 0.911 25675 4852 1 11 . 1 1 17 17 ILE H H 17 8.890 8.890 7.888 1.002 25675 4853 1 11 . 1 1 18 18 ARG N N 18 123.175 123.175 129.293 -6.118 25675 4854 1 11 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.576 -0.696 25675 4855 1 11 . 1 1 18 18 ARG C C 18 174.988 174.988 175.234 -0.246 25675 4856 1 11 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.504 1.341 25675 4857 1 11 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.517 0.213 25675 4858 1 11 . 1 1 18 18 ARG H H 18 8.636 8.636 8.362 0.274 25675 4859 1 11 . 1 1 19 19 VAL N N 19 122.554 122.554 119.610 2.944 25675 4860 1 11 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.632 -0.168 25675 4861 1 11 . 1 1 19 19 VAL C C 19 173.984 173.984 174.603 -0.619 25675 4862 1 11 . 1 1 19 19 VAL CA C 19 59.894 59.894 60.002 -0.108 25675 4863 1 11 . 1 1 19 19 VAL CB C 19 35.709 35.709 36.169 -0.459 25675 4864 1 11 . 1 1 19 19 VAL H H 19 8.916 8.916 8.155 0.761 25675 4865 1 11 . 1 1 20 20 THR N N 20 118.638 118.638 114.832 3.806 25675 4866 1 11 . 1 1 20 20 THR HA H 20 5.081 5.081 4.878 0.203 25675 4867 1 11 . 1 1 20 20 THR C C 20 172.312 172.312 174.430 -2.118 25675 4868 1 11 . 1 1 20 20 THR CA C 20 57.731 57.731 59.193 -1.462 25675 4869 1 11 . 1 1 20 20 THR CB C 20 71.835 71.835 71.059 0.776 25675 4870 1 11 . 1 1 20 20 THR H H 20 8.794 8.794 8.142 0.652 25675 4871 1 11 . 1 1 21 21 GLU N N 21 124.307 124.307 124.720 -0.413 25675 4872 1 11 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.514 0.660 25675 4873 1 11 . 1 1 21 21 GLU C C 21 175.258 175.258 176.337 -1.079 25675 4874 1 11 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.695 -1.795 25675 4875 1 11 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.180 -1.228 25675 4876 1 11 . 1 1 21 21 GLU H H 21 8.792 8.792 8.880 -0.088 25675 4877 1 11 . 1 1 22 22 ASP N N 22 117.282 117.282 118.939 -1.657 25675 4878 1 11 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.712 -0.108 25675 4879 1 11 . 1 1 22 22 ASP C C 22 175.387 175.387 175.747 -0.360 25675 4880 1 11 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.701 -0.236 25675 4881 1 11 . 1 1 22 22 ASP CB C 22 42.875 42.875 42.608 0.266 25675 4882 1 11 . 1 1 22 22 ASP H H 22 7.932 7.932 7.583 0.349 25675 4883 1 11 . 1 1 23 23 GLU N N 23 123.785 123.785 121.409 2.376 25675 4884 1 11 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.058 -0.120 25675 4885 1 11 . 1 1 23 23 GLU C C 23 176.062 176.062 177.179 -1.117 25675 4886 1 11 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.426 1.016 25675 4887 1 11 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.492 -0.056 25675 4888 1 11 . 1 1 23 23 GLU H H 23 9.232 9.232 8.619 0.613 25675 4889 1 11 . 1 1 24 24 ASN N N 24 115.807 115.807 117.549 -1.742 25675 4890 1 11 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.588 0.100 25675 4891 1 11 . 1 1 24 24 ASN C C 24 174.636 174.636 175.337 -0.701 25675 4892 1 11 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.598 -0.700 25675 4893 1 11 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.431 0.472 25675 4894 1 11 . 1 1 24 24 ASN H H 24 8.694 8.694 8.319 0.375 25675 4895 1 11 . 1 1 25 25 ASP N N 25 119.629 119.629 119.113 0.516 25675 4896 1 11 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.749 0.206 25675 4897 1 11 . 1 1 25 25 ASP C C 25 175.269 175.269 175.046 0.223 25675 4898 1 11 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.675 -1.485 25675 4899 1 11 . 1 1 25 25 ASP CB C 25 40.792 40.792 41.978 -1.186 25675 4900 1 11 . 1 1 25 25 ASP H H 25 7.987 7.987 8.158 -0.171 25675 4901 1 11 . 1 1 26 26 GLU N N 26 123.692 123.692 118.347 5.345 25675 4902 1 11 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.631 -0.109 25675 4903 1 11 . 1 1 26 26 GLU CA C 26 54.120 54.120 53.938 0.182 25675 4904 1 11 . 1 1 26 26 GLU CB C 26 28.899 28.899 30.764 -1.865 25675 4905 1 11 . 1 1 26 26 GLU H H 26 8.718 8.718 8.444 0.274 25675 4906 1 11 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.494 0.235 25675 4907 1 11 . 1 1 27 27 PRO C C 27 176.126 176.126 175.672 0.454 25675 4908 1 11 . 1 1 27 27 PRO CA C 27 62.351 62.351 63.089 -0.738 25675 4909 1 11 . 1 1 27 27 PRO CB C 27 33.519 33.519 32.020 1.499 25675 4910 1 11 . 1 1 28 28 ILE N N 28 118.646 118.646 124.789 -6.143 25675 4911 1 11 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.317 0.157 25675 4912 1 11 . 1 1 28 28 ILE C C 28 175.181 175.181 174.638 0.543 25675 4913 1 11 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.896 -0.448 25675 4914 1 11 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.476 0.150 25675 4915 1 11 . 1 1 28 28 ILE H H 28 9.244 9.244 8.100 1.144 25675 4916 1 11 . 1 1 29 29 GLU N N 29 120.763 120.763 127.118 -6.355 25675 4917 1 11 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.059 -0.154 25675 4918 1 11 . 1 1 29 29 GLU C C 29 175.739 175.739 175.347 0.392 25675 4919 1 11 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.795 0.493 25675 4920 1 11 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.208 -1.168 25675 4921 1 11 . 1 1 29 29 GLU H H 29 8.220 8.220 8.377 -0.157 25675 4922 1 11 . 1 1 30 30 ILE N N 30 124.950 124.950 118.912 6.038 25675 4923 1 11 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.756 -0.010 25675 4924 1 11 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.444 -1.730 25675 4925 1 11 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.867 -1.014 25675 4926 1 11 . 1 1 30 30 ILE H H 30 9.307 9.307 8.396 0.911 25675 4927 1 11 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.618 -0.235 25675 4928 1 11 . 1 1 31 31 PRO C C 31 175.768 175.768 175.763 0.005 25675 4929 1 11 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.951 -0.169 25675 4930 1 11 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.098 0.269 25675 4931 1 11 . 1 1 32 32 SER N N 32 114.522 114.522 116.982 -2.460 25675 4932 1 11 . 1 1 32 32 SER HA H 32 4.567 4.567 4.602 -0.035 25675 4933 1 11 . 1 1 32 32 SER C C 32 175.170 175.170 173.354 1.816 25675 4934 1 11 . 1 1 32 32 SER CA C 32 56.211 56.211 56.442 -0.231 25675 4935 1 11 . 1 1 32 32 SER CB C 32 65.701 65.701 66.468 -0.767 25675 4936 1 11 . 1 1 32 32 SER H H 32 7.835 7.835 8.057 -0.222 25675 4937 1 11 . 1 1 33 33 GLU N N 33 118.001 118.001 120.900 -2.899 25675 4938 1 11 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.437 -0.144 25675 4939 1 11 . 1 1 33 33 GLU C C 33 178.843 178.843 177.714 1.129 25675 4940 1 11 . 1 1 33 33 GLU CB C 33 30.593 30.593 30.890 -0.297 25675 4941 1 11 . 1 1 33 33 GLU H H 33 9.229 9.229 8.461 0.768 25675 4942 1 11 . 1 1 34 34 ASP N N 34 122.097 122.097 122.724 -0.627 25675 4943 1 11 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.455 -0.183 25675 4944 1 11 . 1 1 34 34 ASP C C 34 175.680 175.680 177.275 -1.595 25675 4945 1 11 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.773 0.189 25675 4946 1 11 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.865 -0.779 25675 4947 1 11 . 1 1 34 34 ASP H H 34 9.067 9.067 8.893 0.174 25675 4948 1 11 . 1 1 35 35 ASP N N 35 115.678 115.678 118.686 -3.008 25675 4949 1 11 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.471 0.024 25675 4950 1 11 . 1 1 35 35 ASP C C 35 177.470 177.470 177.042 0.428 25675 4951 1 11 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.136 -2.220 25675 4952 1 11 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.876 -1.063 25675 4953 1 11 . 1 1 35 35 ASP H H 35 7.701 7.701 8.419 -0.718 25675 4954 1 11 . 1 1 36 36 GLY N N 36 107.781 107.781 106.139 1.642 25675 4955 1 11 . 1 1 36 36 GLY C C 36 175.387 175.387 174.048 1.339 25675 4956 1 11 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.041 0.485 25675 4957 1 11 . 1 1 36 36 GLY H H 36 8.211 8.211 7.803 0.408 25675 4958 1 11 . 1 1 37 37 THR N N 37 113.224 113.224 112.501 0.723 25675 4959 1 11 . 1 1 37 37 THR HA H 37 4.787 4.787 5.009 -0.222 25675 4960 1 11 . 1 1 37 37 THR C C 37 175.874 175.874 173.715 2.159 25675 4961 1 11 . 1 1 37 37 THR CA C 37 61.569 61.569 61.457 0.112 25675 4962 1 11 . 1 1 37 37 THR CB C 37 71.292 71.292 71.385 -0.093 25675 4963 1 11 . 1 1 37 37 THR H H 37 7.890 7.890 7.657 0.233 25675 4964 1 11 . 1 1 38 38 VAL N N 38 117.698 117.698 120.236 -2.538 25675 4965 1 11 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.467 -0.120 25675 4966 1 11 . 1 1 38 38 VAL C C 38 175.187 175.187 174.630 0.557 25675 4967 1 11 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.251 -0.214 25675 4968 1 11 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.254 0.220 25675 4969 1 11 . 1 1 38 38 VAL H H 38 8.382 8.382 8.315 0.068 25675 4970 1 11 . 1 1 39 39 LEU N N 39 126.182 126.182 126.487 -0.305 25675 4971 1 11 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.251 0.248 25675 4972 1 11 . 1 1 39 39 LEU C C 39 178.655 178.655 178.039 0.616 25675 4973 1 11 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.119 -0.125 25675 4974 1 11 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.192 -1.532 25675 4975 1 11 . 1 1 39 39 LEU H H 39 8.516 8.516 8.540 -0.024 25675 4976 1 11 . 1 1 40 40 LEU N N 40 125.652 125.652 123.072 2.580 25675 4977 1 11 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.070 -0.097 25675 4978 1 11 . 1 1 40 40 LEU C C 40 178.620 178.620 178.975 -0.355 25675 4979 1 11 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.518 0.738 25675 4980 1 11 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.467 -0.469 25675 4981 1 11 . 1 1 40 40 LEU H H 40 8.666 8.666 8.741 -0.075 25675 4982 1 11 . 1 1 41 41 SER N N 41 112.797 112.797 113.114 -0.317 25675 4983 1 11 . 1 1 41 41 SER HA H 41 4.359 4.359 4.249 0.110 25675 4984 1 11 . 1 1 41 41 SER C C 41 176.760 176.760 176.046 0.714 25675 4985 1 11 . 1 1 41 41 SER CA C 41 60.390 60.390 61.422 -1.032 25675 4986 1 11 . 1 1 41 41 SER CB C 41 62.032 62.032 62.548 -0.516 25675 4987 1 11 . 1 1 41 41 SER H H 41 8.758 8.758 8.415 0.343 25675 4988 1 11 . 1 1 42 42 THR N N 42 121.066 121.066 117.655 3.411 25675 4989 1 11 . 1 1 42 42 THR HA H 42 3.993 3.993 4.171 -0.178 25675 4990 1 11 . 1 1 42 42 THR C C 42 176.226 176.226 175.878 0.348 25675 4991 1 11 . 1 1 42 42 THR CA C 42 65.206 65.206 65.570 -0.364 25675 4992 1 11 . 1 1 42 42 THR CB C 42 67.912 67.912 68.848 -0.936 25675 4993 1 11 . 1 1 42 42 THR H H 42 7.461 7.461 7.476 -0.015 25675 4994 1 11 . 1 1 43 43 VAL N N 43 120.996 120.996 121.396 -0.400 25675 4995 1 11 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.644 -0.050 25675 4996 1 11 . 1 1 43 43 VAL C C 43 178.796 178.796 177.373 1.423 25675 4997 1 11 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.784 0.024 25675 4998 1 11 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.772 0.068 25675 4999 1 11 . 1 1 43 43 VAL H H 43 7.288 7.288 7.371 -0.083 25675 5000 1 11 . 1 1 44 44 THR N N 44 113.305 113.305 111.157 2.148 25675 5001 1 11 . 1 1 44 44 THR HA H 44 4.202 4.202 4.290 -0.088 25675 5002 1 11 . 1 1 44 44 THR C C 44 176.337 176.337 175.519 0.818 25675 5003 1 11 . 1 1 44 44 THR CA C 44 64.358 64.358 64.662 -0.304 25675 5004 1 11 . 1 1 44 44 THR CB C 44 68.969 68.969 68.785 0.184 25675 5005 1 11 . 1 1 44 44 THR H H 44 9.189 9.189 7.803 1.386 25675 5006 1 11 . 1 1 45 45 ALA N N 45 121.618 121.618 124.567 -2.949 25675 5007 1 11 . 1 1 45 45 ALA HA H 45 4.049 4.049 3.990 0.059 25675 5008 1 11 . 1 1 45 45 ALA C C 45 178.685 178.685 178.916 -0.231 25675 5009 1 11 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.384 0.242 25675 5010 1 11 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.672 -0.395 25675 5011 1 11 . 1 1 45 45 ALA H H 45 7.274 7.274 7.762 -0.488 25675 5012 1 11 . 1 1 46 46 GLN N N 46 112.595 112.595 114.099 -1.504 25675 5013 1 11 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.319 -0.189 25675 5014 1 11 . 1 1 46 46 GLN C C 46 174.823 174.823 175.735 -0.912 25675 5015 1 11 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.484 -0.234 25675 5016 1 11 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.203 -0.282 25675 5017 1 11 . 1 1 46 46 GLN H H 46 6.860 6.860 7.629 -0.769 25675 5018 1 11 . 1 1 47 47 PHE N N 47 118.197 118.197 119.323 -1.126 25675 5019 1 11 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.106 -0.141 25675 5020 1 11 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.924 0.817 25675 5021 1 11 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.099 0.515 25675 5022 1 11 . 1 1 47 47 PHE H H 47 8.344 8.344 7.685 0.659 25675 5023 1 11 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.495 -0.055 25675 5024 1 11 . 1 1 48 48 PRO C C 48 178.626 178.626 177.990 0.636 25675 5025 1 11 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.703 0.637 25675 5026 1 11 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.961 -0.515 25675 5027 1 11 . 1 1 49 49 GLY N N 49 111.697 111.697 111.406 0.291 25675 5028 1 11 . 1 1 49 49 GLY C C 49 174.307 174.307 174.197 0.110 25675 5029 1 11 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.973 -0.212 25675 5030 1 11 . 1 1 49 49 GLY H H 49 8.849 8.849 8.823 0.026 25675 5031 1 11 . 1 1 50 50 ALA N N 50 122.602 122.602 121.641 0.961 25675 5032 1 11 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.641 -0.813 25675 5033 1 11 . 1 1 50 50 ALA C C 50 177.534 177.534 176.259 1.275 25675 5034 1 11 . 1 1 50 50 ALA CA C 50 53.406 53.406 51.883 1.523 25675 5035 1 11 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.645 1.745 25675 5036 1 11 . 1 1 50 50 ALA H H 50 8.032 8.032 7.579 0.453 25675 5037 1 11 . 1 1 51 51 CYS N N 51 114.410 114.410 124.012 -9.602 25675 5038 1 11 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.575 -0.030 25675 5039 1 11 . 1 1 51 51 CYS C C 51 174.248 174.248 175.111 -0.863 25675 5040 1 11 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.280 -1.873 25675 5041 1 11 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.412 0.401 25675 5042 1 11 . 1 1 51 51 CYS H H 51 9.094 9.094 8.371 0.723 25675 5043 1 11 . 1 1 52 52 GLY N N 52 106.620 106.620 108.454 -1.834 25675 5044 1 11 . 1 1 52 52 GLY C C 52 170.769 170.769 172.270 -1.501 25675 5045 1 11 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.509 0.452 25675 5046 1 11 . 1 1 52 52 GLY H H 52 7.467 7.467 7.911 -0.444 25675 5047 1 11 . 1 1 53 53 LEU N N 53 117.961 117.961 122.741 -4.780 25675 5048 1 11 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.307 0.038 25675 5049 1 11 . 1 1 53 53 LEU C C 53 175.563 175.563 176.279 -0.716 25675 5050 1 11 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.542 1.110 25675 5051 1 11 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.824 4.761 25675 5052 1 11 . 1 1 53 53 LEU H H 53 8.900 8.900 8.307 0.593 25675 5053 1 11 . 1 1 54 54 ARG N N 54 119.739 119.739 121.052 -1.313 25675 5054 1 11 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.423 1.188 25675 5055 1 11 . 1 1 54 54 ARG C C 54 173.638 173.638 174.571 -0.933 25675 5056 1 11 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.431 0.016 25675 5057 1 11 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.097 0.441 25675 5058 1 11 . 1 1 54 54 ARG H H 54 9.493 9.493 8.330 1.163 25675 5059 1 11 . 1 1 55 55 TYR N N 55 115.879 115.879 118.761 -2.882 25675 5060 1 11 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.702 0.086 25675 5061 1 11 . 1 1 55 55 TYR C C 55 172.417 172.417 174.573 -2.156 25675 5062 1 11 . 1 1 55 55 TYR CA C 55 55.993 55.993 58.058 -2.065 25675 5063 1 11 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.376 0.724 25675 5064 1 11 . 1 1 55 55 TYR H H 55 8.972 8.972 8.360 0.612 25675 5065 1 11 . 1 1 56 56 ARG N N 56 121.380 121.380 124.451 -3.071 25675 5066 1 11 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.713 -0.430 25675 5067 1 11 . 1 1 56 56 ARG C C 56 175.598 175.598 174.029 1.569 25675 5068 1 11 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.511 0.657 25675 5069 1 11 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.452 -1.699 25675 5070 1 11 . 1 1 56 56 ARG H H 56 8.883 8.883 8.551 0.332 25675 5071 1 11 . 1 1 57 57 ASN N N 57 127.980 127.980 126.106 1.874 25675 5072 1 11 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.298 -0.490 25675 5073 1 11 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.670 0.584 25675 5074 1 11 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.303 -1.562 25675 5075 1 11 . 1 1 57 57 ASN H H 57 8.428 8.428 8.491 -0.063 25675 5076 1 11 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.531 -0.238 25675 5077 1 11 . 1 1 58 58 PRO C C 58 177.241 177.241 176.906 0.335 25675 5078 1 11 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.855 -0.263 25675 5079 1 11 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.970 0.318 25675 5080 1 11 . 1 1 59 59 VAL N N 59 117.104 117.104 114.183 2.921 25675 5081 1 11 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.172 -0.263 25675 5082 1 11 . 1 1 59 59 VAL C C 59 177.077 177.077 176.892 0.185 25675 5083 1 11 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.546 0.176 25675 5084 1 11 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.718 0.243 25675 5085 1 11 . 1 1 59 59 VAL H H 59 7.965 7.965 7.808 0.157 25675 5086 1 11 . 1 1 60 60 SER N N 60 113.119 113.119 114.174 -1.055 25675 5087 1 11 . 1 1 60 60 SER HA H 60 4.427 4.427 4.461 -0.034 25675 5088 1 11 . 1 1 60 60 SER C C 60 175.252 175.252 174.350 0.902 25675 5089 1 11 . 1 1 60 60 SER CA C 60 58.314 58.314 59.442 -1.128 25675 5090 1 11 . 1 1 60 60 SER CB C 60 65.134 65.134 63.684 1.450 25675 5091 1 11 . 1 1 60 60 SER H H 60 7.691 7.691 7.713 -0.022 25675 5092 1 11 . 1 1 61 61 GLN N N 61 115.138 115.138 116.008 -0.870 25675 5093 1 11 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.990 -0.130 25675 5094 1 11 . 1 1 61 61 GLN C C 61 174.882 174.882 175.190 -0.308 25675 5095 1 11 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.007 0.329 25675 5096 1 11 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.058 -0.058 25675 5097 1 11 . 1 1 61 61 GLN H H 61 8.309 8.309 8.275 0.034 25675 5098 1 11 . 1 1 62 62 CYS N N 62 116.568 116.568 117.762 -1.194 25675 5099 1 11 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.550 -0.018 25675 5100 1 11 . 1 1 62 62 CYS C C 62 174.242 174.242 174.226 0.016 25675 5101 1 11 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.225 -0.141 25675 5102 1 11 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.412 -0.156 25675 5103 1 11 . 1 1 62 62 CYS H H 62 7.664 7.664 7.716 -0.052 25675 5104 1 11 . 1 1 63 63 MET N N 63 122.627 122.627 122.793 -0.166 25675 5105 1 11 . 1 1 63 63 MET HA H 63 4.095 4.095 4.726 -0.631 25675 5106 1 11 . 1 1 63 63 MET C C 63 176.437 176.437 175.348 1.089 25675 5107 1 11 . 1 1 63 63 MET CA C 63 54.992 54.992 54.244 0.748 25675 5108 1 11 . 1 1 63 63 MET CB C 63 32.828 32.828 32.671 0.157 25675 5109 1 11 . 1 1 63 63 MET H H 63 8.733 8.733 8.467 0.266 25675 5110 1 11 . 1 1 64 64 ARG N N 64 124.300 124.300 120.612 3.688 25675 5111 1 11 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.224 0.243 25675 5112 1 11 . 1 1 64 64 ARG C C 64 174.618 174.618 175.929 -1.311 25675 5113 1 11 . 1 1 64 64 ARG CA C 64 53.788 53.788 57.416 -3.628 25675 5114 1 11 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.384 2.151 25675 5115 1 11 . 1 1 64 64 ARG H H 64 8.995 8.995 7.879 1.116 25675 5116 1 11 . 1 1 65 65 GLY N N 65 122.716 122.716 105.734 16.982 25675 5117 1 11 . 1 1 65 65 GLY C C 65 174.589 174.589 173.257 1.332 25675 5118 1 11 . 1 1 65 65 GLY H H 65 8.474 8.474 8.455 0.019 25675 5119 1 11 . 1 1 66 66 VAL N N 66 124.050 124.050 120.913 3.137 25675 5120 1 11 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.699 0.496 25675 5121 1 11 . 1 1 66 66 VAL C C 66 176.220 176.220 175.738 0.482 25675 5122 1 11 . 1 1 66 66 VAL CA C 66 62.477 62.477 62.573 -0.096 25675 5123 1 11 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.884 0.793 25675 5124 1 11 . 1 1 66 66 VAL H H 66 8.313 8.313 7.797 0.516 25675 5125 1 11 . 1 1 67 67 ARG N N 67 131.490 131.490 128.030 3.460 25675 5126 1 11 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.552 -0.504 25675 5127 1 11 . 1 1 67 67 ARG C C 67 173.497 173.497 174.416 -0.919 25675 5128 1 11 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.928 3.448 25675 5129 1 11 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.880 -0.948 25675 5130 1 11 . 1 1 67 67 ARG H H 67 9.314 9.314 7.927 1.387 25675 5131 1 11 . 1 1 68 68 LEU N N 68 130.230 130.230 126.488 3.742 25675 5132 1 11 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.629 0.575 25675 5133 1 11 . 1 1 68 68 LEU C C 68 175.950 175.950 174.880 1.070 25675 5134 1 11 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.007 -0.193 25675 5135 1 11 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.611 0.482 25675 5136 1 11 . 1 1 68 68 LEU H H 68 8.299 8.299 8.589 -0.290 25675 5137 1 11 . 1 1 69 69 VAL N N 69 127.090 127.090 126.749 0.341 25675 5138 1 11 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.421 -0.094 25675 5139 1 11 . 1 1 69 69 VAL C C 69 176.155 176.155 175.347 0.808 25675 5140 1 11 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.428 -0.074 25675 5141 1 11 . 1 1 69 69 VAL CB C 69 35.105 35.105 33.968 1.137 25675 5142 1 11 . 1 1 69 69 VAL H H 69 9.044 9.044 8.310 0.734 25675 5143 1 11 . 1 1 70 70 GLU N N 70 128.672 128.672 125.388 3.284 25675 5144 1 11 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.983 -0.067 25675 5145 1 11 . 1 1 70 70 GLU C C 70 175.891 175.891 176.159 -0.268 25675 5146 1 11 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.379 -0.549 25675 5147 1 11 . 1 1 70 70 GLU CB C 70 27.190 27.190 28.346 -1.156 25675 5148 1 11 . 1 1 70 70 GLU H H 70 9.646 9.646 9.307 0.339 25675 5149 1 11 . 1 1 71 71 GLY N N 71 117.967 117.967 102.687 15.280 25675 5150 1 11 . 1 1 71 71 GLY C C 71 173.327 173.327 174.278 -0.951 25675 5151 1 11 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.342 0.706 25675 5152 1 11 . 1 1 71 71 GLY H H 71 8.417 8.417 8.192 0.225 25675 5153 1 11 . 1 1 72 72 ILE N N 72 123.402 123.402 123.996 -0.594 25675 5154 1 11 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.306 -0.069 25675 5155 1 11 . 1 1 72 72 ILE C C 72 174.882 174.882 176.064 -1.182 25675 5156 1 11 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.829 -0.401 25675 5157 1 11 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.961 0.890 25675 5158 1 11 . 1 1 72 72 ILE H H 72 8.124 8.124 7.787 0.337 25675 5159 1 11 . 1 1 73 73 LEU N N 73 129.380 129.380 130.311 -0.931 25675 5160 1 11 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.840 0.359 25675 5161 1 11 . 1 1 73 73 LEU C C 73 175.932 175.932 176.940 -1.008 25675 5162 1 11 . 1 1 73 73 LEU CA C 73 54.245 54.245 54.023 0.222 25675 5163 1 11 . 1 1 73 73 LEU CB C 73 41.882 41.882 39.940 1.942 25675 5164 1 11 . 1 1 73 73 LEU H H 73 9.353 9.353 8.431 0.922 25675 5165 1 11 . 1 1 74 74 HIS N N 74 120.040 120.040 126.945 -6.905 25675 5166 1 11 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.695 -0.084 25675 5167 1 11 . 1 1 74 74 HIS C C 74 172.371 172.371 173.131 -0.760 25675 5168 1 11 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.785 -0.959 25675 5169 1 11 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.155 -1.304 25675 5170 1 11 . 1 1 74 74 HIS H H 74 8.541 8.541 8.850 -0.309 25675 5171 1 11 . 1 1 75 75 ALA N N 75 125.980 125.980 129.238 -3.258 25675 5172 1 11 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.889 -2.140 25675 5173 1 11 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.720 1.217 25675 5174 1 11 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.884 -1.936 25675 5175 1 11 . 1 1 75 75 ALA H H 75 8.413 8.413 8.225 0.188 25675 5176 1 11 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.205 0.077 25675 5177 1 11 . 1 1 76 76 PRO C C 76 176.185 176.185 176.298 -0.113 25675 5178 1 11 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.863 0.418 25675 5179 1 11 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.299 -0.027 25675 5180 1 11 . 1 1 77 77 ASP N N 77 122.297 122.297 115.685 6.612 25675 5181 1 11 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.365 -0.275 25675 5182 1 11 . 1 1 77 77 ASP C C 77 176.977 176.977 176.157 0.820 25675 5183 1 11 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.528 1.976 25675 5184 1 11 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.294 -0.384 25675 5185 1 11 . 1 1 77 77 ASP H H 77 8.454 8.454 8.345 0.109 25675 5186 1 11 . 1 1 78 78 ALA N N 78 118.586 118.586 122.471 -3.885 25675 5187 1 11 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.260 -0.011 25675 5188 1 11 . 1 1 78 78 ALA C C 78 177.458 177.458 177.646 -0.188 25675 5189 1 11 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.443 0.281 25675 5190 1 11 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.030 -1.284 25675 5191 1 11 . 1 1 78 78 ALA H H 78 8.032 8.032 7.627 0.405 25675 5192 1 11 . 1 1 79 79 GLY N N 79 107.830 107.830 105.422 2.408 25675 5193 1 11 . 1 1 79 79 GLY C C 79 172.928 172.928 173.317 -0.389 25675 5194 1 11 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.285 -0.944 25675 5195 1 11 . 1 1 79 79 GLY H H 79 7.902 7.902 7.259 0.643 25675 5196 1 11 . 1 1 80 80 TRP N N 80 119.474 119.474 122.249 -2.775 25675 5197 1 11 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.857 -0.322 25675 5198 1 11 . 1 1 80 80 TRP C C 80 180.190 180.190 177.198 2.992 25675 5199 1 11 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.104 0.566 25675 5200 1 11 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.827 0.259 25675 5201 1 11 . 1 1 80 80 TRP H H 80 8.389 8.389 7.948 0.441 25675 5202 1 11 . 1 1 81 81 GLY N N 81 103.130 103.130 104.544 -1.414 25675 5203 1 11 . 1 1 81 81 GLY C C 81 174.110 174.110 172.866 1.244 25675 5204 1 11 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.779 1.100 25675 5205 1 11 . 1 1 81 81 GLY H H 81 8.519 8.519 8.513 0.006 25675 5206 1 11 . 1 1 82 82 ASN N N 82 120.652 120.652 118.969 1.683 25675 5207 1 11 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.442 -0.366 25675 5208 1 11 . 1 1 82 82 ASN C C 82 175.211 175.211 175.119 0.092 25675 5209 1 11 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.379 -0.394 25675 5210 1 11 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.540 0.117 25675 5211 1 11 . 1 1 82 82 ASN H H 82 8.800 8.800 8.561 0.239 25675 5212 1 11 . 1 1 83 83 LEU N N 83 118.129 118.129 116.026 2.103 25675 5213 1 11 . 1 1 83 83 LEU HA H 83 4.129 4.129 5.032 -0.903 25675 5214 1 11 . 1 1 83 83 LEU C C 83 174.442 174.442 175.992 -1.550 25675 5215 1 11 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.089 1.710 25675 5216 1 11 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.749 -0.892 25675 5217 1 11 . 1 1 83 83 LEU H H 83 6.883 6.883 7.707 -0.824 25675 5218 1 11 . 1 1 84 84 VAL N N 84 118.316 118.316 117.240 1.076 25675 5219 1 11 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.342 -0.287 25675 5220 1 11 . 1 1 84 84 VAL C C 84 174.630 174.630 174.873 -0.243 25675 5221 1 11 . 1 1 84 84 VAL CA C 84 62.443 62.443 62.305 0.138 25675 5222 1 11 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.587 -0.628 25675 5223 1 11 . 1 1 84 84 VAL H H 84 7.835 7.835 7.818 0.017 25675 5224 1 11 . 1 1 85 85 TYR N N 85 128.110 128.110 124.233 3.877 25675 5225 1 11 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.450 -0.753 25675 5226 1 11 . 1 1 85 85 TYR C C 85 174.313 174.313 174.072 0.241 25675 5227 1 11 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.428 3.693 25675 5228 1 11 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.927 -0.387 25675 5229 1 11 . 1 1 85 85 TYR H H 85 8.886 8.886 9.023 -0.137 25675 5230 1 11 . 1 1 86 86 VAL N N 86 122.593 122.593 123.264 -0.671 25675 5231 1 11 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.979 0.776 25675 5232 1 11 . 1 1 86 86 VAL C C 86 176.531 176.531 176.152 0.379 25675 5233 1 11 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.891 -0.892 25675 5234 1 11 . 1 1 86 86 VAL CB C 86 33.419 33.419 33.034 0.385 25675 5235 1 11 . 1 1 86 86 VAL H H 86 9.473 9.473 7.740 1.733 25675 5236 1 11 . 1 1 87 87 VAL N N 87 124.298 124.298 124.296 0.002 25675 5237 1 11 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.122 -0.335 25675 5238 1 11 . 1 1 87 87 VAL C C 87 174.735 174.735 175.087 -0.352 25675 5239 1 11 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.405 1.321 25675 5240 1 11 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.332 0.391 25675 5241 1 11 . 1 1 87 87 VAL H H 87 7.864 7.864 8.117 -0.253 25675 5242 1 11 . 1 1 88 88 ASN N N 88 123.146 123.146 123.475 -0.329 25675 5243 1 11 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.782 -0.008 25675 5244 1 11 . 1 1 88 88 ASN C C 88 172.900 172.900 173.740 -0.840 25675 5245 1 11 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.477 -1.145 25675 5246 1 11 . 1 1 88 88 ASN CB C 88 40.773 40.773 40.772 0.001 25675 5247 1 11 . 1 1 88 88 ASN H H 88 7.786 7.786 7.967 -0.181 25675 5248 1 12 . 1 1 3 3 GLY C C 3 173.761 173.761 173.702 0.059 25675 5249 1 12 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.297 -0.167 25675 5250 1 12 . 1 1 4 4 SER N N 4 115.011 115.011 114.828 0.183 25675 5251 1 12 . 1 1 4 4 SER HA H 4 4.304 4.304 4.733 -0.429 25675 5252 1 12 . 1 1 4 4 SER C C 4 174.600 174.600 173.314 1.286 25675 5253 1 12 . 1 1 4 4 SER CA C 4 57.900 57.900 57.794 0.106 25675 5254 1 12 . 1 1 4 4 SER CB C 4 63.800 63.800 64.154 -0.354 25675 5255 1 12 . 1 1 4 4 SER H H 4 8.185 8.185 8.492 -0.307 25675 5256 1 12 . 1 1 5 5 HIS N N 5 120.326 120.326 120.376 -0.050 25675 5257 1 12 . 1 1 5 5 HIS HA H 5 4.602 4.602 5.073 -0.471 25675 5258 1 12 . 1 1 5 5 HIS C C 5 174.200 174.200 174.116 0.084 25675 5259 1 12 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.428 -0.160 25675 5260 1 12 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.722 -1.722 25675 5261 1 12 . 1 1 5 5 HIS H H 5 8.641 8.641 8.049 0.592 25675 5262 1 12 . 1 1 6 6 HIS N N 6 119.478 119.478 120.265 -0.787 25675 5263 1 12 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.625 0.003 25675 5264 1 12 . 1 1 6 6 HIS C C 6 174.100 174.100 174.660 -0.560 25675 5265 1 12 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.583 -0.315 25675 5266 1 12 . 1 1 6 6 HIS CB C 6 29.300 29.300 31.519 -2.219 25675 5267 1 12 . 1 1 6 6 HIS H H 6 8.555 8.555 8.479 0.076 25675 5268 1 12 . 1 1 7 7 HIS N N 7 120.507 120.507 121.047 -0.540 25675 5269 1 12 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.861 -0.280 25675 5270 1 12 . 1 1 7 7 HIS C C 7 174.100 174.100 173.704 0.396 25675 5271 1 12 . 1 1 7 7 HIS CA C 7 55.268 55.268 54.785 0.483 25675 5272 1 12 . 1 1 7 7 HIS CB C 7 29.300 29.300 31.425 -2.125 25675 5273 1 12 . 1 1 7 7 HIS H H 7 8.777 8.777 7.655 1.122 25675 5274 1 12 . 1 1 8 8 HIS N N 8 120.616 120.616 119.357 1.259 25675 5275 1 12 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.871 -0.271 25675 5276 1 12 . 1 1 8 8 HIS C C 8 174.200 174.200 174.263 -0.063 25675 5277 1 12 . 1 1 8 8 HIS CA C 8 55.268 55.268 55.255 0.013 25675 5278 1 12 . 1 1 8 8 HIS CB C 8 29.300 29.300 31.337 -2.037 25675 5279 1 12 . 1 1 8 8 HIS H H 8 8.777 8.777 7.946 0.831 25675 5280 1 12 . 1 1 9 9 HIS N N 9 121.131 121.131 120.455 0.676 25675 5281 1 12 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.508 0.072 25675 5282 1 12 . 1 1 9 9 HIS C C 9 173.990 173.990 175.328 -1.338 25675 5283 1 12 . 1 1 9 9 HIS CA C 9 55.000 55.000 56.067 -1.067 25675 5284 1 12 . 1 1 9 9 HIS CB C 9 29.400 29.400 30.774 -1.374 25675 5285 1 12 . 1 1 9 9 HIS H H 9 8.785 8.785 8.847 -0.062 25675 5286 1 12 . 1 1 10 10 HIS N N 10 121.437 121.437 119.321 2.116 25675 5287 1 12 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.709 -0.115 25675 5288 1 12 . 1 1 10 10 HIS C C 10 174.577 174.577 176.539 -1.962 25675 5289 1 12 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.938 -0.670 25675 5290 1 12 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.259 -1.359 25675 5291 1 12 . 1 1 10 10 HIS H H 10 8.769 8.769 8.017 0.752 25675 5292 1 12 . 1 1 11 11 GLY N N 11 111.579 111.579 109.330 2.249 25675 5293 1 12 . 1 1 11 11 GLY C C 11 174.184 174.184 174.868 -0.684 25675 5294 1 12 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.929 0.411 25675 5295 1 12 . 1 1 11 11 GLY H H 11 8.559 8.559 7.799 0.760 25675 5296 1 12 . 1 1 12 12 SER N N 12 115.987 115.987 115.289 0.698 25675 5297 1 12 . 1 1 12 12 SER HA H 12 4.407 4.407 4.414 -0.007 25675 5298 1 12 . 1 1 12 12 SER C C 12 174.817 174.817 175.036 -0.219 25675 5299 1 12 . 1 1 12 12 SER CA C 12 58.529 58.529 58.288 0.241 25675 5300 1 12 . 1 1 12 12 SER CB C 12 63.780 63.780 64.391 -0.611 25675 5301 1 12 . 1 1 12 12 SER H H 12 8.353 8.353 8.236 0.117 25675 5302 1 12 . 1 1 13 13 MET N N 13 121.805 121.805 122.381 -0.576 25675 5303 1 12 . 1 1 13 13 MET HA H 13 4.521 4.521 4.737 -0.216 25675 5304 1 12 . 1 1 13 13 MET C C 13 176.003 176.003 175.255 0.748 25675 5305 1 12 . 1 1 13 13 MET CA C 13 55.503 55.503 55.339 0.164 25675 5306 1 12 . 1 1 13 13 MET CB C 13 32.843 32.843 34.115 -1.272 25675 5307 1 12 . 1 1 13 13 MET H H 13 8.432 8.432 8.330 0.102 25675 5308 1 12 . 1 1 14 14 SER N N 14 116.515 116.515 115.991 0.524 25675 5309 1 12 . 1 1 14 14 SER HA H 14 4.265 4.265 4.670 -0.405 25675 5310 1 12 . 1 1 14 14 SER C C 14 174.055 174.055 173.921 0.134 25675 5311 1 12 . 1 1 14 14 SER H H 14 8.205 8.205 8.230 -0.025 25675 5312 1 12 . 1 1 15 15 GLU N N 15 122.455 122.455 120.331 2.124 25675 5313 1 12 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.720 -0.485 25675 5314 1 12 . 1 1 15 15 GLU C C 15 174.900 174.900 175.025 -0.125 25675 5315 1 12 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.646 -0.018 25675 5316 1 12 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.520 -1.295 25675 5317 1 12 . 1 1 15 15 GLU H H 15 8.292 8.292 8.864 -0.572 25675 5318 1 12 . 1 1 16 16 TYR N N 16 118.896 118.896 114.622 4.274 25675 5319 1 12 . 1 1 16 16 TYR HA H 16 5.061 5.061 5.031 0.030 25675 5320 1 12 . 1 1 16 16 TYR C C 16 174.935 174.935 174.388 0.547 25675 5321 1 12 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.969 0.743 25675 5322 1 12 . 1 1 16 16 TYR CB C 16 41.507 41.507 41.546 -0.039 25675 5323 1 12 . 1 1 16 16 TYR H H 16 7.955 7.955 7.908 0.047 25675 5324 1 12 . 1 1 17 17 ILE N N 17 115.711 115.711 121.445 -5.734 25675 5325 1 12 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.360 0.189 25675 5326 1 12 . 1 1 17 17 ILE C C 17 174.747 174.747 173.990 0.757 25675 5327 1 12 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.822 -0.380 25675 5328 1 12 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.304 0.555 25675 5329 1 12 . 1 1 17 17 ILE H H 17 8.890 8.890 8.032 0.858 25675 5330 1 12 . 1 1 18 18 ARG N N 18 123.175 123.175 129.255 -6.080 25675 5331 1 12 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.509 -0.629 25675 5332 1 12 . 1 1 18 18 ARG C C 18 174.988 174.988 175.249 -0.261 25675 5333 1 12 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.159 1.685 25675 5334 1 12 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.312 0.418 25675 5335 1 12 . 1 1 18 18 ARG H H 18 8.636 8.636 8.323 0.313 25675 5336 1 12 . 1 1 19 19 VAL N N 19 122.554 122.554 120.431 2.123 25675 5337 1 12 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.606 -0.142 25675 5338 1 12 . 1 1 19 19 VAL C C 19 173.984 173.984 174.767 -0.783 25675 5339 1 12 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.932 -0.038 25675 5340 1 12 . 1 1 19 19 VAL CB C 19 35.709 35.709 36.093 -0.384 25675 5341 1 12 . 1 1 19 19 VAL H H 19 8.916 8.916 8.175 0.741 25675 5342 1 12 . 1 1 20 20 THR N N 20 118.638 118.638 115.027 3.611 25675 5343 1 12 . 1 1 20 20 THR HA H 20 5.081 5.081 4.891 0.190 25675 5344 1 12 . 1 1 20 20 THR C C 20 172.312 172.312 174.632 -2.320 25675 5345 1 12 . 1 1 20 20 THR CA C 20 57.731 57.731 59.555 -1.824 25675 5346 1 12 . 1 1 20 20 THR CB C 20 71.835 71.835 71.669 0.166 25675 5347 1 12 . 1 1 20 20 THR H H 20 8.794 8.794 8.252 0.542 25675 5348 1 12 . 1 1 21 21 GLU N N 21 124.307 124.307 125.950 -1.643 25675 5349 1 12 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.408 0.766 25675 5350 1 12 . 1 1 21 21 GLU C C 21 175.258 175.258 175.995 -0.737 25675 5351 1 12 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.933 -2.033 25675 5352 1 12 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.211 -1.259 25675 5353 1 12 . 1 1 21 21 GLU H H 21 8.792 8.792 8.923 -0.131 25675 5354 1 12 . 1 1 22 22 ASP N N 22 117.282 117.282 118.564 -1.282 25675 5355 1 12 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.790 -0.186 25675 5356 1 12 . 1 1 22 22 ASP C C 22 175.387 175.387 176.767 -1.380 25675 5357 1 12 . 1 1 22 22 ASP CA C 22 53.465 53.465 52.410 1.055 25675 5358 1 12 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.047 -0.172 25675 5359 1 12 . 1 1 22 22 ASP H H 22 7.932 7.932 8.414 -0.482 25675 5360 1 12 . 1 1 23 23 GLU N N 23 123.785 123.785 121.805 1.980 25675 5361 1 12 . 1 1 23 23 GLU HA H 23 3.938 3.938 3.949 -0.011 25675 5362 1 12 . 1 1 23 23 GLU C C 23 176.062 176.062 176.589 -0.527 25675 5363 1 12 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.714 0.728 25675 5364 1 12 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.060 0.376 25675 5365 1 12 . 1 1 23 23 GLU H H 23 9.232 9.232 8.762 0.470 25675 5366 1 12 . 1 1 24 24 ASN N N 24 115.807 115.807 116.543 -0.736 25675 5367 1 12 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.603 0.085 25675 5368 1 12 . 1 1 24 24 ASN C C 24 174.636 174.636 174.955 -0.319 25675 5369 1 12 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.517 -0.619 25675 5370 1 12 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.683 0.220 25675 5371 1 12 . 1 1 24 24 ASN H H 24 8.694 8.694 8.155 0.539 25675 5372 1 12 . 1 1 25 25 ASP N N 25 119.629 119.629 120.174 -0.545 25675 5373 1 12 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.795 0.160 25675 5374 1 12 . 1 1 25 25 ASP C C 25 175.269 175.269 175.480 -0.211 25675 5375 1 12 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.350 -1.160 25675 5376 1 12 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.344 -1.552 25675 5377 1 12 . 1 1 25 25 ASP H H 25 7.987 7.987 7.716 0.271 25675 5378 1 12 . 1 1 26 26 GLU N N 26 123.692 123.692 121.746 1.946 25675 5379 1 12 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.295 0.227 25675 5380 1 12 . 1 1 26 26 GLU CA C 26 54.120 54.120 55.648 -1.528 25675 5381 1 12 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.526 -0.628 25675 5382 1 12 . 1 1 26 26 GLU H H 26 8.718 8.718 8.601 0.117 25675 5383 1 12 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.484 0.245 25675 5384 1 12 . 1 1 27 27 PRO C C 27 176.126 176.126 175.819 0.307 25675 5385 1 12 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.990 -0.639 25675 5386 1 12 . 1 1 27 27 PRO CB C 27 33.519 33.519 32.095 1.424 25675 5387 1 12 . 1 1 28 28 ILE N N 28 118.646 118.646 123.981 -5.335 25675 5388 1 12 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.340 0.134 25675 5389 1 12 . 1 1 28 28 ILE C C 28 175.181 175.181 174.043 1.138 25675 5390 1 12 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.654 -0.205 25675 5391 1 12 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.530 0.096 25675 5392 1 12 . 1 1 28 28 ILE H H 28 9.244 9.244 7.940 1.304 25675 5393 1 12 . 1 1 29 29 GLU N N 29 120.763 120.763 126.861 -6.098 25675 5394 1 12 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.100 -0.195 25675 5395 1 12 . 1 1 29 29 GLU C C 29 175.739 175.739 175.415 0.324 25675 5396 1 12 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.507 0.781 25675 5397 1 12 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.485 -1.445 25675 5398 1 12 . 1 1 29 29 GLU H H 29 8.220 8.220 8.404 -0.184 25675 5399 1 12 . 1 1 30 30 ILE N N 30 124.950 124.950 118.733 6.217 25675 5400 1 12 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.758 -0.012 25675 5401 1 12 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.487 -1.773 25675 5402 1 12 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.400 -0.547 25675 5403 1 12 . 1 1 30 30 ILE H H 30 9.307 9.307 8.344 0.963 25675 5404 1 12 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.599 -0.216 25675 5405 1 12 . 1 1 31 31 PRO C C 31 175.768 175.768 176.338 -0.570 25675 5406 1 12 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.813 -0.031 25675 5407 1 12 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.163 0.204 25675 5408 1 12 . 1 1 32 32 SER N N 32 114.522 114.522 115.619 -1.097 25675 5409 1 12 . 1 1 32 32 SER HA H 32 4.567 4.567 4.686 -0.119 25675 5410 1 12 . 1 1 32 32 SER C C 32 175.170 175.170 173.183 1.987 25675 5411 1 12 . 1 1 32 32 SER CA C 32 56.211 56.211 56.546 -0.335 25675 5412 1 12 . 1 1 32 32 SER CB C 32 65.701 65.701 66.164 -0.463 25675 5413 1 12 . 1 1 32 32 SER H H 32 7.835 7.835 8.257 -0.422 25675 5414 1 12 . 1 1 33 33 GLU N N 33 118.001 118.001 120.288 -2.287 25675 5415 1 12 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.275 0.018 25675 5416 1 12 . 1 1 33 33 GLU C C 33 178.843 178.843 177.899 0.944 25675 5417 1 12 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.104 -0.511 25675 5418 1 12 . 1 1 33 33 GLU H H 33 9.229 9.229 8.354 0.875 25675 5419 1 12 . 1 1 34 34 ASP N N 34 122.097 122.097 122.024 0.073 25675 5420 1 12 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.473 -0.201 25675 5421 1 12 . 1 1 34 34 ASP C C 34 175.680 175.680 177.350 -1.670 25675 5422 1 12 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.667 0.295 25675 5423 1 12 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.775 -0.689 25675 5424 1 12 . 1 1 34 34 ASP H H 34 9.067 9.067 8.932 0.135 25675 5425 1 12 . 1 1 35 35 ASP N N 35 115.678 115.678 117.954 -2.276 25675 5426 1 12 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.504 -0.009 25675 5427 1 12 . 1 1 35 35 ASP C C 35 177.470 177.470 177.030 0.440 25675 5428 1 12 . 1 1 35 35 ASP CA C 35 52.916 52.916 54.533 -1.617 25675 5429 1 12 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.963 -1.150 25675 5430 1 12 . 1 1 35 35 ASP H H 35 7.701 7.701 8.335 -0.634 25675 5431 1 12 . 1 1 36 36 GLY N N 36 107.781 107.781 106.574 1.207 25675 5432 1 12 . 1 1 36 36 GLY C C 36 175.387 175.387 174.201 1.186 25675 5433 1 12 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.164 0.362 25675 5434 1 12 . 1 1 36 36 GLY H H 36 8.211 8.211 7.791 0.420 25675 5435 1 12 . 1 1 37 37 THR N N 37 113.224 113.224 113.143 0.081 25675 5436 1 12 . 1 1 37 37 THR HA H 37 4.787 4.787 4.948 -0.161 25675 5437 1 12 . 1 1 37 37 THR C C 37 175.874 175.874 173.885 1.989 25675 5438 1 12 . 1 1 37 37 THR CA C 37 61.569 61.569 61.507 0.062 25675 5439 1 12 . 1 1 37 37 THR CB C 37 71.292 71.292 70.800 0.492 25675 5440 1 12 . 1 1 37 37 THR H H 37 7.890 7.890 7.743 0.147 25675 5441 1 12 . 1 1 38 38 VAL N N 38 117.698 117.698 119.802 -2.104 25675 5442 1 12 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.375 -0.028 25675 5443 1 12 . 1 1 38 38 VAL C C 38 175.187 175.187 174.231 0.956 25675 5444 1 12 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.067 -0.030 25675 5445 1 12 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.350 0.124 25675 5446 1 12 . 1 1 38 38 VAL H H 38 8.382 8.382 8.362 0.020 25675 5447 1 12 . 1 1 39 39 LEU N N 39 126.182 126.182 126.793 -0.611 25675 5448 1 12 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.287 0.212 25675 5449 1 12 . 1 1 39 39 LEU C C 39 178.655 178.655 177.674 0.981 25675 5450 1 12 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.391 -0.397 25675 5451 1 12 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.816 -2.156 25675 5452 1 12 . 1 1 39 39 LEU H H 39 8.516 8.516 8.686 -0.170 25675 5453 1 12 . 1 1 40 40 LEU N N 40 125.652 125.652 125.035 0.617 25675 5454 1 12 . 1 1 40 40 LEU HA H 40 3.973 3.973 3.988 -0.015 25675 5455 1 12 . 1 1 40 40 LEU C C 40 178.620 178.620 178.603 0.017 25675 5456 1 12 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.759 0.497 25675 5457 1 12 . 1 1 40 40 LEU CB C 40 40.998 40.998 42.067 -1.069 25675 5458 1 12 . 1 1 40 40 LEU H H 40 8.666 8.666 8.890 -0.224 25675 5459 1 12 . 1 1 41 41 SER N N 41 112.797 112.797 112.190 0.607 25675 5460 1 12 . 1 1 41 41 SER HA H 41 4.359 4.359 4.221 0.138 25675 5461 1 12 . 1 1 41 41 SER C C 41 176.760 176.760 176.006 0.754 25675 5462 1 12 . 1 1 41 41 SER CA C 41 60.390 60.390 60.825 -0.435 25675 5463 1 12 . 1 1 41 41 SER CB C 41 62.032 62.032 62.956 -0.924 25675 5464 1 12 . 1 1 41 41 SER H H 41 8.758 8.758 8.225 0.533 25675 5465 1 12 . 1 1 42 42 THR N N 42 121.066 121.066 118.229 2.837 25675 5466 1 12 . 1 1 42 42 THR HA H 42 3.993 3.993 4.227 -0.234 25675 5467 1 12 . 1 1 42 42 THR C C 42 176.226 176.226 175.793 0.433 25675 5468 1 12 . 1 1 42 42 THR CA C 42 65.206 65.206 64.603 0.603 25675 5469 1 12 . 1 1 42 42 THR CB C 42 67.912 67.912 68.904 -0.993 25675 5470 1 12 . 1 1 42 42 THR H H 42 7.461 7.461 7.422 0.039 25675 5471 1 12 . 1 1 43 43 VAL N N 43 120.996 120.996 121.547 -0.551 25675 5472 1 12 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.716 -0.122 25675 5473 1 12 . 1 1 43 43 VAL C C 43 178.796 178.796 177.515 1.281 25675 5474 1 12 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.806 0.002 25675 5475 1 12 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.796 0.044 25675 5476 1 12 . 1 1 43 43 VAL H H 43 7.288 7.288 7.388 -0.100 25675 5477 1 12 . 1 1 44 44 THR N N 44 113.305 113.305 111.013 2.292 25675 5478 1 12 . 1 1 44 44 THR HA H 44 4.202 4.202 4.285 -0.083 25675 5479 1 12 . 1 1 44 44 THR C C 44 176.337 176.337 175.502 0.835 25675 5480 1 12 . 1 1 44 44 THR CA C 44 64.358 64.358 64.650 -0.292 25675 5481 1 12 . 1 1 44 44 THR CB C 44 68.969 68.969 68.767 0.202 25675 5482 1 12 . 1 1 44 44 THR H H 44 9.189 9.189 7.790 1.399 25675 5483 1 12 . 1 1 45 45 ALA N N 45 121.618 121.618 124.035 -2.417 25675 5484 1 12 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.094 -0.045 25675 5485 1 12 . 1 1 45 45 ALA C C 45 178.685 178.685 178.746 -0.061 25675 5486 1 12 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.613 0.013 25675 5487 1 12 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.837 -0.560 25675 5488 1 12 . 1 1 45 45 ALA H H 45 7.274 7.274 7.774 -0.500 25675 5489 1 12 . 1 1 46 46 GLN N N 46 112.595 112.595 114.491 -1.896 25675 5490 1 12 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.290 -0.160 25675 5491 1 12 . 1 1 46 46 GLN C C 46 174.823 174.823 175.507 -0.684 25675 5492 1 12 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.556 -0.306 25675 5493 1 12 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.095 -0.175 25675 5494 1 12 . 1 1 46 46 GLN H H 46 6.860 6.860 7.643 -0.783 25675 5495 1 12 . 1 1 47 47 PHE N N 47 118.197 118.197 118.936 -0.739 25675 5496 1 12 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.079 -0.114 25675 5497 1 12 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.783 0.958 25675 5498 1 12 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.306 0.308 25675 5499 1 12 . 1 1 47 47 PHE H H 47 8.344 8.344 7.692 0.652 25675 5500 1 12 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.506 -0.066 25675 5501 1 12 . 1 1 48 48 PRO C C 48 178.626 178.626 177.710 0.916 25675 5502 1 12 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.566 0.774 25675 5503 1 12 . 1 1 48 48 PRO CB C 48 31.446 31.446 32.212 -0.765 25675 5504 1 12 . 1 1 49 49 GLY N N 49 111.697 111.697 110.732 0.965 25675 5505 1 12 . 1 1 49 49 GLY C C 49 174.307 174.307 174.061 0.246 25675 5506 1 12 . 1 1 49 49 GLY CA C 49 44.761 44.761 45.089 -0.328 25675 5507 1 12 . 1 1 49 49 GLY H H 49 8.849 8.849 8.718 0.131 25675 5508 1 12 . 1 1 50 50 ALA N N 50 122.602 122.602 121.696 0.906 25675 5509 1 12 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.647 -0.819 25675 5510 1 12 . 1 1 50 50 ALA C C 50 177.534 177.534 176.267 1.267 25675 5511 1 12 . 1 1 50 50 ALA CA C 50 53.406 53.406 51.834 1.572 25675 5512 1 12 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.665 1.725 25675 5513 1 12 . 1 1 50 50 ALA H H 50 8.032 8.032 7.572 0.460 25675 5514 1 12 . 1 1 51 51 CYS N N 51 114.410 114.410 124.238 -9.828 25675 5515 1 12 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.567 -0.022 25675 5516 1 12 . 1 1 51 51 CYS C C 51 174.248 174.248 175.125 -0.877 25675 5517 1 12 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.491 -2.084 25675 5518 1 12 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.446 0.367 25675 5519 1 12 . 1 1 51 51 CYS H H 51 9.094 9.094 8.318 0.776 25675 5520 1 12 . 1 1 52 52 GLY N N 52 106.620 106.620 108.655 -2.035 25675 5521 1 12 . 1 1 52 52 GLY C C 52 170.769 170.769 172.245 -1.476 25675 5522 1 12 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.504 0.457 25675 5523 1 12 . 1 1 52 52 GLY H H 52 7.467 7.467 8.149 -0.682 25675 5524 1 12 . 1 1 53 53 LEU N N 53 117.961 117.961 123.129 -5.168 25675 5525 1 12 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.248 0.097 25675 5526 1 12 . 1 1 53 53 LEU C C 53 175.563 175.563 176.604 -1.041 25675 5527 1 12 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.357 1.295 25675 5528 1 12 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.886 4.699 25675 5529 1 12 . 1 1 53 53 LEU H H 53 8.900 8.900 8.430 0.470 25675 5530 1 12 . 1 1 54 54 ARG N N 54 119.739 119.739 120.704 -0.965 25675 5531 1 12 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.441 1.170 25675 5532 1 12 . 1 1 54 54 ARG C C 54 173.638 173.638 174.577 -0.939 25675 5533 1 12 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.418 0.029 25675 5534 1 12 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.252 0.286 25675 5535 1 12 . 1 1 54 54 ARG H H 54 9.493 9.493 8.337 1.156 25675 5536 1 12 . 1 1 55 55 TYR N N 55 115.879 115.879 118.309 -2.430 25675 5537 1 12 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.766 0.022 25675 5538 1 12 . 1 1 55 55 TYR C C 55 172.417 172.417 175.280 -2.863 25675 5539 1 12 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.979 -1.986 25675 5540 1 12 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.114 0.987 25675 5541 1 12 . 1 1 55 55 TYR H H 55 8.972 8.972 8.173 0.799 25675 5542 1 12 . 1 1 56 56 ARG N N 56 121.380 121.380 124.624 -3.244 25675 5543 1 12 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.753 -0.470 25675 5544 1 12 . 1 1 56 56 ARG C C 56 175.598 175.598 174.118 1.480 25675 5545 1 12 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.544 0.624 25675 5546 1 12 . 1 1 56 56 ARG CB C 56 30.753 30.753 31.871 -1.118 25675 5547 1 12 . 1 1 56 56 ARG H H 56 8.883 8.883 8.760 0.123 25675 5548 1 12 . 1 1 57 57 ASN N N 57 127.980 127.980 125.299 2.681 25675 5549 1 12 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.201 -0.393 25675 5550 1 12 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.588 0.667 25675 5551 1 12 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.080 -1.339 25675 5552 1 12 . 1 1 57 57 ASN H H 57 8.428 8.428 8.740 -0.312 25675 5553 1 12 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.456 -0.163 25675 5554 1 12 . 1 1 58 58 PRO C C 58 177.241 177.241 176.895 0.346 25675 5555 1 12 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.516 0.076 25675 5556 1 12 . 1 1 58 58 PRO CB C 58 32.288 32.288 32.114 0.174 25675 5557 1 12 . 1 1 59 59 VAL N N 59 117.104 117.104 111.161 5.943 25675 5558 1 12 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.194 -0.285 25675 5559 1 12 . 1 1 59 59 VAL C C 59 177.077 177.077 176.646 0.431 25675 5560 1 12 . 1 1 59 59 VAL CA C 59 64.722 64.722 63.809 0.913 25675 5561 1 12 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.758 0.203 25675 5562 1 12 . 1 1 59 59 VAL H H 59 7.965 7.965 7.810 0.155 25675 5563 1 12 . 1 1 60 60 SER N N 60 113.119 113.119 115.456 -2.337 25675 5564 1 12 . 1 1 60 60 SER HA H 60 4.427 4.427 4.415 0.012 25675 5565 1 12 . 1 1 60 60 SER C C 60 175.252 175.252 174.340 0.912 25675 5566 1 12 . 1 1 60 60 SER CA C 60 58.314 58.314 59.250 -0.936 25675 5567 1 12 . 1 1 60 60 SER CB C 60 65.134 65.134 64.051 1.083 25675 5568 1 12 . 1 1 60 60 SER H H 60 7.691 7.691 7.435 0.256 25675 5569 1 12 . 1 1 61 61 GLN N N 61 115.138 115.138 115.793 -0.655 25675 5570 1 12 . 1 1 61 61 GLN HA H 61 3.860 3.860 4.016 -0.156 25675 5571 1 12 . 1 1 61 61 GLN C C 61 174.882 174.882 175.084 -0.202 25675 5572 1 12 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.005 0.330 25675 5573 1 12 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.170 -0.170 25675 5574 1 12 . 1 1 61 61 GLN H H 61 8.309 8.309 7.950 0.359 25675 5575 1 12 . 1 1 62 62 CYS N N 62 116.568 116.568 117.293 -0.725 25675 5576 1 12 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.746 -0.214 25675 5577 1 12 . 1 1 62 62 CYS C C 62 174.242 174.242 173.830 0.412 25675 5578 1 12 . 1 1 62 62 CYS CA C 62 58.084 58.084 57.846 0.238 25675 5579 1 12 . 1 1 62 62 CYS CB C 62 29.256 29.256 30.346 -1.090 25675 5580 1 12 . 1 1 62 62 CYS H H 62 7.664 7.664 7.939 -0.275 25675 5581 1 12 . 1 1 63 63 MET N N 63 122.627 122.627 119.613 3.014 25675 5582 1 12 . 1 1 63 63 MET HA H 63 4.095 4.095 4.831 -0.736 25675 5583 1 12 . 1 1 63 63 MET C C 63 176.437 176.437 174.846 1.591 25675 5584 1 12 . 1 1 63 63 MET CA C 63 54.992 54.992 55.179 -0.187 25675 5585 1 12 . 1 1 63 63 MET CB C 63 32.828 32.828 33.606 -0.778 25675 5586 1 12 . 1 1 63 63 MET H H 63 8.733 8.733 8.343 0.390 25675 5587 1 12 . 1 1 64 64 ARG N N 64 124.300 124.300 123.265 1.035 25675 5588 1 12 . 1 1 64 64 ARG HA H 64 4.467 4.467 5.057 -0.590 25675 5589 1 12 . 1 1 64 64 ARG C C 64 174.618 174.618 175.252 -0.634 25675 5590 1 12 . 1 1 64 64 ARG CA C 64 53.788 53.788 54.866 -1.078 25675 5591 1 12 . 1 1 64 64 ARG CB C 64 33.535 33.535 33.617 -0.082 25675 5592 1 12 . 1 1 64 64 ARG H H 64 8.995 8.995 8.919 0.076 25675 5593 1 12 . 1 1 65 65 GLY N N 65 122.716 122.716 108.001 14.715 25675 5594 1 12 . 1 1 65 65 GLY C C 65 174.589 174.589 173.078 1.511 25675 5595 1 12 . 1 1 65 65 GLY H H 65 8.474 8.474 8.392 0.082 25675 5596 1 12 . 1 1 66 66 VAL N N 66 124.050 124.050 121.079 2.971 25675 5597 1 12 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.665 0.530 25675 5598 1 12 . 1 1 66 66 VAL C C 66 176.220 176.220 175.327 0.893 25675 5599 1 12 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.078 -0.600 25675 5600 1 12 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.454 0.223 25675 5601 1 12 . 1 1 66 66 VAL H H 66 8.313 8.313 7.840 0.473 25675 5602 1 12 . 1 1 67 67 ARG N N 67 131.490 131.490 128.069 3.421 25675 5603 1 12 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.535 -0.487 25675 5604 1 12 . 1 1 67 67 ARG C C 67 173.497 173.497 174.176 -0.679 25675 5605 1 12 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.009 3.367 25675 5606 1 12 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.780 -0.848 25675 5607 1 12 . 1 1 67 67 ARG H H 67 9.314 9.314 7.902 1.412 25675 5608 1 12 . 1 1 68 68 LEU N N 68 130.230 130.230 126.921 3.309 25675 5609 1 12 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.620 0.584 25675 5610 1 12 . 1 1 68 68 LEU C C 68 175.950 175.950 174.751 1.199 25675 5611 1 12 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.005 -0.191 25675 5612 1 12 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.685 0.408 25675 5613 1 12 . 1 1 68 68 LEU H H 68 8.299 8.299 8.573 -0.274 25675 5614 1 12 . 1 1 69 69 VAL N N 69 127.090 127.090 127.060 0.030 25675 5615 1 12 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.426 -0.099 25675 5616 1 12 . 1 1 69 69 VAL C C 69 176.155 176.155 175.174 0.981 25675 5617 1 12 . 1 1 69 69 VAL CA C 69 61.354 61.354 60.951 0.403 25675 5618 1 12 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.401 0.704 25675 5619 1 12 . 1 1 69 69 VAL H H 69 9.044 9.044 8.494 0.550 25675 5620 1 12 . 1 1 70 70 GLU N N 70 128.672 128.672 125.962 2.710 25675 5621 1 12 . 1 1 70 70 GLU HA H 70 3.916 3.916 4.016 -0.100 25675 5622 1 12 . 1 1 70 70 GLU C C 70 175.891 175.891 176.531 -0.640 25675 5623 1 12 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.242 -0.412 25675 5624 1 12 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.741 -0.551 25675 5625 1 12 . 1 1 70 70 GLU H H 70 9.646 9.646 9.240 0.406 25675 5626 1 12 . 1 1 71 71 GLY N N 71 117.967 117.967 101.746 16.221 25675 5627 1 12 . 1 1 71 71 GLY C C 71 173.327 173.327 173.844 -0.517 25675 5628 1 12 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.380 0.668 25675 5629 1 12 . 1 1 71 71 GLY H H 71 8.417 8.417 8.219 0.198 25675 5630 1 12 . 1 1 72 72 ILE N N 72 123.402 123.402 123.415 -0.013 25675 5631 1 12 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.322 -0.085 25675 5632 1 12 . 1 1 72 72 ILE C C 72 174.882 174.882 176.034 -1.152 25675 5633 1 12 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.868 -0.440 25675 5634 1 12 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.792 1.059 25675 5635 1 12 . 1 1 72 72 ILE H H 72 8.124 8.124 7.692 0.432 25675 5636 1 12 . 1 1 73 73 LEU N N 73 129.380 129.380 130.272 -0.892 25675 5637 1 12 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.824 0.375 25675 5638 1 12 . 1 1 73 73 LEU C C 73 175.932 175.932 176.911 -0.979 25675 5639 1 12 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.997 0.248 25675 5640 1 12 . 1 1 73 73 LEU CB C 73 41.882 41.882 39.881 2.001 25675 5641 1 12 . 1 1 73 73 LEU H H 73 9.353 9.353 8.749 0.604 25675 5642 1 12 . 1 1 74 74 HIS N N 74 120.040 120.040 126.838 -6.798 25675 5643 1 12 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.700 -0.089 25675 5644 1 12 . 1 1 74 74 HIS C C 74 172.371 172.371 173.121 -0.750 25675 5645 1 12 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.718 -0.892 25675 5646 1 12 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.206 -1.355 25675 5647 1 12 . 1 1 74 74 HIS H H 74 8.541 8.541 8.681 -0.140 25675 5648 1 12 . 1 1 75 75 ALA N N 75 125.980 125.980 129.038 -3.058 25675 5649 1 12 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.756 -2.007 25675 5650 1 12 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.838 1.099 25675 5651 1 12 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.609 -1.661 25675 5652 1 12 . 1 1 75 75 ALA H H 75 8.413 8.413 8.170 0.243 25675 5653 1 12 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.198 0.084 25675 5654 1 12 . 1 1 76 76 PRO C C 76 176.185 176.185 176.048 0.137 25675 5655 1 12 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.757 0.524 25675 5656 1 12 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.279 -0.007 25675 5657 1 12 . 1 1 77 77 ASP N N 77 122.297 122.297 116.860 5.437 25675 5658 1 12 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.437 -0.347 25675 5659 1 12 . 1 1 77 77 ASP C C 77 176.977 176.977 176.774 0.203 25675 5660 1 12 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.424 2.080 25675 5661 1 12 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.110 -0.200 25675 5662 1 12 . 1 1 77 77 ASP H H 77 8.454 8.454 8.337 0.117 25675 5663 1 12 . 1 1 78 78 ALA N N 78 118.586 118.586 120.972 -2.386 25675 5664 1 12 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.334 -0.085 25675 5665 1 12 . 1 1 78 78 ALA C C 78 177.458 177.458 177.772 -0.314 25675 5666 1 12 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.440 0.284 25675 5667 1 12 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.113 -1.367 25675 5668 1 12 . 1 1 78 78 ALA H H 78 8.032 8.032 7.618 0.414 25675 5669 1 12 . 1 1 79 79 GLY N N 79 107.830 107.830 105.446 2.384 25675 5670 1 12 . 1 1 79 79 GLY C C 79 172.928 172.928 174.176 -1.248 25675 5671 1 12 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.264 -0.923 25675 5672 1 12 . 1 1 79 79 GLY H H 79 7.902 7.902 7.298 0.604 25675 5673 1 12 . 1 1 80 80 TRP N N 80 119.474 119.474 123.381 -3.907 25675 5674 1 12 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.964 -0.429 25675 5675 1 12 . 1 1 80 80 TRP C C 80 180.190 180.190 177.507 2.683 25675 5676 1 12 . 1 1 80 80 TRP CA C 80 58.670 58.670 57.962 0.708 25675 5677 1 12 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.400 0.686 25675 5678 1 12 . 1 1 80 80 TRP H H 80 8.389 8.389 8.566 -0.177 25675 5679 1 12 . 1 1 81 81 GLY N N 81 103.130 103.130 104.647 -1.517 25675 5680 1 12 . 1 1 81 81 GLY C C 81 174.110 174.110 172.729 1.381 25675 5681 1 12 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.750 1.129 25675 5682 1 12 . 1 1 81 81 GLY H H 81 8.519 8.519 8.537 -0.018 25675 5683 1 12 . 1 1 82 82 ASN N N 82 120.652 120.652 118.435 2.217 25675 5684 1 12 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.447 -0.371 25675 5685 1 12 . 1 1 82 82 ASN C C 82 175.211 175.211 175.085 0.126 25675 5686 1 12 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.452 -0.467 25675 5687 1 12 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.919 -0.262 25675 5688 1 12 . 1 1 82 82 ASN H H 82 8.800 8.800 8.579 0.221 25675 5689 1 12 . 1 1 83 83 LEU N N 83 118.129 118.129 115.816 2.313 25675 5690 1 12 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.904 -0.775 25675 5691 1 12 . 1 1 83 83 LEU C C 83 174.442 174.442 175.951 -1.509 25675 5692 1 12 . 1 1 83 83 LEU CA C 83 54.799 54.799 52.821 1.978 25675 5693 1 12 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.926 -1.069 25675 5694 1 12 . 1 1 83 83 LEU H H 83 6.883 6.883 7.693 -0.810 25675 5695 1 12 . 1 1 84 84 VAL N N 84 118.316 118.316 117.045 1.271 25675 5696 1 12 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.373 -0.318 25675 5697 1 12 . 1 1 84 84 VAL C C 84 174.630 174.630 175.019 -0.389 25675 5698 1 12 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.180 1.263 25675 5699 1 12 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.257 -0.298 25675 5700 1 12 . 1 1 84 84 VAL H H 84 7.835 7.835 7.833 0.002 25675 5701 1 12 . 1 1 85 85 TYR N N 85 128.110 128.110 123.294 4.816 25675 5702 1 12 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.390 -0.693 25675 5703 1 12 . 1 1 85 85 TYR C C 85 174.313 174.313 173.761 0.552 25675 5704 1 12 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.537 3.584 25675 5705 1 12 . 1 1 85 85 TYR CB C 85 40.540 40.540 41.210 -0.670 25675 5706 1 12 . 1 1 85 85 TYR H H 85 8.886 8.886 9.090 -0.204 25675 5707 1 12 . 1 1 86 86 VAL N N 86 122.593 122.593 123.790 -1.197 25675 5708 1 12 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.995 0.760 25675 5709 1 12 . 1 1 86 86 VAL C C 86 176.531 176.531 175.900 0.631 25675 5710 1 12 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.643 -0.644 25675 5711 1 12 . 1 1 86 86 VAL CB C 86 33.419 33.419 33.332 0.087 25675 5712 1 12 . 1 1 86 86 VAL H H 86 9.473 9.473 7.846 1.627 25675 5713 1 12 . 1 1 87 87 VAL N N 87 124.298 124.298 124.423 -0.125 25675 5714 1 12 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.048 -0.261 25675 5715 1 12 . 1 1 87 87 VAL C C 87 174.735 174.735 174.986 -0.251 25675 5716 1 12 . 1 1 87 87 VAL CA C 87 63.726 63.726 61.784 1.942 25675 5717 1 12 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.941 0.782 25675 5718 1 12 . 1 1 87 87 VAL H H 87 7.864 7.864 8.188 -0.324 25675 5719 1 12 . 1 1 88 88 ASN N N 88 123.146 123.146 123.842 -0.696 25675 5720 1 12 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.775 -0.001 25675 5721 1 12 . 1 1 88 88 ASN C C 88 172.900 172.900 173.716 -0.816 25675 5722 1 12 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.552 -1.220 25675 5723 1 12 . 1 1 88 88 ASN CB C 88 40.773 40.773 41.140 -0.367 25675 5724 1 12 . 1 1 88 88 ASN H H 88 7.786 7.786 8.003 -0.217 25675 5725 1 13 . 1 1 3 3 GLY C C 3 173.761 173.761 174.804 -1.043 25675 5726 1 13 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.151 -0.021 25675 5727 1 13 . 1 1 4 4 SER N N 4 115.011 115.011 116.653 -1.642 25675 5728 1 13 . 1 1 4 4 SER HA H 4 4.304 4.304 4.511 -0.207 25675 5729 1 13 . 1 1 4 4 SER C C 4 174.600 174.600 173.435 1.165 25675 5730 1 13 . 1 1 4 4 SER CA C 4 57.900 57.900 57.517 0.383 25675 5731 1 13 . 1 1 4 4 SER CB C 4 63.800 63.800 64.455 -0.655 25675 5732 1 13 . 1 1 4 4 SER H H 4 8.185 8.185 7.995 0.190 25675 5733 1 13 . 1 1 5 5 HIS N N 5 120.326 120.326 120.644 -0.318 25675 5734 1 13 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.612 -0.010 25675 5735 1 13 . 1 1 5 5 HIS C C 5 174.200 174.200 174.536 -0.336 25675 5736 1 13 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.453 -0.185 25675 5737 1 13 . 1 1 5 5 HIS CB C 5 29.000 29.000 29.639 -0.639 25675 5738 1 13 . 1 1 5 5 HIS H H 5 8.641 8.641 8.587 0.054 25675 5739 1 13 . 1 1 6 6 HIS N N 6 119.478 119.478 125.631 -6.153 25675 5740 1 13 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.643 -0.016 25675 5741 1 13 . 1 1 6 6 HIS C C 6 174.100 174.100 174.928 -0.828 25675 5742 1 13 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.680 -0.412 25675 5743 1 13 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.299 -0.999 25675 5744 1 13 . 1 1 6 6 HIS H H 6 8.555 8.555 8.765 -0.210 25675 5745 1 13 . 1 1 7 7 HIS N N 7 120.507 120.507 122.142 -1.635 25675 5746 1 13 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.182 0.399 25675 5747 1 13 . 1 1 7 7 HIS C C 7 174.100 174.100 174.859 -0.759 25675 5748 1 13 . 1 1 7 7 HIS CA C 7 55.268 55.268 56.682 -1.414 25675 5749 1 13 . 1 1 7 7 HIS CB C 7 29.300 29.300 30.725 -1.425 25675 5750 1 13 . 1 1 7 7 HIS H H 7 8.777 8.777 8.761 0.016 25675 5751 1 13 . 1 1 8 8 HIS N N 8 120.616 120.616 116.812 3.804 25675 5752 1 13 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.785 -0.185 25675 5753 1 13 . 1 1 8 8 HIS C C 8 174.200 174.200 173.429 0.771 25675 5754 1 13 . 1 1 8 8 HIS CA C 8 55.268 55.268 55.985 -0.717 25675 5755 1 13 . 1 1 8 8 HIS CB C 8 29.300 29.300 31.931 -2.631 25675 5756 1 13 . 1 1 8 8 HIS H H 8 8.777 8.777 7.857 0.920 25675 5757 1 13 . 1 1 9 9 HIS N N 9 121.131 121.131 121.381 -0.250 25675 5758 1 13 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.868 -0.288 25675 5759 1 13 . 1 1 9 9 HIS C C 9 173.990 173.990 175.123 -1.133 25675 5760 1 13 . 1 1 9 9 HIS CA C 9 55.000 55.000 55.723 -0.723 25675 5761 1 13 . 1 1 9 9 HIS CB C 9 29.400 29.400 32.140 -2.740 25675 5762 1 13 . 1 1 9 9 HIS H H 9 8.785 8.785 8.757 0.028 25675 5763 1 13 . 1 1 10 10 HIS N N 10 121.437 121.437 119.443 1.994 25675 5764 1 13 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.484 0.110 25675 5765 1 13 . 1 1 10 10 HIS C C 10 174.577 174.577 176.304 -1.727 25675 5766 1 13 . 1 1 10 10 HIS CA C 10 55.268 55.268 56.996 -1.728 25675 5767 1 13 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.100 -1.200 25675 5768 1 13 . 1 1 10 10 HIS H H 10 8.769 8.769 8.935 -0.166 25675 5769 1 13 . 1 1 11 11 GLY N N 11 111.579 111.579 108.558 3.021 25675 5770 1 13 . 1 1 11 11 GLY C C 11 174.184 174.184 174.199 -0.015 25675 5771 1 13 . 1 1 11 11 GLY CA C 11 45.340 45.340 45.038 0.302 25675 5772 1 13 . 1 1 11 11 GLY H H 11 8.559 8.559 8.357 0.202 25675 5773 1 13 . 1 1 12 12 SER N N 12 115.987 115.987 118.189 -2.202 25675 5774 1 13 . 1 1 12 12 SER HA H 12 4.407 4.407 4.742 -0.335 25675 5775 1 13 . 1 1 12 12 SER C C 12 174.817 174.817 175.195 -0.378 25675 5776 1 13 . 1 1 12 12 SER CA C 12 58.529 58.529 57.821 0.708 25675 5777 1 13 . 1 1 12 12 SER CB C 12 63.780 63.780 63.898 -0.117 25675 5778 1 13 . 1 1 12 12 SER H H 12 8.353 8.353 8.466 -0.113 25675 5779 1 13 . 1 1 13 13 MET N N 13 121.805 121.805 122.246 -0.441 25675 5780 1 13 . 1 1 13 13 MET HA H 13 4.521 4.521 4.677 -0.156 25675 5781 1 13 . 1 1 13 13 MET C C 13 176.003 176.003 176.659 -0.656 25675 5782 1 13 . 1 1 13 13 MET CA C 13 55.503 55.503 55.958 -0.455 25675 5783 1 13 . 1 1 13 13 MET CB C 13 32.843 32.843 33.276 -0.434 25675 5784 1 13 . 1 1 13 13 MET H H 13 8.432 8.432 8.531 -0.099 25675 5785 1 13 . 1 1 14 14 SER N N 14 116.515 116.515 118.092 -1.577 25675 5786 1 13 . 1 1 14 14 SER HA H 14 4.265 4.265 4.372 -0.107 25675 5787 1 13 . 1 1 14 14 SER C C 14 174.055 174.055 174.593 -0.538 25675 5788 1 13 . 1 1 14 14 SER H H 14 8.205 8.205 7.985 0.220 25675 5789 1 13 . 1 1 15 15 GLU N N 15 122.455 122.455 126.978 -4.523 25675 5790 1 13 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.503 -0.268 25675 5791 1 13 . 1 1 15 15 GLU C C 15 174.900 174.900 176.137 -1.237 25675 5792 1 13 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.321 0.307 25675 5793 1 13 . 1 1 15 15 GLU CB C 15 30.225 30.225 32.062 -1.837 25675 5794 1 13 . 1 1 15 15 GLU H H 15 8.292 8.292 8.709 -0.417 25675 5795 1 13 . 1 1 16 16 TYR N N 16 118.896 118.896 119.531 -0.635 25675 5796 1 13 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.823 0.238 25675 5797 1 13 . 1 1 16 16 TYR C C 16 174.935 174.935 175.038 -0.103 25675 5798 1 13 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.887 0.825 25675 5799 1 13 . 1 1 16 16 TYR CB C 16 41.507 41.507 40.089 1.418 25675 5800 1 13 . 1 1 16 16 TYR H H 16 7.955 7.955 7.891 0.064 25675 5801 1 13 . 1 1 17 17 ILE N N 17 115.711 115.711 120.528 -4.817 25675 5802 1 13 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.384 0.165 25675 5803 1 13 . 1 1 17 17 ILE C C 17 174.747 174.747 174.094 0.653 25675 5804 1 13 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.912 -0.470 25675 5805 1 13 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.012 0.847 25675 5806 1 13 . 1 1 17 17 ILE H H 17 8.890 8.890 7.907 0.983 25675 5807 1 13 . 1 1 18 18 ARG N N 18 123.175 123.175 129.272 -6.097 25675 5808 1 13 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.562 -0.682 25675 5809 1 13 . 1 1 18 18 ARG C C 18 174.988 174.988 175.013 -0.025 25675 5810 1 13 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.489 1.355 25675 5811 1 13 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.593 0.137 25675 5812 1 13 . 1 1 18 18 ARG H H 18 8.636 8.636 8.397 0.239 25675 5813 1 13 . 1 1 19 19 VAL N N 19 122.554 122.554 121.093 1.461 25675 5814 1 13 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.724 -0.260 25675 5815 1 13 . 1 1 19 19 VAL C C 19 173.984 173.984 174.681 -0.697 25675 5816 1 13 . 1 1 19 19 VAL CA C 19 59.894 59.894 58.678 1.216 25675 5817 1 13 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.425 0.284 25675 5818 1 13 . 1 1 19 19 VAL H H 19 8.916 8.916 8.201 0.715 25675 5819 1 13 . 1 1 20 20 THR N N 20 118.638 118.638 114.417 4.221 25675 5820 1 13 . 1 1 20 20 THR HA H 20 5.081 5.081 4.960 0.121 25675 5821 1 13 . 1 1 20 20 THR C C 20 172.312 172.312 174.945 -2.633 25675 5822 1 13 . 1 1 20 20 THR CA C 20 57.731 57.731 59.884 -2.153 25675 5823 1 13 . 1 1 20 20 THR CB C 20 71.835 71.835 71.493 0.341 25675 5824 1 13 . 1 1 20 20 THR H H 20 8.794 8.794 8.151 0.643 25675 5825 1 13 . 1 1 21 21 GLU N N 21 124.307 124.307 124.736 -0.429 25675 5826 1 13 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.775 0.399 25675 5827 1 13 . 1 1 21 21 GLU C C 21 175.258 175.258 176.282 -1.024 25675 5828 1 13 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.696 -1.796 25675 5829 1 13 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.037 -1.085 25675 5830 1 13 . 1 1 21 21 GLU H H 21 8.792 8.792 8.909 -0.117 25675 5831 1 13 . 1 1 22 22 ASP N N 22 117.282 117.282 119.090 -1.808 25675 5832 1 13 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.818 -0.214 25675 5833 1 13 . 1 1 22 22 ASP C C 22 175.387 175.387 177.280 -1.893 25675 5834 1 13 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.179 0.286 25675 5835 1 13 . 1 1 22 22 ASP CB C 22 42.875 42.875 42.388 0.487 25675 5836 1 13 . 1 1 22 22 ASP H H 22 7.932 7.932 7.762 0.170 25675 5837 1 13 . 1 1 23 23 GLU N N 23 123.785 123.785 123.823 -0.038 25675 5838 1 13 . 1 1 23 23 GLU HA H 23 3.938 3.938 3.983 -0.045 25675 5839 1 13 . 1 1 23 23 GLU C C 23 176.062 176.062 176.729 -0.667 25675 5840 1 13 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.882 0.560 25675 5841 1 13 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.416 0.020 25675 5842 1 13 . 1 1 23 23 GLU H H 23 9.232 9.232 8.728 0.504 25675 5843 1 13 . 1 1 24 24 ASN N N 24 115.807 115.807 117.427 -1.620 25675 5844 1 13 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.648 0.040 25675 5845 1 13 . 1 1 24 24 ASN C C 24 174.636 174.636 175.138 -0.502 25675 5846 1 13 . 1 1 24 24 ASN CA C 24 53.898 53.898 53.952 -0.054 25675 5847 1 13 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.395 0.508 25675 5848 1 13 . 1 1 24 24 ASN H H 24 8.694 8.694 8.405 0.289 25675 5849 1 13 . 1 1 25 25 ASP N N 25 119.629 119.629 119.468 0.161 25675 5850 1 13 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.766 0.189 25675 5851 1 13 . 1 1 25 25 ASP C C 25 175.269 175.269 174.879 0.390 25675 5852 1 13 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.658 -1.468 25675 5853 1 13 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.023 -1.231 25675 5854 1 13 . 1 1 25 25 ASP H H 25 7.987 7.987 7.583 0.404 25675 5855 1 13 . 1 1 26 26 GLU N N 26 123.692 123.692 118.719 4.973 25675 5856 1 13 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.573 -0.051 25675 5857 1 13 . 1 1 26 26 GLU CA C 26 54.120 54.120 53.431 0.689 25675 5858 1 13 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.895 -0.996 25675 5859 1 13 . 1 1 26 26 GLU H H 26 8.718 8.718 8.414 0.304 25675 5860 1 13 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.581 0.148 25675 5861 1 13 . 1 1 27 27 PRO C C 27 176.126 176.126 176.095 0.031 25675 5862 1 13 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.806 -0.455 25675 5863 1 13 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.807 1.712 25675 5864 1 13 . 1 1 28 28 ILE N N 28 118.646 118.646 124.849 -6.203 25675 5865 1 13 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.169 0.305 25675 5866 1 13 . 1 1 28 28 ILE C C 28 175.181 175.181 174.464 0.717 25675 5867 1 13 . 1 1 28 28 ILE CA C 28 59.448 59.448 60.705 -1.257 25675 5868 1 13 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.049 0.577 25675 5869 1 13 . 1 1 28 28 ILE H H 28 9.244 9.244 7.887 1.357 25675 5870 1 13 . 1 1 29 29 GLU N N 29 120.763 120.763 126.804 -6.041 25675 5871 1 13 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.177 -0.272 25675 5872 1 13 . 1 1 29 29 GLU C C 29 175.739 175.739 175.277 0.462 25675 5873 1 13 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.568 0.720 25675 5874 1 13 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.507 -1.467 25675 5875 1 13 . 1 1 29 29 GLU H H 29 8.220 8.220 8.229 -0.009 25675 5876 1 13 . 1 1 30 30 ILE N N 30 124.950 124.950 118.767 6.183 25675 5877 1 13 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.771 -0.025 25675 5878 1 13 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.461 -1.747 25675 5879 1 13 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.948 -1.095 25675 5880 1 13 . 1 1 30 30 ILE H H 30 9.307 9.307 8.365 0.942 25675 5881 1 13 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.609 -0.226 25675 5882 1 13 . 1 1 31 31 PRO C C 31 175.768 175.768 175.907 -0.139 25675 5883 1 13 . 1 1 31 31 PRO CA C 31 62.782 62.782 63.020 -0.238 25675 5884 1 13 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.297 0.070 25675 5885 1 13 . 1 1 32 32 SER N N 32 114.522 114.522 116.504 -1.982 25675 5886 1 13 . 1 1 32 32 SER HA H 32 4.567 4.567 4.796 -0.229 25675 5887 1 13 . 1 1 32 32 SER C C 32 175.170 175.170 173.139 2.031 25675 5888 1 13 . 1 1 32 32 SER CA C 32 56.211 56.211 57.063 -0.852 25675 5889 1 13 . 1 1 32 32 SER CB C 32 65.701 65.701 66.178 -0.478 25675 5890 1 13 . 1 1 32 32 SER H H 32 7.835 7.835 8.110 -0.275 25675 5891 1 13 . 1 1 33 33 GLU N N 33 118.001 118.001 120.662 -2.661 25675 5892 1 13 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.274 0.019 25675 5893 1 13 . 1 1 33 33 GLU C C 33 178.843 178.843 178.356 0.487 25675 5894 1 13 . 1 1 33 33 GLU CB C 33 30.593 30.593 30.872 -0.279 25675 5895 1 13 . 1 1 33 33 GLU H H 33 9.229 9.229 8.311 0.918 25675 5896 1 13 . 1 1 34 34 ASP N N 34 122.097 122.097 121.627 0.470 25675 5897 1 13 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.457 -0.185 25675 5898 1 13 . 1 1 34 34 ASP C C 34 175.680 175.680 177.090 -1.410 25675 5899 1 13 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.822 0.140 25675 5900 1 13 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.477 -0.391 25675 5901 1 13 . 1 1 34 34 ASP H H 34 9.067 9.067 8.902 0.165 25675 5902 1 13 . 1 1 35 35 ASP N N 35 115.678 115.678 119.761 -4.083 25675 5903 1 13 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.481 0.014 25675 5904 1 13 . 1 1 35 35 ASP C C 35 177.470 177.470 177.313 0.157 25675 5905 1 13 . 1 1 35 35 ASP CA C 35 52.916 52.916 54.973 -2.057 25675 5906 1 13 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.431 -0.618 25675 5907 1 13 . 1 1 35 35 ASP H H 35 7.701 7.701 8.411 -0.710 25675 5908 1 13 . 1 1 36 36 GLY N N 36 107.781 107.781 107.115 0.666 25675 5909 1 13 . 1 1 36 36 GLY C C 36 175.387 175.387 174.107 1.280 25675 5910 1 13 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.127 0.399 25675 5911 1 13 . 1 1 36 36 GLY H H 36 8.211 8.211 7.692 0.519 25675 5912 1 13 . 1 1 37 37 THR N N 37 113.224 113.224 112.534 0.690 25675 5913 1 13 . 1 1 37 37 THR HA H 37 4.787 4.787 5.077 -0.290 25675 5914 1 13 . 1 1 37 37 THR C C 37 175.874 175.874 173.666 2.208 25675 5915 1 13 . 1 1 37 37 THR CA C 37 61.569 61.569 61.580 -0.011 25675 5916 1 13 . 1 1 37 37 THR CB C 37 71.292 71.292 71.200 0.092 25675 5917 1 13 . 1 1 37 37 THR H H 37 7.890 7.890 7.643 0.247 25675 5918 1 13 . 1 1 38 38 VAL N N 38 117.698 117.698 119.457 -1.759 25675 5919 1 13 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.448 -0.101 25675 5920 1 13 . 1 1 38 38 VAL C C 38 175.187 175.187 174.368 0.819 25675 5921 1 13 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.207 -0.170 25675 5922 1 13 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.557 -0.083 25675 5923 1 13 . 1 1 38 38 VAL H H 38 8.382 8.382 8.693 -0.311 25675 5924 1 13 . 1 1 39 39 LEU N N 39 126.182 126.182 126.863 -0.681 25675 5925 1 13 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.307 0.192 25675 5926 1 13 . 1 1 39 39 LEU C C 39 178.655 178.655 177.943 0.712 25675 5927 1 13 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.276 -0.282 25675 5928 1 13 . 1 1 39 39 LEU CB C 39 40.660 40.660 43.162 -2.502 25675 5929 1 13 . 1 1 39 39 LEU H H 39 8.516 8.516 8.607 -0.091 25675 5930 1 13 . 1 1 40 40 LEU N N 40 125.652 125.652 126.233 -0.581 25675 5931 1 13 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.088 -0.115 25675 5932 1 13 . 1 1 40 40 LEU C C 40 178.620 178.620 178.183 0.437 25675 5933 1 13 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.491 0.765 25675 5934 1 13 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.350 -0.352 25675 5935 1 13 . 1 1 40 40 LEU H H 40 8.666 8.666 8.861 -0.195 25675 5936 1 13 . 1 1 41 41 SER N N 41 112.797 112.797 112.456 0.341 25675 5937 1 13 . 1 1 41 41 SER HA H 41 4.359 4.359 4.271 0.088 25675 5938 1 13 . 1 1 41 41 SER C C 41 176.760 176.760 175.792 0.968 25675 5939 1 13 . 1 1 41 41 SER CA C 41 60.390 60.390 61.302 -0.912 25675 5940 1 13 . 1 1 41 41 SER CB C 41 62.032 62.032 62.780 -0.748 25675 5941 1 13 . 1 1 41 41 SER H H 41 8.758 8.758 8.414 0.344 25675 5942 1 13 . 1 1 42 42 THR N N 42 121.066 121.066 117.485 3.581 25675 5943 1 13 . 1 1 42 42 THR HA H 42 3.993 3.993 4.161 -0.168 25675 5944 1 13 . 1 1 42 42 THR C C 42 176.226 176.226 175.570 0.656 25675 5945 1 13 . 1 1 42 42 THR CA C 42 65.206 65.206 65.339 -0.133 25675 5946 1 13 . 1 1 42 42 THR CB C 42 67.912 67.912 69.183 -1.272 25675 5947 1 13 . 1 1 42 42 THR H H 42 7.461 7.461 7.456 0.005 25675 5948 1 13 . 1 1 43 43 VAL N N 43 120.996 120.996 122.101 -1.105 25675 5949 1 13 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.778 -0.184 25675 5950 1 13 . 1 1 43 43 VAL C C 43 178.796 178.796 177.533 1.263 25675 5951 1 13 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.846 -0.038 25675 5952 1 13 . 1 1 43 43 VAL CB C 43 31.840 31.840 32.021 -0.181 25675 5953 1 13 . 1 1 43 43 VAL H H 43 7.288 7.288 7.339 -0.051 25675 5954 1 13 . 1 1 44 44 THR N N 44 113.305 113.305 113.058 0.247 25675 5955 1 13 . 1 1 44 44 THR HA H 44 4.202 4.202 4.282 -0.080 25675 5956 1 13 . 1 1 44 44 THR C C 44 176.337 176.337 175.620 0.717 25675 5957 1 13 . 1 1 44 44 THR CA C 44 64.358 64.358 64.586 -0.228 25675 5958 1 13 . 1 1 44 44 THR CB C 44 68.969 68.969 68.327 0.642 25675 5959 1 13 . 1 1 44 44 THR H H 44 9.189 9.189 7.859 1.330 25675 5960 1 13 . 1 1 45 45 ALA N N 45 121.618 121.618 123.403 -1.785 25675 5961 1 13 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.126 -0.077 25675 5962 1 13 . 1 1 45 45 ALA C C 45 178.685 178.685 178.675 0.010 25675 5963 1 13 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.412 0.214 25675 5964 1 13 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.688 -0.411 25675 5965 1 13 . 1 1 45 45 ALA H H 45 7.274 7.274 7.964 -0.690 25675 5966 1 13 . 1 1 46 46 GLN N N 46 112.595 112.595 114.299 -1.704 25675 5967 1 13 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.209 -0.079 25675 5968 1 13 . 1 1 46 46 GLN C C 46 174.823 174.823 175.090 -0.267 25675 5969 1 13 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.123 0.127 25675 5970 1 13 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.610 -0.690 25675 5971 1 13 . 1 1 46 46 GLN H H 46 6.860 6.860 7.458 -0.598 25675 5972 1 13 . 1 1 47 47 PHE N N 47 118.197 118.197 117.798 0.399 25675 5973 1 13 . 1 1 47 47 PHE HA H 47 4.965 4.965 4.983 -0.018 25675 5974 1 13 . 1 1 47 47 PHE CA C 47 54.741 54.741 54.184 0.557 25675 5975 1 13 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.217 0.397 25675 5976 1 13 . 1 1 47 47 PHE H H 47 8.344 8.344 7.708 0.636 25675 5977 1 13 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.495 -0.055 25675 5978 1 13 . 1 1 48 48 PRO C C 48 178.626 178.626 177.384 1.242 25675 5979 1 13 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.651 0.689 25675 5980 1 13 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.864 -0.419 25675 5981 1 13 . 1 1 49 49 GLY N N 49 111.697 111.697 110.823 0.874 25675 5982 1 13 . 1 1 49 49 GLY C C 49 174.307 174.307 174.253 0.054 25675 5983 1 13 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.841 -0.080 25675 5984 1 13 . 1 1 49 49 GLY H H 49 8.849 8.849 8.644 0.205 25675 5985 1 13 . 1 1 50 50 ALA N N 50 122.602 122.602 123.445 -0.843 25675 5986 1 13 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.584 -0.756 25675 5987 1 13 . 1 1 50 50 ALA C C 50 177.534 177.534 176.721 0.813 25675 5988 1 13 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.434 0.972 25675 5989 1 13 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.056 2.334 25675 5990 1 13 . 1 1 50 50 ALA H H 50 8.032 8.032 7.638 0.394 25675 5991 1 13 . 1 1 51 51 CYS N N 51 114.410 114.410 124.037 -9.627 25675 5992 1 13 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.519 0.026 25675 5993 1 13 . 1 1 51 51 CYS C C 51 174.248 174.248 175.065 -0.817 25675 5994 1 13 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.894 -2.487 25675 5995 1 13 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.515 0.298 25675 5996 1 13 . 1 1 51 51 CYS H H 51 9.094 9.094 8.373 0.721 25675 5997 1 13 . 1 1 52 52 GLY N N 52 106.620 106.620 108.300 -1.680 25675 5998 1 13 . 1 1 52 52 GLY C C 52 170.769 170.769 172.225 -1.456 25675 5999 1 13 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.554 0.407 25675 6000 1 13 . 1 1 52 52 GLY H H 52 7.467 7.467 8.552 -1.085 25675 6001 1 13 . 1 1 53 53 LEU N N 53 117.961 117.961 123.768 -5.807 25675 6002 1 13 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.238 0.107 25675 6003 1 13 . 1 1 53 53 LEU C C 53 175.563 175.563 176.540 -0.977 25675 6004 1 13 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.417 1.235 25675 6005 1 13 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.617 4.968 25675 6006 1 13 . 1 1 53 53 LEU H H 53 8.900 8.900 8.484 0.416 25675 6007 1 13 . 1 1 54 54 ARG N N 54 119.739 119.739 121.296 -1.557 25675 6008 1 13 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.639 0.972 25675 6009 1 13 . 1 1 54 54 ARG C C 54 173.638 173.638 174.808 -1.170 25675 6010 1 13 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.228 0.219 25675 6011 1 13 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.206 0.332 25675 6012 1 13 . 1 1 54 54 ARG H H 54 9.493 9.493 8.118 1.375 25675 6013 1 13 . 1 1 55 55 TYR N N 55 115.879 115.879 118.661 -2.782 25675 6014 1 13 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.743 0.045 25675 6015 1 13 . 1 1 55 55 TYR C C 55 172.417 172.417 175.105 -2.688 25675 6016 1 13 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.843 -1.850 25675 6017 1 13 . 1 1 55 55 TYR CB C 55 41.100 41.100 39.957 1.143 25675 6018 1 13 . 1 1 55 55 TYR H H 55 8.972 8.972 8.189 0.783 25675 6019 1 13 . 1 1 56 56 ARG N N 56 121.380 121.380 124.569 -3.189 25675 6020 1 13 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.766 -0.483 25675 6021 1 13 . 1 1 56 56 ARG C C 56 175.598 175.598 174.128 1.470 25675 6022 1 13 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.686 0.482 25675 6023 1 13 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.381 -1.628 25675 6024 1 13 . 1 1 56 56 ARG H H 56 8.883 8.883 8.259 0.624 25675 6025 1 13 . 1 1 57 57 ASN N N 57 127.980 127.980 125.338 2.642 25675 6026 1 13 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.214 -0.406 25675 6027 1 13 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.141 1.114 25675 6028 1 13 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.253 -1.512 25675 6029 1 13 . 1 1 57 57 ASN H H 57 8.428 8.428 8.821 -0.393 25675 6030 1 13 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.462 -0.169 25675 6031 1 13 . 1 1 58 58 PRO C C 58 177.241 177.241 176.890 0.351 25675 6032 1 13 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.530 0.062 25675 6033 1 13 . 1 1 58 58 PRO CB C 58 32.288 32.288 32.102 0.185 25675 6034 1 13 . 1 1 59 59 VAL N N 59 117.104 117.104 111.251 5.853 25675 6035 1 13 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.141 -0.232 25675 6036 1 13 . 1 1 59 59 VAL C C 59 177.077 177.077 176.762 0.315 25675 6037 1 13 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.032 0.689 25675 6038 1 13 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.440 0.521 25675 6039 1 13 . 1 1 59 59 VAL H H 59 7.965 7.965 7.828 0.137 25675 6040 1 13 . 1 1 60 60 SER N N 60 113.119 113.119 114.949 -1.830 25675 6041 1 13 . 1 1 60 60 SER HA H 60 4.427 4.427 4.492 -0.065 25675 6042 1 13 . 1 1 60 60 SER C C 60 175.252 175.252 174.510 0.742 25675 6043 1 13 . 1 1 60 60 SER CA C 60 58.314 58.314 58.714 -0.400 25675 6044 1 13 . 1 1 60 60 SER CB C 60 65.134 65.134 64.055 1.079 25675 6045 1 13 . 1 1 60 60 SER H H 60 7.691 7.691 7.393 0.298 25675 6046 1 13 . 1 1 61 61 GLN N N 61 115.138 115.138 116.948 -1.810 25675 6047 1 13 . 1 1 61 61 GLN HA H 61 3.860 3.860 4.011 -0.151 25675 6048 1 13 . 1 1 61 61 GLN C C 61 174.882 174.882 175.261 -0.379 25675 6049 1 13 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.205 0.131 25675 6050 1 13 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.354 -0.354 25675 6051 1 13 . 1 1 61 61 GLN H H 61 8.309 8.309 8.062 0.247 25675 6052 1 13 . 1 1 62 62 CYS N N 62 116.568 116.568 117.118 -0.550 25675 6053 1 13 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.623 -0.091 25675 6054 1 13 . 1 1 62 62 CYS C C 62 174.242 174.242 173.278 0.964 25675 6055 1 13 . 1 1 62 62 CYS CA C 62 58.084 58.084 57.108 0.976 25675 6056 1 13 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.407 -0.151 25675 6057 1 13 . 1 1 62 62 CYS H H 62 7.664 7.664 7.703 -0.039 25675 6058 1 13 . 1 1 63 63 MET N N 63 122.627 122.627 121.242 1.385 25675 6059 1 13 . 1 1 63 63 MET HA H 63 4.095 4.095 4.736 -0.641 25675 6060 1 13 . 1 1 63 63 MET C C 63 176.437 176.437 174.882 1.555 25675 6061 1 13 . 1 1 63 63 MET CA C 63 54.992 54.992 55.285 -0.293 25675 6062 1 13 . 1 1 63 63 MET CB C 63 32.828 32.828 33.251 -0.423 25675 6063 1 13 . 1 1 63 63 MET H H 63 8.733 8.733 8.445 0.288 25675 6064 1 13 . 1 1 64 64 ARG N N 64 124.300 124.300 122.794 1.506 25675 6065 1 13 . 1 1 64 64 ARG HA H 64 4.467 4.467 5.075 -0.608 25675 6066 1 13 . 1 1 64 64 ARG C C 64 174.618 174.618 175.353 -0.735 25675 6067 1 13 . 1 1 64 64 ARG CA C 64 53.788 53.788 54.477 -0.689 25675 6068 1 13 . 1 1 64 64 ARG CB C 64 33.535 33.535 33.733 -0.199 25675 6069 1 13 . 1 1 64 64 ARG H H 64 8.995 8.995 8.760 0.235 25675 6070 1 13 . 1 1 65 65 GLY N N 65 122.716 122.716 108.133 14.583 25675 6071 1 13 . 1 1 65 65 GLY C C 65 174.589 174.589 173.465 1.124 25675 6072 1 13 . 1 1 65 65 GLY H H 65 8.474 8.474 8.396 0.078 25675 6073 1 13 . 1 1 66 66 VAL N N 66 124.050 124.050 122.246 1.804 25675 6074 1 13 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.601 0.594 25675 6075 1 13 . 1 1 66 66 VAL C C 66 176.220 176.220 175.596 0.624 25675 6076 1 13 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.174 -0.697 25675 6077 1 13 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.135 0.542 25675 6078 1 13 . 1 1 66 66 VAL H H 66 8.313 8.313 7.670 0.643 25675 6079 1 13 . 1 1 67 67 ARG N N 67 131.490 131.490 128.987 2.503 25675 6080 1 13 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.453 -0.405 25675 6081 1 13 . 1 1 67 67 ARG C C 67 173.497 173.497 174.366 -0.869 25675 6082 1 13 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.424 2.952 25675 6083 1 13 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.562 -0.630 25675 6084 1 13 . 1 1 67 67 ARG H H 67 9.314 9.314 7.898 1.416 25675 6085 1 13 . 1 1 68 68 LEU N N 68 130.230 130.230 126.567 3.663 25675 6086 1 13 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.623 0.581 25675 6087 1 13 . 1 1 68 68 LEU C C 68 175.950 175.950 174.749 1.201 25675 6088 1 13 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.972 -0.159 25675 6089 1 13 . 1 1 68 68 LEU CB C 68 44.093 44.093 44.023 0.070 25675 6090 1 13 . 1 1 68 68 LEU H H 68 8.299 8.299 8.544 -0.245 25675 6091 1 13 . 1 1 69 69 VAL N N 69 127.090 127.090 127.219 -0.129 25675 6092 1 13 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.391 -0.064 25675 6093 1 13 . 1 1 69 69 VAL C C 69 176.155 176.155 175.207 0.948 25675 6094 1 13 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.551 -0.197 25675 6095 1 13 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.157 0.948 25675 6096 1 13 . 1 1 69 69 VAL H H 69 9.044 9.044 8.292 0.752 25675 6097 1 13 . 1 1 70 70 GLU N N 70 128.672 128.672 125.874 2.798 25675 6098 1 13 . 1 1 70 70 GLU HA H 70 3.916 3.916 4.028 -0.112 25675 6099 1 13 . 1 1 70 70 GLU C C 70 175.891 175.891 176.534 -0.643 25675 6100 1 13 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.214 -0.384 25675 6101 1 13 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.847 -0.657 25675 6102 1 13 . 1 1 70 70 GLU H H 70 9.646 9.646 9.220 0.426 25675 6103 1 13 . 1 1 71 71 GLY N N 71 117.967 117.967 102.199 15.768 25675 6104 1 13 . 1 1 71 71 GLY C C 71 173.327 173.327 174.315 -0.988 25675 6105 1 13 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.312 0.737 25675 6106 1 13 . 1 1 71 71 GLY H H 71 8.417 8.417 8.253 0.164 25675 6107 1 13 . 1 1 72 72 ILE N N 72 123.402 123.402 124.054 -0.652 25675 6108 1 13 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.334 -0.097 25675 6109 1 13 . 1 1 72 72 ILE C C 72 174.882 174.882 176.090 -1.208 25675 6110 1 13 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.897 -0.469 25675 6111 1 13 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.936 0.915 25675 6112 1 13 . 1 1 72 72 ILE H H 72 8.124 8.124 7.758 0.366 25675 6113 1 13 . 1 1 73 73 LEU N N 73 129.380 129.380 130.165 -0.785 25675 6114 1 13 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.878 0.321 25675 6115 1 13 . 1 1 73 73 LEU C C 73 175.932 175.932 176.764 -0.832 25675 6116 1 13 . 1 1 73 73 LEU CA C 73 54.245 54.245 54.051 0.194 25675 6117 1 13 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.390 1.492 25675 6118 1 13 . 1 1 73 73 LEU H H 73 9.353 9.353 8.652 0.701 25675 6119 1 13 . 1 1 74 74 HIS N N 74 120.040 120.040 126.551 -6.511 25675 6120 1 13 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.789 -0.178 25675 6121 1 13 . 1 1 74 74 HIS C C 74 172.371 172.371 173.048 -0.677 25675 6122 1 13 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.427 -0.602 25675 6123 1 13 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.416 -1.565 25675 6124 1 13 . 1 1 74 74 HIS H H 74 8.541 8.541 8.983 -0.442 25675 6125 1 13 . 1 1 75 75 ALA N N 75 125.980 125.980 129.115 -3.135 25675 6126 1 13 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.962 -2.213 25675 6127 1 13 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.636 1.301 25675 6128 1 13 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.799 -1.851 25675 6129 1 13 . 1 1 75 75 ALA H H 75 8.413 8.413 8.242 0.171 25675 6130 1 13 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.192 0.090 25675 6131 1 13 . 1 1 76 76 PRO C C 76 176.185 176.185 176.109 0.076 25675 6132 1 13 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.714 0.567 25675 6133 1 13 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.286 -0.014 25675 6134 1 13 . 1 1 77 77 ASP N N 77 122.297 122.297 117.107 5.190 25675 6135 1 13 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.431 -0.341 25675 6136 1 13 . 1 1 77 77 ASP C C 77 176.977 176.977 176.816 0.161 25675 6137 1 13 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.509 1.995 25675 6138 1 13 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.316 -0.406 25675 6139 1 13 . 1 1 77 77 ASP H H 77 8.454 8.454 8.337 0.117 25675 6140 1 13 . 1 1 78 78 ALA N N 78 118.586 118.586 121.053 -2.467 25675 6141 1 13 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.332 -0.083 25675 6142 1 13 . 1 1 78 78 ALA C C 78 177.458 177.458 177.573 -0.115 25675 6143 1 13 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.471 0.253 25675 6144 1 13 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.122 -1.377 25675 6145 1 13 . 1 1 78 78 ALA H H 78 8.032 8.032 7.588 0.444 25675 6146 1 13 . 1 1 79 79 GLY N N 79 107.830 107.830 105.657 2.173 25675 6147 1 13 . 1 1 79 79 GLY C C 79 172.928 172.928 173.657 -0.729 25675 6148 1 13 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.256 -0.915 25675 6149 1 13 . 1 1 79 79 GLY H H 79 7.902 7.902 7.295 0.607 25675 6150 1 13 . 1 1 80 80 TRP N N 80 119.474 119.474 122.585 -3.111 25675 6151 1 13 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.725 -0.190 25675 6152 1 13 . 1 1 80 80 TRP C C 80 180.190 180.190 177.170 3.020 25675 6153 1 13 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.307 0.363 25675 6154 1 13 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.367 0.719 25675 6155 1 13 . 1 1 80 80 TRP H H 80 8.389 8.389 8.450 -0.061 25675 6156 1 13 . 1 1 81 81 GLY N N 81 103.130 103.130 104.616 -1.486 25675 6157 1 13 . 1 1 81 81 GLY C C 81 174.110 174.110 173.019 1.091 25675 6158 1 13 . 1 1 81 81 GLY CA C 81 45.879 45.879 45.066 0.813 25675 6159 1 13 . 1 1 81 81 GLY H H 81 8.519 8.519 8.593 -0.074 25675 6160 1 13 . 1 1 82 82 ASN N N 82 120.652 120.652 119.339 1.313 25675 6161 1 13 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.432 -0.356 25675 6162 1 13 . 1 1 82 82 ASN C C 82 175.211 175.211 175.106 0.105 25675 6163 1 13 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.291 -0.306 25675 6164 1 13 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.805 -0.148 25675 6165 1 13 . 1 1 82 82 ASN H H 82 8.800 8.800 8.495 0.305 25675 6166 1 13 . 1 1 83 83 LEU N N 83 118.129 118.129 116.505 1.624 25675 6167 1 13 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.916 -0.787 25675 6168 1 13 . 1 1 83 83 LEU C C 83 174.442 174.442 176.184 -1.742 25675 6169 1 13 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.096 1.703 25675 6170 1 13 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.940 -1.083 25675 6171 1 13 . 1 1 83 83 LEU H H 83 6.883 6.883 7.781 -0.898 25675 6172 1 13 . 1 1 84 84 VAL N N 84 118.316 118.316 113.604 4.712 25675 6173 1 13 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.789 -0.734 25675 6174 1 13 . 1 1 84 84 VAL C C 84 174.630 174.630 174.988 -0.358 25675 6175 1 13 . 1 1 84 84 VAL CA C 84 62.443 62.443 60.647 1.796 25675 6176 1 13 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.376 -0.418 25675 6177 1 13 . 1 1 84 84 VAL H H 84 7.835 7.835 7.797 0.038 25675 6178 1 13 . 1 1 85 85 TYR N N 85 128.110 128.110 124.027 4.083 25675 6179 1 13 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.491 -0.794 25675 6180 1 13 . 1 1 85 85 TYR C C 85 174.313 174.313 174.393 -0.080 25675 6181 1 13 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.655 3.466 25675 6182 1 13 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.476 0.064 25675 6183 1 13 . 1 1 85 85 TYR H H 85 8.886 8.886 8.660 0.226 25675 6184 1 13 . 1 1 86 86 VAL N N 86 122.593 122.593 124.400 -1.807 25675 6185 1 13 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.957 0.798 25675 6186 1 13 . 1 1 86 86 VAL C C 86 176.531 176.531 175.917 0.614 25675 6187 1 13 . 1 1 86 86 VAL CA C 86 59.999 59.999 61.103 -1.105 25675 6188 1 13 . 1 1 86 86 VAL CB C 86 33.419 33.419 32.888 0.531 25675 6189 1 13 . 1 1 86 86 VAL H H 86 9.473 9.473 7.987 1.486 25675 6190 1 13 . 1 1 87 87 VAL N N 87 124.298 124.298 124.212 0.086 25675 6191 1 13 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.067 -0.280 25675 6192 1 13 . 1 1 87 87 VAL C C 87 174.735 174.735 174.802 -0.067 25675 6193 1 13 . 1 1 87 87 VAL CA C 87 63.726 63.726 61.933 1.793 25675 6194 1 13 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.667 1.056 25675 6195 1 13 . 1 1 87 87 VAL H H 87 7.864 7.864 8.118 -0.254 25675 6196 1 13 . 1 1 88 88 ASN N N 88 123.146 123.146 126.383 -3.237 25675 6197 1 13 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.803 -0.029 25675 6198 1 13 . 1 1 88 88 ASN C C 88 172.900 172.900 172.935 -0.035 25675 6199 1 13 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.736 -1.404 25675 6200 1 13 . 1 1 88 88 ASN CB C 88 40.773 40.773 41.824 -1.051 25675 6201 1 13 . 1 1 88 88 ASN H H 88 7.786 7.786 8.144 -0.358 25675 6202 1 14 . 1 1 3 3 GLY C C 3 173.761 173.761 174.443 -0.682 25675 6203 1 14 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.118 0.012 25675 6204 1 14 . 1 1 4 4 SER N N 4 115.011 115.011 117.581 -2.570 25675 6205 1 14 . 1 1 4 4 SER HA H 4 4.304 4.304 4.711 -0.407 25675 6206 1 14 . 1 1 4 4 SER C C 4 174.600 174.600 174.065 0.535 25675 6207 1 14 . 1 1 4 4 SER CA C 4 57.900 57.900 58.291 -0.390 25675 6208 1 14 . 1 1 4 4 SER CB C 4 63.800 63.800 65.017 -1.217 25675 6209 1 14 . 1 1 4 4 SER H H 4 8.185 8.185 8.494 -0.309 25675 6210 1 14 . 1 1 5 5 HIS N N 5 120.326 120.326 122.373 -2.047 25675 6211 1 14 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.768 -0.166 25675 6212 1 14 . 1 1 5 5 HIS C C 5 174.200 174.200 174.914 -0.714 25675 6213 1 14 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.578 -0.310 25675 6214 1 14 . 1 1 5 5 HIS CB C 5 29.000 29.000 29.936 -0.936 25675 6215 1 14 . 1 1 5 5 HIS H H 5 8.641 8.641 8.523 0.118 25675 6216 1 14 . 1 1 6 6 HIS N N 6 119.478 119.478 116.828 2.650 25675 6217 1 14 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.153 0.474 25675 6218 1 14 . 1 1 6 6 HIS C C 6 174.100 174.100 175.058 -0.958 25675 6219 1 14 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.514 -0.246 25675 6220 1 14 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.317 -1.017 25675 6221 1 14 . 1 1 6 6 HIS H H 6 8.555 8.555 7.644 0.911 25675 6222 1 14 . 1 1 7 7 HIS N N 7 120.507 120.507 117.864 2.643 25675 6223 1 14 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.469 0.112 25675 6224 1 14 . 1 1 7 7 HIS C C 7 174.100 174.100 175.139 -1.039 25675 6225 1 14 . 1 1 7 7 HIS CA C 7 55.268 55.268 56.747 -1.479 25675 6226 1 14 . 1 1 7 7 HIS CB C 7 29.300 29.300 30.446 -1.146 25675 6227 1 14 . 1 1 7 7 HIS H H 7 8.777 8.777 8.435 0.342 25675 6228 1 14 . 1 1 8 8 HIS N N 8 120.616 120.616 116.836 3.780 25675 6229 1 14 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.370 0.230 25675 6230 1 14 . 1 1 8 8 HIS C C 8 174.200 174.200 174.066 0.134 25675 6231 1 14 . 1 1 8 8 HIS CA C 8 55.268 55.268 56.225 -0.957 25675 6232 1 14 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.391 -1.091 25675 6233 1 14 . 1 1 8 8 HIS H H 8 8.777 8.777 8.184 0.593 25675 6234 1 14 . 1 1 9 9 HIS N N 9 121.131 121.131 117.091 4.040 25675 6235 1 14 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.808 -0.228 25675 6236 1 14 . 1 1 9 9 HIS C C 9 173.990 173.990 175.280 -1.290 25675 6237 1 14 . 1 1 9 9 HIS CA C 9 55.000 55.000 55.744 -0.744 25675 6238 1 14 . 1 1 9 9 HIS CB C 9 29.400 29.400 31.592 -2.192 25675 6239 1 14 . 1 1 9 9 HIS H H 9 8.785 8.785 8.409 0.376 25675 6240 1 14 . 1 1 10 10 HIS N N 10 121.437 121.437 121.519 -0.082 25675 6241 1 14 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.535 0.059 25675 6242 1 14 . 1 1 10 10 HIS C C 10 174.577 174.577 175.190 -0.613 25675 6243 1 14 . 1 1 10 10 HIS CA C 10 55.268 55.268 56.453 -1.185 25675 6244 1 14 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.244 -1.344 25675 6245 1 14 . 1 1 10 10 HIS H H 10 8.769 8.769 8.811 -0.042 25675 6246 1 14 . 1 1 11 11 GLY N N 11 111.579 111.579 107.022 4.557 25675 6247 1 14 . 1 1 11 11 GLY C C 11 174.184 174.184 173.012 1.172 25675 6248 1 14 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.103 1.237 25675 6249 1 14 . 1 1 11 11 GLY H H 11 8.559 8.559 7.861 0.698 25675 6250 1 14 . 1 1 12 12 SER N N 12 115.987 115.987 115.946 0.041 25675 6251 1 14 . 1 1 12 12 SER HA H 12 4.407 4.407 4.625 -0.218 25675 6252 1 14 . 1 1 12 12 SER C C 12 174.817 174.817 174.634 0.183 25675 6253 1 14 . 1 1 12 12 SER CA C 12 58.529 58.529 58.273 0.256 25675 6254 1 14 . 1 1 12 12 SER CB C 12 63.780 63.780 63.455 0.325 25675 6255 1 14 . 1 1 12 12 SER H H 12 8.353 8.353 8.430 -0.077 25675 6256 1 14 . 1 1 13 13 MET N N 13 121.805 121.805 126.619 -4.814 25675 6257 1 14 . 1 1 13 13 MET HA H 13 4.521 4.521 4.559 -0.038 25675 6258 1 14 . 1 1 13 13 MET C C 13 176.003 176.003 175.591 0.412 25675 6259 1 14 . 1 1 13 13 MET CA C 13 55.503 55.503 55.682 -0.180 25675 6260 1 14 . 1 1 13 13 MET CB C 13 32.843 32.843 33.435 -0.592 25675 6261 1 14 . 1 1 13 13 MET H H 13 8.432 8.432 8.800 -0.368 25675 6262 1 14 . 1 1 14 14 SER N N 14 116.515 116.515 114.130 2.385 25675 6263 1 14 . 1 1 14 14 SER HA H 14 4.265 4.265 4.458 -0.193 25675 6264 1 14 . 1 1 14 14 SER C C 14 174.055 174.055 174.221 -0.166 25675 6265 1 14 . 1 1 14 14 SER H H 14 8.205 8.205 7.687 0.518 25675 6266 1 14 . 1 1 15 15 GLU N N 15 122.455 122.455 121.529 0.926 25675 6267 1 14 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.551 -0.316 25675 6268 1 14 . 1 1 15 15 GLU C C 15 174.900 174.900 175.965 -1.065 25675 6269 1 14 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.175 0.453 25675 6270 1 14 . 1 1 15 15 GLU CB C 15 30.225 30.225 32.011 -1.786 25675 6271 1 14 . 1 1 15 15 GLU H H 15 8.292 8.292 8.827 -0.535 25675 6272 1 14 . 1 1 16 16 TYR N N 16 118.896 118.896 117.089 1.807 25675 6273 1 14 . 1 1 16 16 TYR HA H 16 5.061 5.061 5.100 -0.039 25675 6274 1 14 . 1 1 16 16 TYR C C 16 174.935 174.935 174.363 0.572 25675 6275 1 14 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.846 0.867 25675 6276 1 14 . 1 1 16 16 TYR CB C 16 41.507 41.507 41.593 -0.085 25675 6277 1 14 . 1 1 16 16 TYR H H 16 7.955 7.955 8.038 -0.083 25675 6278 1 14 . 1 1 17 17 ILE N N 17 115.711 115.711 121.481 -5.770 25675 6279 1 14 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.354 0.195 25675 6280 1 14 . 1 1 17 17 ILE C C 17 174.747 174.747 173.955 0.792 25675 6281 1 14 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.763 -0.321 25675 6282 1 14 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.100 0.759 25675 6283 1 14 . 1 1 17 17 ILE H H 17 8.890 8.890 7.980 0.910 25675 6284 1 14 . 1 1 18 18 ARG N N 18 123.175 123.175 129.134 -5.959 25675 6285 1 14 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.433 -0.553 25675 6286 1 14 . 1 1 18 18 ARG C C 18 174.988 174.988 175.243 -0.255 25675 6287 1 14 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.633 1.211 25675 6288 1 14 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.438 0.292 25675 6289 1 14 . 1 1 18 18 ARG H H 18 8.636 8.636 8.375 0.261 25675 6290 1 14 . 1 1 19 19 VAL N N 19 122.554 122.554 119.382 3.172 25675 6291 1 14 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.607 -0.143 25675 6292 1 14 . 1 1 19 19 VAL C C 19 173.984 173.984 174.561 -0.577 25675 6293 1 14 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.807 0.087 25675 6294 1 14 . 1 1 19 19 VAL CB C 19 35.709 35.709 36.103 -0.394 25675 6295 1 14 . 1 1 19 19 VAL H H 19 8.916 8.916 8.382 0.534 25675 6296 1 14 . 1 1 20 20 THR N N 20 118.638 118.638 114.526 4.112 25675 6297 1 14 . 1 1 20 20 THR HA H 20 5.081 5.081 4.885 0.196 25675 6298 1 14 . 1 1 20 20 THR C C 20 172.312 172.312 174.276 -1.964 25675 6299 1 14 . 1 1 20 20 THR CA C 20 57.731 57.731 59.792 -2.061 25675 6300 1 14 . 1 1 20 20 THR CB C 20 71.835 71.835 71.344 0.491 25675 6301 1 14 . 1 1 20 20 THR H H 20 8.794 8.794 8.153 0.641 25675 6302 1 14 . 1 1 21 21 GLU N N 21 124.307 124.307 124.563 -0.256 25675 6303 1 14 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.545 0.629 25675 6304 1 14 . 1 1 21 21 GLU C C 21 175.258 175.258 176.195 -0.937 25675 6305 1 14 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.926 -2.026 25675 6306 1 14 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.244 -1.292 25675 6307 1 14 . 1 1 21 21 GLU H H 21 8.792 8.792 8.873 -0.081 25675 6308 1 14 . 1 1 22 22 ASP N N 22 117.282 117.282 118.320 -1.038 25675 6309 1 14 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.759 -0.155 25675 6310 1 14 . 1 1 22 22 ASP C C 22 175.387 175.387 177.165 -1.778 25675 6311 1 14 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.283 0.182 25675 6312 1 14 . 1 1 22 22 ASP CB C 22 42.875 42.875 42.574 0.301 25675 6313 1 14 . 1 1 22 22 ASP H H 22 7.932 7.932 7.618 0.314 25675 6314 1 14 . 1 1 23 23 GLU N N 23 123.785 123.785 123.502 0.283 25675 6315 1 14 . 1 1 23 23 GLU HA H 23 3.938 3.938 3.925 0.013 25675 6316 1 14 . 1 1 23 23 GLU C C 23 176.062 176.062 176.603 -0.541 25675 6317 1 14 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.811 0.631 25675 6318 1 14 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.332 0.104 25675 6319 1 14 . 1 1 23 23 GLU H H 23 9.232 9.232 8.832 0.400 25675 6320 1 14 . 1 1 24 24 ASN N N 24 115.807 115.807 115.386 0.421 25675 6321 1 14 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.566 0.122 25675 6322 1 14 . 1 1 24 24 ASN C C 24 174.636 174.636 175.666 -1.030 25675 6323 1 14 . 1 1 24 24 ASN CA C 24 53.898 53.898 53.971 -0.073 25675 6324 1 14 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.069 0.834 25675 6325 1 14 . 1 1 24 24 ASN H H 24 8.694 8.694 8.371 0.323 25675 6326 1 14 . 1 1 25 25 ASP N N 25 119.629 119.629 120.305 -0.676 25675 6327 1 14 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.672 0.283 25675 6328 1 14 . 1 1 25 25 ASP C C 25 175.269 175.269 174.771 0.498 25675 6329 1 14 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.640 -1.450 25675 6330 1 14 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.717 -1.925 25675 6331 1 14 . 1 1 25 25 ASP H H 25 7.987 7.987 7.519 0.468 25675 6332 1 14 . 1 1 26 26 GLU N N 26 123.692 123.692 118.362 5.330 25675 6333 1 14 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.644 -0.122 25675 6334 1 14 . 1 1 26 26 GLU CA C 26 54.120 54.120 53.949 0.171 25675 6335 1 14 . 1 1 26 26 GLU CB C 26 28.899 28.899 31.088 -2.189 25675 6336 1 14 . 1 1 26 26 GLU H H 26 8.718 8.718 8.448 0.270 25675 6337 1 14 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.476 0.253 25675 6338 1 14 . 1 1 27 27 PRO C C 27 176.126 176.126 175.796 0.330 25675 6339 1 14 . 1 1 27 27 PRO CA C 27 62.351 62.351 63.064 -0.713 25675 6340 1 14 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.735 1.784 25675 6341 1 14 . 1 1 28 28 ILE N N 28 118.646 118.646 124.872 -6.226 25675 6342 1 14 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.199 0.275 25675 6343 1 14 . 1 1 28 28 ILE C C 28 175.181 175.181 174.750 0.431 25675 6344 1 14 . 1 1 28 28 ILE CA C 28 59.448 59.448 60.498 -1.050 25675 6345 1 14 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.269 0.357 25675 6346 1 14 . 1 1 28 28 ILE H H 28 9.244 9.244 8.063 1.181 25675 6347 1 14 . 1 1 29 29 GLU N N 29 120.763 120.763 126.664 -5.901 25675 6348 1 14 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.326 -0.421 25675 6349 1 14 . 1 1 29 29 GLU C C 29 175.739 175.739 175.319 0.420 25675 6350 1 14 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.173 1.115 25675 6351 1 14 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.995 -1.955 25675 6352 1 14 . 1 1 29 29 GLU H H 29 8.220 8.220 8.239 -0.019 25675 6353 1 14 . 1 1 30 30 ILE N N 30 124.950 124.950 118.483 6.467 25675 6354 1 14 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.727 0.019 25675 6355 1 14 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.439 -1.725 25675 6356 1 14 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.436 -0.583 25675 6357 1 14 . 1 1 30 30 ILE H H 30 9.307 9.307 8.376 0.931 25675 6358 1 14 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.572 -0.189 25675 6359 1 14 . 1 1 31 31 PRO C C 31 175.768 175.768 176.339 -0.571 25675 6360 1 14 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.906 -0.123 25675 6361 1 14 . 1 1 31 31 PRO CB C 31 32.367 32.367 31.767 0.600 25675 6362 1 14 . 1 1 32 32 SER N N 32 114.522 114.522 118.406 -3.884 25675 6363 1 14 . 1 1 32 32 SER HA H 32 4.567 4.567 4.693 -0.126 25675 6364 1 14 . 1 1 32 32 SER C C 32 175.170 175.170 173.949 1.221 25675 6365 1 14 . 1 1 32 32 SER CA C 32 56.211 56.211 56.245 -0.034 25675 6366 1 14 . 1 1 32 32 SER CB C 32 65.701 65.701 66.144 -0.443 25675 6367 1 14 . 1 1 32 32 SER H H 32 7.835 7.835 8.130 -0.295 25675 6368 1 14 . 1 1 33 33 GLU N N 33 118.001 118.001 121.360 -3.359 25675 6369 1 14 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.181 0.112 25675 6370 1 14 . 1 1 33 33 GLU C C 33 178.843 178.843 178.000 0.843 25675 6371 1 14 . 1 1 33 33 GLU CB C 33 30.593 30.593 30.627 -0.034 25675 6372 1 14 . 1 1 33 33 GLU H H 33 9.229 9.229 8.322 0.907 25675 6373 1 14 . 1 1 34 34 ASP N N 34 122.097 122.097 120.525 1.572 25675 6374 1 14 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.401 -0.129 25675 6375 1 14 . 1 1 34 34 ASP C C 34 175.680 175.680 177.269 -1.589 25675 6376 1 14 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.634 0.328 25675 6377 1 14 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.511 -0.425 25675 6378 1 14 . 1 1 34 34 ASP H H 34 9.067 9.067 8.919 0.148 25675 6379 1 14 . 1 1 35 35 ASP N N 35 115.678 115.678 119.044 -3.366 25675 6380 1 14 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.505 -0.010 25675 6381 1 14 . 1 1 35 35 ASP C C 35 177.470 177.470 177.166 0.304 25675 6382 1 14 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.331 -2.415 25675 6383 1 14 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.723 -0.910 25675 6384 1 14 . 1 1 35 35 ASP H H 35 7.701 7.701 8.367 -0.666 25675 6385 1 14 . 1 1 36 36 GLY N N 36 107.781 107.781 106.824 0.957 25675 6386 1 14 . 1 1 36 36 GLY C C 36 175.387 175.387 173.960 1.427 25675 6387 1 14 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.208 0.318 25675 6388 1 14 . 1 1 36 36 GLY H H 36 8.211 8.211 7.774 0.437 25675 6389 1 14 . 1 1 37 37 THR N N 37 113.224 113.224 111.136 2.088 25675 6390 1 14 . 1 1 37 37 THR HA H 37 4.787 4.787 4.983 -0.196 25675 6391 1 14 . 1 1 37 37 THR C C 37 175.874 175.874 173.630 2.244 25675 6392 1 14 . 1 1 37 37 THR CA C 37 61.569 61.569 60.020 1.549 25675 6393 1 14 . 1 1 37 37 THR CB C 37 71.292 71.292 72.005 -0.713 25675 6394 1 14 . 1 1 37 37 THR H H 37 7.890 7.890 7.633 0.257 25675 6395 1 14 . 1 1 38 38 VAL N N 38 117.698 117.698 119.686 -1.988 25675 6396 1 14 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.375 -0.028 25675 6397 1 14 . 1 1 38 38 VAL C C 38 175.187 175.187 174.576 0.611 25675 6398 1 14 . 1 1 38 38 VAL CA C 38 61.037 61.037 60.880 0.157 25675 6399 1 14 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.268 0.206 25675 6400 1 14 . 1 1 38 38 VAL H H 38 8.382 8.382 8.233 0.149 25675 6401 1 14 . 1 1 39 39 LEU N N 39 126.182 126.182 127.166 -0.984 25675 6402 1 14 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.317 0.182 25675 6403 1 14 . 1 1 39 39 LEU C C 39 178.655 178.655 177.790 0.865 25675 6404 1 14 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.480 -0.486 25675 6405 1 14 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.842 -2.182 25675 6406 1 14 . 1 1 39 39 LEU H H 39 8.516 8.516 8.686 -0.170 25675 6407 1 14 . 1 1 40 40 LEU N N 40 125.652 125.652 125.787 -0.135 25675 6408 1 14 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.100 -0.127 25675 6409 1 14 . 1 1 40 40 LEU C C 40 178.620 178.620 179.031 -0.411 25675 6410 1 14 . 1 1 40 40 LEU CA C 40 58.256 58.256 58.162 0.094 25675 6411 1 14 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.655 -0.657 25675 6412 1 14 . 1 1 40 40 LEU H H 40 8.666 8.666 8.812 -0.146 25675 6413 1 14 . 1 1 41 41 SER N N 41 112.797 112.797 112.950 -0.153 25675 6414 1 14 . 1 1 41 41 SER HA H 41 4.359 4.359 4.222 0.137 25675 6415 1 14 . 1 1 41 41 SER C C 41 176.760 176.760 176.324 0.436 25675 6416 1 14 . 1 1 41 41 SER CA C 41 60.390 60.390 61.452 -1.062 25675 6417 1 14 . 1 1 41 41 SER CB C 41 62.032 62.032 62.926 -0.894 25675 6418 1 14 . 1 1 41 41 SER H H 41 8.758 8.758 8.345 0.413 25675 6419 1 14 . 1 1 42 42 THR N N 42 121.066 121.066 118.492 2.574 25675 6420 1 14 . 1 1 42 42 THR HA H 42 3.993 3.993 4.030 -0.037 25675 6421 1 14 . 1 1 42 42 THR C C 42 176.226 176.226 175.875 0.351 25675 6422 1 14 . 1 1 42 42 THR CA C 42 65.206 65.206 66.185 -0.979 25675 6423 1 14 . 1 1 42 42 THR CB C 42 67.912 67.912 68.609 -0.697 25675 6424 1 14 . 1 1 42 42 THR H H 42 7.461 7.461 7.480 -0.019 25675 6425 1 14 . 1 1 43 43 VAL N N 43 120.996 120.996 120.671 0.325 25675 6426 1 14 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.738 -0.144 25675 6427 1 14 . 1 1 43 43 VAL C C 43 178.796 178.796 177.525 1.271 25675 6428 1 14 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.153 0.655 25675 6429 1 14 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.451 0.389 25675 6430 1 14 . 1 1 43 43 VAL H H 43 7.288 7.288 7.496 -0.208 25675 6431 1 14 . 1 1 44 44 THR N N 44 113.305 113.305 112.280 1.025 25675 6432 1 14 . 1 1 44 44 THR HA H 44 4.202 4.202 4.380 -0.178 25675 6433 1 14 . 1 1 44 44 THR C C 44 176.337 176.337 175.517 0.820 25675 6434 1 14 . 1 1 44 44 THR CA C 44 64.358 64.358 64.118 0.241 25675 6435 1 14 . 1 1 44 44 THR CB C 44 68.969 68.969 68.412 0.557 25675 6436 1 14 . 1 1 44 44 THR H H 44 9.189 9.189 7.685 1.504 25675 6437 1 14 . 1 1 45 45 ALA N N 45 121.618 121.618 124.317 -2.699 25675 6438 1 14 . 1 1 45 45 ALA HA H 45 4.049 4.049 3.994 0.055 25675 6439 1 14 . 1 1 45 45 ALA C C 45 178.685 178.685 178.835 -0.150 25675 6440 1 14 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.384 0.242 25675 6441 1 14 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.746 -0.469 25675 6442 1 14 . 1 1 45 45 ALA H H 45 7.274 7.274 7.199 0.075 25675 6443 1 14 . 1 1 46 46 GLN N N 46 112.595 112.595 113.108 -0.513 25675 6444 1 14 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.318 -0.188 25675 6445 1 14 . 1 1 46 46 GLN C C 46 174.823 174.823 175.789 -0.966 25675 6446 1 14 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.445 -0.195 25675 6447 1 14 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.687 -0.767 25675 6448 1 14 . 1 1 46 46 GLN H H 46 6.860 6.860 7.623 -0.763 25675 6449 1 14 . 1 1 47 47 PHE N N 47 118.197 118.197 119.101 -0.904 25675 6450 1 14 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.056 -0.091 25675 6451 1 14 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.698 1.043 25675 6452 1 14 . 1 1 47 47 PHE CB C 47 39.614 39.614 38.623 0.991 25675 6453 1 14 . 1 1 47 47 PHE H H 47 8.344 8.344 7.612 0.732 25675 6454 1 14 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.492 -0.052 25675 6455 1 14 . 1 1 48 48 PRO C C 48 178.626 178.626 177.970 0.656 25675 6456 1 14 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.698 0.642 25675 6457 1 14 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.952 -0.506 25675 6458 1 14 . 1 1 49 49 GLY N N 49 111.697 111.697 111.402 0.295 25675 6459 1 14 . 1 1 49 49 GLY C C 49 174.307 174.307 174.167 0.140 25675 6460 1 14 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.970 -0.209 25675 6461 1 14 . 1 1 49 49 GLY H H 49 8.849 8.849 8.818 0.031 25675 6462 1 14 . 1 1 50 50 ALA N N 50 122.602 122.602 121.647 0.955 25675 6463 1 14 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.697 -0.869 25675 6464 1 14 . 1 1 50 50 ALA C C 50 177.534 177.534 176.260 1.274 25675 6465 1 14 . 1 1 50 50 ALA CA C 50 53.406 53.406 51.839 1.567 25675 6466 1 14 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.657 1.733 25675 6467 1 14 . 1 1 50 50 ALA H H 50 8.032 8.032 7.600 0.432 25675 6468 1 14 . 1 1 51 51 CYS N N 51 114.410 114.410 124.081 -9.671 25675 6469 1 14 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.599 -0.054 25675 6470 1 14 . 1 1 51 51 CYS C C 51 174.248 174.248 175.285 -1.037 25675 6471 1 14 . 1 1 51 51 CYS CA C 51 57.407 57.407 60.220 -2.813 25675 6472 1 14 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.591 0.222 25675 6473 1 14 . 1 1 51 51 CYS H H 51 9.094 9.094 8.254 0.840 25675 6474 1 14 . 1 1 52 52 GLY N N 52 106.620 106.620 108.099 -1.479 25675 6475 1 14 . 1 1 52 52 GLY C C 52 170.769 170.769 171.997 -1.228 25675 6476 1 14 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.462 0.499 25675 6477 1 14 . 1 1 52 52 GLY H H 52 7.467 7.467 8.110 -0.643 25675 6478 1 14 . 1 1 53 53 LEU N N 53 117.961 117.961 122.794 -4.833 25675 6479 1 14 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.321 0.024 25675 6480 1 14 . 1 1 53 53 LEU C C 53 175.563 175.563 176.674 -1.111 25675 6481 1 14 . 1 1 53 53 LEU CA C 53 53.652 53.652 53.274 0.378 25675 6482 1 14 . 1 1 53 53 LEU CB C 53 48.585 48.585 44.934 3.651 25675 6483 1 14 . 1 1 53 53 LEU H H 53 8.900 8.900 8.335 0.565 25675 6484 1 14 . 1 1 54 54 ARG N N 54 119.739 119.739 119.640 0.099 25675 6485 1 14 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.491 1.120 25675 6486 1 14 . 1 1 54 54 ARG C C 54 173.638 173.638 174.700 -1.062 25675 6487 1 14 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.511 -0.064 25675 6488 1 14 . 1 1 54 54 ARG CB C 54 34.538 34.538 33.500 1.038 25675 6489 1 14 . 1 1 54 54 ARG H H 54 9.493 9.493 8.229 1.264 25675 6490 1 14 . 1 1 55 55 TYR N N 55 115.879 115.879 118.681 -2.802 25675 6491 1 14 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.764 0.024 25675 6492 1 14 . 1 1 55 55 TYR C C 55 172.417 172.417 175.470 -3.053 25675 6493 1 14 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.886 -1.893 25675 6494 1 14 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.115 0.984 25675 6495 1 14 . 1 1 55 55 TYR H H 55 8.972 8.972 7.992 0.980 25675 6496 1 14 . 1 1 56 56 ARG N N 56 121.380 121.380 125.125 -3.745 25675 6497 1 14 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.705 -0.422 25675 6498 1 14 . 1 1 56 56 ARG C C 56 175.598 175.598 174.223 1.375 25675 6499 1 14 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.846 0.322 25675 6500 1 14 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.009 -1.256 25675 6501 1 14 . 1 1 56 56 ARG H H 56 8.883 8.883 8.338 0.545 25675 6502 1 14 . 1 1 57 57 ASN N N 57 127.980 127.980 125.344 2.636 25675 6503 1 14 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.227 -0.419 25675 6504 1 14 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.114 1.141 25675 6505 1 14 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.209 -1.468 25675 6506 1 14 . 1 1 57 57 ASN H H 57 8.428 8.428 8.796 -0.368 25675 6507 1 14 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.537 -0.244 25675 6508 1 14 . 1 1 58 58 PRO C C 58 177.241 177.241 177.162 0.079 25675 6509 1 14 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.519 0.073 25675 6510 1 14 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.981 0.307 25675 6511 1 14 . 1 1 59 59 VAL N N 59 117.104 117.104 112.664 4.440 25675 6512 1 14 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.116 -0.207 25675 6513 1 14 . 1 1 59 59 VAL C C 59 177.077 177.077 176.788 0.289 25675 6514 1 14 . 1 1 59 59 VAL CA C 59 64.722 64.722 63.871 0.851 25675 6515 1 14 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.765 0.196 25675 6516 1 14 . 1 1 59 59 VAL H H 59 7.965 7.965 7.982 -0.017 25675 6517 1 14 . 1 1 60 60 SER N N 60 113.119 113.119 114.844 -1.725 25675 6518 1 14 . 1 1 60 60 SER HA H 60 4.427 4.427 4.402 0.025 25675 6519 1 14 . 1 1 60 60 SER C C 60 175.252 175.252 174.274 0.978 25675 6520 1 14 . 1 1 60 60 SER CA C 60 58.314 58.314 59.198 -0.884 25675 6521 1 14 . 1 1 60 60 SER CB C 60 65.134 65.134 64.110 1.024 25675 6522 1 14 . 1 1 60 60 SER H H 60 7.691 7.691 7.406 0.285 25675 6523 1 14 . 1 1 61 61 GLN N N 61 115.138 115.138 116.886 -1.748 25675 6524 1 14 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.973 -0.113 25675 6525 1 14 . 1 1 61 61 GLN C C 61 174.882 174.882 175.272 -0.390 25675 6526 1 14 . 1 1 61 61 GLN CA C 61 57.336 57.336 56.946 0.390 25675 6527 1 14 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.621 -0.621 25675 6528 1 14 . 1 1 61 61 GLN H H 61 8.309 8.309 8.082 0.227 25675 6529 1 14 . 1 1 62 62 CYS N N 62 116.568 116.568 117.210 -0.642 25675 6530 1 14 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.546 -0.014 25675 6531 1 14 . 1 1 62 62 CYS C C 62 174.242 174.242 174.239 0.003 25675 6532 1 14 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.821 -0.737 25675 6533 1 14 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.857 -0.601 25675 6534 1 14 . 1 1 62 62 CYS H H 62 7.664 7.664 8.271 -0.607 25675 6535 1 14 . 1 1 63 63 MET N N 63 122.627 122.627 119.440 3.187 25675 6536 1 14 . 1 1 63 63 MET HA H 63 4.095 4.095 4.648 -0.553 25675 6537 1 14 . 1 1 63 63 MET C C 63 176.437 176.437 175.242 1.195 25675 6538 1 14 . 1 1 63 63 MET CA C 63 54.992 54.992 54.779 0.213 25675 6539 1 14 . 1 1 63 63 MET CB C 63 32.828 32.828 32.614 0.214 25675 6540 1 14 . 1 1 63 63 MET H H 63 8.733 8.733 8.368 0.365 25675 6541 1 14 . 1 1 64 64 ARG N N 64 124.300 124.300 118.858 5.442 25675 6542 1 14 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.654 -0.187 25675 6543 1 14 . 1 1 64 64 ARG C C 64 174.618 174.618 175.249 -0.631 25675 6544 1 14 . 1 1 64 64 ARG CA C 64 53.788 53.788 55.551 -1.763 25675 6545 1 14 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.303 2.232 25675 6546 1 14 . 1 1 64 64 ARG H H 64 8.995 8.995 7.931 1.064 25675 6547 1 14 . 1 1 65 65 GLY N N 65 122.716 122.716 105.605 17.111 25675 6548 1 14 . 1 1 65 65 GLY C C 65 174.589 174.589 173.214 1.375 25675 6549 1 14 . 1 1 65 65 GLY H H 65 8.474 8.474 8.186 0.288 25675 6550 1 14 . 1 1 66 66 VAL N N 66 124.050 124.050 119.531 4.519 25675 6551 1 14 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.758 0.437 25675 6552 1 14 . 1 1 66 66 VAL C C 66 176.220 176.220 175.674 0.546 25675 6553 1 14 . 1 1 66 66 VAL CA C 66 62.477 62.477 62.390 0.087 25675 6554 1 14 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.817 0.860 25675 6555 1 14 . 1 1 66 66 VAL H H 66 8.313 8.313 7.704 0.609 25675 6556 1 14 . 1 1 67 67 ARG N N 67 131.490 131.490 127.928 3.562 25675 6557 1 14 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.566 -0.518 25675 6558 1 14 . 1 1 67 67 ARG C C 67 173.497 173.497 174.378 -0.881 25675 6559 1 14 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.921 3.455 25675 6560 1 14 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.838 -0.906 25675 6561 1 14 . 1 1 67 67 ARG H H 67 9.314 9.314 7.934 1.380 25675 6562 1 14 . 1 1 68 68 LEU N N 68 130.230 130.230 126.805 3.425 25675 6563 1 14 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.598 0.606 25675 6564 1 14 . 1 1 68 68 LEU C C 68 175.950 175.950 174.846 1.104 25675 6565 1 14 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.992 -0.178 25675 6566 1 14 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.433 0.660 25675 6567 1 14 . 1 1 68 68 LEU H H 68 8.299 8.299 8.592 -0.293 25675 6568 1 14 . 1 1 69 69 VAL N N 69 127.090 127.090 127.063 0.027 25675 6569 1 14 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.421 -0.094 25675 6570 1 14 . 1 1 69 69 VAL C C 69 176.155 176.155 175.211 0.944 25675 6571 1 14 . 1 1 69 69 VAL CA C 69 61.354 61.354 60.960 0.394 25675 6572 1 14 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.305 0.800 25675 6573 1 14 . 1 1 69 69 VAL H H 69 9.044 9.044 8.416 0.628 25675 6574 1 14 . 1 1 70 70 GLU N N 70 128.672 128.672 125.958 2.714 25675 6575 1 14 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.997 -0.081 25675 6576 1 14 . 1 1 70 70 GLU C C 70 175.891 175.891 176.508 -0.617 25675 6577 1 14 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.384 -0.554 25675 6578 1 14 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.815 -0.625 25675 6579 1 14 . 1 1 70 70 GLU H H 70 9.646 9.646 9.242 0.404 25675 6580 1 14 . 1 1 71 71 GLY N N 71 117.967 117.967 102.390 15.577 25675 6581 1 14 . 1 1 71 71 GLY C C 71 173.327 173.327 173.854 -0.527 25675 6582 1 14 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.383 0.665 25675 6583 1 14 . 1 1 71 71 GLY H H 71 8.417 8.417 8.247 0.170 25675 6584 1 14 . 1 1 72 72 ILE N N 72 123.402 123.402 123.727 -0.325 25675 6585 1 14 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.370 -0.133 25675 6586 1 14 . 1 1 72 72 ILE C C 72 174.882 174.882 176.088 -1.206 25675 6587 1 14 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.889 -0.461 25675 6588 1 14 . 1 1 72 72 ILE CB C 72 38.851 38.851 38.010 0.841 25675 6589 1 14 . 1 1 72 72 ILE H H 72 8.124 8.124 7.737 0.387 25675 6590 1 14 . 1 1 73 73 LEU N N 73 129.380 129.380 130.332 -0.952 25675 6591 1 14 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.843 0.356 25675 6592 1 14 . 1 1 73 73 LEU C C 73 175.932 175.932 177.166 -1.234 25675 6593 1 14 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.903 0.342 25675 6594 1 14 . 1 1 73 73 LEU CB C 73 41.882 41.882 39.542 2.340 25675 6595 1 14 . 1 1 73 73 LEU H H 73 9.353 9.353 8.510 0.843 25675 6596 1 14 . 1 1 74 74 HIS N N 74 120.040 120.040 127.048 -7.008 25675 6597 1 14 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.572 0.039 25675 6598 1 14 . 1 1 74 74 HIS C C 74 172.371 172.371 173.240 -0.869 25675 6599 1 14 . 1 1 74 74 HIS CA C 74 53.825 53.825 55.476 -1.651 25675 6600 1 14 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.138 -1.287 25675 6601 1 14 . 1 1 74 74 HIS H H 74 8.541 8.541 8.618 -0.077 25675 6602 1 14 . 1 1 75 75 ALA N N 75 125.980 125.980 127.872 -1.892 25675 6603 1 14 . 1 1 75 75 ALA HA H 75 1.749 1.749 4.024 -2.275 25675 6604 1 14 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.371 1.566 25675 6605 1 14 . 1 1 75 75 ALA CB C 75 15.948 15.948 18.426 -2.478 25675 6606 1 14 . 1 1 75 75 ALA H H 75 8.413 8.413 7.961 0.452 25675 6607 1 14 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.226 0.056 25675 6608 1 14 . 1 1 76 76 PRO C C 76 176.185 176.185 176.245 -0.060 25675 6609 1 14 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.800 0.481 25675 6610 1 14 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.215 0.057 25675 6611 1 14 . 1 1 77 77 ASP N N 77 122.297 122.297 115.783 6.514 25675 6612 1 14 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.368 -0.278 25675 6613 1 14 . 1 1 77 77 ASP C C 77 176.977 176.977 176.206 0.771 25675 6614 1 14 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.490 2.014 25675 6615 1 14 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.179 -0.269 25675 6616 1 14 . 1 1 77 77 ASP H H 77 8.454 8.454 8.347 0.107 25675 6617 1 14 . 1 1 78 78 ALA N N 78 118.586 118.586 121.538 -2.952 25675 6618 1 14 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.366 -0.117 25675 6619 1 14 . 1 1 78 78 ALA C C 78 177.458 177.458 177.059 0.399 25675 6620 1 14 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.576 0.148 25675 6621 1 14 . 1 1 78 78 ALA CB C 78 18.746 18.746 19.743 -0.997 25675 6622 1 14 . 1 1 78 78 ALA H H 78 8.032 8.032 7.656 0.376 25675 6623 1 14 . 1 1 79 79 GLY N N 79 107.830 107.830 105.008 2.822 25675 6624 1 14 . 1 1 79 79 GLY C C 79 172.928 172.928 173.532 -0.604 25675 6625 1 14 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.189 -0.848 25675 6626 1 14 . 1 1 79 79 GLY H H 79 7.902 7.902 7.270 0.632 25675 6627 1 14 . 1 1 80 80 TRP N N 80 119.474 119.474 122.387 -2.913 25675 6628 1 14 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.717 -0.182 25675 6629 1 14 . 1 1 80 80 TRP C C 80 180.190 180.190 177.062 3.128 25675 6630 1 14 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.023 0.647 25675 6631 1 14 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.423 0.663 25675 6632 1 14 . 1 1 80 80 TRP H H 80 8.389 8.389 8.391 -0.002 25675 6633 1 14 . 1 1 81 81 GLY N N 81 103.130 103.130 104.913 -1.783 25675 6634 1 14 . 1 1 81 81 GLY C C 81 174.110 174.110 172.666 1.444 25675 6635 1 14 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.959 0.921 25675 6636 1 14 . 1 1 81 81 GLY H H 81 8.519 8.519 8.563 -0.044 25675 6637 1 14 . 1 1 82 82 ASN N N 82 120.652 120.652 117.118 3.534 25675 6638 1 14 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.442 -0.366 25675 6639 1 14 . 1 1 82 82 ASN C C 82 175.211 175.211 175.388 -0.177 25675 6640 1 14 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.290 -0.305 25675 6641 1 14 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.985 -0.328 25675 6642 1 14 . 1 1 82 82 ASN H H 82 8.800 8.800 8.612 0.188 25675 6643 1 14 . 1 1 83 83 LEU N N 83 118.129 118.129 117.260 0.869 25675 6644 1 14 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.747 -0.618 25675 6645 1 14 . 1 1 83 83 LEU C C 83 174.442 174.442 175.503 -1.061 25675 6646 1 14 . 1 1 83 83 LEU CA C 83 54.799 54.799 54.092 0.707 25675 6647 1 14 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.684 -0.827 25675 6648 1 14 . 1 1 83 83 LEU H H 83 6.883 6.883 7.665 -0.782 25675 6649 1 14 . 1 1 84 84 VAL N N 84 118.316 118.316 117.906 0.410 25675 6650 1 14 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.362 -0.307 25675 6651 1 14 . 1 1 84 84 VAL C C 84 174.630 174.630 175.001 -0.371 25675 6652 1 14 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.692 0.751 25675 6653 1 14 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.474 -0.516 25675 6654 1 14 . 1 1 84 84 VAL H H 84 7.835 7.835 7.704 0.131 25675 6655 1 14 . 1 1 85 85 TYR N N 85 128.110 128.110 125.745 2.365 25675 6656 1 14 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.343 -0.646 25675 6657 1 14 . 1 1 85 85 TYR C C 85 174.313 174.313 174.120 0.193 25675 6658 1 14 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.781 3.340 25675 6659 1 14 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.068 0.472 25675 6660 1 14 . 1 1 85 85 TYR H H 85 8.886 8.886 8.777 0.109 25675 6661 1 14 . 1 1 86 86 VAL N N 86 122.593 122.593 123.880 -1.287 25675 6662 1 14 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.932 0.823 25675 6663 1 14 . 1 1 86 86 VAL C C 86 176.531 176.531 176.094 0.437 25675 6664 1 14 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.971 -0.972 25675 6665 1 14 . 1 1 86 86 VAL CB C 86 33.419 33.419 32.532 0.887 25675 6666 1 14 . 1 1 86 86 VAL H H 86 9.473 9.473 7.812 1.661 25675 6667 1 14 . 1 1 87 87 VAL N N 87 124.298 124.298 124.043 0.255 25675 6668 1 14 . 1 1 87 87 VAL HA H 87 3.787 3.787 3.975 -0.188 25675 6669 1 14 . 1 1 87 87 VAL C C 87 174.735 174.735 175.113 -0.378 25675 6670 1 14 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.791 0.935 25675 6671 1 14 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.223 0.500 25675 6672 1 14 . 1 1 87 87 VAL H H 87 7.864 7.864 7.991 -0.127 25675 6673 1 14 . 1 1 88 88 ASN N N 88 123.146 123.146 124.533 -1.387 25675 6674 1 14 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.769 0.005 25675 6675 1 14 . 1 1 88 88 ASN C C 88 172.900 172.900 173.551 -0.651 25675 6676 1 14 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.317 -0.985 25675 6677 1 14 . 1 1 88 88 ASN CB C 88 40.773 40.773 41.126 -0.353 25675 6678 1 14 . 1 1 88 88 ASN H H 88 7.786 7.786 7.955 -0.169 25675 6679 1 15 . 1 1 3 3 GLY C C 3 173.761 173.761 174.280 -0.519 25675 6680 1 15 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.665 0.465 25675 6681 1 15 . 1 1 4 4 SER N N 4 115.011 115.011 118.612 -3.601 25675 6682 1 15 . 1 1 4 4 SER HA H 4 4.304 4.304 4.617 -0.313 25675 6683 1 15 . 1 1 4 4 SER C C 4 174.600 174.600 174.778 -0.178 25675 6684 1 15 . 1 1 4 4 SER CA C 4 57.900 57.900 58.583 -0.683 25675 6685 1 15 . 1 1 4 4 SER CB C 4 63.800 63.800 64.223 -0.423 25675 6686 1 15 . 1 1 4 4 SER H H 4 8.185 8.185 8.604 -0.419 25675 6687 1 15 . 1 1 5 5 HIS N N 5 120.326 120.326 120.733 -0.407 25675 6688 1 15 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.730 -0.128 25675 6689 1 15 . 1 1 5 5 HIS C C 5 174.200 174.200 174.929 -0.729 25675 6690 1 15 . 1 1 5 5 HIS CA C 5 55.268 55.268 56.027 -0.759 25675 6691 1 15 . 1 1 5 5 HIS CB C 5 29.000 29.000 29.735 -0.735 25675 6692 1 15 . 1 1 5 5 HIS H H 5 8.641 8.641 8.698 -0.057 25675 6693 1 15 . 1 1 6 6 HIS N N 6 119.478 119.478 119.998 -0.520 25675 6694 1 15 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.199 0.428 25675 6695 1 15 . 1 1 6 6 HIS C C 6 174.100 174.100 174.544 -0.444 25675 6696 1 15 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.847 -0.579 25675 6697 1 15 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.191 -0.891 25675 6698 1 15 . 1 1 6 6 HIS H H 6 8.555 8.555 7.453 1.102 25675 6699 1 15 . 1 1 7 7 HIS N N 7 120.507 120.507 118.770 1.737 25675 6700 1 15 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.858 -0.277 25675 6701 1 15 . 1 1 7 7 HIS C C 7 174.100 174.100 174.390 -0.290 25675 6702 1 15 . 1 1 7 7 HIS CA C 7 55.268 55.268 54.873 0.395 25675 6703 1 15 . 1 1 7 7 HIS CB C 7 29.300 29.300 31.030 -1.730 25675 6704 1 15 . 1 1 7 7 HIS H H 7 8.777 8.777 7.997 0.780 25675 6705 1 15 . 1 1 8 8 HIS N N 8 120.616 120.616 121.048 -0.432 25675 6706 1 15 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.700 -0.100 25675 6707 1 15 . 1 1 8 8 HIS C C 8 174.200 174.200 175.068 -0.868 25675 6708 1 15 . 1 1 8 8 HIS CA C 8 55.268 55.268 55.680 -0.412 25675 6709 1 15 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.759 -1.459 25675 6710 1 15 . 1 1 8 8 HIS H H 8 8.777 8.777 8.856 -0.079 25675 6711 1 15 . 1 1 9 9 HIS N N 9 121.131 121.131 122.347 -1.216 25675 6712 1 15 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.398 0.182 25675 6713 1 15 . 1 1 9 9 HIS C C 9 173.990 173.990 174.369 -0.379 25675 6714 1 15 . 1 1 9 9 HIS CA C 9 55.000 55.000 56.154 -1.155 25675 6715 1 15 . 1 1 9 9 HIS CB C 9 29.400 29.400 30.255 -0.855 25675 6716 1 15 . 1 1 9 9 HIS H H 9 8.785 8.785 8.058 0.727 25675 6717 1 15 . 1 1 10 10 HIS N N 10 121.437 121.437 122.569 -1.132 25675 6718 1 15 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.542 0.052 25675 6719 1 15 . 1 1 10 10 HIS C C 10 174.577 174.577 175.934 -1.357 25675 6720 1 15 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.365 -0.097 25675 6721 1 15 . 1 1 10 10 HIS CB C 10 28.900 28.900 29.431 -0.531 25675 6722 1 15 . 1 1 10 10 HIS H H 10 8.769 8.769 8.586 0.183 25675 6723 1 15 . 1 1 11 11 GLY N N 11 111.579 111.579 113.635 -2.056 25675 6724 1 15 . 1 1 11 11 GLY C C 11 174.184 174.184 172.938 1.246 25675 6725 1 15 . 1 1 11 11 GLY CA C 11 45.340 45.340 45.540 -0.200 25675 6726 1 15 . 1 1 11 11 GLY H H 11 8.559 8.559 8.685 -0.126 25675 6727 1 15 . 1 1 12 12 SER N N 12 115.987 115.987 115.991 -0.004 25675 6728 1 15 . 1 1 12 12 SER HA H 12 4.407 4.407 4.702 -0.295 25675 6729 1 15 . 1 1 12 12 SER C C 12 174.817 174.817 173.307 1.510 25675 6730 1 15 . 1 1 12 12 SER CA C 12 58.529 58.529 57.658 0.871 25675 6731 1 15 . 1 1 12 12 SER CB C 12 63.780 63.780 64.514 -0.734 25675 6732 1 15 . 1 1 12 12 SER H H 12 8.353 8.353 7.850 0.503 25675 6733 1 15 . 1 1 13 13 MET N N 13 121.805 121.805 122.075 -0.270 25675 6734 1 15 . 1 1 13 13 MET HA H 13 4.521 4.521 4.838 -0.317 25675 6735 1 15 . 1 1 13 13 MET C C 13 176.003 176.003 175.463 0.540 25675 6736 1 15 . 1 1 13 13 MET CA C 13 55.503 55.503 54.883 0.620 25675 6737 1 15 . 1 1 13 13 MET CB C 13 32.843 32.843 34.691 -1.848 25675 6738 1 15 . 1 1 13 13 MET H H 13 8.432 8.432 8.450 -0.018 25675 6739 1 15 . 1 1 14 14 SER N N 14 116.515 116.515 120.152 -3.637 25675 6740 1 15 . 1 1 14 14 SER HA H 14 4.265 4.265 4.518 -0.253 25675 6741 1 15 . 1 1 14 14 SER C C 14 174.055 174.055 174.672 -0.617 25675 6742 1 15 . 1 1 14 14 SER H H 14 8.205 8.205 8.521 -0.316 25675 6743 1 15 . 1 1 15 15 GLU N N 15 122.455 122.455 127.442 -4.987 25675 6744 1 15 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.483 -0.248 25675 6745 1 15 . 1 1 15 15 GLU C C 15 174.900 174.900 175.305 -0.405 25675 6746 1 15 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.928 -0.300 25675 6747 1 15 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.877 -1.652 25675 6748 1 15 . 1 1 15 15 GLU H H 15 8.292 8.292 8.800 -0.508 25675 6749 1 15 . 1 1 16 16 TYR N N 16 118.896 118.896 117.791 1.105 25675 6750 1 15 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.813 0.248 25675 6751 1 15 . 1 1 16 16 TYR C C 16 174.935 174.935 174.356 0.579 25675 6752 1 15 . 1 1 16 16 TYR CA C 16 56.712 56.712 56.294 0.418 25675 6753 1 15 . 1 1 16 16 TYR CB C 16 41.507 41.507 40.608 0.899 25675 6754 1 15 . 1 1 16 16 TYR H H 16 7.955 7.955 7.967 -0.012 25675 6755 1 15 . 1 1 17 17 ILE N N 17 115.711 115.711 121.031 -5.320 25675 6756 1 15 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.358 0.191 25675 6757 1 15 . 1 1 17 17 ILE C C 17 174.747 174.747 173.915 0.832 25675 6758 1 15 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.878 -0.436 25675 6759 1 15 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.223 0.636 25675 6760 1 15 . 1 1 17 17 ILE H H 17 8.890 8.890 7.970 0.920 25675 6761 1 15 . 1 1 18 18 ARG N N 18 123.175 123.175 129.163 -5.988 25675 6762 1 15 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.448 -0.568 25675 6763 1 15 . 1 1 18 18 ARG C C 18 174.988 174.988 175.220 -0.232 25675 6764 1 15 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.636 1.208 25675 6765 1 15 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.474 0.256 25675 6766 1 15 . 1 1 18 18 ARG H H 18 8.636 8.636 8.389 0.247 25675 6767 1 15 . 1 1 19 19 VAL N N 19 122.554 122.554 120.159 2.395 25675 6768 1 15 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.642 -0.178 25675 6769 1 15 . 1 1 19 19 VAL C C 19 173.984 173.984 174.597 -0.613 25675 6770 1 15 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.771 0.123 25675 6771 1 15 . 1 1 19 19 VAL CB C 19 35.709 35.709 36.058 -0.349 25675 6772 1 15 . 1 1 19 19 VAL H H 19 8.916 8.916 8.177 0.739 25675 6773 1 15 . 1 1 20 20 THR N N 20 118.638 118.638 114.176 4.462 25675 6774 1 15 . 1 1 20 20 THR HA H 20 5.081 5.081 4.915 0.166 25675 6775 1 15 . 1 1 20 20 THR C C 20 172.312 172.312 174.538 -2.226 25675 6776 1 15 . 1 1 20 20 THR CA C 20 57.731 57.731 59.686 -1.955 25675 6777 1 15 . 1 1 20 20 THR CB C 20 71.835 71.835 71.658 0.177 25675 6778 1 15 . 1 1 20 20 THR H H 20 8.794 8.794 8.150 0.644 25675 6779 1 15 . 1 1 21 21 GLU N N 21 124.307 124.307 124.128 0.179 25675 6780 1 15 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.532 0.642 25675 6781 1 15 . 1 1 21 21 GLU C C 21 175.258 175.258 176.060 -0.802 25675 6782 1 15 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.778 -1.878 25675 6783 1 15 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.218 -1.266 25675 6784 1 15 . 1 1 21 21 GLU H H 21 8.792 8.792 8.847 -0.055 25675 6785 1 15 . 1 1 22 22 ASP N N 22 117.282 117.282 118.846 -1.564 25675 6786 1 15 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.728 -0.124 25675 6787 1 15 . 1 1 22 22 ASP C C 22 175.387 175.387 176.232 -0.845 25675 6788 1 15 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.312 0.153 25675 6789 1 15 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.480 -0.605 25675 6790 1 15 . 1 1 22 22 ASP H H 22 7.932 7.932 7.573 0.359 25675 6791 1 15 . 1 1 23 23 GLU N N 23 123.785 123.785 121.078 2.707 25675 6792 1 15 . 1 1 23 23 GLU HA H 23 3.938 3.938 3.992 -0.054 25675 6793 1 15 . 1 1 23 23 GLU C C 23 176.062 176.062 177.051 -0.989 25675 6794 1 15 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.697 0.745 25675 6795 1 15 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.587 -0.151 25675 6796 1 15 . 1 1 23 23 GLU H H 23 9.232 9.232 8.633 0.599 25675 6797 1 15 . 1 1 24 24 ASN N N 24 115.807 115.807 117.802 -1.995 25675 6798 1 15 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.639 0.049 25675 6799 1 15 . 1 1 24 24 ASN C C 24 174.636 174.636 175.442 -0.806 25675 6800 1 15 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.521 -0.623 25675 6801 1 15 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.330 0.573 25675 6802 1 15 . 1 1 24 24 ASN H H 24 8.694 8.694 8.316 0.378 25675 6803 1 15 . 1 1 25 25 ASP N N 25 119.629 119.629 118.413 1.216 25675 6804 1 15 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.762 0.193 25675 6805 1 15 . 1 1 25 25 ASP C C 25 175.269 175.269 175.276 -0.007 25675 6806 1 15 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.515 -1.325 25675 6807 1 15 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.451 -1.659 25675 6808 1 15 . 1 1 25 25 ASP H H 25 7.987 7.987 7.965 0.022 25675 6809 1 15 . 1 1 26 26 GLU N N 26 123.692 123.692 119.304 4.388 25675 6810 1 15 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.488 0.034 25675 6811 1 15 . 1 1 26 26 GLU CA C 26 54.120 54.120 53.693 0.427 25675 6812 1 15 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.626 -0.727 25675 6813 1 15 . 1 1 26 26 GLU H H 26 8.718 8.718 8.436 0.282 25675 6814 1 15 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.505 0.224 25675 6815 1 15 . 1 1 27 27 PRO C C 27 176.126 176.126 175.871 0.255 25675 6816 1 15 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.774 -0.423 25675 6817 1 15 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.696 1.823 25675 6818 1 15 . 1 1 28 28 ILE N N 28 118.646 118.646 125.393 -6.747 25675 6819 1 15 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.238 0.236 25675 6820 1 15 . 1 1 28 28 ILE C C 28 175.181 175.181 174.855 0.326 25675 6821 1 15 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.863 -0.415 25675 6822 1 15 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.308 0.318 25675 6823 1 15 . 1 1 28 28 ILE H H 28 9.244 9.244 7.955 1.289 25675 6824 1 15 . 1 1 29 29 GLU N N 29 120.763 120.763 127.572 -6.809 25675 6825 1 15 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.082 -0.176 25675 6826 1 15 . 1 1 29 29 GLU C C 29 175.739 175.739 175.611 0.128 25675 6827 1 15 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.779 0.509 25675 6828 1 15 . 1 1 29 29 GLU CB C 29 29.040 29.040 29.969 -0.929 25675 6829 1 15 . 1 1 29 29 GLU H H 29 8.220 8.220 8.265 -0.045 25675 6830 1 15 . 1 1 30 30 ILE N N 30 124.950 124.950 119.360 5.590 25675 6831 1 15 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.772 -0.026 25675 6832 1 15 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.511 -1.797 25675 6833 1 15 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.544 -0.691 25675 6834 1 15 . 1 1 30 30 ILE H H 30 9.307 9.307 8.403 0.904 25675 6835 1 15 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.622 -0.239 25675 6836 1 15 . 1 1 31 31 PRO C C 31 175.768 175.768 176.150 -0.382 25675 6837 1 15 . 1 1 31 31 PRO CA C 31 62.782 62.782 63.023 -0.241 25675 6838 1 15 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.265 0.102 25675 6839 1 15 . 1 1 32 32 SER N N 32 114.522 114.522 115.082 -0.560 25675 6840 1 15 . 1 1 32 32 SER HA H 32 4.567 4.567 4.691 -0.124 25675 6841 1 15 . 1 1 32 32 SER C C 32 175.170 175.170 173.818 1.352 25675 6842 1 15 . 1 1 32 32 SER CA C 32 56.211 56.211 56.412 -0.201 25675 6843 1 15 . 1 1 32 32 SER CB C 32 65.701 65.701 65.989 -0.288 25675 6844 1 15 . 1 1 32 32 SER H H 32 7.835 7.835 8.193 -0.358 25675 6845 1 15 . 1 1 33 33 GLU N N 33 118.001 118.001 120.736 -2.735 25675 6846 1 15 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.145 0.148 25675 6847 1 15 . 1 1 33 33 GLU C C 33 178.843 178.843 176.612 2.231 25675 6848 1 15 . 1 1 33 33 GLU CB C 33 30.593 30.593 30.442 0.152 25675 6849 1 15 . 1 1 33 33 GLU H H 33 9.229 9.229 8.364 0.865 25675 6850 1 15 . 1 1 34 34 ASP N N 34 122.097 122.097 118.941 3.156 25675 6851 1 15 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.408 -0.136 25675 6852 1 15 . 1 1 34 34 ASP C C 34 175.680 175.680 177.821 -2.141 25675 6853 1 15 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.984 -0.022 25675 6854 1 15 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.992 -0.906 25675 6855 1 15 . 1 1 34 34 ASP H H 34 9.067 9.067 8.720 0.347 25675 6856 1 15 . 1 1 35 35 ASP N N 35 115.678 115.678 116.671 -0.993 25675 6857 1 15 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.420 0.075 25675 6858 1 15 . 1 1 35 35 ASP C C 35 177.470 177.470 177.098 0.372 25675 6859 1 15 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.254 -2.338 25675 6860 1 15 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.158 -0.345 25675 6861 1 15 . 1 1 35 35 ASP H H 35 7.701 7.701 8.534 -0.833 25675 6862 1 15 . 1 1 36 36 GLY N N 36 107.781 107.781 106.665 1.116 25675 6863 1 15 . 1 1 36 36 GLY C C 36 175.387 175.387 174.629 0.758 25675 6864 1 15 . 1 1 36 36 GLY CA C 36 45.526 45.526 44.884 0.642 25675 6865 1 15 . 1 1 36 36 GLY H H 36 8.211 8.211 7.636 0.575 25675 6866 1 15 . 1 1 37 37 THR N N 37 113.224 113.224 115.048 -1.824 25675 6867 1 15 . 1 1 37 37 THR HA H 37 4.787 4.787 4.545 0.242 25675 6868 1 15 . 1 1 37 37 THR C C 37 175.874 175.874 173.973 1.901 25675 6869 1 15 . 1 1 37 37 THR CA C 37 61.569 61.569 62.775 -1.206 25675 6870 1 15 . 1 1 37 37 THR CB C 37 71.292 71.292 70.192 1.101 25675 6871 1 15 . 1 1 37 37 THR H H 37 7.890 7.890 8.354 -0.464 25675 6872 1 15 . 1 1 38 38 VAL N N 38 117.698 117.698 119.762 -2.064 25675 6873 1 15 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.379 -0.032 25675 6874 1 15 . 1 1 38 38 VAL C C 38 175.187 175.187 174.364 0.823 25675 6875 1 15 . 1 1 38 38 VAL CA C 38 61.037 61.037 60.898 0.139 25675 6876 1 15 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.249 0.225 25675 6877 1 15 . 1 1 38 38 VAL H H 38 8.382 8.382 8.007 0.375 25675 6878 1 15 . 1 1 39 39 LEU N N 39 126.182 126.182 127.181 -0.999 25675 6879 1 15 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.288 0.211 25675 6880 1 15 . 1 1 39 39 LEU C C 39 178.655 178.655 177.216 1.439 25675 6881 1 15 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.236 -0.242 25675 6882 1 15 . 1 1 39 39 LEU CB C 39 40.660 40.660 43.386 -2.726 25675 6883 1 15 . 1 1 39 39 LEU H H 39 8.516 8.516 8.653 -0.137 25675 6884 1 15 . 1 1 40 40 LEU N N 40 125.652 125.652 125.994 -0.342 25675 6885 1 15 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.116 -0.143 25675 6886 1 15 . 1 1 40 40 LEU C C 40 178.620 178.620 178.461 0.159 25675 6887 1 15 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.813 0.443 25675 6888 1 15 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.004 -0.006 25675 6889 1 15 . 1 1 40 40 LEU H H 40 8.666 8.666 8.842 -0.176 25675 6890 1 15 . 1 1 41 41 SER N N 41 112.797 112.797 113.572 -0.775 25675 6891 1 15 . 1 1 41 41 SER HA H 41 4.359 4.359 4.254 0.105 25675 6892 1 15 . 1 1 41 41 SER C C 41 176.760 176.760 176.499 0.261 25675 6893 1 15 . 1 1 41 41 SER CA C 41 60.390 60.390 61.834 -1.444 25675 6894 1 15 . 1 1 41 41 SER CB C 41 62.032 62.032 62.883 -0.851 25675 6895 1 15 . 1 1 41 41 SER H H 41 8.758 8.758 8.279 0.479 25675 6896 1 15 . 1 1 42 42 THR N N 42 121.066 121.066 118.626 2.440 25675 6897 1 15 . 1 1 42 42 THR HA H 42 3.993 3.993 4.028 -0.035 25675 6898 1 15 . 1 1 42 42 THR C C 42 176.226 176.226 175.866 0.360 25675 6899 1 15 . 1 1 42 42 THR CA C 42 65.206 65.206 65.352 -0.146 25675 6900 1 15 . 1 1 42 42 THR CB C 42 67.912 67.912 68.384 -0.472 25675 6901 1 15 . 1 1 42 42 THR H H 42 7.461 7.461 7.477 -0.016 25675 6902 1 15 . 1 1 43 43 VAL N N 43 120.996 120.996 120.557 0.439 25675 6903 1 15 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.723 -0.129 25675 6904 1 15 . 1 1 43 43 VAL C C 43 178.796 178.796 177.413 1.383 25675 6905 1 15 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.115 0.693 25675 6906 1 15 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.472 0.368 25675 6907 1 15 . 1 1 43 43 VAL H H 43 7.288 7.288 7.578 -0.290 25675 6908 1 15 . 1 1 44 44 THR N N 44 113.305 113.305 110.902 2.403 25675 6909 1 15 . 1 1 44 44 THR HA H 44 4.202 4.202 4.400 -0.198 25675 6910 1 15 . 1 1 44 44 THR C C 44 176.337 176.337 175.443 0.894 25675 6911 1 15 . 1 1 44 44 THR CA C 44 64.358 64.358 64.432 -0.074 25675 6912 1 15 . 1 1 44 44 THR CB C 44 68.969 68.969 68.841 0.128 25675 6913 1 15 . 1 1 44 44 THR H H 44 9.189 9.189 7.497 1.692 25675 6914 1 15 . 1 1 45 45 ALA N N 45 121.618 121.618 123.818 -2.200 25675 6915 1 15 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.106 -0.057 25675 6916 1 15 . 1 1 45 45 ALA C C 45 178.685 178.685 178.804 -0.119 25675 6917 1 15 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.452 0.174 25675 6918 1 15 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.850 -0.573 25675 6919 1 15 . 1 1 45 45 ALA H H 45 7.274 7.274 7.295 -0.021 25675 6920 1 15 . 1 1 46 46 GLN N N 46 112.595 112.595 114.080 -1.485 25675 6921 1 15 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.281 -0.151 25675 6922 1 15 . 1 1 46 46 GLN C C 46 174.823 174.823 175.627 -0.804 25675 6923 1 15 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.807 -0.557 25675 6924 1 15 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.609 -0.689 25675 6925 1 15 . 1 1 46 46 GLN H H 46 6.860 6.860 7.609 -0.749 25675 6926 1 15 . 1 1 47 47 PHE N N 47 118.197 118.197 118.745 -0.548 25675 6927 1 15 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.106 -0.141 25675 6928 1 15 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.926 0.815 25675 6929 1 15 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.053 0.561 25675 6930 1 15 . 1 1 47 47 PHE H H 47 8.344 8.344 7.620 0.724 25675 6931 1 15 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.514 -0.074 25675 6932 1 15 . 1 1 48 48 PRO C C 48 178.626 178.626 177.720 0.906 25675 6933 1 15 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.585 0.755 25675 6934 1 15 . 1 1 48 48 PRO CB C 48 31.446 31.446 32.316 -0.871 25675 6935 1 15 . 1 1 49 49 GLY N N 49 111.697 111.697 110.431 1.266 25675 6936 1 15 . 1 1 49 49 GLY C C 49 174.307 174.307 174.087 0.220 25675 6937 1 15 . 1 1 49 49 GLY CA C 49 44.761 44.761 45.155 -0.394 25675 6938 1 15 . 1 1 49 49 GLY H H 49 8.849 8.849 8.708 0.141 25675 6939 1 15 . 1 1 50 50 ALA N N 50 122.602 122.602 121.652 0.950 25675 6940 1 15 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.580 -0.752 25675 6941 1 15 . 1 1 50 50 ALA C C 50 177.534 177.534 175.934 1.600 25675 6942 1 15 . 1 1 50 50 ALA CA C 50 53.406 53.406 51.924 1.482 25675 6943 1 15 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.840 1.550 25675 6944 1 15 . 1 1 50 50 ALA H H 50 8.032 8.032 7.569 0.463 25675 6945 1 15 . 1 1 51 51 CYS N N 51 114.410 114.410 123.521 -9.111 25675 6946 1 15 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.611 -0.066 25675 6947 1 15 . 1 1 51 51 CYS C C 51 174.248 174.248 175.062 -0.814 25675 6948 1 15 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.663 -2.256 25675 6949 1 15 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.840 -0.027 25675 6950 1 15 . 1 1 51 51 CYS H H 51 9.094 9.094 8.125 0.969 25675 6951 1 15 . 1 1 52 52 GLY N N 52 106.620 106.620 107.859 -1.239 25675 6952 1 15 . 1 1 52 52 GLY C C 52 170.769 170.769 171.903 -1.134 25675 6953 1 15 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.420 0.541 25675 6954 1 15 . 1 1 52 52 GLY H H 52 7.467 7.467 8.259 -0.792 25675 6955 1 15 . 1 1 53 53 LEU N N 53 117.961 117.961 122.021 -4.060 25675 6956 1 15 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.309 0.036 25675 6957 1 15 . 1 1 53 53 LEU C C 53 175.563 175.563 176.109 -0.546 25675 6958 1 15 . 1 1 53 53 LEU CA C 53 53.652 53.652 53.274 0.378 25675 6959 1 15 . 1 1 53 53 LEU CB C 53 48.585 48.585 45.255 3.330 25675 6960 1 15 . 1 1 53 53 LEU H H 53 8.900 8.900 8.356 0.544 25675 6961 1 15 . 1 1 54 54 ARG N N 54 119.739 119.739 120.128 -0.389 25675 6962 1 15 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.495 1.116 25675 6963 1 15 . 1 1 54 54 ARG C C 54 173.638 173.638 174.504 -0.866 25675 6964 1 15 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.507 -0.060 25675 6965 1 15 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.035 0.503 25675 6966 1 15 . 1 1 54 54 ARG H H 54 9.493 9.493 8.193 1.300 25675 6967 1 15 . 1 1 55 55 TYR N N 55 115.879 115.879 118.525 -2.646 25675 6968 1 15 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.765 0.023 25675 6969 1 15 . 1 1 55 55 TYR C C 55 172.417 172.417 174.574 -2.157 25675 6970 1 15 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.799 -1.806 25675 6971 1 15 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.262 0.838 25675 6972 1 15 . 1 1 55 55 TYR H H 55 8.972 8.972 8.094 0.878 25675 6973 1 15 . 1 1 56 56 ARG N N 56 121.380 121.380 123.976 -2.596 25675 6974 1 15 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.726 -0.443 25675 6975 1 15 . 1 1 56 56 ARG C C 56 175.598 175.598 174.077 1.521 25675 6976 1 15 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.608 0.559 25675 6977 1 15 . 1 1 56 56 ARG CB C 56 30.753 30.753 31.849 -1.096 25675 6978 1 15 . 1 1 56 56 ARG H H 56 8.883 8.883 8.410 0.473 25675 6979 1 15 . 1 1 57 57 ASN N N 57 127.980 127.980 124.857 3.123 25675 6980 1 15 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.238 -0.430 25675 6981 1 15 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.367 0.888 25675 6982 1 15 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.246 -1.505 25675 6983 1 15 . 1 1 57 57 ASN H H 57 8.428 8.428 8.772 -0.344 25675 6984 1 15 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.470 -0.177 25675 6985 1 15 . 1 1 58 58 PRO C C 58 177.241 177.241 176.937 0.304 25675 6986 1 15 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.552 0.040 25675 6987 1 15 . 1 1 58 58 PRO CB C 58 32.288 32.288 32.145 0.143 25675 6988 1 15 . 1 1 59 59 VAL N N 59 117.104 117.104 113.330 3.774 25675 6989 1 15 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.074 -0.165 25675 6990 1 15 . 1 1 59 59 VAL C C 59 177.077 177.077 176.455 0.622 25675 6991 1 15 . 1 1 59 59 VAL CA C 59 64.722 64.722 63.760 0.962 25675 6992 1 15 . 1 1 59 59 VAL CB C 59 31.961 31.961 32.014 -0.053 25675 6993 1 15 . 1 1 59 59 VAL H H 59 7.965 7.965 7.536 0.429 25675 6994 1 15 . 1 1 60 60 SER N N 60 113.119 113.119 115.089 -1.970 25675 6995 1 15 . 1 1 60 60 SER HA H 60 4.427 4.427 4.326 0.101 25675 6996 1 15 . 1 1 60 60 SER C C 60 175.252 175.252 174.817 0.435 25675 6997 1 15 . 1 1 60 60 SER CA C 60 58.314 58.314 59.822 -1.508 25675 6998 1 15 . 1 1 60 60 SER CB C 60 65.134 65.134 63.434 1.700 25675 6999 1 15 . 1 1 60 60 SER H H 60 7.691 7.691 7.882 -0.191 25675 7000 1 15 . 1 1 61 61 GLN N N 61 115.138 115.138 115.164 -0.026 25675 7001 1 15 . 1 1 61 61 GLN HA H 61 3.860 3.860 4.007 -0.147 25675 7002 1 15 . 1 1 61 61 GLN C C 61 174.882 174.882 175.178 -0.296 25675 7003 1 15 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.214 0.122 25675 7004 1 15 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.319 -0.319 25675 7005 1 15 . 1 1 61 61 GLN H H 61 8.309 8.309 8.028 0.281 25675 7006 1 15 . 1 1 62 62 CYS N N 62 116.568 116.568 117.431 -0.863 25675 7007 1 15 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.617 -0.085 25675 7008 1 15 . 1 1 62 62 CYS C C 62 174.242 174.242 174.428 -0.186 25675 7009 1 15 . 1 1 62 62 CYS CA C 62 58.084 58.084 57.680 0.404 25675 7010 1 15 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.653 -0.397 25675 7011 1 15 . 1 1 62 62 CYS H H 62 7.664 7.664 7.913 -0.249 25675 7012 1 15 . 1 1 63 63 MET N N 63 122.627 122.627 120.316 2.311 25675 7013 1 15 . 1 1 63 63 MET HA H 63 4.095 4.095 4.823 -0.728 25675 7014 1 15 . 1 1 63 63 MET C C 63 176.437 176.437 174.902 1.535 25675 7015 1 15 . 1 1 63 63 MET CA C 63 54.992 54.992 54.647 0.345 25675 7016 1 15 . 1 1 63 63 MET CB C 63 32.828 32.828 32.739 0.089 25675 7017 1 15 . 1 1 63 63 MET H H 63 8.733 8.733 8.356 0.377 25675 7018 1 15 . 1 1 64 64 ARG N N 64 124.300 124.300 119.436 4.864 25675 7019 1 15 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.511 -0.044 25675 7020 1 15 . 1 1 64 64 ARG C C 64 174.618 174.618 175.509 -0.891 25675 7021 1 15 . 1 1 64 64 ARG CA C 64 53.788 53.788 55.786 -1.998 25675 7022 1 15 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.154 2.381 25675 7023 1 15 . 1 1 64 64 ARG H H 64 8.995 8.995 7.786 1.209 25675 7024 1 15 . 1 1 65 65 GLY N N 65 122.716 122.716 105.750 16.966 25675 7025 1 15 . 1 1 65 65 GLY C C 65 174.589 174.589 173.524 1.065 25675 7026 1 15 . 1 1 65 65 GLY H H 65 8.474 8.474 8.191 0.283 25675 7027 1 15 . 1 1 66 66 VAL N N 66 124.050 124.050 120.379 3.671 25675 7028 1 15 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.673 0.522 25675 7029 1 15 . 1 1 66 66 VAL C C 66 176.220 176.220 175.376 0.844 25675 7030 1 15 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.429 -0.952 25675 7031 1 15 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.339 0.338 25675 7032 1 15 . 1 1 66 66 VAL H H 66 8.313 8.313 7.754 0.559 25675 7033 1 15 . 1 1 67 67 ARG N N 67 131.490 131.490 127.921 3.569 25675 7034 1 15 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.568 -0.520 25675 7035 1 15 . 1 1 67 67 ARG C C 67 173.497 173.497 174.085 -0.588 25675 7036 1 15 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.794 3.582 25675 7037 1 15 . 1 1 67 67 ARG CB C 67 30.932 30.932 32.001 -1.069 25675 7038 1 15 . 1 1 67 67 ARG H H 67 9.314 9.314 7.936 1.378 25675 7039 1 15 . 1 1 68 68 LEU N N 68 130.230 130.230 126.692 3.538 25675 7040 1 15 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.686 0.518 25675 7041 1 15 . 1 1 68 68 LEU C C 68 175.950 175.950 175.156 0.794 25675 7042 1 15 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.900 -0.086 25675 7043 1 15 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.613 0.480 25675 7044 1 15 . 1 1 68 68 LEU H H 68 8.299 8.299 8.596 -0.297 25675 7045 1 15 . 1 1 69 69 VAL N N 69 127.090 127.090 126.969 0.121 25675 7046 1 15 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.409 -0.082 25675 7047 1 15 . 1 1 69 69 VAL C C 69 176.155 176.155 175.283 0.872 25675 7048 1 15 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.427 -0.073 25675 7049 1 15 . 1 1 69 69 VAL CB C 69 35.105 35.105 33.928 1.177 25675 7050 1 15 . 1 1 69 69 VAL H H 69 9.044 9.044 8.786 0.258 25675 7051 1 15 . 1 1 70 70 GLU N N 70 128.672 128.672 126.017 2.655 25675 7052 1 15 . 1 1 70 70 GLU HA H 70 3.916 3.916 4.034 -0.118 25675 7053 1 15 . 1 1 70 70 GLU C C 70 175.891 175.891 176.271 -0.380 25675 7054 1 15 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.541 -0.711 25675 7055 1 15 . 1 1 70 70 GLU CB C 70 27.190 27.190 28.018 -0.828 25675 7056 1 15 . 1 1 70 70 GLU H H 70 9.646 9.646 9.456 0.190 25675 7057 1 15 . 1 1 71 71 GLY N N 71 117.967 117.967 102.200 15.767 25675 7058 1 15 . 1 1 71 71 GLY C C 71 173.327 173.327 174.039 -0.712 25675 7059 1 15 . 1 1 71 71 GLY CA C 71 46.048 46.048 44.970 1.078 25675 7060 1 15 . 1 1 71 71 GLY H H 71 8.417 8.417 8.494 -0.077 25675 7061 1 15 . 1 1 72 72 ILE N N 72 123.402 123.402 123.567 -0.165 25675 7062 1 15 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.422 -0.185 25675 7063 1 15 . 1 1 72 72 ILE C C 72 174.882 174.882 176.030 -1.148 25675 7064 1 15 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.712 -0.284 25675 7065 1 15 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.872 0.979 25675 7066 1 15 . 1 1 72 72 ILE H H 72 8.124 8.124 7.847 0.277 25675 7067 1 15 . 1 1 73 73 LEU N N 73 129.380 129.380 130.219 -0.839 25675 7068 1 15 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.883 0.316 25675 7069 1 15 . 1 1 73 73 LEU C C 73 175.932 175.932 177.049 -1.117 25675 7070 1 15 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.903 0.342 25675 7071 1 15 . 1 1 73 73 LEU CB C 73 41.882 41.882 39.727 2.155 25675 7072 1 15 . 1 1 73 73 LEU H H 73 9.353 9.353 8.472 0.881 25675 7073 1 15 . 1 1 74 74 HIS N N 74 120.040 120.040 126.077 -6.037 25675 7074 1 15 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.593 0.018 25675 7075 1 15 . 1 1 74 74 HIS C C 74 172.371 172.371 173.966 -1.595 25675 7076 1 15 . 1 1 74 74 HIS CA C 74 53.825 53.825 55.619 -1.794 25675 7077 1 15 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.792 -1.941 25675 7078 1 15 . 1 1 74 74 HIS H H 74 8.541 8.541 8.612 -0.071 25675 7079 1 15 . 1 1 75 75 ALA N N 75 125.980 125.980 128.965 -2.985 25675 7080 1 15 . 1 1 75 75 ALA HA H 75 1.749 1.749 4.081 -2.332 25675 7081 1 15 . 1 1 75 75 ALA CA C 75 49.937 49.937 49.008 0.929 25675 7082 1 15 . 1 1 75 75 ALA CB C 75 15.948 15.948 18.363 -2.415 25675 7083 1 15 . 1 1 75 75 ALA H H 75 8.413 8.413 8.220 0.193 25675 7084 1 15 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.391 -0.109 25675 7085 1 15 . 1 1 76 76 PRO C C 76 176.185 176.185 176.270 -0.085 25675 7086 1 15 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.876 0.405 25675 7087 1 15 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.503 -0.231 25675 7088 1 15 . 1 1 77 77 ASP N N 77 122.297 122.297 117.189 5.108 25675 7089 1 15 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.456 -0.366 25675 7090 1 15 . 1 1 77 77 ASP C C 77 176.977 176.977 176.824 0.153 25675 7091 1 15 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.434 2.070 25675 7092 1 15 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.397 -0.487 25675 7093 1 15 . 1 1 77 77 ASP H H 77 8.454 8.454 8.375 0.079 25675 7094 1 15 . 1 1 78 78 ALA N N 78 118.586 118.586 121.106 -2.520 25675 7095 1 15 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.350 -0.101 25675 7096 1 15 . 1 1 78 78 ALA C C 78 177.458 177.458 177.625 -0.167 25675 7097 1 15 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.535 0.189 25675 7098 1 15 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.149 -1.403 25675 7099 1 15 . 1 1 78 78 ALA H H 78 8.032 8.032 7.638 0.394 25675 7100 1 15 . 1 1 79 79 GLY N N 79 107.830 107.830 105.025 2.805 25675 7101 1 15 . 1 1 79 79 GLY C C 79 172.928 172.928 174.094 -1.166 25675 7102 1 15 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.347 -1.006 25675 7103 1 15 . 1 1 79 79 GLY H H 79 7.902 7.902 7.315 0.587 25675 7104 1 15 . 1 1 80 80 TRP N N 80 119.474 119.474 123.247 -3.773 25675 7105 1 15 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.998 -0.463 25675 7106 1 15 . 1 1 80 80 TRP C C 80 180.190 180.190 177.469 2.721 25675 7107 1 15 . 1 1 80 80 TRP CA C 80 58.670 58.670 57.952 0.718 25675 7108 1 15 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.714 0.372 25675 7109 1 15 . 1 1 80 80 TRP H H 80 8.389 8.389 8.525 -0.136 25675 7110 1 15 . 1 1 81 81 GLY N N 81 103.130 103.130 105.073 -1.943 25675 7111 1 15 . 1 1 81 81 GLY C C 81 174.110 174.110 172.619 1.491 25675 7112 1 15 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.918 0.961 25675 7113 1 15 . 1 1 81 81 GLY H H 81 8.519 8.519 8.517 0.002 25675 7114 1 15 . 1 1 82 82 ASN N N 82 120.652 120.652 117.556 3.096 25675 7115 1 15 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.408 -0.332 25675 7116 1 15 . 1 1 82 82 ASN C C 82 175.211 175.211 175.056 0.155 25675 7117 1 15 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.263 -0.278 25675 7118 1 15 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.846 -0.189 25675 7119 1 15 . 1 1 82 82 ASN H H 82 8.800 8.800 8.581 0.219 25675 7120 1 15 . 1 1 83 83 LEU N N 83 118.129 118.129 115.301 2.828 25675 7121 1 15 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.736 -0.607 25675 7122 1 15 . 1 1 83 83 LEU C C 83 174.442 174.442 175.516 -1.074 25675 7123 1 15 . 1 1 83 83 LEU CA C 83 54.799 54.799 52.904 1.895 25675 7124 1 15 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.792 -0.935 25675 7125 1 15 . 1 1 83 83 LEU H H 83 6.883 6.883 7.614 -0.731 25675 7126 1 15 . 1 1 84 84 VAL N N 84 118.316 118.316 117.553 0.763 25675 7127 1 15 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.331 -0.276 25675 7128 1 15 . 1 1 84 84 VAL C C 84 174.630 174.630 175.080 -0.450 25675 7129 1 15 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.778 0.665 25675 7130 1 15 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.627 -0.669 25675 7131 1 15 . 1 1 84 84 VAL H H 84 7.835 7.835 7.714 0.121 25675 7132 1 15 . 1 1 85 85 TYR N N 85 128.110 128.110 125.189 2.921 25675 7133 1 15 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.401 -0.704 25675 7134 1 15 . 1 1 85 85 TYR C C 85 174.313 174.313 174.238 0.075 25675 7135 1 15 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.719 3.402 25675 7136 1 15 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.535 0.005 25675 7137 1 15 . 1 1 85 85 TYR H H 85 8.886 8.886 8.900 -0.014 25675 7138 1 15 . 1 1 86 86 VAL N N 86 122.593 122.593 125.121 -2.528 25675 7139 1 15 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.927 0.828 25675 7140 1 15 . 1 1 86 86 VAL C C 86 176.531 176.531 176.019 0.512 25675 7141 1 15 . 1 1 86 86 VAL CA C 86 59.999 59.999 61.398 -1.399 25675 7142 1 15 . 1 1 86 86 VAL CB C 86 33.419 33.419 32.377 1.042 25675 7143 1 15 . 1 1 86 86 VAL H H 86 9.473 9.473 7.980 1.493 25675 7144 1 15 . 1 1 87 87 VAL N N 87 124.298 124.298 124.175 0.123 25675 7145 1 15 . 1 1 87 87 VAL HA H 87 3.787 3.787 3.936 -0.149 25675 7146 1 15 . 1 1 87 87 VAL C C 87 174.735 174.735 174.949 -0.214 25675 7147 1 15 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.424 1.302 25675 7148 1 15 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.534 1.189 25675 7149 1 15 . 1 1 87 87 VAL H H 87 7.864 7.864 8.026 -0.162 25675 7150 1 15 . 1 1 88 88 ASN N N 88 123.146 123.146 125.202 -2.056 25675 7151 1 15 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.761 0.013 25675 7152 1 15 . 1 1 88 88 ASN C C 88 172.900 172.900 173.510 -0.610 25675 7153 1 15 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.081 -0.749 25675 7154 1 15 . 1 1 88 88 ASN CB C 88 40.773 40.773 41.173 -0.400 25675 7155 1 15 . 1 1 88 88 ASN H H 88 7.786 7.786 7.966 -0.180 25675 7156 1 16 . 1 1 3 3 GLY C C 3 173.761 173.761 174.822 -1.061 25675 7157 1 16 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.378 -0.248 25675 7158 1 16 . 1 1 4 4 SER N N 4 115.011 115.011 114.970 0.041 25675 7159 1 16 . 1 1 4 4 SER HA H 4 4.304 4.304 4.738 -0.434 25675 7160 1 16 . 1 1 4 4 SER C C 4 174.600 174.600 173.004 1.596 25675 7161 1 16 . 1 1 4 4 SER CA C 4 57.900 57.900 57.544 0.357 25675 7162 1 16 . 1 1 4 4 SER CB C 4 63.800 63.800 65.752 -1.952 25675 7163 1 16 . 1 1 4 4 SER H H 4 8.185 8.185 8.000 0.185 25675 7164 1 16 . 1 1 5 5 HIS N N 5 120.326 120.326 122.177 -1.851 25675 7165 1 16 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.931 -0.329 25675 7166 1 16 . 1 1 5 5 HIS C C 5 174.200 174.200 174.346 -0.146 25675 7167 1 16 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.750 -0.482 25675 7168 1 16 . 1 1 5 5 HIS CB C 5 29.000 29.000 31.370 -2.370 25675 7169 1 16 . 1 1 5 5 HIS H H 5 8.641 8.641 8.470 0.171 25675 7170 1 16 . 1 1 6 6 HIS N N 6 119.478 119.478 121.566 -2.088 25675 7171 1 16 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.570 0.057 25675 7172 1 16 . 1 1 6 6 HIS C C 6 174.100 174.100 174.977 -0.877 25675 7173 1 16 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.568 -0.300 25675 7174 1 16 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.852 -1.552 25675 7175 1 16 . 1 1 6 6 HIS H H 6 8.555 8.555 8.500 0.055 25675 7176 1 16 . 1 1 7 7 HIS N N 7 120.507 120.507 119.822 0.685 25675 7177 1 16 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.468 0.113 25675 7178 1 16 . 1 1 7 7 HIS C C 7 174.100 174.100 175.445 -1.345 25675 7179 1 16 . 1 1 7 7 HIS CA C 7 55.268 55.268 55.902 -0.634 25675 7180 1 16 . 1 1 7 7 HIS CB C 7 29.300 29.300 30.770 -1.470 25675 7181 1 16 . 1 1 7 7 HIS H H 7 8.777 8.777 8.191 0.586 25675 7182 1 16 . 1 1 8 8 HIS N N 8 120.616 120.616 122.744 -2.128 25675 7183 1 16 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.305 0.295 25675 7184 1 16 . 1 1 8 8 HIS C C 8 174.200 174.200 175.977 -1.777 25675 7185 1 16 . 1 1 8 8 HIS CA C 8 55.268 55.268 57.791 -2.523 25675 7186 1 16 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.224 -0.924 25675 7187 1 16 . 1 1 8 8 HIS H H 8 8.777 8.777 8.435 0.342 25675 7188 1 16 . 1 1 9 9 HIS N N 9 121.131 121.131 117.872 3.259 25675 7189 1 16 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.666 -0.086 25675 7190 1 16 . 1 1 9 9 HIS C C 9 173.990 173.990 176.435 -2.445 25675 7191 1 16 . 1 1 9 9 HIS CA C 9 55.000 55.000 56.308 -1.308 25675 7192 1 16 . 1 1 9 9 HIS CB C 9 29.400 29.400 30.537 -1.137 25675 7193 1 16 . 1 1 9 9 HIS H H 9 8.785 8.785 8.237 0.548 25675 7194 1 16 . 1 1 10 10 HIS N N 10 121.437 121.437 120.049 1.388 25675 7195 1 16 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.409 0.185 25675 7196 1 16 . 1 1 10 10 HIS C C 10 174.577 174.577 176.039 -1.462 25675 7197 1 16 . 1 1 10 10 HIS CA C 10 55.268 55.268 57.351 -2.083 25675 7198 1 16 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.687 -1.787 25675 7199 1 16 . 1 1 10 10 HIS H H 10 8.769 8.769 8.810 -0.041 25675 7200 1 16 . 1 1 11 11 GLY N N 11 111.579 111.579 108.186 3.393 25675 7201 1 16 . 1 1 11 11 GLY C C 11 174.184 174.184 173.746 0.438 25675 7202 1 16 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.597 0.743 25675 7203 1 16 . 1 1 11 11 GLY H H 11 8.559 8.559 8.205 0.354 25675 7204 1 16 . 1 1 12 12 SER N N 12 115.987 115.987 115.181 0.806 25675 7205 1 16 . 1 1 12 12 SER HA H 12 4.407 4.407 4.305 0.102 25675 7206 1 16 . 1 1 12 12 SER C C 12 174.817 174.817 174.091 0.726 25675 7207 1 16 . 1 1 12 12 SER CA C 12 58.529 58.529 59.078 -0.549 25675 7208 1 16 . 1 1 12 12 SER CB C 12 63.780 63.780 63.421 0.359 25675 7209 1 16 . 1 1 12 12 SER H H 12 8.353 8.353 8.300 0.053 25675 7210 1 16 . 1 1 13 13 MET N N 13 121.805 121.805 123.556 -1.751 25675 7211 1 16 . 1 1 13 13 MET HA H 13 4.521 4.521 4.696 -0.174 25675 7212 1 16 . 1 1 13 13 MET C C 13 176.003 176.003 174.374 1.629 25675 7213 1 16 . 1 1 13 13 MET CA C 13 55.503 55.503 55.389 0.114 25675 7214 1 16 . 1 1 13 13 MET CB C 13 32.843 32.843 33.466 -0.623 25675 7215 1 16 . 1 1 13 13 MET H H 13 8.432 8.432 8.557 -0.125 25675 7216 1 16 . 1 1 14 14 SER N N 14 116.515 116.515 120.002 -3.487 25675 7217 1 16 . 1 1 14 14 SER HA H 14 4.265 4.265 4.801 -0.536 25675 7218 1 16 . 1 1 14 14 SER C C 14 174.055 174.055 173.551 0.504 25675 7219 1 16 . 1 1 14 14 SER H H 14 8.205 8.205 8.487 -0.282 25675 7220 1 16 . 1 1 15 15 GLU N N 15 122.455 122.455 126.174 -3.719 25675 7221 1 16 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.814 -0.579 25675 7222 1 16 . 1 1 15 15 GLU C C 15 174.900 174.900 174.923 -0.023 25675 7223 1 16 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.453 0.175 25675 7224 1 16 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.903 -1.678 25675 7225 1 16 . 1 1 15 15 GLU H H 15 8.292 8.292 9.002 -0.710 25675 7226 1 16 . 1 1 16 16 TYR N N 16 118.896 118.896 114.567 4.329 25675 7227 1 16 . 1 1 16 16 TYR HA H 16 5.061 5.061 5.029 0.032 25675 7228 1 16 . 1 1 16 16 TYR C C 16 174.935 174.935 174.290 0.645 25675 7229 1 16 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.902 0.810 25675 7230 1 16 . 1 1 16 16 TYR CB C 16 41.507 41.507 41.193 0.314 25675 7231 1 16 . 1 1 16 16 TYR H H 16 7.955 7.955 7.828 0.127 25675 7232 1 16 . 1 1 17 17 ILE N N 17 115.711 115.711 121.339 -5.628 25675 7233 1 16 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.398 0.151 25675 7234 1 16 . 1 1 17 17 ILE C C 17 174.747 174.747 173.879 0.868 25675 7235 1 16 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.920 -0.478 25675 7236 1 16 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.177 0.682 25675 7237 1 16 . 1 1 17 17 ILE H H 17 8.890 8.890 8.059 0.831 25675 7238 1 16 . 1 1 18 18 ARG N N 18 123.175 123.175 129.390 -6.215 25675 7239 1 16 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.368 -0.488 25675 7240 1 16 . 1 1 18 18 ARG C C 18 174.988 174.988 175.141 -0.153 25675 7241 1 16 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.674 1.170 25675 7242 1 16 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.405 0.325 25675 7243 1 16 . 1 1 18 18 ARG H H 18 8.636 8.636 8.405 0.231 25675 7244 1 16 . 1 1 19 19 VAL N N 19 122.554 122.554 120.066 2.488 25675 7245 1 16 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.697 -0.233 25675 7246 1 16 . 1 1 19 19 VAL C C 19 173.984 173.984 174.505 -0.521 25675 7247 1 16 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.316 0.578 25675 7248 1 16 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.923 -0.214 25675 7249 1 16 . 1 1 19 19 VAL H H 19 8.916 8.916 8.225 0.691 25675 7250 1 16 . 1 1 20 20 THR N N 20 118.638 118.638 114.246 4.392 25675 7251 1 16 . 1 1 20 20 THR HA H 20 5.081 5.081 4.921 0.160 25675 7252 1 16 . 1 1 20 20 THR C C 20 172.312 172.312 174.466 -2.154 25675 7253 1 16 . 1 1 20 20 THR CA C 20 57.731 57.731 59.612 -1.881 25675 7254 1 16 . 1 1 20 20 THR CB C 20 71.835 71.835 71.878 -0.043 25675 7255 1 16 . 1 1 20 20 THR H H 20 8.794 8.794 8.185 0.609 25675 7256 1 16 . 1 1 21 21 GLU N N 21 124.307 124.307 123.251 1.056 25675 7257 1 16 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.418 0.756 25675 7258 1 16 . 1 1 21 21 GLU C C 21 175.258 175.258 176.050 -0.792 25675 7259 1 16 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.951 -2.051 25675 7260 1 16 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.242 -1.290 25675 7261 1 16 . 1 1 21 21 GLU H H 21 8.792 8.792 8.785 0.007 25675 7262 1 16 . 1 1 22 22 ASP N N 22 117.282 117.282 117.895 -0.613 25675 7263 1 16 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.705 -0.101 25675 7264 1 16 . 1 1 22 22 ASP C C 22 175.387 175.387 177.296 -1.909 25675 7265 1 16 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.131 0.334 25675 7266 1 16 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.257 -0.382 25675 7267 1 16 . 1 1 22 22 ASP H H 22 7.932 7.932 7.511 0.421 25675 7268 1 16 . 1 1 23 23 GLU N N 23 123.785 123.785 123.119 0.666 25675 7269 1 16 . 1 1 23 23 GLU HA H 23 3.938 3.938 3.931 0.007 25675 7270 1 16 . 1 1 23 23 GLU C C 23 176.062 176.062 176.219 -0.157 25675 7271 1 16 . 1 1 23 23 GLU CA C 23 59.442 59.442 59.123 0.319 25675 7272 1 16 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.025 0.411 25675 7273 1 16 . 1 1 23 23 GLU H H 23 9.232 9.232 8.817 0.415 25675 7274 1 16 . 1 1 24 24 ASN N N 24 115.807 115.807 116.958 -1.151 25675 7275 1 16 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.530 0.158 25675 7276 1 16 . 1 1 24 24 ASN C C 24 174.636 174.636 175.384 -0.748 25675 7277 1 16 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.057 -0.159 25675 7278 1 16 . 1 1 24 24 ASN CB C 24 38.903 38.903 37.995 0.908 25675 7279 1 16 . 1 1 24 24 ASN H H 24 8.694 8.694 8.123 0.571 25675 7280 1 16 . 1 1 25 25 ASP N N 25 119.629 119.629 121.530 -1.901 25675 7281 1 16 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.735 0.220 25675 7282 1 16 . 1 1 25 25 ASP C C 25 175.269 175.269 175.069 0.200 25675 7283 1 16 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.474 -1.284 25675 7284 1 16 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.995 -2.203 25675 7285 1 16 . 1 1 25 25 ASP H H 25 7.987 7.987 7.670 0.317 25675 7286 1 16 . 1 1 26 26 GLU N N 26 123.692 123.692 119.230 4.462 25675 7287 1 16 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.471 0.051 25675 7288 1 16 . 1 1 26 26 GLU CA C 26 54.120 54.120 54.191 -0.070 25675 7289 1 16 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.693 -0.794 25675 7290 1 16 . 1 1 26 26 GLU H H 26 8.718 8.718 8.350 0.368 25675 7291 1 16 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.561 0.168 25675 7292 1 16 . 1 1 27 27 PRO C C 27 176.126 176.126 175.633 0.493 25675 7293 1 16 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.716 -0.365 25675 7294 1 16 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.738 1.781 25675 7295 1 16 . 1 1 28 28 ILE N N 28 118.646 118.646 125.237 -6.591 25675 7296 1 16 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.220 0.254 25675 7297 1 16 . 1 1 28 28 ILE C C 28 175.181 175.181 173.985 1.196 25675 7298 1 16 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.898 -0.450 25675 7299 1 16 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.160 0.466 25675 7300 1 16 . 1 1 28 28 ILE H H 28 9.244 9.244 7.896 1.348 25675 7301 1 16 . 1 1 29 29 GLU N N 29 120.763 120.763 127.923 -7.160 25675 7302 1 16 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.148 -0.243 25675 7303 1 16 . 1 1 29 29 GLU C C 29 175.739 175.739 175.662 0.077 25675 7304 1 16 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.825 0.463 25675 7305 1 16 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.091 -1.051 25675 7306 1 16 . 1 1 29 29 GLU H H 29 8.220 8.220 8.338 -0.118 25675 7307 1 16 . 1 1 30 30 ILE N N 30 124.950 124.950 119.018 5.932 25675 7308 1 16 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.766 -0.020 25675 7309 1 16 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.493 -1.779 25675 7310 1 16 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.828 -0.975 25675 7311 1 16 . 1 1 30 30 ILE H H 30 9.307 9.307 8.495 0.812 25675 7312 1 16 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.659 -0.276 25675 7313 1 16 . 1 1 31 31 PRO C C 31 175.768 175.768 176.304 -0.536 25675 7314 1 16 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.860 -0.078 25675 7315 1 16 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.278 0.089 25675 7316 1 16 . 1 1 32 32 SER N N 32 114.522 114.522 116.570 -2.048 25675 7317 1 16 . 1 1 32 32 SER HA H 32 4.567 4.567 4.630 -0.063 25675 7318 1 16 . 1 1 32 32 SER C C 32 175.170 175.170 173.935 1.235 25675 7319 1 16 . 1 1 32 32 SER CA C 32 56.211 56.211 56.504 -0.293 25675 7320 1 16 . 1 1 32 32 SER CB C 32 65.701 65.701 65.715 -0.014 25675 7321 1 16 . 1 1 32 32 SER H H 32 7.835 7.835 8.290 -0.455 25675 7322 1 16 . 1 1 33 33 GLU N N 33 118.001 118.001 119.712 -1.711 25675 7323 1 16 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.419 -0.126 25675 7324 1 16 . 1 1 33 33 GLU C C 33 178.843 178.843 177.114 1.729 25675 7325 1 16 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.404 -0.811 25675 7326 1 16 . 1 1 33 33 GLU H H 33 9.229 9.229 8.743 0.486 25675 7327 1 16 . 1 1 34 34 ASP N N 34 122.097 122.097 117.812 4.285 25675 7328 1 16 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.513 -0.241 25675 7329 1 16 . 1 1 34 34 ASP C C 34 175.680 175.680 177.374 -1.694 25675 7330 1 16 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.555 0.407 25675 7331 1 16 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.654 -0.568 25675 7332 1 16 . 1 1 34 34 ASP H H 34 9.067 9.067 8.719 0.348 25675 7333 1 16 . 1 1 35 35 ASP N N 35 115.678 115.678 119.417 -3.739 25675 7334 1 16 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.492 0.003 25675 7335 1 16 . 1 1 35 35 ASP C C 35 177.470 177.470 177.100 0.370 25675 7336 1 16 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.751 -2.835 25675 7337 1 16 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.697 -0.883 25675 7338 1 16 . 1 1 35 35 ASP H H 35 7.701 7.701 8.422 -0.721 25675 7339 1 16 . 1 1 36 36 GLY N N 36 107.781 107.781 106.733 1.048 25675 7340 1 16 . 1 1 36 36 GLY C C 36 175.387 175.387 174.302 1.085 25675 7341 1 16 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.133 0.393 25675 7342 1 16 . 1 1 36 36 GLY H H 36 8.211 8.211 7.598 0.613 25675 7343 1 16 . 1 1 37 37 THR N N 37 113.224 113.224 113.511 -0.287 25675 7344 1 16 . 1 1 37 37 THR HA H 37 4.787 4.787 4.992 -0.205 25675 7345 1 16 . 1 1 37 37 THR C C 37 175.874 175.874 173.746 2.128 25675 7346 1 16 . 1 1 37 37 THR CA C 37 61.569 61.569 61.851 -0.282 25675 7347 1 16 . 1 1 37 37 THR CB C 37 71.292 71.292 70.685 0.607 25675 7348 1 16 . 1 1 37 37 THR H H 37 7.890 7.890 7.730 0.160 25675 7349 1 16 . 1 1 38 38 VAL N N 38 117.698 117.698 120.462 -2.764 25675 7350 1 16 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.419 -0.072 25675 7351 1 16 . 1 1 38 38 VAL C C 38 175.187 175.187 174.356 0.831 25675 7352 1 16 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.049 -0.012 25675 7353 1 16 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.120 0.354 25675 7354 1 16 . 1 1 38 38 VAL H H 38 8.382 8.382 8.384 -0.002 25675 7355 1 16 . 1 1 39 39 LEU N N 39 126.182 126.182 126.751 -0.569 25675 7356 1 16 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.263 0.236 25675 7357 1 16 . 1 1 39 39 LEU C C 39 178.655 178.655 178.153 0.502 25675 7358 1 16 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.543 -0.549 25675 7359 1 16 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.606 -1.946 25675 7360 1 16 . 1 1 39 39 LEU H H 39 8.516 8.516 8.699 -0.183 25675 7361 1 16 . 1 1 40 40 LEU N N 40 125.652 125.652 124.988 0.664 25675 7362 1 16 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.108 -0.135 25675 7363 1 16 . 1 1 40 40 LEU C C 40 178.620 178.620 178.659 -0.039 25675 7364 1 16 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.370 0.886 25675 7365 1 16 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.510 -0.512 25675 7366 1 16 . 1 1 40 40 LEU H H 40 8.666 8.666 8.802 -0.136 25675 7367 1 16 . 1 1 41 41 SER N N 41 112.797 112.797 113.032 -0.235 25675 7368 1 16 . 1 1 41 41 SER HA H 41 4.359 4.359 4.241 0.118 25675 7369 1 16 . 1 1 41 41 SER C C 41 176.760 176.760 176.151 0.609 25675 7370 1 16 . 1 1 41 41 SER CA C 41 60.390 60.390 61.410 -1.020 25675 7371 1 16 . 1 1 41 41 SER CB C 41 62.032 62.032 62.684 -0.651 25675 7372 1 16 . 1 1 41 41 SER H H 41 8.758 8.758 8.327 0.431 25675 7373 1 16 . 1 1 42 42 THR N N 42 121.066 121.066 117.769 3.297 25675 7374 1 16 . 1 1 42 42 THR HA H 42 3.993 3.993 4.089 -0.096 25675 7375 1 16 . 1 1 42 42 THR C C 42 176.226 176.226 175.746 0.480 25675 7376 1 16 . 1 1 42 42 THR CA C 42 65.206 65.206 65.382 -0.175 25675 7377 1 16 . 1 1 42 42 THR CB C 42 67.912 67.912 68.906 -0.994 25675 7378 1 16 . 1 1 42 42 THR H H 42 7.461 7.461 7.468 -0.007 25675 7379 1 16 . 1 1 43 43 VAL N N 43 120.996 120.996 121.103 -0.107 25675 7380 1 16 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.680 -0.086 25675 7381 1 16 . 1 1 43 43 VAL C C 43 178.796 178.796 177.663 1.133 25675 7382 1 16 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.560 0.248 25675 7383 1 16 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.556 0.284 25675 7384 1 16 . 1 1 43 43 VAL H H 43 7.288 7.288 7.433 -0.145 25675 7385 1 16 . 1 1 44 44 THR N N 44 113.305 113.305 110.339 2.966 25675 7386 1 16 . 1 1 44 44 THR HA H 44 4.202 4.202 4.364 -0.162 25675 7387 1 16 . 1 1 44 44 THR C C 44 176.337 176.337 175.470 0.867 25675 7388 1 16 . 1 1 44 44 THR CA C 44 64.358 64.358 64.290 0.069 25675 7389 1 16 . 1 1 44 44 THR CB C 44 68.969 68.969 68.796 0.173 25675 7390 1 16 . 1 1 44 44 THR H H 44 9.189 9.189 7.715 1.474 25675 7391 1 16 . 1 1 45 45 ALA N N 45 121.618 121.618 123.863 -2.245 25675 7392 1 16 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.095 -0.046 25675 7393 1 16 . 1 1 45 45 ALA C C 45 178.685 178.685 178.792 -0.107 25675 7394 1 16 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.428 0.198 25675 7395 1 16 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.856 -0.579 25675 7396 1 16 . 1 1 45 45 ALA H H 45 7.274 7.274 7.262 0.012 25675 7397 1 16 . 1 1 46 46 GLN N N 46 112.595 112.595 113.282 -0.687 25675 7398 1 16 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.296 -0.166 25675 7399 1 16 . 1 1 46 46 GLN C C 46 174.823 174.823 175.898 -1.075 25675 7400 1 16 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.716 -0.466 25675 7401 1 16 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.989 -1.069 25675 7402 1 16 . 1 1 46 46 GLN H H 46 6.860 6.860 7.502 -0.642 25675 7403 1 16 . 1 1 47 47 PHE N N 47 118.197 118.197 119.040 -0.843 25675 7404 1 16 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.005 -0.040 25675 7405 1 16 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.580 1.161 25675 7406 1 16 . 1 1 47 47 PHE CB C 47 39.614 39.614 38.476 1.138 25675 7407 1 16 . 1 1 47 47 PHE H H 47 8.344 8.344 7.484 0.860 25675 7408 1 16 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.426 0.014 25675 7409 1 16 . 1 1 48 48 PRO C C 48 178.626 178.626 177.490 1.136 25675 7410 1 16 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.501 0.839 25675 7411 1 16 . 1 1 48 48 PRO CB C 48 31.446 31.446 32.256 -0.810 25675 7412 1 16 . 1 1 49 49 GLY N N 49 111.697 111.697 109.988 1.709 25675 7413 1 16 . 1 1 49 49 GLY C C 49 174.307 174.307 173.362 0.945 25675 7414 1 16 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.720 0.041 25675 7415 1 16 . 1 1 49 49 GLY H H 49 8.849 8.849 8.563 0.286 25675 7416 1 16 . 1 1 50 50 ALA N N 50 122.602 122.602 121.178 1.424 25675 7417 1 16 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.287 -0.459 25675 7418 1 16 . 1 1 50 50 ALA C C 50 177.534 177.534 176.198 1.336 25675 7419 1 16 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.017 1.389 25675 7420 1 16 . 1 1 50 50 ALA CB C 50 20.390 20.390 19.007 1.383 25675 7421 1 16 . 1 1 50 50 ALA H H 50 8.032 8.032 7.286 0.746 25675 7422 1 16 . 1 1 51 51 CYS N N 51 114.410 114.410 123.096 -8.686 25675 7423 1 16 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.562 -0.017 25675 7424 1 16 . 1 1 51 51 CYS C C 51 174.248 174.248 174.959 -0.711 25675 7425 1 16 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.787 -2.380 25675 7426 1 16 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.968 -0.155 25675 7427 1 16 . 1 1 51 51 CYS H H 51 9.094 9.094 8.383 0.711 25675 7428 1 16 . 1 1 52 52 GLY N N 52 106.620 106.620 108.028 -1.408 25675 7429 1 16 . 1 1 52 52 GLY C C 52 170.769 170.769 172.175 -1.406 25675 7430 1 16 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.643 0.318 25675 7431 1 16 . 1 1 52 52 GLY H H 52 7.467 7.467 8.199 -0.732 25675 7432 1 16 . 1 1 53 53 LEU N N 53 117.961 117.961 122.966 -5.005 25675 7433 1 16 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.367 -0.022 25675 7434 1 16 . 1 1 53 53 LEU C C 53 175.563 175.563 176.482 -0.919 25675 7435 1 16 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.488 1.164 25675 7436 1 16 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.858 4.728 25675 7437 1 16 . 1 1 53 53 LEU H H 53 8.900 8.900 8.335 0.565 25675 7438 1 16 . 1 1 54 54 ARG N N 54 119.739 119.739 121.029 -1.290 25675 7439 1 16 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.467 1.144 25675 7440 1 16 . 1 1 54 54 ARG C C 54 173.638 173.638 174.627 -0.989 25675 7441 1 16 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.747 -0.300 25675 7442 1 16 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.053 0.485 25675 7443 1 16 . 1 1 54 54 ARG H H 54 9.493 9.493 8.383 1.110 25675 7444 1 16 . 1 1 55 55 TYR N N 55 115.879 115.879 118.341 -2.462 25675 7445 1 16 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.722 0.066 25675 7446 1 16 . 1 1 55 55 TYR C C 55 172.417 172.417 174.477 -2.060 25675 7447 1 16 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.879 -1.886 25675 7448 1 16 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.455 0.645 25675 7449 1 16 . 1 1 55 55 TYR H H 55 8.972 8.972 8.365 0.607 25675 7450 1 16 . 1 1 56 56 ARG N N 56 121.380 121.380 124.388 -3.008 25675 7451 1 16 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.754 -0.471 25675 7452 1 16 . 1 1 56 56 ARG C C 56 175.598 175.598 174.104 1.494 25675 7453 1 16 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.510 0.658 25675 7454 1 16 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.123 -1.370 25675 7455 1 16 . 1 1 56 56 ARG H H 56 8.883 8.883 8.307 0.576 25675 7456 1 16 . 1 1 57 57 ASN N N 57 127.980 127.980 124.318 3.662 25675 7457 1 16 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.166 -0.358 25675 7458 1 16 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.188 1.067 25675 7459 1 16 . 1 1 57 57 ASN CB C 57 39.741 39.741 42.012 -2.271 25675 7460 1 16 . 1 1 57 57 ASN H H 57 8.428 8.428 8.733 -0.305 25675 7461 1 16 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.457 -0.164 25675 7462 1 16 . 1 1 58 58 PRO C C 58 177.241 177.241 177.848 -0.607 25675 7463 1 16 . 1 1 58 58 PRO CA C 58 64.592 64.592 65.195 -0.604 25675 7464 1 16 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.948 0.339 25675 7465 1 16 . 1 1 59 59 VAL N N 59 117.104 117.104 114.730 2.374 25675 7466 1 16 . 1 1 59 59 VAL HA H 59 3.909 3.909 3.932 -0.023 25675 7467 1 16 . 1 1 59 59 VAL C C 59 177.077 177.077 177.412 -0.335 25675 7468 1 16 . 1 1 59 59 VAL CA C 59 64.722 64.722 65.051 -0.329 25675 7469 1 16 . 1 1 59 59 VAL CB C 59 31.961 31.961 30.909 1.052 25675 7470 1 16 . 1 1 59 59 VAL H H 59 7.965 7.965 7.998 -0.033 25675 7471 1 16 . 1 1 60 60 SER N N 60 113.119 113.119 114.244 -1.125 25675 7472 1 16 . 1 1 60 60 SER HA H 60 4.427 4.427 4.255 0.172 25675 7473 1 16 . 1 1 60 60 SER C C 60 175.252 175.252 174.323 0.929 25675 7474 1 16 . 1 1 60 60 SER CA C 60 58.314 58.314 59.260 -0.946 25675 7475 1 16 . 1 1 60 60 SER CB C 60 65.134 65.134 63.325 1.809 25675 7476 1 16 . 1 1 60 60 SER H H 60 7.691 7.691 7.890 -0.199 25675 7477 1 16 . 1 1 61 61 GLN N N 61 115.138 115.138 115.692 -0.554 25675 7478 1 16 . 1 1 61 61 GLN HA H 61 3.860 3.860 4.072 -0.212 25675 7479 1 16 . 1 1 61 61 GLN C C 61 174.882 174.882 175.323 -0.441 25675 7480 1 16 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.121 0.215 25675 7481 1 16 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.140 -0.140 25675 7482 1 16 . 1 1 61 61 GLN H H 61 8.309 8.309 7.757 0.552 25675 7483 1 16 . 1 1 62 62 CYS N N 62 116.568 116.568 116.596 -0.028 25675 7484 1 16 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.703 -0.171 25675 7485 1 16 . 1 1 62 62 CYS C C 62 174.242 174.242 173.974 0.268 25675 7486 1 16 . 1 1 62 62 CYS CA C 62 58.084 58.084 56.745 1.339 25675 7487 1 16 . 1 1 62 62 CYS CB C 62 29.256 29.256 30.794 -1.538 25675 7488 1 16 . 1 1 62 62 CYS H H 62 7.664 7.664 7.440 0.224 25675 7489 1 16 . 1 1 63 63 MET N N 63 122.627 122.627 118.205 4.422 25675 7490 1 16 . 1 1 63 63 MET HA H 63 4.095 4.095 4.876 -0.781 25675 7491 1 16 . 1 1 63 63 MET C C 63 176.437 176.437 174.862 1.575 25675 7492 1 16 . 1 1 63 63 MET CA C 63 54.992 54.992 54.621 0.371 25675 7493 1 16 . 1 1 63 63 MET CB C 63 32.828 32.828 31.634 1.194 25675 7494 1 16 . 1 1 63 63 MET H H 63 8.733 8.733 8.166 0.567 25675 7495 1 16 . 1 1 64 64 ARG N N 64 124.300 124.300 120.680 3.620 25675 7496 1 16 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.607 -0.140 25675 7497 1 16 . 1 1 64 64 ARG C C 64 174.618 174.618 175.586 -0.968 25675 7498 1 16 . 1 1 64 64 ARG CA C 64 53.788 53.788 55.813 -2.025 25675 7499 1 16 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.173 2.362 25675 7500 1 16 . 1 1 64 64 ARG H H 64 8.995 8.995 7.920 1.075 25675 7501 1 16 . 1 1 65 65 GLY N N 65 122.716 122.716 105.777 16.939 25675 7502 1 16 . 1 1 65 65 GLY C C 65 174.589 174.589 173.504 1.085 25675 7503 1 16 . 1 1 65 65 GLY H H 65 8.474 8.474 8.200 0.274 25675 7504 1 16 . 1 1 66 66 VAL N N 66 124.050 124.050 120.439 3.611 25675 7505 1 16 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.782 0.413 25675 7506 1 16 . 1 1 66 66 VAL C C 66 176.220 176.220 175.332 0.888 25675 7507 1 16 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.171 -0.694 25675 7508 1 16 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.493 0.184 25675 7509 1 16 . 1 1 66 66 VAL H H 66 8.313 8.313 7.871 0.442 25675 7510 1 16 . 1 1 67 67 ARG N N 67 131.490 131.490 127.937 3.553 25675 7511 1 16 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.578 -0.530 25675 7512 1 16 . 1 1 67 67 ARG C C 67 173.497 173.497 174.178 -0.681 25675 7513 1 16 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.923 3.453 25675 7514 1 16 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.899 -0.967 25675 7515 1 16 . 1 1 67 67 ARG H H 67 9.314 9.314 7.925 1.389 25675 7516 1 16 . 1 1 68 68 LEU N N 68 130.230 130.230 126.725 3.505 25675 7517 1 16 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.696 0.508 25675 7518 1 16 . 1 1 68 68 LEU C C 68 175.950 175.950 174.980 0.970 25675 7519 1 16 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.925 -0.111 25675 7520 1 16 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.836 0.257 25675 7521 1 16 . 1 1 68 68 LEU H H 68 8.299 8.299 8.609 -0.310 25675 7522 1 16 . 1 1 69 69 VAL N N 69 127.090 127.090 126.620 0.470 25675 7523 1 16 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.421 -0.094 25675 7524 1 16 . 1 1 69 69 VAL C C 69 176.155 176.155 175.289 0.866 25675 7525 1 16 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.607 -0.253 25675 7526 1 16 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.002 1.103 25675 7527 1 16 . 1 1 69 69 VAL H H 69 9.044 9.044 8.585 0.459 25675 7528 1 16 . 1 1 70 70 GLU N N 70 128.672 128.672 125.412 3.260 25675 7529 1 16 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.978 -0.062 25675 7530 1 16 . 1 1 70 70 GLU C C 70 175.891 175.891 176.160 -0.269 25675 7531 1 16 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.376 -0.545 25675 7532 1 16 . 1 1 70 70 GLU CB C 70 27.190 27.190 28.349 -1.159 25675 7533 1 16 . 1 1 70 70 GLU H H 70 9.646 9.646 9.285 0.361 25675 7534 1 16 . 1 1 71 71 GLY N N 71 117.967 117.967 102.305 15.662 25675 7535 1 16 . 1 1 71 71 GLY C C 71 173.327 173.327 173.841 -0.514 25675 7536 1 16 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.411 0.637 25675 7537 1 16 . 1 1 71 71 GLY H H 71 8.417 8.417 8.175 0.242 25675 7538 1 16 . 1 1 72 72 ILE N N 72 123.402 123.402 123.491 -0.089 25675 7539 1 16 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.316 -0.079 25675 7540 1 16 . 1 1 72 72 ILE C C 72 174.882 174.882 175.967 -1.085 25675 7541 1 16 . 1 1 72 72 ILE CA C 72 61.428 61.428 62.013 -0.585 25675 7542 1 16 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.884 0.967 25675 7543 1 16 . 1 1 72 72 ILE H H 72 8.124 8.124 7.696 0.428 25675 7544 1 16 . 1 1 73 73 LEU N N 73 129.380 129.380 130.105 -0.725 25675 7545 1 16 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.943 0.256 25675 7546 1 16 . 1 1 73 73 LEU C C 73 175.932 175.932 176.901 -0.969 25675 7547 1 16 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.806 0.439 25675 7548 1 16 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.166 1.716 25675 7549 1 16 . 1 1 73 73 LEU H H 73 9.353 9.353 8.608 0.745 25675 7550 1 16 . 1 1 74 74 HIS N N 74 120.040 120.040 126.895 -6.855 25675 7551 1 16 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.695 -0.084 25675 7552 1 16 . 1 1 74 74 HIS C C 74 172.371 172.371 173.148 -0.777 25675 7553 1 16 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.779 -0.954 25675 7554 1 16 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.176 -1.325 25675 7555 1 16 . 1 1 74 74 HIS H H 74 8.541 8.541 8.866 -0.325 25675 7556 1 16 . 1 1 75 75 ALA N N 75 125.980 125.980 129.261 -3.281 25675 7557 1 16 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.883 -2.134 25675 7558 1 16 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.722 1.215 25675 7559 1 16 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.862 -1.914 25675 7560 1 16 . 1 1 75 75 ALA H H 75 8.413 8.413 8.231 0.182 25675 7561 1 16 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.189 0.093 25675 7562 1 16 . 1 1 76 76 PRO C C 76 176.185 176.185 176.186 -0.001 25675 7563 1 16 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.819 0.462 25675 7564 1 16 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.295 -0.023 25675 7565 1 16 . 1 1 77 77 ASP N N 77 122.297 122.297 116.986 5.311 25675 7566 1 16 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.412 -0.322 25675 7567 1 16 . 1 1 77 77 ASP C C 77 176.977 176.977 176.555 0.422 25675 7568 1 16 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.635 1.869 25675 7569 1 16 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.463 -0.553 25675 7570 1 16 . 1 1 77 77 ASP H H 77 8.454 8.454 8.343 0.111 25675 7571 1 16 . 1 1 78 78 ALA N N 78 118.586 118.586 121.557 -2.971 25675 7572 1 16 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.308 -0.059 25675 7573 1 16 . 1 1 78 78 ALA C C 78 177.458 177.458 177.533 -0.075 25675 7574 1 16 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.483 0.241 25675 7575 1 16 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.122 -1.377 25675 7576 1 16 . 1 1 78 78 ALA H H 78 8.032 8.032 7.572 0.460 25675 7577 1 16 . 1 1 79 79 GLY N N 79 107.830 107.830 105.364 2.466 25675 7578 1 16 . 1 1 79 79 GLY C C 79 172.928 172.928 174.619 -1.691 25675 7579 1 16 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.237 -0.896 25675 7580 1 16 . 1 1 79 79 GLY H H 79 7.902 7.902 7.259 0.643 25675 7581 1 16 . 1 1 80 80 TRP N N 80 119.474 119.474 123.509 -4.035 25675 7582 1 16 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.876 -0.341 25675 7583 1 16 . 1 1 80 80 TRP C C 80 180.190 180.190 177.582 2.608 25675 7584 1 16 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.346 0.324 25675 7585 1 16 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.271 0.815 25675 7586 1 16 . 1 1 80 80 TRP H H 80 8.389 8.389 8.552 -0.163 25675 7587 1 16 . 1 1 81 81 GLY N N 81 103.130 103.130 104.889 -1.759 25675 7588 1 16 . 1 1 81 81 GLY C C 81 174.110 174.110 172.475 1.635 25675 7589 1 16 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.973 0.906 25675 7590 1 16 . 1 1 81 81 GLY H H 81 8.519 8.519 8.597 -0.078 25675 7591 1 16 . 1 1 82 82 ASN N N 82 120.652 120.652 119.339 1.313 25675 7592 1 16 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.415 -0.339 25675 7593 1 16 . 1 1 82 82 ASN C C 82 175.211 175.211 174.973 0.238 25675 7594 1 16 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.356 -0.371 25675 7595 1 16 . 1 1 82 82 ASN CB C 82 38.657 38.657 39.213 -0.556 25675 7596 1 16 . 1 1 82 82 ASN H H 82 8.800 8.800 8.444 0.356 25675 7597 1 16 . 1 1 83 83 LEU N N 83 118.129 118.129 116.453 1.676 25675 7598 1 16 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.974 -0.845 25675 7599 1 16 . 1 1 83 83 LEU C C 83 174.442 174.442 175.471 -1.029 25675 7600 1 16 . 1 1 83 83 LEU CA C 83 54.799 54.799 52.989 1.810 25675 7601 1 16 . 1 1 83 83 LEU CB C 83 41.857 41.857 43.017 -1.160 25675 7602 1 16 . 1 1 83 83 LEU H H 83 6.883 6.883 7.700 -0.817 25675 7603 1 16 . 1 1 84 84 VAL N N 84 118.316 118.316 118.379 -0.063 25675 7604 1 16 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.428 -0.373 25675 7605 1 16 . 1 1 84 84 VAL C C 84 174.630 174.630 174.191 0.439 25675 7606 1 16 . 1 1 84 84 VAL CA C 84 62.443 62.443 60.953 1.490 25675 7607 1 16 . 1 1 84 84 VAL CB C 84 31.958 31.958 34.021 -2.063 25675 7608 1 16 . 1 1 84 84 VAL H H 84 7.835 7.835 7.727 0.108 25675 7609 1 16 . 1 1 85 85 TYR N N 85 128.110 128.110 127.212 0.898 25675 7610 1 16 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.360 -0.663 25675 7611 1 16 . 1 1 85 85 TYR C C 85 174.313 174.313 173.935 0.378 25675 7612 1 16 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.489 3.632 25675 7613 1 16 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.589 -0.049 25675 7614 1 16 . 1 1 85 85 TYR H H 85 8.886 8.886 8.726 0.160 25675 7615 1 16 . 1 1 86 86 VAL N N 86 122.593 122.593 124.100 -1.507 25675 7616 1 16 . 1 1 86 86 VAL HA H 86 4.755 4.755 4.036 0.719 25675 7617 1 16 . 1 1 86 86 VAL C C 86 176.531 176.531 176.077 0.454 25675 7618 1 16 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.605 -0.606 25675 7619 1 16 . 1 1 86 86 VAL CB C 86 33.419 33.419 33.239 0.180 25675 7620 1 16 . 1 1 86 86 VAL H H 86 9.473 9.473 7.951 1.522 25675 7621 1 16 . 1 1 87 87 VAL N N 87 124.298 124.298 124.680 -0.382 25675 7622 1 16 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.178 -0.391 25675 7623 1 16 . 1 1 87 87 VAL C C 87 174.735 174.735 175.207 -0.472 25675 7624 1 16 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.413 1.313 25675 7625 1 16 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.110 0.613 25675 7626 1 16 . 1 1 87 87 VAL H H 87 7.864 7.864 8.292 -0.428 25675 7627 1 16 . 1 1 88 88 ASN N N 88 123.146 123.146 126.165 -3.019 25675 7628 1 16 . 1 1 88 88 ASN HA H 88 4.774 4.774 5.068 -0.294 25675 7629 1 16 . 1 1 88 88 ASN C C 88 172.900 172.900 173.204 -0.304 25675 7630 1 16 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.897 -1.565 25675 7631 1 16 . 1 1 88 88 ASN CB C 88 40.773 40.773 40.418 0.355 25675 7632 1 16 . 1 1 88 88 ASN H H 88 7.786 7.786 8.427 -0.641 25675 7633 1 17 . 1 1 3 3 GLY C C 3 173.761 173.761 174.542 -0.781 25675 7634 1 17 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.794 0.336 25675 7635 1 17 . 1 1 4 4 SER N N 4 115.011 115.011 117.439 -2.428 25675 7636 1 17 . 1 1 4 4 SER HA H 4 4.304 4.304 4.249 0.055 25675 7637 1 17 . 1 1 4 4 SER C C 4 174.600 174.600 173.736 0.864 25675 7638 1 17 . 1 1 4 4 SER CA C 4 57.900 57.900 58.344 -0.444 25675 7639 1 17 . 1 1 4 4 SER CB C 4 63.800 63.800 63.505 0.295 25675 7640 1 17 . 1 1 4 4 SER H H 4 8.185 8.185 8.075 0.110 25675 7641 1 17 . 1 1 5 5 HIS N N 5 120.326 120.326 122.881 -2.555 25675 7642 1 17 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.599 0.003 25675 7643 1 17 . 1 1 5 5 HIS C C 5 174.200 174.200 174.173 0.027 25675 7644 1 17 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.252 0.016 25675 7645 1 17 . 1 1 5 5 HIS CB C 5 29.000 29.000 31.400 -2.400 25675 7646 1 17 . 1 1 5 5 HIS H H 5 8.641 8.641 8.409 0.232 25675 7647 1 17 . 1 1 6 6 HIS N N 6 119.478 119.478 122.483 -3.005 25675 7648 1 17 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.478 0.149 25675 7649 1 17 . 1 1 6 6 HIS C C 6 174.100 174.100 175.084 -0.984 25675 7650 1 17 . 1 1 6 6 HIS CA C 6 55.268 55.268 56.823 -1.555 25675 7651 1 17 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.158 -0.858 25675 7652 1 17 . 1 1 6 6 HIS H H 6 8.555 8.555 8.457 0.098 25675 7653 1 17 . 1 1 7 7 HIS N N 7 120.507 120.507 123.674 -3.167 25675 7654 1 17 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.680 -0.099 25675 7655 1 17 . 1 1 7 7 HIS C C 7 174.100 174.100 175.393 -1.293 25675 7656 1 17 . 1 1 7 7 HIS CA C 7 55.268 55.268 55.127 0.141 25675 7657 1 17 . 1 1 7 7 HIS CB C 7 29.300 29.300 32.331 -3.031 25675 7658 1 17 . 1 1 7 7 HIS H H 7 8.777 8.777 8.623 0.154 25675 7659 1 17 . 1 1 8 8 HIS N N 8 120.616 120.616 122.108 -1.492 25675 7660 1 17 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.352 0.248 25675 7661 1 17 . 1 1 8 8 HIS C C 8 174.200 174.200 176.562 -2.362 25675 7662 1 17 . 1 1 8 8 HIS CA C 8 55.268 55.268 58.465 -3.197 25675 7663 1 17 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.123 -0.823 25675 7664 1 17 . 1 1 8 8 HIS H H 8 8.777 8.777 8.391 0.386 25675 7665 1 17 . 1 1 9 9 HIS N N 9 121.131 121.131 118.035 3.096 25675 7666 1 17 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.100 0.480 25675 7667 1 17 . 1 1 9 9 HIS C C 9 173.990 173.990 176.667 -2.677 25675 7668 1 17 . 1 1 9 9 HIS CA C 9 55.000 55.000 58.222 -3.222 25675 7669 1 17 . 1 1 9 9 HIS CB C 9 29.400 29.400 29.731 -0.331 25675 7670 1 17 . 1 1 9 9 HIS H H 9 8.785 8.785 8.124 0.661 25675 7671 1 17 . 1 1 10 10 HIS N N 10 121.437 121.437 118.163 3.274 25675 7672 1 17 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.280 0.314 25675 7673 1 17 . 1 1 10 10 HIS C C 10 174.577 174.577 176.298 -1.721 25675 7674 1 17 . 1 1 10 10 HIS CA C 10 55.268 55.268 57.731 -2.463 25675 7675 1 17 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.080 -1.180 25675 7676 1 17 . 1 1 10 10 HIS H H 10 8.769 8.769 7.586 1.183 25675 7677 1 17 . 1 1 11 11 GLY N N 11 111.579 111.579 107.069 4.510 25675 7678 1 17 . 1 1 11 11 GLY C C 11 174.184 174.184 172.645 1.539 25675 7679 1 17 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.629 0.711 25675 7680 1 17 . 1 1 11 11 GLY H H 11 8.559 8.559 7.760 0.799 25675 7681 1 17 . 1 1 12 12 SER N N 12 115.987 115.987 116.416 -0.429 25675 7682 1 17 . 1 1 12 12 SER HA H 12 4.407 4.407 4.703 -0.296 25675 7683 1 17 . 1 1 12 12 SER C C 12 174.817 174.817 173.938 0.879 25675 7684 1 17 . 1 1 12 12 SER CA C 12 58.529 58.529 57.049 1.480 25675 7685 1 17 . 1 1 12 12 SER CB C 12 63.780 63.780 65.140 -1.360 25675 7686 1 17 . 1 1 12 12 SER H H 12 8.353 8.353 7.993 0.360 25675 7687 1 17 . 1 1 13 13 MET N N 13 121.805 121.805 120.828 0.977 25675 7688 1 17 . 1 1 13 13 MET HA H 13 4.521 4.521 4.573 -0.052 25675 7689 1 17 . 1 1 13 13 MET C C 13 176.003 176.003 175.024 0.979 25675 7690 1 17 . 1 1 13 13 MET CA C 13 55.503 55.503 55.869 -0.366 25675 7691 1 17 . 1 1 13 13 MET CB C 13 32.843 32.843 33.229 -0.386 25675 7692 1 17 . 1 1 13 13 MET H H 13 8.432 8.432 8.361 0.071 25675 7693 1 17 . 1 1 14 14 SER N N 14 116.515 116.515 117.217 -0.702 25675 7694 1 17 . 1 1 14 14 SER HA H 14 4.265 4.265 4.447 -0.182 25675 7695 1 17 . 1 1 14 14 SER C C 14 174.055 174.055 174.366 -0.311 25675 7696 1 17 . 1 1 14 14 SER H H 14 8.205 8.205 8.318 -0.113 25675 7697 1 17 . 1 1 15 15 GLU N N 15 122.455 122.455 125.020 -2.565 25675 7698 1 17 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.658 -0.423 25675 7699 1 17 . 1 1 15 15 GLU C C 15 174.900 174.900 175.853 -0.953 25675 7700 1 17 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.633 -0.005 25675 7701 1 17 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.342 -1.117 25675 7702 1 17 . 1 1 15 15 GLU H H 15 8.292 8.292 8.809 -0.517 25675 7703 1 17 . 1 1 16 16 TYR N N 16 118.896 118.896 116.078 2.818 25675 7704 1 17 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.867 0.194 25675 7705 1 17 . 1 1 16 16 TYR C C 16 174.935 174.935 174.139 0.796 25675 7706 1 17 . 1 1 16 16 TYR CA C 16 56.712 56.712 56.164 0.548 25675 7707 1 17 . 1 1 16 16 TYR CB C 16 41.507 41.507 40.534 0.973 25675 7708 1 17 . 1 1 16 16 TYR H H 16 7.955 7.955 8.025 -0.070 25675 7709 1 17 . 1 1 17 17 ILE N N 17 115.711 115.711 121.392 -5.681 25675 7710 1 17 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.302 0.247 25675 7711 1 17 . 1 1 17 17 ILE C C 17 174.747 174.747 173.817 0.930 25675 7712 1 17 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.810 -0.368 25675 7713 1 17 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.019 0.840 25675 7714 1 17 . 1 1 17 17 ILE H H 17 8.890 8.890 8.006 0.884 25675 7715 1 17 . 1 1 18 18 ARG N N 18 123.175 123.175 129.201 -6.026 25675 7716 1 17 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.327 -0.447 25675 7717 1 17 . 1 1 18 18 ARG C C 18 174.988 174.988 175.152 -0.164 25675 7718 1 17 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.736 1.109 25675 7719 1 17 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.355 0.375 25675 7720 1 17 . 1 1 18 18 ARG H H 18 8.636 8.636 8.330 0.306 25675 7721 1 17 . 1 1 19 19 VAL N N 19 122.554 122.554 120.013 2.541 25675 7722 1 17 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.667 -0.203 25675 7723 1 17 . 1 1 19 19 VAL C C 19 173.984 173.984 174.445 -0.461 25675 7724 1 17 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.295 0.599 25675 7725 1 17 . 1 1 19 19 VAL CB C 19 35.709 35.709 36.049 -0.340 25675 7726 1 17 . 1 1 19 19 VAL H H 19 8.916 8.916 8.225 0.691 25675 7727 1 17 . 1 1 20 20 THR N N 20 118.638 118.638 114.527 4.111 25675 7728 1 17 . 1 1 20 20 THR HA H 20 5.081 5.081 4.885 0.196 25675 7729 1 17 . 1 1 20 20 THR C C 20 172.312 172.312 174.418 -2.106 25675 7730 1 17 . 1 1 20 20 THR CA C 20 57.731 57.731 59.533 -1.802 25675 7731 1 17 . 1 1 20 20 THR CB C 20 71.835 71.835 71.820 0.015 25675 7732 1 17 . 1 1 20 20 THR H H 20 8.794 8.794 8.157 0.637 25675 7733 1 17 . 1 1 21 21 GLU N N 21 124.307 124.307 123.735 0.572 25675 7734 1 17 . 1 1 21 21 GLU HA H 21 4.174 4.174 2.933 1.241 25675 7735 1 17 . 1 1 21 21 GLU C C 21 175.258 175.258 175.712 -0.454 25675 7736 1 17 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.931 -2.031 25675 7737 1 17 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.100 -1.148 25675 7738 1 17 . 1 1 21 21 GLU H H 21 8.792 8.792 8.719 0.073 25675 7739 1 17 . 1 1 22 22 ASP N N 22 117.282 117.282 115.876 1.406 25675 7740 1 17 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.793 -0.189 25675 7741 1 17 . 1 1 22 22 ASP C C 22 175.387 175.387 177.156 -1.769 25675 7742 1 17 . 1 1 22 22 ASP CA C 22 53.465 53.465 52.733 0.732 25675 7743 1 17 . 1 1 22 22 ASP CB C 22 42.875 42.875 44.127 -1.252 25675 7744 1 17 . 1 1 22 22 ASP H H 22 7.932 7.932 7.411 0.521 25675 7745 1 17 . 1 1 23 23 GLU N N 23 123.785 123.785 120.296 3.489 25675 7746 1 17 . 1 1 23 23 GLU HA H 23 3.938 3.938 3.958 -0.020 25675 7747 1 17 . 1 1 23 23 GLU C C 23 176.062 176.062 176.897 -0.835 25675 7748 1 17 . 1 1 23 23 GLU CA C 23 59.442 59.442 59.148 0.294 25675 7749 1 17 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.476 -0.040 25675 7750 1 17 . 1 1 23 23 GLU H H 23 9.232 9.232 8.765 0.467 25675 7751 1 17 . 1 1 24 24 ASN N N 24 115.807 115.807 117.106 -1.299 25675 7752 1 17 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.590 0.098 25675 7753 1 17 . 1 1 24 24 ASN C C 24 174.636 174.636 175.118 -0.482 25675 7754 1 17 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.182 -0.284 25675 7755 1 17 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.514 0.389 25675 7756 1 17 . 1 1 24 24 ASN H H 24 8.694 8.694 8.169 0.525 25675 7757 1 17 . 1 1 25 25 ASP N N 25 119.629 119.629 119.077 0.552 25675 7758 1 17 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.743 0.212 25675 7759 1 17 . 1 1 25 25 ASP C C 25 175.269 175.269 175.254 0.015 25675 7760 1 17 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.324 -1.134 25675 7761 1 17 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.670 -1.878 25675 7762 1 17 . 1 1 25 25 ASP H H 25 7.987 7.987 7.590 0.397 25675 7763 1 17 . 1 1 26 26 GLU N N 26 123.692 123.692 122.196 1.496 25675 7764 1 17 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.376 0.146 25675 7765 1 17 . 1 1 26 26 GLU CA C 26 54.120 54.120 55.272 -1.152 25675 7766 1 17 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.687 -0.788 25675 7767 1 17 . 1 1 26 26 GLU H H 26 8.718 8.718 8.495 0.223 25675 7768 1 17 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.454 0.275 25675 7769 1 17 . 1 1 27 27 PRO C C 27 176.126 176.126 175.706 0.420 25675 7770 1 17 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.880 -0.529 25675 7771 1 17 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.743 1.776 25675 7772 1 17 . 1 1 28 28 ILE N N 28 118.646 118.646 125.199 -6.553 25675 7773 1 17 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.265 0.209 25675 7774 1 17 . 1 1 28 28 ILE C C 28 175.181 175.181 174.543 0.638 25675 7775 1 17 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.542 -0.094 25675 7776 1 17 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.466 0.160 25675 7777 1 17 . 1 1 28 28 ILE H H 28 9.244 9.244 8.015 1.229 25675 7778 1 17 . 1 1 29 29 GLU N N 29 120.763 120.763 127.710 -6.947 25675 7779 1 17 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.201 -0.296 25675 7780 1 17 . 1 1 29 29 GLU C C 29 175.739 175.739 175.704 0.035 25675 7781 1 17 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.618 0.670 25675 7782 1 17 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.297 -1.256 25675 7783 1 17 . 1 1 29 29 GLU H H 29 8.220 8.220 8.394 -0.174 25675 7784 1 17 . 1 1 30 30 ILE N N 30 124.950 124.950 118.678 6.272 25675 7785 1 17 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.762 -0.016 25675 7786 1 17 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.513 -1.799 25675 7787 1 17 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.415 -0.562 25675 7788 1 17 . 1 1 30 30 ILE H H 30 9.307 9.307 8.465 0.842 25675 7789 1 17 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.609 -0.226 25675 7790 1 17 . 1 1 31 31 PRO C C 31 175.768 175.768 176.378 -0.610 25675 7791 1 17 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.818 -0.036 25675 7792 1 17 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.058 0.309 25675 7793 1 17 . 1 1 32 32 SER N N 32 114.522 114.522 116.223 -1.701 25675 7794 1 17 . 1 1 32 32 SER HA H 32 4.567 4.567 4.608 -0.041 25675 7795 1 17 . 1 1 32 32 SER C C 32 175.170 175.170 173.835 1.335 25675 7796 1 17 . 1 1 32 32 SER CA C 32 56.211 56.211 56.440 -0.229 25675 7797 1 17 . 1 1 32 32 SER CB C 32 65.701 65.701 65.935 -0.234 25675 7798 1 17 . 1 1 32 32 SER H H 32 7.835 7.835 8.286 -0.451 25675 7799 1 17 . 1 1 33 33 GLU N N 33 118.001 118.001 121.160 -3.159 25675 7800 1 17 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.261 0.032 25675 7801 1 17 . 1 1 33 33 GLU C C 33 178.843 178.843 177.725 1.118 25675 7802 1 17 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.236 -0.643 25675 7803 1 17 . 1 1 33 33 GLU H H 33 9.229 9.229 8.497 0.732 25675 7804 1 17 . 1 1 34 34 ASP N N 34 122.097 122.097 122.333 -0.236 25675 7805 1 17 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.492 -0.220 25675 7806 1 17 . 1 1 34 34 ASP C C 34 175.680 175.680 177.630 -1.950 25675 7807 1 17 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.957 0.005 25675 7808 1 17 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.908 -0.822 25675 7809 1 17 . 1 1 34 34 ASP H H 34 9.067 9.067 8.891 0.176 25675 7810 1 17 . 1 1 35 35 ASP N N 35 115.678 115.678 117.842 -2.164 25675 7811 1 17 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.544 -0.049 25675 7812 1 17 . 1 1 35 35 ASP C C 35 177.470 177.470 177.226 0.244 25675 7813 1 17 . 1 1 35 35 ASP CA C 35 52.916 52.916 56.232 -3.316 25675 7814 1 17 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.982 -1.169 25675 7815 1 17 . 1 1 35 35 ASP H H 35 7.701 7.701 8.648 -0.947 25675 7816 1 17 . 1 1 36 36 GLY N N 36 107.781 107.781 105.081 2.700 25675 7817 1 17 . 1 1 36 36 GLY C C 36 175.387 175.387 173.808 1.579 25675 7818 1 17 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.352 0.174 25675 7819 1 17 . 1 1 36 36 GLY H H 36 8.211 8.211 7.918 0.293 25675 7820 1 17 . 1 1 37 37 THR N N 37 113.224 113.224 111.930 1.294 25675 7821 1 17 . 1 1 37 37 THR HA H 37 4.787 4.787 4.978 -0.191 25675 7822 1 17 . 1 1 37 37 THR C C 37 175.874 175.874 173.575 2.299 25675 7823 1 17 . 1 1 37 37 THR CA C 37 61.569 61.569 61.243 0.326 25675 7824 1 17 . 1 1 37 37 THR CB C 37 71.292 71.292 71.538 -0.246 25675 7825 1 17 . 1 1 37 37 THR H H 37 7.890 7.890 7.725 0.165 25675 7826 1 17 . 1 1 38 38 VAL N N 38 117.698 117.698 121.003 -3.305 25675 7827 1 17 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.455 -0.108 25675 7828 1 17 . 1 1 38 38 VAL C C 38 175.187 175.187 174.515 0.672 25675 7829 1 17 . 1 1 38 38 VAL CA C 38 61.037 61.037 60.971 0.066 25675 7830 1 17 . 1 1 38 38 VAL CB C 38 35.474 35.474 34.806 0.668 25675 7831 1 17 . 1 1 38 38 VAL H H 38 8.382 8.382 8.346 0.036 25675 7832 1 17 . 1 1 39 39 LEU N N 39 126.182 126.182 127.450 -1.268 25675 7833 1 17 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.315 0.184 25675 7834 1 17 . 1 1 39 39 LEU C C 39 178.655 178.655 178.285 0.370 25675 7835 1 17 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.109 -0.116 25675 7836 1 17 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.474 -1.813 25675 7837 1 17 . 1 1 39 39 LEU H H 39 8.516 8.516 8.755 -0.239 25675 7838 1 17 . 1 1 40 40 LEU N N 40 125.652 125.652 124.154 1.498 25675 7839 1 17 . 1 1 40 40 LEU HA H 40 3.973 3.973 3.964 0.009 25675 7840 1 17 . 1 1 40 40 LEU C C 40 178.620 178.620 179.039 -0.419 25675 7841 1 17 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.667 0.589 25675 7842 1 17 . 1 1 40 40 LEU CB C 40 40.998 40.998 42.126 -1.127 25675 7843 1 17 . 1 1 40 40 LEU H H 40 8.666 8.666 8.883 -0.217 25675 7844 1 17 . 1 1 41 41 SER N N 41 112.797 112.797 113.637 -0.840 25675 7845 1 17 . 1 1 41 41 SER HA H 41 4.359 4.359 4.215 0.144 25675 7846 1 17 . 1 1 41 41 SER C C 41 176.760 176.760 176.070 0.690 25675 7847 1 17 . 1 1 41 41 SER CA C 41 60.390 60.390 61.140 -0.750 25675 7848 1 17 . 1 1 41 41 SER CB C 41 62.032 62.032 63.081 -1.049 25675 7849 1 17 . 1 1 41 41 SER H H 41 8.758 8.758 8.219 0.539 25675 7850 1 17 . 1 1 42 42 THR N N 42 121.066 121.066 117.769 3.297 25675 7851 1 17 . 1 1 42 42 THR HA H 42 3.993 3.993 4.138 -0.145 25675 7852 1 17 . 1 1 42 42 THR C C 42 176.226 176.226 175.947 0.279 25675 7853 1 17 . 1 1 42 42 THR CA C 42 65.206 65.206 64.859 0.347 25675 7854 1 17 . 1 1 42 42 THR CB C 42 67.912 67.912 68.608 -0.696 25675 7855 1 17 . 1 1 42 42 THR H H 42 7.461 7.461 7.520 -0.059 25675 7856 1 17 . 1 1 43 43 VAL N N 43 120.996 120.996 120.924 0.072 25675 7857 1 17 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.709 -0.115 25675 7858 1 17 . 1 1 43 43 VAL C C 43 178.796 178.796 177.780 1.016 25675 7859 1 17 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.598 0.210 25675 7860 1 17 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.412 0.428 25675 7861 1 17 . 1 1 43 43 VAL H H 43 7.288 7.288 7.506 -0.218 25675 7862 1 17 . 1 1 44 44 THR N N 44 113.305 113.305 111.799 1.506 25675 7863 1 17 . 1 1 44 44 THR HA H 44 4.202 4.202 4.377 -0.175 25675 7864 1 17 . 1 1 44 44 THR C C 44 176.337 176.337 175.466 0.871 25675 7865 1 17 . 1 1 44 44 THR CA C 44 64.358 64.358 64.042 0.316 25675 7866 1 17 . 1 1 44 44 THR CB C 44 68.969 68.969 68.317 0.653 25675 7867 1 17 . 1 1 44 44 THR H H 44 9.189 9.189 7.731 1.458 25675 7868 1 17 . 1 1 45 45 ALA N N 45 121.618 121.618 123.869 -2.251 25675 7869 1 17 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.116 -0.067 25675 7870 1 17 . 1 1 45 45 ALA C C 45 178.685 178.685 178.871 -0.186 25675 7871 1 17 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.515 0.111 25675 7872 1 17 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.997 -0.720 25675 7873 1 17 . 1 1 45 45 ALA H H 45 7.274 7.274 7.302 -0.028 25675 7874 1 17 . 1 1 46 46 GLN N N 46 112.595 112.595 114.132 -1.537 25675 7875 1 17 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.329 -0.199 25675 7876 1 17 . 1 1 46 46 GLN C C 46 174.823 174.823 175.793 -0.970 25675 7877 1 17 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.713 -0.463 25675 7878 1 17 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.452 -0.532 25675 7879 1 17 . 1 1 46 46 GLN H H 46 6.860 6.860 7.586 -0.726 25675 7880 1 17 . 1 1 47 47 PHE N N 47 118.197 118.197 119.015 -0.818 25675 7881 1 17 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.101 -0.136 25675 7882 1 17 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.758 0.983 25675 7883 1 17 . 1 1 47 47 PHE CB C 47 39.614 39.614 38.841 0.773 25675 7884 1 17 . 1 1 47 47 PHE H H 47 8.344 8.344 7.580 0.764 25675 7885 1 17 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.515 -0.075 25675 7886 1 17 . 1 1 48 48 PRO C C 48 178.626 178.626 177.719 0.907 25675 7887 1 17 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.538 0.801 25675 7888 1 17 . 1 1 48 48 PRO CB C 48 31.446 31.446 32.213 -0.767 25675 7889 1 17 . 1 1 49 49 GLY N N 49 111.697 111.697 110.874 0.823 25675 7890 1 17 . 1 1 49 49 GLY C C 49 174.307 174.307 173.898 0.409 25675 7891 1 17 . 1 1 49 49 GLY CA C 49 44.761 44.761 45.066 -0.305 25675 7892 1 17 . 1 1 49 49 GLY H H 49 8.849 8.849 8.732 0.117 25675 7893 1 17 . 1 1 50 50 ALA N N 50 122.602 122.602 121.892 0.710 25675 7894 1 17 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.562 -0.734 25675 7895 1 17 . 1 1 50 50 ALA C C 50 177.534 177.534 176.091 1.443 25675 7896 1 17 . 1 1 50 50 ALA CA C 50 53.406 53.406 51.972 1.434 25675 7897 1 17 . 1 1 50 50 ALA CB C 50 20.390 20.390 19.007 1.383 25675 7898 1 17 . 1 1 50 50 ALA H H 50 8.032 8.032 7.575 0.457 25675 7899 1 17 . 1 1 51 51 CYS N N 51 114.410 114.410 123.046 -8.636 25675 7900 1 17 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.737 -0.192 25675 7901 1 17 . 1 1 51 51 CYS C C 51 174.248 174.248 175.061 -0.813 25675 7902 1 17 . 1 1 51 51 CYS CA C 51 57.407 57.407 58.895 -1.488 25675 7903 1 17 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.352 0.461 25675 7904 1 17 . 1 1 51 51 CYS H H 51 9.094 9.094 8.577 0.517 25675 7905 1 17 . 1 1 52 52 GLY N N 52 106.620 106.620 108.028 -1.408 25675 7906 1 17 . 1 1 52 52 GLY C C 52 170.769 170.769 171.895 -1.126 25675 7907 1 17 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.411 0.550 25675 7908 1 17 . 1 1 52 52 GLY H H 52 7.467 7.467 7.699 -0.232 25675 7909 1 17 . 1 1 53 53 LEU N N 53 117.961 117.961 121.943 -3.982 25675 7910 1 17 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.166 0.179 25675 7911 1 17 . 1 1 53 53 LEU C C 53 175.563 175.563 176.094 -0.531 25675 7912 1 17 . 1 1 53 53 LEU CA C 53 53.652 53.652 53.594 0.058 25675 7913 1 17 . 1 1 53 53 LEU CB C 53 48.585 48.585 45.781 2.804 25675 7914 1 17 . 1 1 53 53 LEU H H 53 8.900 8.900 8.360 0.540 25675 7915 1 17 . 1 1 54 54 ARG N N 54 119.739 119.739 120.771 -1.032 25675 7916 1 17 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.459 1.152 25675 7917 1 17 . 1 1 54 54 ARG C C 54 173.638 173.638 174.443 -0.805 25675 7918 1 17 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.618 -0.171 25675 7919 1 17 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.003 0.535 25675 7920 1 17 . 1 1 54 54 ARG H H 54 9.493 9.493 8.265 1.228 25675 7921 1 17 . 1 1 55 55 TYR N N 55 115.879 115.879 118.561 -2.682 25675 7922 1 17 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.721 0.067 25675 7923 1 17 . 1 1 55 55 TYR C C 55 172.417 172.417 174.383 -1.966 25675 7924 1 17 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.637 -1.644 25675 7925 1 17 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.388 0.712 25675 7926 1 17 . 1 1 55 55 TYR H H 55 8.972 8.972 8.113 0.859 25675 7927 1 17 . 1 1 56 56 ARG N N 56 121.380 121.380 123.981 -2.601 25675 7928 1 17 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.703 -0.420 25675 7929 1 17 . 1 1 56 56 ARG C C 56 175.598 175.598 173.960 1.638 25675 7930 1 17 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.567 0.601 25675 7931 1 17 . 1 1 56 56 ARG CB C 56 30.753 30.753 33.021 -2.268 25675 7932 1 17 . 1 1 56 56 ARG H H 56 8.883 8.883 8.212 0.671 25675 7933 1 17 . 1 1 57 57 ASN N N 57 127.980 127.980 125.606 2.374 25675 7934 1 17 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.269 -0.461 25675 7935 1 17 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.565 0.690 25675 7936 1 17 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.471 -1.730 25675 7937 1 17 . 1 1 57 57 ASN H H 57 8.428 8.428 8.457 -0.029 25675 7938 1 17 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.444 -0.151 25675 7939 1 17 . 1 1 58 58 PRO C C 58 177.241 177.241 177.447 -0.206 25675 7940 1 17 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.954 -0.362 25675 7941 1 17 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.874 0.414 25675 7942 1 17 . 1 1 59 59 VAL N N 59 117.104 117.104 113.411 3.693 25675 7943 1 17 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.058 -0.149 25675 7944 1 17 . 1 1 59 59 VAL C C 59 177.077 177.077 177.093 -0.016 25675 7945 1 17 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.172 0.550 25675 7946 1 17 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.604 0.357 25675 7947 1 17 . 1 1 59 59 VAL H H 59 7.965 7.965 7.876 0.089 25675 7948 1 17 . 1 1 60 60 SER N N 60 113.119 113.119 114.242 -1.123 25675 7949 1 17 . 1 1 60 60 SER HA H 60 4.427 4.427 4.312 0.115 25675 7950 1 17 . 1 1 60 60 SER C C 60 175.252 175.252 174.955 0.297 25675 7951 1 17 . 1 1 60 60 SER CA C 60 58.314 58.314 58.450 -0.136 25675 7952 1 17 . 1 1 60 60 SER CB C 60 65.134 65.134 63.024 2.110 25675 7953 1 17 . 1 1 60 60 SER H H 60 7.691 7.691 7.764 -0.073 25675 7954 1 17 . 1 1 61 61 GLN N N 61 115.138 115.138 116.193 -1.055 25675 7955 1 17 . 1 1 61 61 GLN HA H 61 3.860 3.860 4.026 -0.166 25675 7956 1 17 . 1 1 61 61 GLN C C 61 174.882 174.882 175.225 -0.343 25675 7957 1 17 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.083 0.253 25675 7958 1 17 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.699 -0.699 25675 7959 1 17 . 1 1 61 61 GLN H H 61 8.309 8.309 7.899 0.410 25675 7960 1 17 . 1 1 62 62 CYS N N 62 116.568 116.568 117.527 -0.959 25675 7961 1 17 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.645 -0.113 25675 7962 1 17 . 1 1 62 62 CYS C C 62 174.242 174.242 173.755 0.487 25675 7963 1 17 . 1 1 62 62 CYS CA C 62 58.084 58.084 57.817 0.267 25675 7964 1 17 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.735 -0.479 25675 7965 1 17 . 1 1 62 62 CYS H H 62 7.664 7.664 7.727 -0.063 25675 7966 1 17 . 1 1 63 63 MET N N 63 122.627 122.627 122.026 0.601 25675 7967 1 17 . 1 1 63 63 MET HA H 63 4.095 4.095 4.781 -0.686 25675 7968 1 17 . 1 1 63 63 MET C C 63 176.437 176.437 175.131 1.306 25675 7969 1 17 . 1 1 63 63 MET CA C 63 54.992 54.992 54.015 0.977 25675 7970 1 17 . 1 1 63 63 MET CB C 63 32.828 32.828 32.379 0.449 25675 7971 1 17 . 1 1 63 63 MET H H 63 8.733 8.733 8.308 0.425 25675 7972 1 17 . 1 1 64 64 ARG N N 64 124.300 124.300 119.835 4.465 25675 7973 1 17 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.374 0.093 25675 7974 1 17 . 1 1 64 64 ARG C C 64 174.618 174.618 175.548 -0.930 25675 7975 1 17 . 1 1 64 64 ARG CA C 64 53.788 53.788 55.989 -2.201 25675 7976 1 17 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.151 2.385 25675 7977 1 17 . 1 1 64 64 ARG H H 64 8.995 8.995 7.338 1.657 25675 7978 1 17 . 1 1 65 65 GLY N N 65 122.716 122.716 105.930 16.786 25675 7979 1 17 . 1 1 65 65 GLY C C 65 174.589 174.589 173.542 1.047 25675 7980 1 17 . 1 1 65 65 GLY H H 65 8.474 8.474 8.145 0.329 25675 7981 1 17 . 1 1 66 66 VAL N N 66 124.050 124.050 119.101 4.949 25675 7982 1 17 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.688 0.507 25675 7983 1 17 . 1 1 66 66 VAL C C 66 176.220 176.220 175.288 0.932 25675 7984 1 17 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.145 -0.668 25675 7985 1 17 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.266 0.411 25675 7986 1 17 . 1 1 66 66 VAL H H 66 8.313 8.313 7.750 0.563 25675 7987 1 17 . 1 1 67 67 ARG N N 67 131.490 131.490 126.638 4.852 25675 7988 1 17 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.567 -0.519 25675 7989 1 17 . 1 1 67 67 ARG C C 67 173.497 173.497 174.123 -0.626 25675 7990 1 17 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.585 3.791 25675 7991 1 17 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.058 -0.126 25675 7992 1 17 . 1 1 67 67 ARG H H 67 9.314 9.314 7.925 1.389 25675 7993 1 17 . 1 1 68 68 LEU N N 68 130.230 130.230 128.098 2.132 25675 7994 1 17 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.517 0.687 25675 7995 1 17 . 1 1 68 68 LEU C C 68 175.950 175.950 175.047 0.903 25675 7996 1 17 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.277 -0.463 25675 7997 1 17 . 1 1 68 68 LEU CB C 68 44.093 44.093 42.643 1.450 25675 7998 1 17 . 1 1 68 68 LEU H H 68 8.299 8.299 8.789 -0.490 25675 7999 1 17 . 1 1 69 69 VAL N N 69 127.090 127.090 127.852 -0.762 25675 8000 1 17 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.281 0.046 25675 8001 1 17 . 1 1 69 69 VAL C C 69 176.155 176.155 175.052 1.103 25675 8002 1 17 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.163 0.191 25675 8003 1 17 . 1 1 69 69 VAL CB C 69 35.105 35.105 33.384 1.721 25675 8004 1 17 . 1 1 69 69 VAL H H 69 9.044 9.044 8.476 0.568 25675 8005 1 17 . 1 1 70 70 GLU N N 70 128.672 128.672 126.381 2.291 25675 8006 1 17 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.923 -0.007 25675 8007 1 17 . 1 1 70 70 GLU C C 70 175.891 175.891 176.466 -0.575 25675 8008 1 17 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.243 -0.413 25675 8009 1 17 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.637 -0.447 25675 8010 1 17 . 1 1 70 70 GLU H H 70 9.646 9.646 9.396 0.250 25675 8011 1 17 . 1 1 71 71 GLY N N 71 117.967 117.967 101.700 16.267 25675 8012 1 17 . 1 1 71 71 GLY C C 71 173.327 173.327 174.426 -1.099 25675 8013 1 17 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.365 0.683 25675 8014 1 17 . 1 1 71 71 GLY H H 71 8.417 8.417 8.177 0.240 25675 8015 1 17 . 1 1 72 72 ILE N N 72 123.402 123.402 124.112 -0.710 25675 8016 1 17 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.334 -0.097 25675 8017 1 17 . 1 1 72 72 ILE C C 72 174.882 174.882 176.110 -1.228 25675 8018 1 17 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.897 -0.469 25675 8019 1 17 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.647 1.204 25675 8020 1 17 . 1 1 72 72 ILE H H 72 8.124 8.124 8.004 0.120 25675 8021 1 17 . 1 1 73 73 LEU N N 73 129.380 129.380 130.407 -1.027 25675 8022 1 17 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.842 0.357 25675 8023 1 17 . 1 1 73 73 LEU C C 73 175.932 175.932 177.183 -1.251 25675 8024 1 17 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.933 0.312 25675 8025 1 17 . 1 1 73 73 LEU CB C 73 41.882 41.882 39.644 2.238 25675 8026 1 17 . 1 1 73 73 LEU H H 73 9.353 9.353 8.673 0.680 25675 8027 1 17 . 1 1 74 74 HIS N N 74 120.040 120.040 127.241 -7.201 25675 8028 1 17 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.641 -0.030 25675 8029 1 17 . 1 1 74 74 HIS C C 74 172.371 172.371 173.227 -0.856 25675 8030 1 17 . 1 1 74 74 HIS CA C 74 53.825 53.825 55.045 -1.220 25675 8031 1 17 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.023 -1.172 25675 8032 1 17 . 1 1 74 74 HIS H H 74 8.541 8.541 9.168 -0.627 25675 8033 1 17 . 1 1 75 75 ALA N N 75 125.980 125.980 129.386 -3.406 25675 8034 1 17 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.960 -2.211 25675 8035 1 17 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.782 1.155 25675 8036 1 17 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.765 -1.817 25675 8037 1 17 . 1 1 75 75 ALA H H 75 8.413 8.413 8.224 0.189 25675 8038 1 17 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.148 0.134 25675 8039 1 17 . 1 1 76 76 PRO C C 76 176.185 176.185 175.985 0.200 25675 8040 1 17 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.894 0.387 25675 8041 1 17 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.300 -0.028 25675 8042 1 17 . 1 1 77 77 ASP N N 77 122.297 122.297 114.997 7.300 25675 8043 1 17 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.342 -0.252 25675 8044 1 17 . 1 1 77 77 ASP C C 77 176.977 176.977 176.373 0.604 25675 8045 1 17 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.468 2.036 25675 8046 1 17 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.121 -0.211 25675 8047 1 17 . 1 1 77 77 ASP H H 77 8.454 8.454 8.196 0.258 25675 8048 1 17 . 1 1 78 78 ALA N N 78 118.586 118.586 121.242 -2.656 25675 8049 1 17 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.303 -0.054 25675 8050 1 17 . 1 1 78 78 ALA C C 78 177.458 177.458 177.751 -0.293 25675 8051 1 17 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.182 0.542 25675 8052 1 17 . 1 1 78 78 ALA CB C 78 18.746 18.746 19.910 -1.163 25675 8053 1 17 . 1 1 78 78 ALA H H 78 8.032 8.032 7.602 0.430 25675 8054 1 17 . 1 1 79 79 GLY N N 79 107.830 107.830 105.396 2.434 25675 8055 1 17 . 1 1 79 79 GLY C C 79 172.928 172.928 174.188 -1.260 25675 8056 1 17 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.201 -0.860 25675 8057 1 17 . 1 1 79 79 GLY H H 79 7.902 7.902 7.211 0.691 25675 8058 1 17 . 1 1 80 80 TRP N N 80 119.474 119.474 123.106 -3.632 25675 8059 1 17 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.654 -0.119 25675 8060 1 17 . 1 1 80 80 TRP C C 80 180.190 180.190 177.296 2.894 25675 8061 1 17 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.228 0.442 25675 8062 1 17 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.224 0.862 25675 8063 1 17 . 1 1 80 80 TRP H H 80 8.389 8.389 8.485 -0.096 25675 8064 1 17 . 1 1 81 81 GLY N N 81 103.130 103.130 104.938 -1.808 25675 8065 1 17 . 1 1 81 81 GLY C C 81 174.110 174.110 172.515 1.595 25675 8066 1 17 . 1 1 81 81 GLY CA C 81 45.879 45.879 45.019 0.860 25675 8067 1 17 . 1 1 81 81 GLY H H 81 8.519 8.519 8.553 -0.034 25675 8068 1 17 . 1 1 82 82 ASN N N 82 120.652 120.652 118.535 2.117 25675 8069 1 17 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.297 -0.221 25675 8070 1 17 . 1 1 82 82 ASN C C 82 175.211 175.211 175.352 -0.141 25675 8071 1 17 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.193 -0.208 25675 8072 1 17 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.831 -0.174 25675 8073 1 17 . 1 1 82 82 ASN H H 82 8.800 8.800 8.468 0.332 25675 8074 1 17 . 1 1 83 83 LEU N N 83 118.129 118.129 118.023 0.106 25675 8075 1 17 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.854 -0.725 25675 8076 1 17 . 1 1 83 83 LEU C C 83 174.442 174.442 174.739 -0.297 25675 8077 1 17 . 1 1 83 83 LEU CA C 83 54.799 54.799 54.199 0.600 25675 8078 1 17 . 1 1 83 83 LEU CB C 83 41.857 41.857 43.705 -1.848 25675 8079 1 17 . 1 1 83 83 LEU H H 83 6.883 6.883 7.537 -0.654 25675 8080 1 17 . 1 1 84 84 VAL N N 84 118.316 118.316 117.634 0.682 25675 8081 1 17 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.459 -0.404 25675 8082 1 17 . 1 1 84 84 VAL C C 84 174.630 174.630 174.252 0.378 25675 8083 1 17 . 1 1 84 84 VAL CA C 84 62.443 62.443 60.803 1.640 25675 8084 1 17 . 1 1 84 84 VAL CB C 84 31.958 31.958 34.180 -2.222 25675 8085 1 17 . 1 1 84 84 VAL H H 84 7.835 7.835 7.705 0.130 25675 8086 1 17 . 1 1 85 85 TYR N N 85 128.110 128.110 127.064 1.046 25675 8087 1 17 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.411 -0.714 25675 8088 1 17 . 1 1 85 85 TYR C C 85 174.313 174.313 174.075 0.238 25675 8089 1 17 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.355 3.766 25675 8090 1 17 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.320 0.220 25675 8091 1 17 . 1 1 85 85 TYR H H 85 8.886 8.886 8.600 0.286 25675 8092 1 17 . 1 1 86 86 VAL N N 86 122.593 122.593 123.920 -1.327 25675 8093 1 17 . 1 1 86 86 VAL HA H 86 4.755 4.755 4.031 0.724 25675 8094 1 17 . 1 1 86 86 VAL C C 86 176.531 176.531 175.871 0.660 25675 8095 1 17 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.764 -0.765 25675 8096 1 17 . 1 1 86 86 VAL CB C 86 33.419 33.419 33.073 0.346 25675 8097 1 17 . 1 1 86 86 VAL H H 86 9.473 9.473 7.912 1.561 25675 8098 1 17 . 1 1 87 87 VAL N N 87 124.298 124.298 128.367 -4.069 25675 8099 1 17 . 1 1 87 87 VAL HA H 87 3.787 3.787 3.938 -0.151 25675 8100 1 17 . 1 1 87 87 VAL C C 87 174.735 174.735 175.660 -0.925 25675 8101 1 17 . 1 1 87 87 VAL CA C 87 63.726 63.726 63.175 0.551 25675 8102 1 17 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.612 1.111 25675 8103 1 17 . 1 1 87 87 VAL H H 87 7.864 7.864 8.330 -0.466 25675 8104 1 17 . 1 1 88 88 ASN N N 88 123.146 123.146 123.364 -0.218 25675 8105 1 17 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.777 -0.003 25675 8106 1 17 . 1 1 88 88 ASN C C 88 172.900 172.900 173.700 -0.800 25675 8107 1 17 . 1 1 88 88 ASN CA C 88 51.332 51.332 51.933 -0.601 25675 8108 1 17 . 1 1 88 88 ASN CB C 88 40.773 40.773 39.754 1.019 25675 8109 1 17 . 1 1 88 88 ASN H H 88 7.786 7.786 8.046 -0.260 25675 8110 1 18 . 1 1 3 3 GLY C C 3 173.761 173.761 174.912 -1.151 25675 8111 1 18 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.011 0.119 25675 8112 1 18 . 1 1 4 4 SER N N 4 115.011 115.011 117.666 -2.655 25675 8113 1 18 . 1 1 4 4 SER HA H 4 4.304 4.304 4.620 -0.316 25675 8114 1 18 . 1 1 4 4 SER C C 4 174.600 174.600 174.029 0.571 25675 8115 1 18 . 1 1 4 4 SER CA C 4 57.900 57.900 58.569 -0.669 25675 8116 1 18 . 1 1 4 4 SER CB C 4 63.800 63.800 63.616 0.184 25675 8117 1 18 . 1 1 4 4 SER H H 4 8.185 8.185 8.172 0.013 25675 8118 1 18 . 1 1 5 5 HIS N N 5 120.326 120.326 124.278 -3.952 25675 8119 1 18 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.705 -0.103 25675 8120 1 18 . 1 1 5 5 HIS C C 5 174.200 174.200 174.869 -0.669 25675 8121 1 18 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.736 -0.468 25675 8122 1 18 . 1 1 5 5 HIS CB C 5 29.000 29.000 31.521 -2.521 25675 8123 1 18 . 1 1 5 5 HIS H H 5 8.641 8.641 8.649 -0.008 25675 8124 1 18 . 1 1 6 6 HIS N N 6 119.478 119.478 118.346 1.132 25675 8125 1 18 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.126 0.501 25675 8126 1 18 . 1 1 6 6 HIS C C 6 174.100 174.100 174.483 -0.383 25675 8127 1 18 . 1 1 6 6 HIS CA C 6 55.268 55.268 56.674 -1.406 25675 8128 1 18 . 1 1 6 6 HIS CB C 6 29.300 29.300 28.555 0.745 25675 8129 1 18 . 1 1 6 6 HIS H H 6 8.555 8.555 7.959 0.596 25675 8130 1 18 . 1 1 7 7 HIS N N 7 120.507 120.507 118.086 2.421 25675 8131 1 18 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.484 0.097 25675 8132 1 18 . 1 1 7 7 HIS C C 7 174.100 174.100 175.894 -1.794 25675 8133 1 18 . 1 1 7 7 HIS CA C 7 55.268 55.268 57.767 -2.499 25675 8134 1 18 . 1 1 7 7 HIS CB C 7 29.300 29.300 30.513 -1.213 25675 8135 1 18 . 1 1 7 7 HIS H H 7 8.777 8.777 8.552 0.225 25675 8136 1 18 . 1 1 8 8 HIS N N 8 120.616 120.616 118.472 2.144 25675 8137 1 18 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.546 0.054 25675 8138 1 18 . 1 1 8 8 HIS C C 8 174.200 174.200 174.280 -0.080 25675 8139 1 18 . 1 1 8 8 HIS CA C 8 55.268 55.268 56.662 -1.394 25675 8140 1 18 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.145 -0.845 25675 8141 1 18 . 1 1 8 8 HIS H H 8 8.777 8.777 8.450 0.327 25675 8142 1 18 . 1 1 9 9 HIS N N 9 121.131 121.131 115.648 5.483 25675 8143 1 18 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.551 0.029 25675 8144 1 18 . 1 1 9 9 HIS C C 9 173.990 173.990 174.730 -0.740 25675 8145 1 18 . 1 1 9 9 HIS CA C 9 55.000 55.000 55.227 -0.227 25675 8146 1 18 . 1 1 9 9 HIS CB C 9 29.400 29.400 32.731 -3.331 25675 8147 1 18 . 1 1 9 9 HIS H H 9 8.785 8.785 8.634 0.151 25675 8148 1 18 . 1 1 10 10 HIS N N 10 121.437 121.437 117.830 3.607 25675 8149 1 18 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.691 -0.097 25675 8150 1 18 . 1 1 10 10 HIS C C 10 174.577 174.577 174.311 0.266 25675 8151 1 18 . 1 1 10 10 HIS CA C 10 55.268 55.268 55.046 0.222 25675 8152 1 18 . 1 1 10 10 HIS CB C 10 28.900 28.900 31.055 -2.155 25675 8153 1 18 . 1 1 10 10 HIS H H 10 8.769 8.769 8.528 0.241 25675 8154 1 18 . 1 1 11 11 GLY N N 11 111.579 111.579 111.423 0.156 25675 8155 1 18 . 1 1 11 11 GLY C C 11 174.184 174.184 174.315 -0.131 25675 8156 1 18 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.585 0.755 25675 8157 1 18 . 1 1 11 11 GLY H H 11 8.559 8.559 8.441 0.118 25675 8158 1 18 . 1 1 12 12 SER N N 12 115.987 115.987 120.325 -4.338 25675 8159 1 18 . 1 1 12 12 SER HA H 12 4.407 4.407 4.347 0.060 25675 8160 1 18 . 1 1 12 12 SER C C 12 174.817 174.817 175.637 -0.820 25675 8161 1 18 . 1 1 12 12 SER CA C 12 58.529 58.529 60.594 -2.066 25675 8162 1 18 . 1 1 12 12 SER CB C 12 63.780 63.780 63.631 0.149 25675 8163 1 18 . 1 1 12 12 SER H H 12 8.353 8.353 8.526 -0.173 25675 8164 1 18 . 1 1 13 13 MET N N 13 121.805 121.805 119.865 1.940 25675 8165 1 18 . 1 1 13 13 MET HA H 13 4.521 4.521 4.439 0.082 25675 8166 1 18 . 1 1 13 13 MET C C 13 176.003 176.003 175.643 0.360 25675 8167 1 18 . 1 1 13 13 MET CA C 13 55.503 55.503 56.184 -0.681 25675 8168 1 18 . 1 1 13 13 MET CB C 13 32.843 32.843 33.054 -0.211 25675 8169 1 18 . 1 1 13 13 MET H H 13 8.432 8.432 8.174 0.258 25675 8170 1 18 . 1 1 14 14 SER N N 14 116.515 116.515 115.083 1.432 25675 8171 1 18 . 1 1 14 14 SER HA H 14 4.265 4.265 4.421 -0.156 25675 8172 1 18 . 1 1 14 14 SER C C 14 174.055 174.055 173.861 0.194 25675 8173 1 18 . 1 1 14 14 SER H H 14 8.205 8.205 7.694 0.511 25675 8174 1 18 . 1 1 15 15 GLU N N 15 122.455 122.455 126.440 -3.985 25675 8175 1 18 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.606 -0.371 25675 8176 1 18 . 1 1 15 15 GLU C C 15 174.900 174.900 175.220 -0.320 25675 8177 1 18 . 1 1 15 15 GLU CA C 15 55.628 55.628 54.705 0.923 25675 8178 1 18 . 1 1 15 15 GLU CB C 15 30.225 30.225 33.170 -2.945 25675 8179 1 18 . 1 1 15 15 GLU H H 15 8.292 8.292 8.677 -0.385 25675 8180 1 18 . 1 1 16 16 TYR N N 16 118.896 118.896 118.396 0.500 25675 8181 1 18 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.641 0.420 25675 8182 1 18 . 1 1 16 16 TYR C C 16 174.935 174.935 174.776 0.159 25675 8183 1 18 . 1 1 16 16 TYR CA C 16 56.712 56.712 56.527 0.185 25675 8184 1 18 . 1 1 16 16 TYR CB C 16 41.507 41.507 39.634 1.873 25675 8185 1 18 . 1 1 16 16 TYR H H 16 7.955 7.955 7.920 0.035 25675 8186 1 18 . 1 1 17 17 ILE N N 17 115.711 115.711 121.534 -5.823 25675 8187 1 18 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.377 0.172 25675 8188 1 18 . 1 1 17 17 ILE C C 17 174.747 174.747 174.215 0.532 25675 8189 1 18 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.915 -0.473 25675 8190 1 18 . 1 1 17 17 ILE CB C 17 40.859 40.859 39.189 1.670 25675 8191 1 18 . 1 1 17 17 ILE H H 17 8.890 8.890 7.873 1.017 25675 8192 1 18 . 1 1 18 18 ARG N N 18 123.175 123.175 129.324 -6.149 25675 8193 1 18 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.317 -0.437 25675 8194 1 18 . 1 1 18 18 ARG C C 18 174.988 174.988 174.910 0.078 25675 8195 1 18 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.737 1.107 25675 8196 1 18 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.407 0.323 25675 8197 1 18 . 1 1 18 18 ARG H H 18 8.636 8.636 8.411 0.225 25675 8198 1 18 . 1 1 19 19 VAL N N 19 122.554 122.554 120.154 2.400 25675 8199 1 18 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.713 -0.249 25675 8200 1 18 . 1 1 19 19 VAL C C 19 173.984 173.984 174.842 -0.858 25675 8201 1 18 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.143 0.751 25675 8202 1 18 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.471 0.238 25675 8203 1 18 . 1 1 19 19 VAL H H 19 8.916 8.916 8.161 0.755 25675 8204 1 18 . 1 1 20 20 THR N N 20 118.638 118.638 115.385 3.253 25675 8205 1 18 . 1 1 20 20 THR HA H 20 5.081 5.081 4.879 0.202 25675 8206 1 18 . 1 1 20 20 THR C C 20 172.312 172.312 175.068 -2.756 25675 8207 1 18 . 1 1 20 20 THR CA C 20 57.731 57.731 59.158 -1.427 25675 8208 1 18 . 1 1 20 20 THR CB C 20 71.835 71.835 71.110 0.725 25675 8209 1 18 . 1 1 20 20 THR H H 20 8.794 8.794 8.035 0.759 25675 8210 1 18 . 1 1 21 21 GLU N N 21 124.307 124.307 123.173 1.134 25675 8211 1 18 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.258 0.916 25675 8212 1 18 . 1 1 21 21 GLU C C 21 175.258 175.258 175.712 -0.454 25675 8213 1 18 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.196 -2.296 25675 8214 1 18 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.180 -1.228 25675 8215 1 18 . 1 1 21 21 GLU H H 21 8.792 8.792 8.884 -0.092 25675 8216 1 18 . 1 1 22 22 ASP N N 22 117.282 117.282 115.244 2.038 25675 8217 1 18 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.800 -0.196 25675 8218 1 18 . 1 1 22 22 ASP C C 22 175.387 175.387 175.124 0.263 25675 8219 1 18 . 1 1 22 22 ASP CA C 22 53.465 53.465 52.979 0.486 25675 8220 1 18 . 1 1 22 22 ASP CB C 22 42.875 42.875 44.290 -1.415 25675 8221 1 18 . 1 1 22 22 ASP H H 22 7.932 7.932 7.551 0.381 25675 8222 1 18 . 1 1 23 23 GLU N N 23 123.785 123.785 118.153 5.632 25675 8223 1 18 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.063 -0.125 25675 8224 1 18 . 1 1 23 23 GLU C C 23 176.062 176.062 176.774 -0.712 25675 8225 1 18 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.610 0.832 25675 8226 1 18 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.623 -0.187 25675 8227 1 18 . 1 1 23 23 GLU H H 23 9.232 9.232 8.667 0.565 25675 8228 1 18 . 1 1 24 24 ASN N N 24 115.807 115.807 117.760 -1.953 25675 8229 1 18 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.621 0.067 25675 8230 1 18 . 1 1 24 24 ASN C C 24 174.636 174.636 175.575 -0.939 25675 8231 1 18 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.553 -0.655 25675 8232 1 18 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.166 0.737 25675 8233 1 18 . 1 1 24 24 ASN H H 24 8.694 8.694 8.465 0.229 25675 8234 1 18 . 1 1 25 25 ASP N N 25 119.629 119.629 120.150 -0.521 25675 8235 1 18 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.896 0.059 25675 8236 1 18 . 1 1 25 25 ASP C C 25 175.269 175.269 174.848 0.421 25675 8237 1 18 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.175 -0.985 25675 8238 1 18 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.498 -1.706 25675 8239 1 18 . 1 1 25 25 ASP H H 25 7.987 7.987 7.559 0.428 25675 8240 1 18 . 1 1 26 26 GLU N N 26 123.692 123.692 118.300 5.392 25675 8241 1 18 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.606 -0.084 25675 8242 1 18 . 1 1 26 26 GLU CA C 26 54.120 54.120 53.970 0.150 25675 8243 1 18 . 1 1 26 26 GLU CB C 26 28.899 28.899 30.510 -1.611 25675 8244 1 18 . 1 1 26 26 GLU H H 26 8.718 8.718 8.451 0.267 25675 8245 1 18 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.506 0.223 25675 8246 1 18 . 1 1 27 27 PRO C C 27 176.126 176.126 175.679 0.447 25675 8247 1 18 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.946 -0.595 25675 8248 1 18 . 1 1 27 27 PRO CB C 27 33.519 33.519 32.183 1.336 25675 8249 1 18 . 1 1 28 28 ILE N N 28 118.646 118.646 124.825 -6.179 25675 8250 1 18 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.455 0.019 25675 8251 1 18 . 1 1 28 28 ILE C C 28 175.181 175.181 173.728 1.453 25675 8252 1 18 . 1 1 28 28 ILE CA C 28 59.448 59.448 58.734 0.714 25675 8253 1 18 . 1 1 28 28 ILE CB C 28 40.626 40.626 41.030 -0.404 25675 8254 1 18 . 1 1 28 28 ILE H H 28 9.244 9.244 7.955 1.289 25675 8255 1 18 . 1 1 29 29 GLU N N 29 120.763 120.763 127.966 -7.203 25675 8256 1 18 . 1 1 29 29 GLU HA H 29 4.905 4.905 4.976 -0.071 25675 8257 1 18 . 1 1 29 29 GLU C C 29 175.739 175.739 175.634 0.105 25675 8258 1 18 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.867 0.420 25675 8259 1 18 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.056 -1.016 25675 8260 1 18 . 1 1 29 29 GLU H H 29 8.220 8.220 8.483 -0.263 25675 8261 1 18 . 1 1 30 30 ILE N N 30 124.950 124.950 118.735 6.215 25675 8262 1 18 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.722 0.024 25675 8263 1 18 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.473 -1.759 25675 8264 1 18 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.410 -0.556 25675 8265 1 18 . 1 1 30 30 ILE H H 30 9.307 9.307 8.572 0.735 25675 8266 1 18 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.549 -0.166 25675 8267 1 18 . 1 1 31 31 PRO C C 31 175.768 175.768 175.625 0.143 25675 8268 1 18 . 1 1 31 31 PRO CA C 31 62.782 62.782 63.068 -0.286 25675 8269 1 18 . 1 1 31 31 PRO CB C 31 32.367 32.367 31.946 0.421 25675 8270 1 18 . 1 1 32 32 SER N N 32 114.522 114.522 117.226 -2.704 25675 8271 1 18 . 1 1 32 32 SER HA H 32 4.567 4.567 4.726 -0.159 25675 8272 1 18 . 1 1 32 32 SER C C 32 175.170 175.170 173.900 1.270 25675 8273 1 18 . 1 1 32 32 SER CA C 32 56.211 56.211 56.693 -0.482 25675 8274 1 18 . 1 1 32 32 SER CB C 32 65.701 65.701 66.139 -0.438 25675 8275 1 18 . 1 1 32 32 SER H H 32 7.835 7.835 8.026 -0.191 25675 8276 1 18 . 1 1 33 33 GLU N N 33 118.001 118.001 119.582 -1.581 25675 8277 1 18 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.432 -0.139 25675 8278 1 18 . 1 1 33 33 GLU C C 33 178.843 178.843 177.089 1.754 25675 8279 1 18 . 1 1 33 33 GLU CB C 33 30.593 30.593 30.995 -0.402 25675 8280 1 18 . 1 1 33 33 GLU H H 33 9.229 9.229 8.662 0.567 25675 8281 1 18 . 1 1 34 34 ASP N N 34 122.097 122.097 117.176 4.921 25675 8282 1 18 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.416 -0.144 25675 8283 1 18 . 1 1 34 34 ASP C C 34 175.680 175.680 177.602 -1.922 25675 8284 1 18 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.643 0.319 25675 8285 1 18 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.771 -0.685 25675 8286 1 18 . 1 1 34 34 ASP H H 34 9.067 9.067 8.593 0.474 25675 8287 1 18 . 1 1 35 35 ASP N N 35 115.678 115.678 118.083 -2.405 25675 8288 1 18 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.449 0.046 25675 8289 1 18 . 1 1 35 35 ASP C C 35 177.470 177.470 177.018 0.452 25675 8290 1 18 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.239 -2.322 25675 8291 1 18 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.818 -1.005 25675 8292 1 18 . 1 1 35 35 ASP H H 35 7.701 7.701 8.290 -0.589 25675 8293 1 18 . 1 1 36 36 GLY N N 36 107.781 107.781 106.154 1.627 25675 8294 1 18 . 1 1 36 36 GLY C C 36 175.387 175.387 174.125 1.262 25675 8295 1 18 . 1 1 36 36 GLY CA C 36 45.526 45.526 44.977 0.549 25675 8296 1 18 . 1 1 36 36 GLY H H 36 8.211 8.211 7.414 0.797 25675 8297 1 18 . 1 1 37 37 THR N N 37 113.224 113.224 112.142 1.082 25675 8298 1 18 . 1 1 37 37 THR HA H 37 4.787 4.787 4.666 0.121 25675 8299 1 18 . 1 1 37 37 THR C C 37 175.874 175.874 173.676 2.198 25675 8300 1 18 . 1 1 37 37 THR CA C 37 61.569 61.569 61.207 0.362 25675 8301 1 18 . 1 1 37 37 THR CB C 37 71.292 71.292 70.834 0.458 25675 8302 1 18 . 1 1 37 37 THR H H 37 7.890 7.890 7.477 0.413 25675 8303 1 18 . 1 1 38 38 VAL N N 38 117.698 117.698 120.002 -2.304 25675 8304 1 18 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.402 -0.055 25675 8305 1 18 . 1 1 38 38 VAL C C 38 175.187 175.187 174.491 0.696 25675 8306 1 18 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.101 -0.064 25675 8307 1 18 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.213 0.261 25675 8308 1 18 . 1 1 38 38 VAL H H 38 8.382 8.382 8.105 0.277 25675 8309 1 18 . 1 1 39 39 LEU N N 39 126.182 126.182 126.596 -0.414 25675 8310 1 18 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.209 0.290 25675 8311 1 18 . 1 1 39 39 LEU C C 39 178.655 178.655 177.880 0.775 25675 8312 1 18 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.135 -0.141 25675 8313 1 18 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.337 -1.677 25675 8314 1 18 . 1 1 39 39 LEU H H 39 8.516 8.516 8.527 -0.011 25675 8315 1 18 . 1 1 40 40 LEU N N 40 125.652 125.652 124.552 1.100 25675 8316 1 18 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.008 -0.035 25675 8317 1 18 . 1 1 40 40 LEU C C 40 178.620 178.620 178.774 -0.154 25675 8318 1 18 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.475 0.781 25675 8319 1 18 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.575 -0.577 25675 8320 1 18 . 1 1 40 40 LEU H H 40 8.666 8.666 8.771 -0.105 25675 8321 1 18 . 1 1 41 41 SER N N 41 112.797 112.797 112.377 0.420 25675 8322 1 18 . 1 1 41 41 SER HA H 41 4.359 4.359 4.223 0.136 25675 8323 1 18 . 1 1 41 41 SER C C 41 176.760 176.760 175.899 0.861 25675 8324 1 18 . 1 1 41 41 SER CA C 41 60.390 60.390 61.170 -0.780 25675 8325 1 18 . 1 1 41 41 SER CB C 41 62.032 62.032 62.800 -0.768 25675 8326 1 18 . 1 1 41 41 SER H H 41 8.758 8.758 8.330 0.428 25675 8327 1 18 . 1 1 42 42 THR N N 42 121.066 121.066 117.562 3.504 25675 8328 1 18 . 1 1 42 42 THR HA H 42 3.993 3.993 4.171 -0.178 25675 8329 1 18 . 1 1 42 42 THR C C 42 176.226 176.226 175.897 0.329 25675 8330 1 18 . 1 1 42 42 THR CA C 42 65.206 65.206 64.967 0.239 25675 8331 1 18 . 1 1 42 42 THR CB C 42 67.912 67.912 69.011 -1.099 25675 8332 1 18 . 1 1 42 42 THR H H 42 7.461 7.461 7.626 -0.165 25675 8333 1 18 . 1 1 43 43 VAL N N 43 120.996 120.996 121.147 -0.151 25675 8334 1 18 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.610 -0.016 25675 8335 1 18 . 1 1 43 43 VAL C C 43 178.796 178.796 177.312 1.484 25675 8336 1 18 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.515 0.293 25675 8337 1 18 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.834 0.006 25675 8338 1 18 . 1 1 43 43 VAL H H 43 7.288 7.288 7.467 -0.179 25675 8339 1 18 . 1 1 44 44 THR N N 44 113.305 113.305 110.293 3.012 25675 8340 1 18 . 1 1 44 44 THR HA H 44 4.202 4.202 4.367 -0.165 25675 8341 1 18 . 1 1 44 44 THR C C 44 176.337 176.337 175.312 1.025 25675 8342 1 18 . 1 1 44 44 THR CA C 44 64.358 64.358 64.285 0.073 25675 8343 1 18 . 1 1 44 44 THR CB C 44 68.969 68.969 68.846 0.123 25675 8344 1 18 . 1 1 44 44 THR H H 44 9.189 9.189 7.689 1.500 25675 8345 1 18 . 1 1 45 45 ALA N N 45 121.618 121.618 124.509 -2.891 25675 8346 1 18 . 1 1 45 45 ALA HA H 45 4.049 4.049 3.983 0.066 25675 8347 1 18 . 1 1 45 45 ALA C C 45 178.685 178.685 178.882 -0.197 25675 8348 1 18 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.367 0.259 25675 8349 1 18 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.753 -0.476 25675 8350 1 18 . 1 1 45 45 ALA H H 45 7.274 7.274 7.181 0.093 25675 8351 1 18 . 1 1 46 46 GLN N N 46 112.595 112.595 113.970 -1.375 25675 8352 1 18 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.298 -0.168 25675 8353 1 18 . 1 1 46 46 GLN C C 46 174.823 174.823 175.696 -0.873 25675 8354 1 18 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.749 -0.499 25675 8355 1 18 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.432 -0.512 25675 8356 1 18 . 1 1 46 46 GLN H H 46 6.860 6.860 7.624 -0.764 25675 8357 1 18 . 1 1 47 47 PHE N N 47 118.197 118.197 119.083 -0.886 25675 8358 1 18 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.104 -0.139 25675 8359 1 18 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.943 0.798 25675 8360 1 18 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.134 0.480 25675 8361 1 18 . 1 1 47 47 PHE H H 47 8.344 8.344 7.621 0.723 25675 8362 1 18 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.496 -0.056 25675 8363 1 18 . 1 1 48 48 PRO C C 48 178.626 178.626 177.605 1.021 25675 8364 1 18 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.631 0.709 25675 8365 1 18 . 1 1 48 48 PRO CB C 48 31.446 31.446 32.206 -0.760 25675 8366 1 18 . 1 1 49 49 GLY N N 49 111.697 111.697 110.942 0.755 25675 8367 1 18 . 1 1 49 49 GLY C C 49 174.307 174.307 173.772 0.535 25675 8368 1 18 . 1 1 49 49 GLY CA C 49 44.761 44.761 45.152 -0.391 25675 8369 1 18 . 1 1 49 49 GLY H H 49 8.849 8.849 8.659 0.190 25675 8370 1 18 . 1 1 50 50 ALA N N 50 122.602 122.602 121.432 1.170 25675 8371 1 18 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.688 -0.860 25675 8372 1 18 . 1 1 50 50 ALA C C 50 177.534 177.534 176.016 1.518 25675 8373 1 18 . 1 1 50 50 ALA CA C 50 53.406 53.406 51.856 1.550 25675 8374 1 18 . 1 1 50 50 ALA CB C 50 20.390 20.390 19.093 1.297 25675 8375 1 18 . 1 1 50 50 ALA H H 50 8.032 8.032 7.547 0.485 25675 8376 1 18 . 1 1 51 51 CYS N N 51 114.410 114.410 123.492 -9.082 25675 8377 1 18 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.627 -0.082 25675 8378 1 18 . 1 1 51 51 CYS C C 51 174.248 174.248 175.108 -0.860 25675 8379 1 18 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.423 -2.016 25675 8380 1 18 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.862 -0.049 25675 8381 1 18 . 1 1 51 51 CYS H H 51 9.094 9.094 8.339 0.755 25675 8382 1 18 . 1 1 52 52 GLY N N 52 106.620 106.620 107.855 -1.235 25675 8383 1 18 . 1 1 52 52 GLY C C 52 170.769 170.769 171.926 -1.157 25675 8384 1 18 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.463 0.498 25675 8385 1 18 . 1 1 52 52 GLY H H 52 7.467 7.467 8.419 -0.952 25675 8386 1 18 . 1 1 53 53 LEU N N 53 117.961 117.961 122.805 -4.844 25675 8387 1 18 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.405 -0.060 25675 8388 1 18 . 1 1 53 53 LEU C C 53 175.563 175.563 176.554 -0.991 25675 8389 1 18 . 1 1 53 53 LEU CA C 53 53.652 53.652 53.235 0.417 25675 8390 1 18 . 1 1 53 53 LEU CB C 53 48.585 48.585 45.066 3.518 25675 8391 1 18 . 1 1 53 53 LEU H H 53 8.900 8.900 8.324 0.576 25675 8392 1 18 . 1 1 54 54 ARG N N 54 119.739 119.739 119.285 0.454 25675 8393 1 18 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.476 1.135 25675 8394 1 18 . 1 1 54 54 ARG C C 54 173.638 173.638 174.746 -1.108 25675 8395 1 18 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.561 -0.114 25675 8396 1 18 . 1 1 54 54 ARG CB C 54 34.538 34.538 33.486 1.052 25675 8397 1 18 . 1 1 54 54 ARG H H 54 9.493 9.493 8.198 1.295 25675 8398 1 18 . 1 1 55 55 TYR N N 55 115.879 115.879 118.699 -2.820 25675 8399 1 18 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.717 0.071 25675 8400 1 18 . 1 1 55 55 TYR C C 55 172.417 172.417 174.558 -2.141 25675 8401 1 18 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.755 -1.762 25675 8402 1 18 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.276 0.824 25675 8403 1 18 . 1 1 55 55 TYR H H 55 8.972 8.972 8.203 0.769 25675 8404 1 18 . 1 1 56 56 ARG N N 56 121.380 121.380 123.883 -2.503 25675 8405 1 18 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.704 -0.421 25675 8406 1 18 . 1 1 56 56 ARG C C 56 175.598 175.598 174.007 1.591 25675 8407 1 18 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.492 0.676 25675 8408 1 18 . 1 1 56 56 ARG CB C 56 30.753 30.753 33.060 -2.307 25675 8409 1 18 . 1 1 56 56 ARG H H 56 8.883 8.883 8.241 0.642 25675 8410 1 18 . 1 1 57 57 ASN N N 57 127.980 127.980 125.467 2.513 25675 8411 1 18 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.282 -0.474 25675 8412 1 18 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.466 0.789 25675 8413 1 18 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.443 -1.702 25675 8414 1 18 . 1 1 57 57 ASN H H 57 8.428 8.428 8.688 -0.260 25675 8415 1 18 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.496 -0.203 25675 8416 1 18 . 1 1 58 58 PRO C C 58 177.241 177.241 177.236 0.005 25675 8417 1 18 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.785 -0.193 25675 8418 1 18 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.931 0.357 25675 8419 1 18 . 1 1 59 59 VAL N N 59 117.104 117.104 112.934 4.170 25675 8420 1 18 . 1 1 59 59 VAL HA H 59 3.909 3.909 3.962 -0.053 25675 8421 1 18 . 1 1 59 59 VAL C C 59 177.077 177.077 176.882 0.195 25675 8422 1 18 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.549 0.173 25675 8423 1 18 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.779 0.182 25675 8424 1 18 . 1 1 59 59 VAL H H 59 7.965 7.965 8.072 -0.107 25675 8425 1 18 . 1 1 60 60 SER N N 60 113.119 113.119 115.726 -2.607 25675 8426 1 18 . 1 1 60 60 SER HA H 60 4.427 4.427 4.375 0.052 25675 8427 1 18 . 1 1 60 60 SER C C 60 175.252 175.252 174.406 0.846 25675 8428 1 18 . 1 1 60 60 SER CA C 60 58.314 58.314 59.495 -1.181 25675 8429 1 18 . 1 1 60 60 SER CB C 60 65.134 65.134 63.364 1.770 25675 8430 1 18 . 1 1 60 60 SER H H 60 7.691 7.691 7.591 0.100 25675 8431 1 18 . 1 1 61 61 GLN N N 61 115.138 115.138 115.275 -0.137 25675 8432 1 18 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.961 -0.101 25675 8433 1 18 . 1 1 61 61 GLN C C 61 174.882 174.882 175.227 -0.345 25675 8434 1 18 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.044 0.292 25675 8435 1 18 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.490 -0.490 25675 8436 1 18 . 1 1 61 61 GLN H H 61 8.309 8.309 8.336 -0.027 25675 8437 1 18 . 1 1 62 62 CYS N N 62 116.568 116.568 117.051 -0.483 25675 8438 1 18 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.562 -0.030 25675 8439 1 18 . 1 1 62 62 CYS C C 62 174.242 174.242 174.767 -0.525 25675 8440 1 18 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.402 -0.318 25675 8441 1 18 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.464 -0.208 25675 8442 1 18 . 1 1 62 62 CYS H H 62 7.664 7.664 7.782 -0.118 25675 8443 1 18 . 1 1 63 63 MET N N 63 122.627 122.627 121.664 0.963 25675 8444 1 18 . 1 1 63 63 MET HA H 63 4.095 4.095 4.758 -0.663 25675 8445 1 18 . 1 1 63 63 MET C C 63 176.437 176.437 175.438 0.999 25675 8446 1 18 . 1 1 63 63 MET CA C 63 54.992 54.992 54.132 0.860 25675 8447 1 18 . 1 1 63 63 MET CB C 63 32.828 32.828 32.356 0.471 25675 8448 1 18 . 1 1 63 63 MET H H 63 8.733 8.733 8.457 0.276 25675 8449 1 18 . 1 1 64 64 ARG N N 64 124.300 124.300 119.929 4.371 25675 8450 1 18 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.332 0.135 25675 8451 1 18 . 1 1 64 64 ARG C C 64 174.618 174.618 176.004 -1.386 25675 8452 1 18 . 1 1 64 64 ARG CA C 64 53.788 53.788 56.654 -2.866 25675 8453 1 18 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.474 2.061 25675 8454 1 18 . 1 1 64 64 ARG H H 64 8.995 8.995 8.001 0.994 25675 8455 1 18 . 1 1 65 65 GLY N N 65 122.716 122.716 106.766 15.950 25675 8456 1 18 . 1 1 65 65 GLY C C 65 174.589 174.589 173.373 1.216 25675 8457 1 18 . 1 1 65 65 GLY H H 65 8.474 8.474 8.297 0.177 25675 8458 1 18 . 1 1 66 66 VAL N N 66 124.050 124.050 121.020 3.030 25675 8459 1 18 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.633 0.562 25675 8460 1 18 . 1 1 66 66 VAL C C 66 176.220 176.220 175.686 0.534 25675 8461 1 18 . 1 1 66 66 VAL CA C 66 62.477 62.477 62.880 -0.403 25675 8462 1 18 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.881 0.796 25675 8463 1 18 . 1 1 66 66 VAL H H 66 8.313 8.313 7.633 0.679 25675 8464 1 18 . 1 1 67 67 ARG N N 67 131.490 131.490 127.804 3.686 25675 8465 1 18 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.575 -0.527 25675 8466 1 18 . 1 1 67 67 ARG C C 67 173.497 173.497 174.302 -0.805 25675 8467 1 18 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.700 3.676 25675 8468 1 18 . 1 1 67 67 ARG CB C 67 30.932 30.932 32.059 -1.127 25675 8469 1 18 . 1 1 67 67 ARG H H 67 9.314 9.314 7.945 1.369 25675 8470 1 18 . 1 1 68 68 LEU N N 68 130.230 130.230 126.471 3.759 25675 8471 1 18 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.605 0.599 25675 8472 1 18 . 1 1 68 68 LEU C C 68 175.950 175.950 174.914 1.036 25675 8473 1 18 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.037 -0.223 25675 8474 1 18 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.315 0.778 25675 8475 1 18 . 1 1 68 68 LEU H H 68 8.299 8.299 8.581 -0.282 25675 8476 1 18 . 1 1 69 69 VAL N N 69 127.090 127.090 126.110 0.980 25675 8477 1 18 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.464 -0.137 25675 8478 1 18 . 1 1 69 69 VAL C C 69 176.155 176.155 174.954 1.201 25675 8479 1 18 . 1 1 69 69 VAL CA C 69 61.354 61.354 60.622 0.732 25675 8480 1 18 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.349 0.756 25675 8481 1 18 . 1 1 69 69 VAL H H 69 9.044 9.044 8.639 0.405 25675 8482 1 18 . 1 1 70 70 GLU N N 70 128.672 128.672 125.474 3.198 25675 8483 1 18 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.959 -0.043 25675 8484 1 18 . 1 1 70 70 GLU C C 70 175.891 175.891 175.927 -0.036 25675 8485 1 18 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.436 -0.606 25675 8486 1 18 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.974 -0.784 25675 8487 1 18 . 1 1 70 70 GLU H H 70 9.646 9.646 9.371 0.275 25675 8488 1 18 . 1 1 71 71 GLY N N 71 117.967 117.967 105.036 12.931 25675 8489 1 18 . 1 1 71 71 GLY C C 71 173.327 173.327 174.499 -1.172 25675 8490 1 18 . 1 1 71 71 GLY CA C 71 46.048 46.048 44.981 1.067 25675 8491 1 18 . 1 1 71 71 GLY H H 71 8.417 8.417 8.420 -0.003 25675 8492 1 18 . 1 1 72 72 ILE N N 72 123.402 123.402 124.420 -1.018 25675 8493 1 18 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.255 -0.018 25675 8494 1 18 . 1 1 72 72 ILE C C 72 174.882 174.882 176.041 -1.159 25675 8495 1 18 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.749 -0.321 25675 8496 1 18 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.889 0.962 25675 8497 1 18 . 1 1 72 72 ILE H H 72 8.124 8.124 8.036 0.088 25675 8498 1 18 . 1 1 73 73 LEU N N 73 129.380 129.380 130.609 -1.229 25675 8499 1 18 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.729 0.470 25675 8500 1 18 . 1 1 73 73 LEU C C 73 175.932 175.932 176.803 -0.871 25675 8501 1 18 . 1 1 73 73 LEU CA C 73 54.245 54.245 54.272 -0.027 25675 8502 1 18 . 1 1 73 73 LEU CB C 73 41.882 41.882 39.775 2.107 25675 8503 1 18 . 1 1 73 73 LEU H H 73 9.353 9.353 8.259 1.094 25675 8504 1 18 . 1 1 74 74 HIS N N 74 120.040 120.040 126.794 -6.754 25675 8505 1 18 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.660 -0.049 25675 8506 1 18 . 1 1 74 74 HIS C C 74 172.371 172.371 173.400 -1.029 25675 8507 1 18 . 1 1 74 74 HIS CA C 74 53.825 53.825 55.419 -1.593 25675 8508 1 18 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.543 -1.692 25675 8509 1 18 . 1 1 74 74 HIS H H 74 8.541 8.541 8.716 -0.175 25675 8510 1 18 . 1 1 75 75 ALA N N 75 125.980 125.980 129.619 -3.639 25675 8511 1 18 . 1 1 75 75 ALA HA H 75 1.749 1.749 4.020 -2.271 25675 8512 1 18 . 1 1 75 75 ALA CA C 75 49.937 49.937 49.144 0.793 25675 8513 1 18 . 1 1 75 75 ALA CB C 75 15.948 15.948 18.027 -2.079 25675 8514 1 18 . 1 1 75 75 ALA H H 75 8.413 8.413 8.256 0.157 25675 8515 1 18 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.388 -0.106 25675 8516 1 18 . 1 1 76 76 PRO C C 76 176.185 176.185 176.307 -0.122 25675 8517 1 18 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.902 0.379 25675 8518 1 18 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.541 -0.269 25675 8519 1 18 . 1 1 77 77 ASP N N 77 122.297 122.297 117.171 5.126 25675 8520 1 18 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.461 -0.371 25675 8521 1 18 . 1 1 77 77 ASP C C 77 176.977 176.977 176.796 0.181 25675 8522 1 18 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.532 1.972 25675 8523 1 18 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.424 -0.514 25675 8524 1 18 . 1 1 77 77 ASP H H 77 8.454 8.454 8.392 0.062 25675 8525 1 18 . 1 1 78 78 ALA N N 78 118.586 118.586 121.198 -2.612 25675 8526 1 18 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.351 -0.102 25675 8527 1 18 . 1 1 78 78 ALA C C 78 177.458 177.458 177.624 -0.166 25675 8528 1 18 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.562 0.162 25675 8529 1 18 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.168 -1.422 25675 8530 1 18 . 1 1 78 78 ALA H H 78 8.032 8.032 7.654 0.378 25675 8531 1 18 . 1 1 79 79 GLY N N 79 107.830 107.830 105.313 2.517 25675 8532 1 18 . 1 1 79 79 GLY C C 79 172.928 172.928 174.138 -1.210 25675 8533 1 18 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.330 -0.989 25675 8534 1 18 . 1 1 79 79 GLY H H 79 7.902 7.902 7.366 0.536 25675 8535 1 18 . 1 1 80 80 TRP N N 80 119.474 119.474 123.777 -4.303 25675 8536 1 18 . 1 1 80 80 TRP HA H 80 4.535 4.535 5.077 -0.542 25675 8537 1 18 . 1 1 80 80 TRP C C 80 180.190 180.190 177.611 2.579 25675 8538 1 18 . 1 1 80 80 TRP CA C 80 58.670 58.670 57.929 0.741 25675 8539 1 18 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.546 0.540 25675 8540 1 18 . 1 1 80 80 TRP H H 80 8.389 8.389 8.612 -0.223 25675 8541 1 18 . 1 1 81 81 GLY N N 81 103.130 103.130 105.730 -2.600 25675 8542 1 18 . 1 1 81 81 GLY C C 81 174.110 174.110 172.831 1.279 25675 8543 1 18 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.707 1.172 25675 8544 1 18 . 1 1 81 81 GLY H H 81 8.519 8.519 8.303 0.216 25675 8545 1 18 . 1 1 82 82 ASN N N 82 120.652 120.652 118.421 2.231 25675 8546 1 18 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.352 -0.276 25675 8547 1 18 . 1 1 82 82 ASN C C 82 175.211 175.211 175.301 -0.090 25675 8548 1 18 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.201 -0.216 25675 8549 1 18 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.376 0.281 25675 8550 1 18 . 1 1 82 82 ASN H H 82 8.800 8.800 8.487 0.313 25675 8551 1 18 . 1 1 83 83 LEU N N 83 118.129 118.129 116.870 1.259 25675 8552 1 18 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.863 -0.734 25675 8553 1 18 . 1 1 83 83 LEU C C 83 174.442 174.442 174.583 -0.141 25675 8554 1 18 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.829 0.970 25675 8555 1 18 . 1 1 83 83 LEU CB C 83 41.857 41.857 43.402 -1.545 25675 8556 1 18 . 1 1 83 83 LEU H H 83 6.883 6.883 7.514 -0.631 25675 8557 1 18 . 1 1 84 84 VAL N N 84 118.316 118.316 116.909 1.407 25675 8558 1 18 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.412 -0.357 25675 8559 1 18 . 1 1 84 84 VAL C C 84 174.630 174.630 174.903 -0.273 25675 8560 1 18 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.986 0.457 25675 8561 1 18 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.675 -0.717 25675 8562 1 18 . 1 1 84 84 VAL H H 84 7.835 7.835 7.780 0.055 25675 8563 1 18 . 1 1 85 85 TYR N N 85 128.110 128.110 125.946 2.164 25675 8564 1 18 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.465 -0.768 25675 8565 1 18 . 1 1 85 85 TYR C C 85 174.313 174.313 174.887 -0.574 25675 8566 1 18 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.950 3.171 25675 8567 1 18 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.347 0.193 25675 8568 1 18 . 1 1 85 85 TYR H H 85 8.886 8.886 8.395 0.491 25675 8569 1 18 . 1 1 86 86 VAL N N 86 122.593 122.593 125.190 -2.597 25675 8570 1 18 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.933 0.822 25675 8571 1 18 . 1 1 86 86 VAL C C 86 176.531 176.531 176.086 0.445 25675 8572 1 18 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.324 -0.325 25675 8573 1 18 . 1 1 86 86 VAL CB C 86 33.419 33.419 31.351 2.068 25675 8574 1 18 . 1 1 86 86 VAL H H 86 9.473 9.473 8.002 1.471 25675 8575 1 18 . 1 1 87 87 VAL N N 87 124.298 124.298 124.918 -0.620 25675 8576 1 18 . 1 1 87 87 VAL HA H 87 3.787 3.787 3.987 -0.200 25675 8577 1 18 . 1 1 87 87 VAL C C 87 174.735 174.735 175.302 -0.567 25675 8578 1 18 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.698 1.028 25675 8579 1 18 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.803 0.920 25675 8580 1 18 . 1 1 87 87 VAL H H 87 7.864 7.864 8.030 -0.166 25675 8581 1 18 . 1 1 88 88 ASN N N 88 123.146 123.146 125.716 -2.570 25675 8582 1 18 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.780 -0.006 25675 8583 1 18 . 1 1 88 88 ASN C C 88 172.900 172.900 173.994 -1.094 25675 8584 1 18 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.212 -0.880 25675 8585 1 18 . 1 1 88 88 ASN CB C 88 40.773 40.773 40.797 -0.024 25675 8586 1 18 . 1 1 88 88 ASN H H 88 7.786 7.786 8.085 -0.299 25675 8587 1 19 . 1 1 3 3 GLY C C 3 173.761 173.761 174.950 -1.189 25675 8588 1 19 . 1 1 3 3 GLY CA C 3 45.130 45.130 45.410 -0.280 25675 8589 1 19 . 1 1 4 4 SER N N 4 115.011 115.011 113.303 1.708 25675 8590 1 19 . 1 1 4 4 SER HA H 4 4.304 4.304 4.225 0.079 25675 8591 1 19 . 1 1 4 4 SER C C 4 174.600 174.600 174.562 0.038 25675 8592 1 19 . 1 1 4 4 SER CA C 4 57.900 57.900 59.496 -1.597 25675 8593 1 19 . 1 1 4 4 SER CB C 4 63.800 63.800 63.416 0.384 25675 8594 1 19 . 1 1 4 4 SER H H 4 8.185 8.185 8.225 -0.040 25675 8595 1 19 . 1 1 5 5 HIS N N 5 120.326 120.326 119.815 0.511 25675 8596 1 19 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.436 0.166 25675 8597 1 19 . 1 1 5 5 HIS C C 5 174.200 174.200 174.934 -0.734 25675 8598 1 19 . 1 1 5 5 HIS CA C 5 55.268 55.268 56.596 -1.328 25675 8599 1 19 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.110 -1.110 25675 8600 1 19 . 1 1 5 5 HIS H H 5 8.641 8.641 7.911 0.730 25675 8601 1 19 . 1 1 6 6 HIS N N 6 119.478 119.478 115.778 3.700 25675 8602 1 19 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.005 0.622 25675 8603 1 19 . 1 1 6 6 HIS C C 6 174.100 174.100 174.122 -0.022 25675 8604 1 19 . 1 1 6 6 HIS CA C 6 55.268 55.268 56.810 -1.542 25675 8605 1 19 . 1 1 6 6 HIS CB C 6 29.300 29.300 27.732 1.568 25675 8606 1 19 . 1 1 6 6 HIS H H 6 8.555 8.555 7.825 0.730 25675 8607 1 19 . 1 1 7 7 HIS N N 7 120.507 120.507 117.106 3.401 25675 8608 1 19 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.812 -0.231 25675 8609 1 19 . 1 1 7 7 HIS C C 7 174.100 174.100 174.216 -0.116 25675 8610 1 19 . 1 1 7 7 HIS CA C 7 55.268 55.268 54.821 0.447 25675 8611 1 19 . 1 1 7 7 HIS CB C 7 29.300 29.300 32.674 -3.374 25675 8612 1 19 . 1 1 7 7 HIS H H 7 8.777 8.777 8.064 0.713 25675 8613 1 19 . 1 1 8 8 HIS N N 8 120.616 120.616 123.237 -2.621 25675 8614 1 19 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.439 0.161 25675 8615 1 19 . 1 1 8 8 HIS C C 8 174.200 174.200 174.466 -0.266 25675 8616 1 19 . 1 1 8 8 HIS CA C 8 55.268 55.268 56.715 -1.447 25675 8617 1 19 . 1 1 8 8 HIS CB C 8 29.300 29.300 29.705 -0.405 25675 8618 1 19 . 1 1 8 8 HIS H H 8 8.777 8.777 8.429 0.348 25675 8619 1 19 . 1 1 9 9 HIS N N 9 121.131 121.131 121.323 -0.192 25675 8620 1 19 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.872 -0.292 25675 8621 1 19 . 1 1 9 9 HIS C C 9 173.990 173.990 173.865 0.125 25675 8622 1 19 . 1 1 9 9 HIS CA C 9 55.000 55.000 54.767 0.233 25675 8623 1 19 . 1 1 9 9 HIS CB C 9 29.400 29.400 31.540 -2.140 25675 8624 1 19 . 1 1 9 9 HIS H H 9 8.785 8.785 7.660 1.125 25675 8625 1 19 . 1 1 10 10 HIS N N 10 121.437 121.437 119.404 2.033 25675 8626 1 19 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.899 -0.305 25675 8627 1 19 . 1 1 10 10 HIS C C 10 174.577 174.577 174.884 -0.307 25675 8628 1 19 . 1 1 10 10 HIS CA C 10 55.268 55.268 54.248 1.020 25675 8629 1 19 . 1 1 10 10 HIS CB C 10 28.900 28.900 31.898 -2.998 25675 8630 1 19 . 1 1 10 10 HIS H H 10 8.769 8.769 8.473 0.296 25675 8631 1 19 . 1 1 11 11 GLY N N 11 111.579 111.579 108.458 3.121 25675 8632 1 19 . 1 1 11 11 GLY C C 11 174.184 174.184 174.495 -0.311 25675 8633 1 19 . 1 1 11 11 GLY CA C 11 45.340 45.340 45.374 -0.034 25675 8634 1 19 . 1 1 11 11 GLY H H 11 8.559 8.559 8.620 -0.061 25675 8635 1 19 . 1 1 12 12 SER N N 12 115.987 115.987 117.790 -1.803 25675 8636 1 19 . 1 1 12 12 SER HA H 12 4.407 4.407 4.414 -0.007 25675 8637 1 19 . 1 1 12 12 SER C C 12 174.817 174.817 175.791 -0.974 25675 8638 1 19 . 1 1 12 12 SER CA C 12 58.529 58.529 60.667 -2.138 25675 8639 1 19 . 1 1 12 12 SER CB C 12 63.780 63.780 63.957 -0.177 25675 8640 1 19 . 1 1 12 12 SER H H 12 8.353 8.353 8.602 -0.249 25675 8641 1 19 . 1 1 13 13 MET N N 13 121.805 121.805 115.398 6.407 25675 8642 1 19 . 1 1 13 13 MET HA H 13 4.521 4.521 4.670 -0.149 25675 8643 1 19 . 1 1 13 13 MET C C 13 176.003 176.003 175.745 0.258 25675 8644 1 19 . 1 1 13 13 MET CA C 13 55.503 55.503 55.499 0.004 25675 8645 1 19 . 1 1 13 13 MET CB C 13 32.843 32.843 33.687 -0.844 25675 8646 1 19 . 1 1 13 13 MET H H 13 8.432 8.432 7.871 0.561 25675 8647 1 19 . 1 1 14 14 SER N N 14 116.515 116.515 116.749 -0.234 25675 8648 1 19 . 1 1 14 14 SER HA H 14 4.265 4.265 4.265 0.000 25675 8649 1 19 . 1 1 14 14 SER C C 14 174.055 174.055 174.386 -0.331 25675 8650 1 19 . 1 1 14 14 SER H H 14 8.205 8.205 7.828 0.377 25675 8651 1 19 . 1 1 15 15 GLU N N 15 122.455 122.455 122.383 0.072 25675 8652 1 19 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.635 -0.400 25675 8653 1 19 . 1 1 15 15 GLU C C 15 174.900 174.900 175.498 -0.598 25675 8654 1 19 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.215 0.413 25675 8655 1 19 . 1 1 15 15 GLU CB C 15 30.225 30.225 32.047 -1.822 25675 8656 1 19 . 1 1 15 15 GLU H H 15 8.292 8.292 8.790 -0.498 25675 8657 1 19 . 1 1 16 16 TYR N N 16 118.896 118.896 114.994 3.902 25675 8658 1 19 . 1 1 16 16 TYR HA H 16 5.061 5.061 5.102 -0.041 25675 8659 1 19 . 1 1 16 16 TYR C C 16 174.935 174.935 175.029 -0.094 25675 8660 1 19 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.606 1.106 25675 8661 1 19 . 1 1 16 16 TYR CB C 16 41.507 41.507 40.660 0.847 25675 8662 1 19 . 1 1 16 16 TYR H H 16 7.955 7.955 7.901 0.054 25675 8663 1 19 . 1 1 17 17 ILE N N 17 115.711 115.711 123.098 -7.387 25675 8664 1 19 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.285 0.264 25675 8665 1 19 . 1 1 17 17 ILE C C 17 174.747 174.747 174.208 0.539 25675 8666 1 19 . 1 1 17 17 ILE CA C 17 59.442 59.442 60.047 -0.605 25675 8667 1 19 . 1 1 17 17 ILE CB C 17 40.859 40.859 38.967 1.892 25675 8668 1 19 . 1 1 17 17 ILE H H 17 8.890 8.890 7.935 0.955 25675 8669 1 19 . 1 1 18 18 ARG N N 18 123.175 123.175 129.242 -6.067 25675 8670 1 19 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.341 -0.461 25675 8671 1 19 . 1 1 18 18 ARG C C 18 174.988 174.988 175.218 -0.230 25675 8672 1 19 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.742 1.102 25675 8673 1 19 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.232 0.498 25675 8674 1 19 . 1 1 18 18 ARG H H 18 8.636 8.636 8.322 0.314 25675 8675 1 19 . 1 1 19 19 VAL N N 19 122.554 122.554 119.775 2.779 25675 8676 1 19 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.639 -0.175 25675 8677 1 19 . 1 1 19 19 VAL C C 19 173.984 173.984 174.834 -0.850 25675 8678 1 19 . 1 1 19 19 VAL CA C 19 59.894 59.894 60.145 -0.251 25675 8679 1 19 . 1 1 19 19 VAL CB C 19 35.709 35.709 36.178 -0.469 25675 8680 1 19 . 1 1 19 19 VAL H H 19 8.916 8.916 8.134 0.782 25675 8681 1 19 . 1 1 20 20 THR N N 20 118.638 118.638 115.858 2.780 25675 8682 1 19 . 1 1 20 20 THR HA H 20 5.081 5.081 4.868 0.213 25675 8683 1 19 . 1 1 20 20 THR C C 20 172.312 172.312 174.324 -2.012 25675 8684 1 19 . 1 1 20 20 THR CA C 20 57.731 57.731 59.308 -1.577 25675 8685 1 19 . 1 1 20 20 THR CB C 20 71.835 71.835 71.112 0.723 25675 8686 1 19 . 1 1 20 20 THR H H 20 8.794 8.794 8.127 0.667 25675 8687 1 19 . 1 1 21 21 GLU N N 21 124.307 124.307 123.714 0.593 25675 8688 1 19 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.605 0.569 25675 8689 1 19 . 1 1 21 21 GLU C C 21 175.258 175.258 176.387 -1.129 25675 8690 1 19 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.707 -1.807 25675 8691 1 19 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.307 -1.355 25675 8692 1 19 . 1 1 21 21 GLU H H 21 8.792 8.792 8.924 -0.132 25675 8693 1 19 . 1 1 22 22 ASP N N 22 117.282 117.282 117.185 0.097 25675 8694 1 19 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.717 -0.113 25675 8695 1 19 . 1 1 22 22 ASP C C 22 175.387 175.387 175.504 -0.117 25675 8696 1 19 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.384 0.081 25675 8697 1 19 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.197 -0.322 25675 8698 1 19 . 1 1 22 22 ASP H H 22 7.932 7.932 7.451 0.481 25675 8699 1 19 . 1 1 23 23 GLU N N 23 123.785 123.785 118.620 5.165 25675 8700 1 19 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.041 -0.103 25675 8701 1 19 . 1 1 23 23 GLU C C 23 176.062 176.062 176.941 -0.879 25675 8702 1 19 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.108 1.334 25675 8703 1 19 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.774 -0.338 25675 8704 1 19 . 1 1 23 23 GLU H H 23 9.232 9.232 8.540 0.692 25675 8705 1 19 . 1 1 24 24 ASN N N 24 115.807 115.807 117.232 -1.425 25675 8706 1 19 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.589 0.099 25675 8707 1 19 . 1 1 24 24 ASN C C 24 174.636 174.636 175.433 -0.797 25675 8708 1 19 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.205 -0.307 25675 8709 1 19 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.111 0.792 25675 8710 1 19 . 1 1 24 24 ASN H H 24 8.694 8.694 8.261 0.433 25675 8711 1 19 . 1 1 25 25 ASP N N 25 119.629 119.629 120.012 -0.383 25675 8712 1 19 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.770 0.185 25675 8713 1 19 . 1 1 25 25 ASP C C 25 175.269 175.269 175.201 0.068 25675 8714 1 19 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.176 -0.986 25675 8715 1 19 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.498 -1.706 25675 8716 1 19 . 1 1 25 25 ASP H H 25 7.987 7.987 7.997 -0.010 25675 8717 1 19 . 1 1 26 26 GLU N N 26 123.692 123.692 122.980 0.712 25675 8718 1 19 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.421 0.101 25675 8719 1 19 . 1 1 26 26 GLU CA C 26 54.120 54.120 55.075 -0.955 25675 8720 1 19 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.793 -0.894 25675 8721 1 19 . 1 1 26 26 GLU H H 26 8.718 8.718 8.484 0.234 25675 8722 1 19 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.487 0.242 25675 8723 1 19 . 1 1 27 27 PRO C C 27 176.126 176.126 175.522 0.604 25675 8724 1 19 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.966 -0.615 25675 8725 1 19 . 1 1 27 27 PRO CB C 27 33.519 33.519 32.153 1.366 25675 8726 1 19 . 1 1 28 28 ILE N N 28 118.646 118.646 123.670 -5.024 25675 8727 1 19 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.364 0.110 25675 8728 1 19 . 1 1 28 28 ILE C C 28 175.181 175.181 174.229 0.952 25675 8729 1 19 . 1 1 28 28 ILE CA C 28 59.448 59.448 58.697 0.752 25675 8730 1 19 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.877 -0.251 25675 8731 1 19 . 1 1 28 28 ILE H H 28 9.244 9.244 7.870 1.374 25675 8732 1 19 . 1 1 29 29 GLU N N 29 120.763 120.763 129.774 -9.011 25675 8733 1 19 . 1 1 29 29 GLU HA H 29 4.905 4.905 4.943 -0.038 25675 8734 1 19 . 1 1 29 29 GLU C C 29 175.739 175.739 175.477 0.262 25675 8735 1 19 . 1 1 29 29 GLU CA C 29 55.288 55.288 55.204 0.084 25675 8736 1 19 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.383 -1.343 25675 8737 1 19 . 1 1 29 29 GLU H H 29 8.220 8.220 8.548 -0.328 25675 8738 1 19 . 1 1 30 30 ILE N N 30 124.950 124.950 122.274 2.676 25675 8739 1 19 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.720 0.026 25675 8740 1 19 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.463 -1.749 25675 8741 1 19 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.510 -0.657 25675 8742 1 19 . 1 1 30 30 ILE H H 30 9.307 9.307 8.447 0.860 25675 8743 1 19 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.609 -0.226 25675 8744 1 19 . 1 1 31 31 PRO C C 31 175.768 175.768 176.332 -0.564 25675 8745 1 19 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.857 -0.075 25675 8746 1 19 . 1 1 31 31 PRO CB C 31 32.367 32.367 31.727 0.640 25675 8747 1 19 . 1 1 32 32 SER N N 32 114.522 114.522 117.984 -3.462 25675 8748 1 19 . 1 1 32 32 SER HA H 32 4.567 4.567 4.605 -0.038 25675 8749 1 19 . 1 1 32 32 SER C C 32 175.170 175.170 173.949 1.221 25675 8750 1 19 . 1 1 32 32 SER CA C 32 56.211 56.211 56.451 -0.240 25675 8751 1 19 . 1 1 32 32 SER CB C 32 65.701 65.701 65.670 0.031 25675 8752 1 19 . 1 1 32 32 SER H H 32 7.835 7.835 8.151 -0.316 25675 8753 1 19 . 1 1 33 33 GLU N N 33 118.001 118.001 120.480 -2.479 25675 8754 1 19 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.389 -0.096 25675 8755 1 19 . 1 1 33 33 GLU C C 33 178.843 178.843 177.136 1.707 25675 8756 1 19 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.193 -0.600 25675 8757 1 19 . 1 1 33 33 GLU H H 33 9.229 9.229 8.689 0.540 25675 8758 1 19 . 1 1 34 34 ASP N N 34 122.097 122.097 119.839 2.258 25675 8759 1 19 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.420 -0.148 25675 8760 1 19 . 1 1 34 34 ASP C C 34 175.680 175.680 177.449 -1.769 25675 8761 1 19 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.666 0.297 25675 8762 1 19 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.682 -0.597 25675 8763 1 19 . 1 1 34 34 ASP H H 34 9.067 9.067 8.732 0.335 25675 8764 1 19 . 1 1 35 35 ASP N N 35 115.678 115.678 120.935 -5.257 25675 8765 1 19 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.496 -0.001 25675 8766 1 19 . 1 1 35 35 ASP C C 35 177.470 177.470 176.931 0.539 25675 8767 1 19 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.900 -2.984 25675 8768 1 19 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.846 -1.033 25675 8769 1 19 . 1 1 35 35 ASP H H 35 7.701 7.701 8.490 -0.789 25675 8770 1 19 . 1 1 36 36 GLY N N 36 107.781 107.781 104.628 3.153 25675 8771 1 19 . 1 1 36 36 GLY C C 36 175.387 175.387 174.642 0.745 25675 8772 1 19 . 1 1 36 36 GLY CA C 36 45.526 45.526 44.886 0.640 25675 8773 1 19 . 1 1 36 36 GLY H H 36 8.211 8.211 8.053 0.158 25675 8774 1 19 . 1 1 37 37 THR N N 37 113.224 113.224 112.870 0.354 25675 8775 1 19 . 1 1 37 37 THR HA H 37 4.787 4.787 5.136 -0.349 25675 8776 1 19 . 1 1 37 37 THR C C 37 175.874 175.874 173.578 2.296 25675 8777 1 19 . 1 1 37 37 THR CA C 37 61.569 61.569 60.987 0.582 25675 8778 1 19 . 1 1 37 37 THR CB C 37 71.292 71.292 70.889 0.403 25675 8779 1 19 . 1 1 37 37 THR H H 37 7.890 7.890 7.635 0.255 25675 8780 1 19 . 1 1 38 38 VAL N N 38 117.698 117.698 119.756 -2.058 25675 8781 1 19 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.395 -0.048 25675 8782 1 19 . 1 1 38 38 VAL C C 38 175.187 175.187 174.869 0.318 25675 8783 1 19 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.328 -0.291 25675 8784 1 19 . 1 1 38 38 VAL CB C 38 35.474 35.474 34.764 0.710 25675 8785 1 19 . 1 1 38 38 VAL H H 38 8.382 8.382 8.509 -0.127 25675 8786 1 19 . 1 1 39 39 LEU N N 39 126.182 126.182 127.572 -1.390 25675 8787 1 19 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.249 0.250 25675 8788 1 19 . 1 1 39 39 LEU C C 39 178.655 178.655 177.995 0.660 25675 8789 1 19 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.124 -0.130 25675 8790 1 19 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.351 -1.691 25675 8791 1 19 . 1 1 39 39 LEU H H 39 8.516 8.516 8.322 0.194 25675 8792 1 19 . 1 1 40 40 LEU N N 40 125.652 125.652 123.371 2.281 25675 8793 1 19 . 1 1 40 40 LEU HA H 40 3.973 3.973 3.988 -0.015 25675 8794 1 19 . 1 1 40 40 LEU C C 40 178.620 178.620 178.578 0.042 25675 8795 1 19 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.693 0.563 25675 8796 1 19 . 1 1 40 40 LEU CB C 40 40.998 40.998 42.007 -1.009 25675 8797 1 19 . 1 1 40 40 LEU H H 40 8.666 8.666 8.886 -0.220 25675 8798 1 19 . 1 1 41 41 SER N N 41 112.797 112.797 112.371 0.426 25675 8799 1 19 . 1 1 41 41 SER HA H 41 4.359 4.359 4.222 0.137 25675 8800 1 19 . 1 1 41 41 SER C C 41 176.760 176.760 176.131 0.629 25675 8801 1 19 . 1 1 41 41 SER CA C 41 60.390 60.390 60.808 -0.418 25675 8802 1 19 . 1 1 41 41 SER CB C 41 62.032 62.032 63.148 -1.115 25675 8803 1 19 . 1 1 41 41 SER H H 41 8.758 8.758 8.179 0.579 25675 8804 1 19 . 1 1 42 42 THR N N 42 121.066 121.066 118.836 2.230 25675 8805 1 19 . 1 1 42 42 THR HA H 42 3.993 3.993 4.106 -0.113 25675 8806 1 19 . 1 1 42 42 THR C C 42 176.226 176.226 175.944 0.282 25675 8807 1 19 . 1 1 42 42 THR CA C 42 65.206 65.206 65.484 -0.278 25675 8808 1 19 . 1 1 42 42 THR CB C 42 67.912 67.912 68.968 -1.056 25675 8809 1 19 . 1 1 42 42 THR H H 42 7.461 7.461 7.429 0.032 25675 8810 1 19 . 1 1 43 43 VAL N N 43 120.996 120.996 121.071 -0.075 25675 8811 1 19 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.774 -0.180 25675 8812 1 19 . 1 1 43 43 VAL C C 43 178.796 178.796 177.766 1.030 25675 8813 1 19 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.338 0.470 25675 8814 1 19 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.481 0.359 25675 8815 1 19 . 1 1 43 43 VAL H H 43 7.288 7.288 7.544 -0.256 25675 8816 1 19 . 1 1 44 44 THR N N 44 113.305 113.305 112.109 1.196 25675 8817 1 19 . 1 1 44 44 THR HA H 44 4.202 4.202 4.391 -0.190 25675 8818 1 19 . 1 1 44 44 THR C C 44 176.337 176.337 175.538 0.799 25675 8819 1 19 . 1 1 44 44 THR CA C 44 64.358 64.358 64.137 0.221 25675 8820 1 19 . 1 1 44 44 THR CB C 44 68.969 68.969 68.406 0.563 25675 8821 1 19 . 1 1 44 44 THR H H 44 9.189 9.189 7.758 1.431 25675 8822 1 19 . 1 1 45 45 ALA N N 45 121.618 121.618 124.019 -2.401 25675 8823 1 19 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.120 -0.071 25675 8824 1 19 . 1 1 45 45 ALA C C 45 178.685 178.685 178.866 -0.181 25675 8825 1 19 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.506 0.120 25675 8826 1 19 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.998 -0.721 25675 8827 1 19 . 1 1 45 45 ALA H H 45 7.274 7.274 7.328 -0.054 25675 8828 1 19 . 1 1 46 46 GLN N N 46 112.595 112.595 113.070 -0.475 25675 8829 1 19 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.263 -0.133 25675 8830 1 19 . 1 1 46 46 GLN C C 46 174.823 174.823 175.581 -0.758 25675 8831 1 19 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.563 -0.313 25675 8832 1 19 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.892 -0.972 25675 8833 1 19 . 1 1 46 46 GLN H H 46 6.860 6.860 7.606 -0.746 25675 8834 1 19 . 1 1 47 47 PHE N N 47 118.197 118.197 118.783 -0.586 25675 8835 1 19 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.016 -0.051 25675 8836 1 19 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.829 0.912 25675 8837 1 19 . 1 1 47 47 PHE CB C 47 39.614 39.614 39.037 0.577 25675 8838 1 19 . 1 1 47 47 PHE H H 47 8.344 8.344 7.559 0.785 25675 8839 1 19 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.493 -0.053 25675 8840 1 19 . 1 1 48 48 PRO C C 48 178.626 178.626 177.872 0.754 25675 8841 1 19 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.731 0.609 25675 8842 1 19 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.807 -0.361 25675 8843 1 19 . 1 1 49 49 GLY N N 49 111.697 111.697 111.774 -0.077 25675 8844 1 19 . 1 1 49 49 GLY C C 49 174.307 174.307 174.262 0.045 25675 8845 1 19 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.769 -0.008 25675 8846 1 19 . 1 1 49 49 GLY H H 49 8.849 8.849 8.805 0.044 25675 8847 1 19 . 1 1 50 50 ALA N N 50 122.602 122.602 122.954 -0.352 25675 8848 1 19 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.624 -0.796 25675 8849 1 19 . 1 1 50 50 ALA C C 50 177.534 177.534 176.767 0.767 25675 8850 1 19 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.768 0.638 25675 8851 1 19 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.431 1.958 25675 8852 1 19 . 1 1 50 50 ALA H H 50 8.032 8.032 7.642 0.390 25675 8853 1 19 . 1 1 51 51 CYS N N 51 114.410 114.410 124.448 -10.038 25675 8854 1 19 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.624 -0.079 25675 8855 1 19 . 1 1 51 51 CYS C C 51 174.248 174.248 175.260 -1.012 25675 8856 1 19 . 1 1 51 51 CYS CA C 51 57.407 57.407 60.123 -2.716 25675 8857 1 19 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.683 0.130 25675 8858 1 19 . 1 1 51 51 CYS H H 51 9.094 9.094 8.400 0.694 25675 8859 1 19 . 1 1 52 52 GLY N N 52 106.620 106.620 108.821 -2.201 25675 8860 1 19 . 1 1 52 52 GLY C C 52 170.769 170.769 172.127 -1.358 25675 8861 1 19 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.523 0.438 25675 8862 1 19 . 1 1 52 52 GLY H H 52 7.467 7.467 8.605 -1.138 25675 8863 1 19 . 1 1 53 53 LEU N N 53 117.961 117.961 123.875 -5.914 25675 8864 1 19 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.403 -0.058 25675 8865 1 19 . 1 1 53 53 LEU C C 53 175.563 175.563 176.579 -1.016 25675 8866 1 19 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.308 1.344 25675 8867 1 19 . 1 1 53 53 LEU CB C 53 48.585 48.585 43.859 4.726 25675 8868 1 19 . 1 1 53 53 LEU H H 53 8.900 8.900 8.454 0.446 25675 8869 1 19 . 1 1 54 54 ARG N N 54 119.739 119.739 120.827 -1.088 25675 8870 1 19 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.411 1.200 25675 8871 1 19 . 1 1 54 54 ARG C C 54 173.638 173.638 174.528 -0.890 25675 8872 1 19 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.377 0.070 25675 8873 1 19 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.146 0.392 25675 8874 1 19 . 1 1 54 54 ARG H H 54 9.493 9.493 8.382 1.111 25675 8875 1 19 . 1 1 55 55 TYR N N 55 115.879 115.879 119.085 -3.206 25675 8876 1 19 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.695 0.093 25675 8877 1 19 . 1 1 55 55 TYR C C 55 172.417 172.417 175.139 -2.722 25675 8878 1 19 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.837 -1.845 25675 8879 1 19 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.133 0.967 25675 8880 1 19 . 1 1 55 55 TYR H H 55 8.972 8.972 8.126 0.846 25675 8881 1 19 . 1 1 56 56 ARG N N 56 121.380 121.380 124.333 -2.953 25675 8882 1 19 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.754 -0.471 25675 8883 1 19 . 1 1 56 56 ARG C C 56 175.598 175.598 174.002 1.596 25675 8884 1 19 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.627 0.541 25675 8885 1 19 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.850 -2.097 25675 8886 1 19 . 1 1 56 56 ARG H H 56 8.883 8.883 8.512 0.371 25675 8887 1 19 . 1 1 57 57 ASN N N 57 127.980 127.980 125.695 2.285 25675 8888 1 19 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.277 -0.469 25675 8889 1 19 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.425 0.830 25675 8890 1 19 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.249 -1.508 25675 8891 1 19 . 1 1 57 57 ASN H H 57 8.428 8.428 8.758 -0.330 25675 8892 1 19 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.426 -0.133 25675 8893 1 19 . 1 1 58 58 PRO C C 58 177.241 177.241 176.982 0.259 25675 8894 1 19 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.882 -0.290 25675 8895 1 19 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.813 0.475 25675 8896 1 19 . 1 1 59 59 VAL N N 59 117.104 117.104 114.105 2.999 25675 8897 1 19 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.225 -0.316 25675 8898 1 19 . 1 1 59 59 VAL C C 59 177.077 177.077 177.286 -0.209 25675 8899 1 19 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.344 0.378 25675 8900 1 19 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.888 0.073 25675 8901 1 19 . 1 1 59 59 VAL H H 59 7.965 7.965 7.859 0.106 25675 8902 1 19 . 1 1 60 60 SER N N 60 113.119 113.119 115.176 -2.057 25675 8903 1 19 . 1 1 60 60 SER HA H 60 4.427 4.427 4.494 -0.067 25675 8904 1 19 . 1 1 60 60 SER C C 60 175.252 175.252 174.227 1.025 25675 8905 1 19 . 1 1 60 60 SER CA C 60 58.314 58.314 59.139 -0.825 25675 8906 1 19 . 1 1 60 60 SER CB C 60 65.134 65.134 63.470 1.664 25675 8907 1 19 . 1 1 60 60 SER H H 60 7.691 7.691 7.690 0.001 25675 8908 1 19 . 1 1 61 61 GLN N N 61 115.138 115.138 117.225 -2.087 25675 8909 1 19 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.954 -0.094 25675 8910 1 19 . 1 1 61 61 GLN C C 61 174.882 174.882 175.267 -0.385 25675 8911 1 19 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.143 0.193 25675 8912 1 19 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.576 -0.576 25675 8913 1 19 . 1 1 61 61 GLN H H 61 8.309 8.309 8.240 0.069 25675 8914 1 19 . 1 1 62 62 CYS N N 62 116.568 116.568 117.545 -0.977 25675 8915 1 19 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.518 0.014 25675 8916 1 19 . 1 1 62 62 CYS C C 62 174.242 174.242 174.385 -0.143 25675 8917 1 19 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.661 -0.577 25675 8918 1 19 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.944 -0.688 25675 8919 1 19 . 1 1 62 62 CYS H H 62 7.664 7.664 7.734 -0.070 25675 8920 1 19 . 1 1 63 63 MET N N 63 122.627 122.627 121.079 1.548 25675 8921 1 19 . 1 1 63 63 MET HA H 63 4.095 4.095 4.684 -0.589 25675 8922 1 19 . 1 1 63 63 MET C C 63 176.437 176.437 175.047 1.390 25675 8923 1 19 . 1 1 63 63 MET CA C 63 54.992 54.992 54.878 0.114 25675 8924 1 19 . 1 1 63 63 MET CB C 63 32.828 32.828 32.397 0.431 25675 8925 1 19 . 1 1 63 63 MET H H 63 8.733 8.733 8.445 0.288 25675 8926 1 19 . 1 1 64 64 ARG N N 64 124.300 124.300 120.443 3.857 25675 8927 1 19 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.603 -0.136 25675 8928 1 19 . 1 1 64 64 ARG C C 64 174.618 174.618 175.419 -0.801 25675 8929 1 19 . 1 1 64 64 ARG CA C 64 53.788 53.788 55.943 -2.155 25675 8930 1 19 . 1 1 64 64 ARG CB C 64 33.535 33.535 32.531 1.004 25675 8931 1 19 . 1 1 64 64 ARG H H 64 8.995 8.995 8.183 0.812 25675 8932 1 19 . 1 1 65 65 GLY N N 65 122.716 122.716 107.269 15.447 25675 8933 1 19 . 1 1 65 65 GLY C C 65 174.589 174.589 173.516 1.073 25675 8934 1 19 . 1 1 65 65 GLY H H 65 8.474 8.474 8.360 0.114 25675 8935 1 19 . 1 1 66 66 VAL N N 66 124.050 124.050 121.362 2.688 25675 8936 1 19 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.655 0.540 25675 8937 1 19 . 1 1 66 66 VAL C C 66 176.220 176.220 175.891 0.329 25675 8938 1 19 . 1 1 66 66 VAL CA C 66 62.477 62.477 62.816 -0.339 25675 8939 1 19 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.574 1.103 25675 8940 1 19 . 1 1 66 66 VAL H H 66 8.313 8.313 7.616 0.697 25675 8941 1 19 . 1 1 67 67 ARG N N 67 131.490 131.490 128.368 3.122 25675 8942 1 19 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.534 -0.486 25675 8943 1 19 . 1 1 67 67 ARG C C 67 173.497 173.497 174.469 -0.972 25675 8944 1 19 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.028 3.348 25675 8945 1 19 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.728 -0.796 25675 8946 1 19 . 1 1 67 67 ARG H H 67 9.314 9.314 7.935 1.379 25675 8947 1 19 . 1 1 68 68 LEU N N 68 130.230 130.230 126.976 3.254 25675 8948 1 19 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.656 0.548 25675 8949 1 19 . 1 1 68 68 LEU C C 68 175.950 175.950 174.942 1.008 25675 8950 1 19 . 1 1 68 68 LEU CA C 68 53.814 53.814 53.908 -0.094 25675 8951 1 19 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.678 0.415 25675 8952 1 19 . 1 1 68 68 LEU H H 68 8.299 8.299 8.584 -0.285 25675 8953 1 19 . 1 1 69 69 VAL N N 69 127.090 127.090 126.647 0.443 25675 8954 1 19 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.408 -0.081 25675 8955 1 19 . 1 1 69 69 VAL C C 69 176.155 176.155 175.171 0.984 25675 8956 1 19 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.250 0.104 25675 8957 1 19 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.298 0.807 25675 8958 1 19 . 1 1 69 69 VAL H H 69 9.044 9.044 8.556 0.488 25675 8959 1 19 . 1 1 70 70 GLU N N 70 128.672 128.672 125.648 3.024 25675 8960 1 19 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.956 -0.040 25675 8961 1 19 . 1 1 70 70 GLU C C 70 175.891 175.891 176.300 -0.409 25675 8962 1 19 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.390 -0.560 25675 8963 1 19 . 1 1 70 70 GLU CB C 70 27.190 27.190 28.331 -1.141 25675 8964 1 19 . 1 1 70 70 GLU H H 70 9.646 9.646 9.210 0.436 25675 8965 1 19 . 1 1 71 71 GLY N N 71 117.967 117.967 102.386 15.581 25675 8966 1 19 . 1 1 71 71 GLY C C 71 173.327 173.327 173.742 -0.415 25675 8967 1 19 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.423 0.625 25675 8968 1 19 . 1 1 71 71 GLY H H 71 8.417 8.417 8.176 0.241 25675 8969 1 19 . 1 1 72 72 ILE N N 72 123.402 123.402 123.155 0.247 25675 8970 1 19 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.342 -0.105 25675 8971 1 19 . 1 1 72 72 ILE C C 72 174.882 174.882 175.891 -1.009 25675 8972 1 19 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.971 -0.542 25675 8973 1 19 . 1 1 72 72 ILE CB C 72 38.851 38.851 38.151 0.701 25675 8974 1 19 . 1 1 72 72 ILE H H 72 8.124 8.124 7.689 0.435 25675 8975 1 19 . 1 1 73 73 LEU N N 73 129.380 129.380 129.535 -0.155 25675 8976 1 19 . 1 1 73 73 LEU HA H 73 5.199 5.199 5.008 0.191 25675 8977 1 19 . 1 1 73 73 LEU C C 73 175.932 175.932 176.888 -0.956 25675 8978 1 19 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.736 0.509 25675 8979 1 19 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.338 1.544 25675 8980 1 19 . 1 1 73 73 LEU H H 73 9.353 9.353 8.930 0.423 25675 8981 1 19 . 1 1 74 74 HIS N N 74 120.040 120.040 126.749 -6.709 25675 8982 1 19 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.730 -0.119 25675 8983 1 19 . 1 1 74 74 HIS C C 74 172.371 172.371 173.102 -0.731 25675 8984 1 19 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.577 -0.752 25675 8985 1 19 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.310 -1.459 25675 8986 1 19 . 1 1 74 74 HIS H H 74 8.541 8.541 8.960 -0.419 25675 8987 1 19 . 1 1 75 75 ALA N N 75 125.980 125.980 129.199 -3.219 25675 8988 1 19 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.963 -2.214 25675 8989 1 19 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.650 1.287 25675 8990 1 19 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.749 -1.801 25675 8991 1 19 . 1 1 75 75 ALA H H 75 8.413 8.413 8.189 0.224 25675 8992 1 19 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.186 0.096 25675 8993 1 19 . 1 1 76 76 PRO C C 76 176.185 176.185 176.096 0.089 25675 8994 1 19 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.740 0.541 25675 8995 1 19 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.253 0.019 25675 8996 1 19 . 1 1 77 77 ASP N N 77 122.297 122.297 116.921 5.376 25675 8997 1 19 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.416 -0.326 25675 8998 1 19 . 1 1 77 77 ASP C C 77 176.977 176.977 176.699 0.278 25675 8999 1 19 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.597 1.907 25675 9000 1 19 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.289 -0.379 25675 9001 1 19 . 1 1 77 77 ASP H H 77 8.454 8.454 8.336 0.118 25675 9002 1 19 . 1 1 78 78 ALA N N 78 118.586 118.586 121.264 -2.678 25675 9003 1 19 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.312 -0.063 25675 9004 1 19 . 1 1 78 78 ALA C C 78 177.458 177.458 177.674 -0.216 25675 9005 1 19 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.498 0.226 25675 9006 1 19 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.116 -1.370 25675 9007 1 19 . 1 1 78 78 ALA H H 78 8.032 8.032 7.584 0.448 25675 9008 1 19 . 1 1 79 79 GLY N N 79 107.830 107.830 105.834 1.996 25675 9009 1 19 . 1 1 79 79 GLY C C 79 172.928 172.928 173.724 -0.796 25675 9010 1 19 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.203 -0.862 25675 9011 1 19 . 1 1 79 79 GLY H H 79 7.902 7.902 7.331 0.571 25675 9012 1 19 . 1 1 80 80 TRP N N 80 119.474 119.474 122.689 -3.215 25675 9013 1 19 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.704 -0.169 25675 9014 1 19 . 1 1 80 80 TRP C C 80 180.190 180.190 177.132 3.058 25675 9015 1 19 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.140 0.530 25675 9016 1 19 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.307 0.779 25675 9017 1 19 . 1 1 80 80 TRP H H 80 8.389 8.389 8.315 0.074 25675 9018 1 19 . 1 1 81 81 GLY N N 81 103.130 103.130 104.449 -1.319 25675 9019 1 19 . 1 1 81 81 GLY C C 81 174.110 174.110 172.985 1.125 25675 9020 1 19 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.801 1.078 25675 9021 1 19 . 1 1 81 81 GLY H H 81 8.519 8.519 8.500 0.019 25675 9022 1 19 . 1 1 82 82 ASN N N 82 120.652 120.652 118.712 1.940 25675 9023 1 19 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.426 -0.350 25675 9024 1 19 . 1 1 82 82 ASN C C 82 175.211 175.211 175.154 0.057 25675 9025 1 19 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.304 -0.319 25675 9026 1 19 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.337 0.320 25675 9027 1 19 . 1 1 82 82 ASN H H 82 8.800 8.800 8.561 0.239 25675 9028 1 19 . 1 1 83 83 LEU N N 83 118.129 118.129 116.200 1.929 25675 9029 1 19 . 1 1 83 83 LEU HA H 83 4.129 4.129 5.065 -0.936 25675 9030 1 19 . 1 1 83 83 LEU C C 83 174.442 174.442 175.719 -1.277 25675 9031 1 19 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.257 1.542 25675 9032 1 19 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.766 -0.909 25675 9033 1 19 . 1 1 83 83 LEU H H 83 6.883 6.883 7.666 -0.783 25675 9034 1 19 . 1 1 84 84 VAL N N 84 118.316 118.316 118.148 0.168 25675 9035 1 19 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.413 -0.358 25675 9036 1 19 . 1 1 84 84 VAL C C 84 174.630 174.630 174.079 0.551 25675 9037 1 19 . 1 1 84 84 VAL CA C 84 62.443 62.443 60.922 1.522 25675 9038 1 19 . 1 1 84 84 VAL CB C 84 31.958 31.958 34.135 -2.177 25675 9039 1 19 . 1 1 84 84 VAL H H 84 7.835 7.835 7.718 0.117 25675 9040 1 19 . 1 1 85 85 TYR N N 85 128.110 128.110 126.566 1.544 25675 9041 1 19 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.407 -0.710 25675 9042 1 19 . 1 1 85 85 TYR C C 85 174.313 174.313 173.776 0.537 25675 9043 1 19 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.351 3.770 25675 9044 1 19 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.974 -0.434 25675 9045 1 19 . 1 1 85 85 TYR H H 85 8.886 8.886 8.940 -0.054 25675 9046 1 19 . 1 1 86 86 VAL N N 86 122.593 122.593 122.862 -0.269 25675 9047 1 19 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.972 0.783 25675 9048 1 19 . 1 1 86 86 VAL C C 86 176.531 176.531 176.026 0.505 25675 9049 1 19 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.626 -0.627 25675 9050 1 19 . 1 1 86 86 VAL CB C 86 33.419 33.419 33.124 0.295 25675 9051 1 19 . 1 1 86 86 VAL H H 86 9.473 9.473 7.748 1.725 25675 9052 1 19 . 1 1 87 87 VAL N N 87 124.298 124.298 123.471 0.827 25675 9053 1 19 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.139 -0.352 25675 9054 1 19 . 1 1 87 87 VAL C C 87 174.735 174.735 174.667 0.068 25675 9055 1 19 . 1 1 87 87 VAL CA C 87 63.726 63.726 61.952 1.774 25675 9056 1 19 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.279 0.444 25675 9057 1 19 . 1 1 87 87 VAL H H 87 7.864 7.864 8.150 -0.286 25675 9058 1 19 . 1 1 88 88 ASN N N 88 123.146 123.146 126.158 -3.012 25675 9059 1 19 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.758 0.016 25675 9060 1 19 . 1 1 88 88 ASN C C 88 172.900 172.900 172.843 0.057 25675 9061 1 19 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.403 -1.071 25675 9062 1 19 . 1 1 88 88 ASN CB C 88 40.773 40.773 42.050 -1.277 25675 9063 1 19 . 1 1 88 88 ASN H H 88 7.786 7.786 8.159 -0.373 25675 9064 1 20 . 1 1 3 3 GLY C C 3 173.761 173.761 174.618 -0.857 25675 9065 1 20 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.732 0.398 25675 9066 1 20 . 1 1 4 4 SER N N 4 115.011 115.011 116.696 -1.685 25675 9067 1 20 . 1 1 4 4 SER HA H 4 4.304 4.304 4.664 -0.360 25675 9068 1 20 . 1 1 4 4 SER C C 4 174.600 174.600 174.009 0.591 25675 9069 1 20 . 1 1 4 4 SER CA C 4 57.900 57.900 58.270 -0.370 25675 9070 1 20 . 1 1 4 4 SER CB C 4 63.800 63.800 63.952 -0.152 25675 9071 1 20 . 1 1 4 4 SER H H 4 8.185 8.185 8.257 -0.072 25675 9072 1 20 . 1 1 5 5 HIS N N 5 120.326 120.326 125.210 -4.884 25675 9073 1 20 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.672 -0.070 25675 9074 1 20 . 1 1 5 5 HIS C C 5 174.200 174.200 174.597 -0.397 25675 9075 1 20 . 1 1 5 5 HIS CA C 5 55.268 55.268 55.664 -0.396 25675 9076 1 20 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.512 -1.512 25675 9077 1 20 . 1 1 5 5 HIS H H 5 8.641 8.641 8.731 -0.090 25675 9078 1 20 . 1 1 6 6 HIS N N 6 119.478 119.478 118.576 0.902 25675 9079 1 20 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.814 -0.187 25675 9080 1 20 . 1 1 6 6 HIS C C 6 174.100 174.100 174.939 -0.839 25675 9081 1 20 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.643 -0.375 25675 9082 1 20 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.944 -1.644 25675 9083 1 20 . 1 1 6 6 HIS H H 6 8.555 8.555 7.813 0.742 25675 9084 1 20 . 1 1 7 7 HIS N N 7 120.507 120.507 122.592 -2.085 25675 9085 1 20 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.775 -0.194 25675 9086 1 20 . 1 1 7 7 HIS C C 7 174.100 174.100 174.633 -0.533 25675 9087 1 20 . 1 1 7 7 HIS CA C 7 55.268 55.268 55.081 0.187 25675 9088 1 20 . 1 1 7 7 HIS CB C 7 29.300 29.300 31.729 -2.429 25675 9089 1 20 . 1 1 7 7 HIS H H 7 8.777 8.777 8.137 0.640 25675 9090 1 20 . 1 1 8 8 HIS N N 8 120.616 120.616 117.599 3.017 25675 9091 1 20 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.756 -0.156 25675 9092 1 20 . 1 1 8 8 HIS C C 8 174.200 174.200 175.647 -1.447 25675 9093 1 20 . 1 1 8 8 HIS CA C 8 55.268 55.268 55.801 -0.533 25675 9094 1 20 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.490 -1.190 25675 9095 1 20 . 1 1 8 8 HIS H H 8 8.777 8.777 8.578 0.199 25675 9096 1 20 . 1 1 9 9 HIS N N 9 121.131 121.131 123.357 -2.226 25675 9097 1 20 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.731 -0.151 25675 9098 1 20 . 1 1 9 9 HIS C C 9 173.990 173.990 174.985 -0.995 25675 9099 1 20 . 1 1 9 9 HIS CA C 9 55.000 55.000 55.273 -0.272 25675 9100 1 20 . 1 1 9 9 HIS CB C 9 29.400 29.400 29.842 -0.442 25675 9101 1 20 . 1 1 9 9 HIS H H 9 8.785 8.785 8.762 0.023 25675 9102 1 20 . 1 1 10 10 HIS N N 10 121.437 121.437 118.933 2.504 25675 9103 1 20 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.505 0.089 25675 9104 1 20 . 1 1 10 10 HIS C C 10 174.577 174.577 176.457 -1.880 25675 9105 1 20 . 1 1 10 10 HIS CA C 10 55.268 55.268 57.427 -2.159 25675 9106 1 20 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.113 -1.213 25675 9107 1 20 . 1 1 10 10 HIS H H 10 8.769 8.769 8.197 0.572 25675 9108 1 20 . 1 1 11 11 GLY N N 11 111.579 111.579 107.943 3.636 25675 9109 1 20 . 1 1 11 11 GLY C C 11 174.184 174.184 173.627 0.557 25675 9110 1 20 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.642 0.698 25675 9111 1 20 . 1 1 11 11 GLY H H 11 8.559 8.559 8.452 0.107 25675 9112 1 20 . 1 1 12 12 SER N N 12 115.987 115.987 113.337 2.650 25675 9113 1 20 . 1 1 12 12 SER HA H 12 4.407 4.407 4.583 -0.176 25675 9114 1 20 . 1 1 12 12 SER C C 12 174.817 174.817 174.217 0.600 25675 9115 1 20 . 1 1 12 12 SER CA C 12 58.529 58.529 57.652 0.877 25675 9116 1 20 . 1 1 12 12 SER CB C 12 63.780 63.780 65.211 -1.431 25675 9117 1 20 . 1 1 12 12 SER H H 12 8.353 8.353 8.235 0.118 25675 9118 1 20 . 1 1 13 13 MET N N 13 121.805 121.805 121.581 0.224 25675 9119 1 20 . 1 1 13 13 MET HA H 13 4.521 4.521 4.517 0.004 25675 9120 1 20 . 1 1 13 13 MET C C 13 176.003 176.003 176.330 -0.327 25675 9121 1 20 . 1 1 13 13 MET CA C 13 55.503 55.503 54.928 0.575 25675 9122 1 20 . 1 1 13 13 MET CB C 13 32.843 32.843 33.895 -1.052 25675 9123 1 20 . 1 1 13 13 MET H H 13 8.432 8.432 8.339 0.093 25675 9124 1 20 . 1 1 14 14 SER N N 14 116.515 116.515 119.763 -3.248 25675 9125 1 20 . 1 1 14 14 SER HA H 14 4.265 4.265 4.355 -0.090 25675 9126 1 20 . 1 1 14 14 SER C C 14 174.055 174.055 174.306 -0.251 25675 9127 1 20 . 1 1 14 14 SER H H 14 8.205 8.205 8.501 -0.296 25675 9128 1 20 . 1 1 15 15 GLU N N 15 122.455 122.455 125.142 -2.687 25675 9129 1 20 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.617 -0.382 25675 9130 1 20 . 1 1 15 15 GLU C C 15 174.900 174.900 175.246 -0.346 25675 9131 1 20 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.364 0.264 25675 9132 1 20 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.894 -1.669 25675 9133 1 20 . 1 1 15 15 GLU H H 15 8.292 8.292 8.811 -0.519 25675 9134 1 20 . 1 1 16 16 TYR N N 16 118.896 118.896 114.937 3.959 25675 9135 1 20 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.956 0.105 25675 9136 1 20 . 1 1 16 16 TYR C C 16 174.935 174.935 174.651 0.284 25675 9137 1 20 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.536 1.176 25675 9138 1 20 . 1 1 16 16 TYR CB C 16 41.507 41.507 41.031 0.476 25675 9139 1 20 . 1 1 16 16 TYR H H 16 7.955 7.955 7.759 0.196 25675 9140 1 20 . 1 1 17 17 ILE N N 17 115.711 115.711 121.150 -5.439 25675 9141 1 20 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.434 0.115 25675 9142 1 20 . 1 1 17 17 ILE C C 17 174.747 174.747 173.922 0.825 25675 9143 1 20 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.949 -0.507 25675 9144 1 20 . 1 1 17 17 ILE CB C 17 40.859 40.859 40.165 0.694 25675 9145 1 20 . 1 1 17 17 ILE H H 17 8.890 8.890 8.034 0.856 25675 9146 1 20 . 1 1 18 18 ARG N N 18 123.175 123.175 129.309 -6.134 25675 9147 1 20 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.451 -0.571 25675 9148 1 20 . 1 1 18 18 ARG C C 18 174.988 174.988 174.931 0.057 25675 9149 1 20 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.664 1.180 25675 9150 1 20 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.583 0.147 25675 9151 1 20 . 1 1 18 18 ARG H H 18 8.636 8.636 8.438 0.198 25675 9152 1 20 . 1 1 19 19 VAL N N 19 122.554 122.554 120.989 1.565 25675 9153 1 20 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.740 -0.276 25675 9154 1 20 . 1 1 19 19 VAL C C 19 173.984 173.984 174.821 -0.837 25675 9155 1 20 . 1 1 19 19 VAL CA C 19 59.894 59.894 58.914 0.980 25675 9156 1 20 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.483 0.226 25675 9157 1 20 . 1 1 19 19 VAL H H 19 8.916 8.916 8.237 0.679 25675 9158 1 20 . 1 1 20 20 THR N N 20 118.638 118.638 115.327 3.311 25675 9159 1 20 . 1 1 20 20 THR HA H 20 5.081 5.081 4.887 0.194 25675 9160 1 20 . 1 1 20 20 THR C C 20 172.312 172.312 174.997 -2.685 25675 9161 1 20 . 1 1 20 20 THR CA C 20 57.731 57.731 59.546 -1.815 25675 9162 1 20 . 1 1 20 20 THR CB C 20 71.835 71.835 71.670 0.165 25675 9163 1 20 . 1 1 20 20 THR H H 20 8.794 8.794 8.141 0.653 25675 9164 1 20 . 1 1 21 21 GLU N N 21 124.307 124.307 124.380 -0.073 25675 9165 1 20 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.180 0.994 25675 9166 1 20 . 1 1 21 21 GLU C C 21 175.258 175.258 175.569 -0.311 25675 9167 1 20 . 1 1 21 21 GLU CA C 21 56.900 56.900 59.005 -2.105 25675 9168 1 20 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.160 -1.208 25675 9169 1 20 . 1 1 21 21 GLU H H 21 8.792 8.792 8.896 -0.104 25675 9170 1 20 . 1 1 22 22 ASP N N 22 117.282 117.282 114.453 2.829 25675 9171 1 20 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.692 -0.088 25675 9172 1 20 . 1 1 22 22 ASP C C 22 175.387 175.387 175.184 0.203 25675 9173 1 20 . 1 1 22 22 ASP CA C 22 53.465 53.465 52.458 1.007 25675 9174 1 20 . 1 1 22 22 ASP CB C 22 42.875 42.875 42.922 -0.047 25675 9175 1 20 . 1 1 22 22 ASP H H 22 7.932 7.932 7.633 0.299 25675 9176 1 20 . 1 1 23 23 GLU N N 23 123.785 123.785 117.025 6.760 25675 9177 1 20 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.156 -0.218 25675 9178 1 20 . 1 1 23 23 GLU C C 23 176.062 176.062 177.400 -1.338 25675 9179 1 20 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.290 1.152 25675 9180 1 20 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.933 -0.497 25675 9181 1 20 . 1 1 23 23 GLU H H 23 9.232 9.232 8.560 0.672 25675 9182 1 20 . 1 1 24 24 ASN N N 24 115.807 115.807 116.525 -0.718 25675 9183 1 20 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.584 0.104 25675 9184 1 20 . 1 1 24 24 ASN C C 24 174.636 174.636 175.047 -0.411 25675 9185 1 20 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.286 -0.388 25675 9186 1 20 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.843 0.060 25675 9187 1 20 . 1 1 24 24 ASN H H 24 8.694 8.694 8.092 0.602 25675 9188 1 20 . 1 1 25 25 ASP N N 25 119.629 119.629 119.856 -0.227 25675 9189 1 20 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.784 0.171 25675 9190 1 20 . 1 1 25 25 ASP C C 25 175.269 175.269 175.359 -0.090 25675 9191 1 20 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.270 -1.080 25675 9192 1 20 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.328 -1.536 25675 9193 1 20 . 1 1 25 25 ASP H H 25 7.987 7.987 7.734 0.253 25675 9194 1 20 . 1 1 26 26 GLU N N 26 123.692 123.692 123.024 0.668 25675 9195 1 20 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.254 0.268 25675 9196 1 20 . 1 1 26 26 GLU CA C 26 54.120 54.120 55.960 -1.840 25675 9197 1 20 . 1 1 26 26 GLU CB C 26 28.899 28.899 29.799 -0.900 25675 9198 1 20 . 1 1 26 26 GLU H H 26 8.718 8.718 8.477 0.241 25675 9199 1 20 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.480 0.249 25675 9200 1 20 . 1 1 27 27 PRO C C 27 176.126 176.126 175.467 0.659 25675 9201 1 20 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.904 -0.553 25675 9202 1 20 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.988 1.530 25675 9203 1 20 . 1 1 28 28 ILE N N 28 118.646 118.646 124.735 -6.089 25675 9204 1 20 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.385 0.089 25675 9205 1 20 . 1 1 28 28 ILE C C 28 175.181 175.181 173.779 1.402 25675 9206 1 20 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.025 0.423 25675 9207 1 20 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.674 -0.048 25675 9208 1 20 . 1 1 28 28 ILE H H 28 9.244 9.244 7.900 1.344 25675 9209 1 20 . 1 1 29 29 GLU N N 29 120.763 120.763 127.477 -6.714 25675 9210 1 20 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.085 -0.180 25675 9211 1 20 . 1 1 29 29 GLU C C 29 175.739 175.739 175.690 0.049 25675 9212 1 20 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.774 0.514 25675 9213 1 20 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.121 -1.081 25675 9214 1 20 . 1 1 29 29 GLU H H 29 8.220 8.220 8.388 -0.168 25675 9215 1 20 . 1 1 30 30 ILE N N 30 124.950 124.950 118.615 6.335 25675 9216 1 20 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.739 0.007 25675 9217 1 20 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.444 -1.730 25675 9218 1 20 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.692 -0.839 25675 9219 1 20 . 1 1 30 30 ILE H H 30 9.307 9.307 8.502 0.805 25675 9220 1 20 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.551 -0.168 25675 9221 1 20 . 1 1 31 31 PRO C C 31 175.768 175.768 175.950 -0.182 25675 9222 1 20 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.913 -0.131 25675 9223 1 20 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.008 0.359 25675 9224 1 20 . 1 1 32 32 SER N N 32 114.522 114.522 117.437 -2.915 25675 9225 1 20 . 1 1 32 32 SER HA H 32 4.567 4.567 4.551 0.016 25675 9226 1 20 . 1 1 32 32 SER C C 32 175.170 175.170 173.406 1.764 25675 9227 1 20 . 1 1 32 32 SER CA C 32 56.211 56.211 56.045 0.166 25675 9228 1 20 . 1 1 32 32 SER CB C 32 65.701 65.701 65.672 0.029 25675 9229 1 20 . 1 1 32 32 SER H H 32 7.835 7.835 8.283 -0.448 25675 9230 1 20 . 1 1 33 33 GLU N N 33 118.001 118.001 120.998 -2.997 25675 9231 1 20 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.460 -0.167 25675 9232 1 20 . 1 1 33 33 GLU C C 33 178.843 178.843 177.812 1.031 25675 9233 1 20 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.298 -0.705 25675 9234 1 20 . 1 1 33 33 GLU H H 33 9.229 9.229 8.669 0.560 25675 9235 1 20 . 1 1 34 34 ASP N N 34 122.097 122.097 122.376 -0.279 25675 9236 1 20 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.431 -0.159 25675 9237 1 20 . 1 1 34 34 ASP C C 34 175.680 175.680 177.151 -1.471 25675 9238 1 20 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.904 0.058 25675 9239 1 20 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.941 -0.855 25675 9240 1 20 . 1 1 34 34 ASP H H 34 9.067 9.067 8.818 0.249 25675 9241 1 20 . 1 1 35 35 ASP N N 35 115.678 115.678 117.801 -2.123 25675 9242 1 20 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.481 0.014 25675 9243 1 20 . 1 1 35 35 ASP C C 35 177.470 177.470 177.182 0.288 25675 9244 1 20 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.576 -2.660 25675 9245 1 20 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.771 -0.958 25675 9246 1 20 . 1 1 35 35 ASP H H 35 7.701 7.701 8.528 -0.827 25675 9247 1 20 . 1 1 36 36 GLY N N 36 107.781 107.781 107.001 0.780 25675 9248 1 20 . 1 1 36 36 GLY C C 36 175.387 175.387 174.036 1.351 25675 9249 1 20 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.213 0.313 25675 9250 1 20 . 1 1 36 36 GLY H H 36 8.211 8.211 7.736 0.475 25675 9251 1 20 . 1 1 37 37 THR N N 37 113.224 113.224 112.373 0.851 25675 9252 1 20 . 1 1 37 37 THR HA H 37 4.787 4.787 5.031 -0.244 25675 9253 1 20 . 1 1 37 37 THR C C 37 175.874 175.874 173.638 2.236 25675 9254 1 20 . 1 1 37 37 THR CA C 37 61.569 61.569 60.915 0.654 25675 9255 1 20 . 1 1 37 37 THR CB C 37 71.292 71.292 71.502 -0.210 25675 9256 1 20 . 1 1 37 37 THR H H 37 7.890 7.890 7.623 0.267 25675 9257 1 20 . 1 1 38 38 VAL N N 38 117.698 117.698 119.711 -2.013 25675 9258 1 20 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.450 -0.103 25675 9259 1 20 . 1 1 38 38 VAL C C 38 175.187 175.187 174.571 0.616 25675 9260 1 20 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.258 -0.221 25675 9261 1 20 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.328 0.145 25675 9262 1 20 . 1 1 38 38 VAL H H 38 8.382 8.382 8.491 -0.108 25675 9263 1 20 . 1 1 39 39 LEU N N 39 126.182 126.182 126.808 -0.626 25675 9264 1 20 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.262 0.237 25675 9265 1 20 . 1 1 39 39 LEU C C 39 178.655 178.655 177.819 0.836 25675 9266 1 20 . 1 1 39 39 LEU CA C 39 54.994 54.994 54.984 0.010 25675 9267 1 20 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.528 -1.868 25675 9268 1 20 . 1 1 39 39 LEU H H 39 8.516 8.516 8.590 -0.074 25675 9269 1 20 . 1 1 40 40 LEU N N 40 125.652 125.652 123.950 1.702 25675 9270 1 20 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.038 -0.065 25675 9271 1 20 . 1 1 40 40 LEU C C 40 178.620 178.620 178.703 -0.083 25675 9272 1 20 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.393 0.863 25675 9273 1 20 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.605 -0.607 25675 9274 1 20 . 1 1 40 40 LEU H H 40 8.666 8.666 8.805 -0.139 25675 9275 1 20 . 1 1 41 41 SER N N 41 112.797 112.797 112.591 0.206 25675 9276 1 20 . 1 1 41 41 SER HA H 41 4.359 4.359 4.228 0.131 25675 9277 1 20 . 1 1 41 41 SER C C 41 176.760 176.760 175.801 0.959 25675 9278 1 20 . 1 1 41 41 SER CA C 41 60.390 60.390 61.172 -0.782 25675 9279 1 20 . 1 1 41 41 SER CB C 41 62.032 62.032 62.913 -0.881 25675 9280 1 20 . 1 1 41 41 SER H H 41 8.758 8.758 8.295 0.463 25675 9281 1 20 . 1 1 42 42 THR N N 42 121.066 121.066 117.208 3.858 25675 9282 1 20 . 1 1 42 42 THR HA H 42 3.993 3.993 4.182 -0.189 25675 9283 1 20 . 1 1 42 42 THR C C 42 176.226 176.226 175.744 0.482 25675 9284 1 20 . 1 1 42 42 THR CA C 42 65.206 65.206 64.632 0.574 25675 9285 1 20 . 1 1 42 42 THR CB C 42 67.912 67.912 68.765 -0.853 25675 9286 1 20 . 1 1 42 42 THR H H 42 7.461 7.461 7.553 -0.092 25675 9287 1 20 . 1 1 43 43 VAL N N 43 120.996 120.996 121.064 -0.068 25675 9288 1 20 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.740 -0.146 25675 9289 1 20 . 1 1 43 43 VAL C C 43 178.796 178.796 177.695 1.101 25675 9290 1 20 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.362 0.446 25675 9291 1 20 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.379 0.461 25675 9292 1 20 . 1 1 43 43 VAL H H 43 7.288 7.288 7.501 -0.213 25675 9293 1 20 . 1 1 44 44 THR N N 44 113.305 113.305 111.705 1.600 25675 9294 1 20 . 1 1 44 44 THR HA H 44 4.202 4.202 4.373 -0.171 25675 9295 1 20 . 1 1 44 44 THR C C 44 176.337 176.337 175.418 0.919 25675 9296 1 20 . 1 1 44 44 THR CA C 44 64.358 64.358 63.975 0.383 25675 9297 1 20 . 1 1 44 44 THR CB C 44 68.969 68.969 68.339 0.630 25675 9298 1 20 . 1 1 44 44 THR H H 44 9.189 9.189 7.708 1.481 25675 9299 1 20 . 1 1 45 45 ALA N N 45 121.618 121.618 124.655 -3.037 25675 9300 1 20 . 1 1 45 45 ALA HA H 45 4.049 4.049 3.992 0.057 25675 9301 1 20 . 1 1 45 45 ALA C C 45 178.685 178.685 178.944 -0.259 25675 9302 1 20 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.288 0.338 25675 9303 1 20 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.855 -0.578 25675 9304 1 20 . 1 1 45 45 ALA H H 45 7.274 7.274 7.151 0.123 25675 9305 1 20 . 1 1 46 46 GLN N N 46 112.595 112.595 113.250 -0.655 25675 9306 1 20 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.289 -0.159 25675 9307 1 20 . 1 1 46 46 GLN C C 46 174.823 174.823 175.843 -1.020 25675 9308 1 20 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.714 -0.464 25675 9309 1 20 . 1 1 46 46 GLN CB C 46 29.920 29.920 31.029 -1.109 25675 9310 1 20 . 1 1 46 46 GLN H H 46 6.860 6.860 7.552 -0.692 25675 9311 1 20 . 1 1 47 47 PHE N N 47 118.197 118.197 118.968 -0.771 25675 9312 1 20 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.033 -0.068 25675 9313 1 20 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.654 1.087 25675 9314 1 20 . 1 1 47 47 PHE CB C 47 39.614 39.614 38.673 0.941 25675 9315 1 20 . 1 1 47 47 PHE H H 47 8.344 8.344 7.514 0.830 25675 9316 1 20 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.493 -0.053 25675 9317 1 20 . 1 1 48 48 PRO C C 48 178.626 178.626 177.974 0.652 25675 9318 1 20 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.722 0.618 25675 9319 1 20 . 1 1 48 48 PRO CB C 48 31.446 31.446 31.911 -0.465 25675 9320 1 20 . 1 1 49 49 GLY N N 49 111.697 111.697 111.352 0.345 25675 9321 1 20 . 1 1 49 49 GLY C C 49 174.307 174.307 174.090 0.217 25675 9322 1 20 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.919 -0.158 25675 9323 1 20 . 1 1 49 49 GLY H H 49 8.849 8.849 8.818 0.031 25675 9324 1 20 . 1 1 50 50 ALA N N 50 122.602 122.602 122.429 0.173 25675 9325 1 20 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.583 -0.755 25675 9326 1 20 . 1 1 50 50 ALA C C 50 177.534 177.534 176.637 0.897 25675 9327 1 20 . 1 1 50 50 ALA CA C 50 53.406 53.406 51.927 1.479 25675 9328 1 20 . 1 1 50 50 ALA CB C 50 20.390 20.390 19.152 1.238 25675 9329 1 20 . 1 1 50 50 ALA H H 50 8.032 8.032 7.603 0.429 25675 9330 1 20 . 1 1 51 51 CYS N N 51 114.410 114.410 123.784 -9.374 25675 9331 1 20 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.664 -0.119 25675 9332 1 20 . 1 1 51 51 CYS C C 51 174.248 174.248 175.047 -0.799 25675 9333 1 20 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.718 -2.311 25675 9334 1 20 . 1 1 51 51 CYS CB C 51 29.813 29.813 30.062 -0.249 25675 9335 1 20 . 1 1 51 51 CYS H H 51 9.094 9.094 8.197 0.897 25675 9336 1 20 . 1 1 52 52 GLY N N 52 106.620 106.620 107.636 -1.016 25675 9337 1 20 . 1 1 52 52 GLY C C 52 170.769 170.769 171.871 -1.102 25675 9338 1 20 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.591 0.370 25675 9339 1 20 . 1 1 52 52 GLY H H 52 7.467 7.467 8.424 -0.957 25675 9340 1 20 . 1 1 53 53 LEU N N 53 117.961 117.961 122.276 -4.315 25675 9341 1 20 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.413 -0.068 25675 9342 1 20 . 1 1 53 53 LEU C C 53 175.563 175.563 176.283 -0.720 25675 9343 1 20 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.370 1.282 25675 9344 1 20 . 1 1 53 53 LEU CB C 53 48.585 48.585 44.275 4.310 25675 9345 1 20 . 1 1 53 53 LEU H H 53 8.900 8.900 8.166 0.734 25675 9346 1 20 . 1 1 54 54 ARG N N 54 119.739 119.739 120.435 -0.696 25675 9347 1 20 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.408 1.203 25675 9348 1 20 . 1 1 54 54 ARG C C 54 173.638 173.638 174.484 -0.846 25675 9349 1 20 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.356 0.091 25675 9350 1 20 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.076 0.462 25675 9351 1 20 . 1 1 54 54 ARG H H 54 9.493 9.493 8.288 1.205 25675 9352 1 20 . 1 1 55 55 TYR N N 55 115.879 115.879 118.594 -2.715 25675 9353 1 20 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.739 0.049 25675 9354 1 20 . 1 1 55 55 TYR C C 55 172.417 172.417 174.449 -2.032 25675 9355 1 20 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.767 -1.774 25675 9356 1 20 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.435 0.665 25675 9357 1 20 . 1 1 55 55 TYR H H 55 8.972 8.972 8.214 0.758 25675 9358 1 20 . 1 1 56 56 ARG N N 56 121.380 121.380 123.759 -2.379 25675 9359 1 20 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.778 -0.495 25675 9360 1 20 . 1 1 56 56 ARG C C 56 175.598 175.598 174.162 1.436 25675 9361 1 20 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.468 0.700 25675 9362 1 20 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.244 -1.491 25675 9363 1 20 . 1 1 56 56 ARG H H 56 8.883 8.883 8.374 0.509 25675 9364 1 20 . 1 1 57 57 ASN N N 57 127.980 127.980 125.265 2.715 25675 9365 1 20 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.228 -0.420 25675 9366 1 20 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.037 1.218 25675 9367 1 20 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.271 -1.530 25675 9368 1 20 . 1 1 57 57 ASN H H 57 8.428 8.428 8.773 -0.345 25675 9369 1 20 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.525 -0.232 25675 9370 1 20 . 1 1 58 58 PRO C C 58 177.241 177.241 177.132 0.109 25675 9371 1 20 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.630 -0.038 25675 9372 1 20 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.977 0.311 25675 9373 1 20 . 1 1 59 59 VAL N N 59 117.104 117.104 113.764 3.340 25675 9374 1 20 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.155 -0.246 25675 9375 1 20 . 1 1 59 59 VAL C C 59 177.077 177.077 176.394 0.683 25675 9376 1 20 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.028 0.694 25675 9377 1 20 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.781 0.180 25675 9378 1 20 . 1 1 59 59 VAL H H 59 7.965 7.965 7.820 0.145 25675 9379 1 20 . 1 1 60 60 SER N N 60 113.119 113.119 114.603 -1.484 25675 9380 1 20 . 1 1 60 60 SER HA H 60 4.427 4.427 4.410 0.017 25675 9381 1 20 . 1 1 60 60 SER C C 60 175.252 175.252 174.308 0.944 25675 9382 1 20 . 1 1 60 60 SER CA C 60 58.314 58.314 59.238 -0.924 25675 9383 1 20 . 1 1 60 60 SER CB C 60 65.134 65.134 63.627 1.506 25675 9384 1 20 . 1 1 60 60 SER H H 60 7.691 7.691 7.737 -0.046 25675 9385 1 20 . 1 1 61 61 GLN N N 61 115.138 115.138 116.354 -1.216 25675 9386 1 20 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.940 -0.080 25675 9387 1 20 . 1 1 61 61 GLN C C 61 174.882 174.882 175.404 -0.522 25675 9388 1 20 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.063 0.272 25675 9389 1 20 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.099 -0.099 25675 9390 1 20 . 1 1 61 61 GLN H H 61 8.309 8.309 8.278 0.031 25675 9391 1 20 . 1 1 62 62 CYS N N 62 116.568 116.568 116.471 0.097 25675 9392 1 20 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.527 0.005 25675 9393 1 20 . 1 1 62 62 CYS C C 62 174.242 174.242 174.909 -0.667 25675 9394 1 20 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.226 -0.142 25675 9395 1 20 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.281 -0.025 25675 9396 1 20 . 1 1 62 62 CYS H H 62 7.664 7.664 8.062 -0.398 25675 9397 1 20 . 1 1 63 63 MET N N 63 122.627 122.627 117.695 4.932 25675 9398 1 20 . 1 1 63 63 MET HA H 63 4.095 4.095 4.781 -0.686 25675 9399 1 20 . 1 1 63 63 MET C C 63 176.437 176.437 175.028 1.409 25675 9400 1 20 . 1 1 63 63 MET CA C 63 54.992 54.992 54.943 0.049 25675 9401 1 20 . 1 1 63 63 MET CB C 63 32.828 32.828 32.874 -0.046 25675 9402 1 20 . 1 1 63 63 MET H H 63 8.733 8.733 8.288 0.445 25675 9403 1 20 . 1 1 64 64 ARG N N 64 124.300 124.300 120.983 3.317 25675 9404 1 20 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.385 0.082 25675 9405 1 20 . 1 1 64 64 ARG C C 64 174.618 174.618 175.969 -1.351 25675 9406 1 20 . 1 1 64 64 ARG CA C 64 53.788 53.788 57.063 -3.275 25675 9407 1 20 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.593 1.942 25675 9408 1 20 . 1 1 64 64 ARG H H 64 8.995 8.995 8.142 0.853 25675 9409 1 20 . 1 1 65 65 GLY N N 65 122.716 122.716 106.599 16.117 25675 9410 1 20 . 1 1 65 65 GLY C C 65 174.589 174.589 173.439 1.150 25675 9411 1 20 . 1 1 65 65 GLY H H 65 8.474 8.474 8.329 0.145 25675 9412 1 20 . 1 1 66 66 VAL N N 66 124.050 124.050 120.672 3.378 25675 9413 1 20 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.602 0.593 25675 9414 1 20 . 1 1 66 66 VAL C C 66 176.220 176.220 175.699 0.521 25675 9415 1 20 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.164 -0.687 25675 9416 1 20 . 1 1 66 66 VAL CB C 66 32.677 32.677 31.703 0.974 25675 9417 1 20 . 1 1 66 66 VAL H H 66 8.313 8.313 7.556 0.757 25675 9418 1 20 . 1 1 67 67 ARG N N 67 131.490 131.490 127.368 4.122 25675 9419 1 20 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.602 -0.554 25675 9420 1 20 . 1 1 67 67 ARG C C 67 173.497 173.497 174.304 -0.807 25675 9421 1 20 . 1 1 67 67 ARG CA C 67 58.376 58.376 54.471 3.905 25675 9422 1 20 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.489 -0.557 25675 9423 1 20 . 1 1 67 67 ARG H H 67 9.314 9.314 7.923 1.391 25675 9424 1 20 . 1 1 68 68 LEU N N 68 130.230 130.230 127.222 3.008 25675 9425 1 20 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.552 0.652 25675 9426 1 20 . 1 1 68 68 LEU C C 68 175.950 175.950 174.767 1.183 25675 9427 1 20 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.344 -0.530 25675 9428 1 20 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.163 0.930 25675 9429 1 20 . 1 1 68 68 LEU H H 68 8.299 8.299 8.700 -0.401 25675 9430 1 20 . 1 1 69 69 VAL N N 69 127.090 127.090 127.148 -0.058 25675 9431 1 20 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.448 -0.121 25675 9432 1 20 . 1 1 69 69 VAL C C 69 176.155 176.155 174.883 1.272 25675 9433 1 20 . 1 1 69 69 VAL CA C 69 61.354 61.354 60.692 0.662 25675 9434 1 20 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.684 0.421 25675 9435 1 20 . 1 1 69 69 VAL H H 69 9.044 9.044 8.383 0.661 25675 9436 1 20 . 1 1 70 70 GLU N N 70 128.672 128.672 125.962 2.710 25675 9437 1 20 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.907 0.009 25675 9438 1 20 . 1 1 70 70 GLU C C 70 175.891 175.891 176.230 -0.339 25675 9439 1 20 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.340 -0.510 25675 9440 1 20 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.995 -0.805 25675 9441 1 20 . 1 1 70 70 GLU H H 70 9.646 9.646 9.217 0.429 25675 9442 1 20 . 1 1 71 71 GLY N N 71 117.967 117.967 103.716 14.251 25675 9443 1 20 . 1 1 71 71 GLY C C 71 173.327 173.327 173.984 -0.657 25675 9444 1 20 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.402 0.646 25675 9445 1 20 . 1 1 71 71 GLY H H 71 8.417 8.417 8.171 0.246 25675 9446 1 20 . 1 1 72 72 ILE N N 72 123.402 123.402 123.623 -0.221 25675 9447 1 20 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.353 -0.116 25675 9448 1 20 . 1 1 72 72 ILE C C 72 174.882 174.882 176.014 -1.132 25675 9449 1 20 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.766 -0.338 25675 9450 1 20 . 1 1 72 72 ILE CB C 72 38.851 38.851 38.217 0.634 25675 9451 1 20 . 1 1 72 72 ILE H H 72 8.124 8.124 7.974 0.150 25675 9452 1 20 . 1 1 73 73 LEU N N 73 129.380 129.380 129.875 -0.495 25675 9453 1 20 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.927 0.272 25675 9454 1 20 . 1 1 73 73 LEU C C 73 175.932 175.932 176.848 -0.916 25675 9455 1 20 . 1 1 73 73 LEU CA C 73 54.245 54.245 54.020 0.225 25675 9456 1 20 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.419 1.463 25675 9457 1 20 . 1 1 73 73 LEU H H 73 9.353 9.353 8.687 0.666 25675 9458 1 20 . 1 1 74 74 HIS N N 74 120.040 120.040 126.616 -6.576 25675 9459 1 20 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.783 -0.172 25675 9460 1 20 . 1 1 74 74 HIS C C 74 172.371 172.371 173.101 -0.730 25675 9461 1 20 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.464 -0.639 25675 9462 1 20 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.413 -1.562 25675 9463 1 20 . 1 1 74 74 HIS H H 74 8.541 8.541 9.227 -0.686 25675 9464 1 20 . 1 1 75 75 ALA N N 75 125.980 125.980 129.356 -3.376 25675 9465 1 20 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.925 -2.176 25675 9466 1 20 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.667 1.270 25675 9467 1 20 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.682 -1.734 25675 9468 1 20 . 1 1 75 75 ALA H H 75 8.413 8.413 8.241 0.172 25675 9469 1 20 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.191 0.091 25675 9470 1 20 . 1 1 76 76 PRO C C 76 176.185 176.185 176.011 0.174 25675 9471 1 20 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.863 0.418 25675 9472 1 20 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.303 -0.031 25675 9473 1 20 . 1 1 77 77 ASP N N 77 122.297 122.297 116.852 5.445 25675 9474 1 20 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.429 -0.339 25675 9475 1 20 . 1 1 77 77 ASP C C 77 176.977 176.977 176.765 0.212 25675 9476 1 20 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.459 2.045 25675 9477 1 20 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.269 -0.359 25675 9478 1 20 . 1 1 77 77 ASP H H 77 8.454 8.454 8.289 0.165 25675 9479 1 20 . 1 1 78 78 ALA N N 78 118.586 118.586 120.671 -2.085 25675 9480 1 20 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.361 -0.112 25675 9481 1 20 . 1 1 78 78 ALA C C 78 177.458 177.458 177.706 -0.248 25675 9482 1 20 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.249 0.475 25675 9483 1 20 . 1 1 78 78 ALA CB C 78 18.746 18.746 19.994 -1.248 25675 9484 1 20 . 1 1 78 78 ALA H H 78 8.032 8.032 7.601 0.431 25675 9485 1 20 . 1 1 79 79 GLY N N 79 107.830 107.830 105.414 2.416 25675 9486 1 20 . 1 1 79 79 GLY C C 79 172.928 172.928 174.578 -1.650 25675 9487 1 20 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.236 -0.895 25675 9488 1 20 . 1 1 79 79 GLY H H 79 7.902 7.902 7.260 0.642 25675 9489 1 20 . 1 1 80 80 TRP N N 80 119.474 119.474 123.409 -3.935 25675 9490 1 20 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.816 -0.281 25675 9491 1 20 . 1 1 80 80 TRP C C 80 180.190 180.190 177.522 2.668 25675 9492 1 20 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.313 0.357 25675 9493 1 20 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.268 0.818 25675 9494 1 20 . 1 1 80 80 TRP H H 80 8.389 8.389 8.546 -0.157 25675 9495 1 20 . 1 1 81 81 GLY N N 81 103.130 103.130 104.489 -1.359 25675 9496 1 20 . 1 1 81 81 GLY C C 81 174.110 174.110 172.863 1.247 25675 9497 1 20 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.962 0.917 25675 9498 1 20 . 1 1 81 81 GLY H H 81 8.519 8.519 8.591 -0.072 25675 9499 1 20 . 1 1 82 82 ASN N N 82 120.652 120.652 119.053 1.599 25675 9500 1 20 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.391 -0.315 25675 9501 1 20 . 1 1 82 82 ASN C C 82 175.211 175.211 175.096 0.115 25675 9502 1 20 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.276 -0.291 25675 9503 1 20 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.629 0.028 25675 9504 1 20 . 1 1 82 82 ASN H H 82 8.800 8.800 8.434 0.366 25675 9505 1 20 . 1 1 83 83 LEU N N 83 118.129 118.129 117.401 0.728 25675 9506 1 20 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.937 -0.808 25675 9507 1 20 . 1 1 83 83 LEU C C 83 174.442 174.442 174.728 -0.286 25675 9508 1 20 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.568 1.231 25675 9509 1 20 . 1 1 83 83 LEU CB C 83 41.857 41.857 42.474 -0.617 25675 9510 1 20 . 1 1 83 83 LEU H H 83 6.883 6.883 7.639 -0.756 25675 9511 1 20 . 1 1 84 84 VAL N N 84 118.316 118.316 118.107 0.209 25675 9512 1 20 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.323 -0.268 25675 9513 1 20 . 1 1 84 84 VAL C C 84 174.630 174.630 174.049 0.581 25675 9514 1 20 . 1 1 84 84 VAL CA C 84 62.443 62.443 60.977 1.466 25675 9515 1 20 . 1 1 84 84 VAL CB C 84 31.958 31.958 34.103 -2.146 25675 9516 1 20 . 1 1 84 84 VAL H H 84 7.835 7.835 7.741 0.094 25675 9517 1 20 . 1 1 85 85 TYR N N 85 128.110 128.110 126.552 1.558 25675 9518 1 20 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.390 -0.693 25675 9519 1 20 . 1 1 85 85 TYR C C 85 174.313 174.313 173.818 0.495 25675 9520 1 20 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.473 3.648 25675 9521 1 20 . 1 1 85 85 TYR CB C 85 40.540 40.540 41.157 -0.617 25675 9522 1 20 . 1 1 85 85 TYR H H 85 8.886 8.886 8.888 -0.002 25675 9523 1 20 . 1 1 86 86 VAL N N 86 122.593 122.593 123.712 -1.119 25675 9524 1 20 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.950 0.805 25675 9525 1 20 . 1 1 86 86 VAL C C 86 176.531 176.531 176.181 0.350 25675 9526 1 20 . 1 1 86 86 VAL CA C 86 59.999 59.999 61.408 -1.409 25675 9527 1 20 . 1 1 86 86 VAL CB C 86 33.419 33.419 32.537 0.882 25675 9528 1 20 . 1 1 86 86 VAL H H 86 9.473 9.473 7.825 1.648 25675 9529 1 20 . 1 1 87 87 VAL N N 87 124.298 124.298 124.586 -0.288 25675 9530 1 20 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.019 -0.232 25675 9531 1 20 . 1 1 87 87 VAL C C 87 174.735 174.735 175.038 -0.303 25675 9532 1 20 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.206 1.520 25675 9533 1 20 . 1 1 87 87 VAL CB C 87 32.723 32.723 32.099 0.624 25675 9534 1 20 . 1 1 87 87 VAL H H 87 7.864 7.864 8.146 -0.282 25675 9535 1 20 . 1 1 88 88 ASN N N 88 123.146 123.146 124.310 -1.164 25675 9536 1 20 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.745 0.029 25675 9537 1 20 . 1 1 88 88 ASN C C 88 172.900 172.900 173.588 -0.688 25675 9538 1 20 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.168 -0.836 25675 9539 1 20 . 1 1 88 88 ASN CB C 88 40.773 40.773 41.575 -0.802 25675 9540 1 20 . 1 1 88 88 ASN H H 88 7.786 7.786 7.953 -0.167 25675 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 80 3.978 -0.091 4.002 25675 2 1 1 "Average Difference" HA 95 0.410 0.053 0.409 25675 3 1 1 "Average Difference" C 81 1.054 -0.033 1.060 25675 4 1 1 "Average Difference" CA 83 1.205 0.043 1.211 25675 5 1 1 "Average Difference" CB 76 1.249 0.231 1.235 25675 6 1 1 "Average Difference" HN 80 0.563 -0.233 0.516 25675 7 1 2 "Average Difference" N 80 4.028 -0.447 4.028 25675 8 1 2 "Average Difference" HA 95 0.404 0.067 0.400 25675 9 1 2 "Average Difference" C 81 1.016 0.020 1.023 25675 10 1 2 "Average Difference" CA 83 1.148 -0.030 1.154 25675 11 1 2 "Average Difference" CB 76 1.142 0.184 1.135 25675 12 1 2 "Average Difference" HN 80 0.579 -0.280 0.511 25675 13 1 3 "Average Difference" N 80 4.070 -0.176 4.091 25675 14 1 3 "Average Difference" HA 95 0.397 0.057 0.395 25675 15 1 3 "Average Difference" C 81 1.027 0.008 1.033 25675 16 1 3 "Average Difference" CA 83 1.170 0.029 1.177 25675 17 1 3 "Average Difference" CB 76 1.203 0.159 1.201 25675 18 1 3 "Average Difference" HN 80 0.571 -0.241 0.521 25675 19 1 4 "Average Difference" N 80 4.093 -0.048 4.119 25675 20 1 4 "Average Difference" HA 95 0.425 0.050 0.424 25675 21 1 4 "Average Difference" C 81 1.044 0.054 1.049 25675 22 1 4 "Average Difference" CA 83 1.096 0.094 1.098 25675 23 1 4 "Average Difference" CB 76 1.121 0.166 1.116 25675 24 1 4 "Average Difference" HN 80 0.590 -0.236 0.544 25675 25 1 5 "Average Difference" N 80 3.967 -0.219 3.986 25675 26 1 5 "Average Difference" HA 95 0.405 0.051 0.404 25675 27 1 5 "Average Difference" C 81 1.029 -0.026 1.035 25675 28 1 5 "Average Difference" CA 83 1.117 0.007 1.124 25675 29 1 5 "Average Difference" CB 76 1.163 0.213 1.151 25675 30 1 5 "Average Difference" HN 80 0.572 -0.251 0.517 25675 31 1 6 "Average Difference" N 80 4.002 -0.424 4.005 25675 32 1 6 "Average Difference" HA 95 0.413 0.039 0.413 25675 33 1 6 "Average Difference" C 81 1.028 -0.015 1.035 25675 34 1 6 "Average Difference" CA 83 1.124 0.043 1.129 25675 35 1 6 "Average Difference" CB 76 1.231 0.209 1.221 25675 36 1 6 "Average Difference" HN 80 0.616 -0.298 0.543 25675 37 1 7 "Average Difference" N 80 3.993 0.010 4.018 25675 38 1 7 "Average Difference" HA 95 0.432 0.085 0.426 25675 39 1 7 "Average Difference" C 81 0.980 -0.064 0.984 25675 40 1 7 "Average Difference" CA 83 1.053 -0.042 1.059 25675 41 1 7 "Average Difference" CB 76 1.318 0.212 1.309 25675 42 1 7 "Average Difference" HN 80 0.557 -0.209 0.519 25675 43 1 8 "Average Difference" N 80 3.875 -0.161 3.896 25675 44 1 8 "Average Difference" HA 95 0.412 0.079 0.406 25675 45 1 8 "Average Difference" C 81 1.051 -0.087 1.054 25675 46 1 8 "Average Difference" CA 83 1.146 0.074 1.150 25675 47 1 8 "Average Difference" CB 76 1.199 0.178 1.194 25675 48 1 8 "Average Difference" HN 80 0.553 -0.185 0.524 25675 49 1 9 "Average Difference" N 80 4.027 -0.222 4.047 25675 50 1 9 "Average Difference" HA 95 0.403 0.077 0.398 25675 51 1 9 "Average Difference" C 81 0.941 -0.052 0.946 25675 52 1 9 "Average Difference" CA 83 1.109 -0.057 1.115 25675 53 1 9 "Average Difference" CB 76 1.179 0.238 1.163 25675 54 1 9 "Average Difference" HN 80 0.573 -0.231 0.528 25675 55 1 10 "Average Difference" N 80 3.872 -0.176 3.893 25675 56 1 10 "Average Difference" HA 95 0.417 0.050 0.416 25675 57 1 10 "Average Difference" C 81 0.995 0.039 1.000 25675 58 1 10 "Average Difference" CA 83 1.119 0.073 1.123 25675 59 1 10 "Average Difference" CB 76 1.350 0.187 1.346 25675 60 1 10 "Average Difference" HN 80 0.550 -0.233 0.502 25675 61 1 11 "Average Difference" N 80 3.929 -0.110 3.952 25675 62 1 11 "Average Difference" HA 95 0.417 0.047 0.416 25675 63 1 11 "Average Difference" C 81 1.003 0.050 1.008 25675 64 1 11 "Average Difference" CA 83 1.162 0.068 1.168 25675 65 1 11 "Average Difference" CB 76 1.077 0.105 1.079 25675 66 1 11 "Average Difference" HN 80 0.579 -0.280 0.510 25675 67 1 12 "Average Difference" N 80 3.807 -0.284 3.820 25675 68 1 12 "Average Difference" HA 95 0.426 0.091 0.419 25675 69 1 12 "Average Difference" C 81 1.027 -0.046 1.032 25675 70 1 12 "Average Difference" CA 83 1.051 -0.085 1.054 25675 71 1 12 "Average Difference" CB 76 1.111 0.302 1.076 25675 72 1 12 "Average Difference" HN 80 0.569 -0.241 0.519 25675 73 1 13 "Average Difference" N 80 3.925 0.137 3.947 25675 74 1 13 "Average Difference" HA 95 0.420 0.082 0.415 25675 75 1 13 "Average Difference" C 81 1.040 0.027 1.046 25675 76 1 13 "Average Difference" CA 83 1.065 -0.029 1.071 25675 77 1 13 "Average Difference" CB 76 1.168 0.207 1.157 25675 78 1 13 "Average Difference" HN 80 0.560 -0.227 0.515 25675 79 1 14 "Average Difference" N 80 4.133 -0.393 4.141 25675 80 1 14 "Average Difference" HA 95 0.416 0.050 0.415 25675 81 1 14 "Average Difference" C 81 1.008 0.028 1.014 25675 82 1 14 "Average Difference" CA 83 1.098 0.014 1.105 25675 83 1 14 "Average Difference" CB 76 1.129 0.175 1.122 25675 84 1 14 "Average Difference" HN 80 0.582 -0.281 0.513 25675 85 1 15 "Average Difference" N 80 3.966 -0.082 3.990 25675 86 1 15 "Average Difference" HA 95 0.425 0.063 0.423 25675 87 1 15 "Average Difference" C 81 0.994 -0.015 1.001 25675 88 1 15 "Average Difference" CA 83 1.090 0.024 1.096 25675 89 1 15 "Average Difference" CB 76 1.093 0.175 1.086 25675 90 1 15 "Average Difference" HN 80 0.598 -0.260 0.542 25675 91 1 16 "Average Difference" N 80 4.045 -0.166 4.067 25675 92 1 16 "Average Difference" HA 95 0.425 0.064 0.423 25675 93 1 16 "Average Difference" C 81 1.075 -0.021 1.081 25675 94 1 16 "Average Difference" CA 83 1.151 0.046 1.157 25675 95 1 16 "Average Difference" CB 76 1.238 0.235 1.223 25675 96 1 16 "Average Difference" HN 80 0.565 -0.259 0.505 25675 97 1 17 "Average Difference" N 80 4.067 -0.109 4.092 25675 98 1 17 "Average Difference" HA 95 0.430 0.034 0.431 25675 99 1 17 "Average Difference" C 81 1.086 0.036 1.092 25675 100 1 17 "Average Difference" CA 83 1.209 0.053 1.216 25675 101 1 17 "Average Difference" CB 76 1.187 0.172 1.182 25675 102 1 17 "Average Difference" HN 80 0.595 -0.290 0.522 25675 103 1 18 "Average Difference" N 80 4.009 -0.301 4.023 25675 104 1 18 "Average Difference" HA 95 0.424 0.045 0.424 25675 105 1 18 "Average Difference" C 81 1.003 0.006 1.009 25675 106 1 18 "Average Difference" CA 83 1.114 0.048 1.120 25675 107 1 18 "Average Difference" CB 76 1.263 0.184 1.257 25675 108 1 18 "Average Difference" HN 80 0.562 -0.276 0.493 25675 109 1 19 "Average Difference" N 80 4.018 -0.200 4.039 25675 110 1 19 "Average Difference" HA 95 0.416 0.055 0.415 25675 111 1 19 "Average Difference" C 81 0.935 0.011 0.940 25675 112 1 19 "Average Difference" CA 83 1.141 0.015 1.148 25675 113 1 19 "Average Difference" CB 76 1.266 0.215 1.256 25675 114 1 19 "Average Difference" HN 80 0.588 -0.267 0.526 25675 115 1 20 "Average Difference" N 80 3.919 -0.203 3.939 25675 116 1 20 "Average Difference" HA 95 0.415 0.062 0.412 25675 117 1 20 "Average Difference" C 81 0.991 -0.010 0.997 25675 118 1 20 "Average Difference" CA 83 1.181 -0.081 1.185 25675 119 1 20 "Average Difference" CB 76 1.105 0.245 1.085 25675 120 1 20 "Average Difference" HN 80 0.577 -0.245 0.526 25675 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 25675 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 3 3 GLY C C 3 173.761 173.761 174.197 -0.436 25675 2 1 . 1 1 3 3 GLY CA C 3 45.130 45.130 44.998 0.132 25675 3 1 . 1 1 4 4 SER N N 4 115.011 115.011 116.589 -1.578 25675 4 1 . 1 1 4 4 SER HA H 4 4.304 4.304 4.562 -0.258 25675 5 1 . 1 1 4 4 SER C C 4 174.600 174.600 174.276 0.324 25675 6 1 . 1 1 4 4 SER CA C 4 57.900 57.900 58.321 -0.421 25675 7 1 . 1 1 4 4 SER CB C 4 63.800 63.800 64.203 -0.403 25675 8 1 . 1 1 4 4 SER H H 4 8.185 8.185 8.260 -0.075 25675 9 1 . 1 1 5 5 HIS N N 5 120.326 120.326 121.879 -1.553 25675 10 1 . 1 1 5 5 HIS HA H 5 4.602 4.602 4.707 -0.105 25675 11 1 . 1 1 5 5 HIS C C 5 174.200 174.200 174.884 -0.684 25675 12 1 . 1 1 5 5 HIS CA C 5 55.268 55.268 56.060 -0.792 25675 13 1 . 1 1 5 5 HIS CB C 5 29.000 29.000 30.375 -1.375 25675 14 1 . 1 1 5 5 HIS H H 5 8.641 8.641 8.477 0.164 25675 15 1 . 1 1 6 6 HIS N N 6 119.478 119.478 118.795 0.683 25675 16 1 . 1 1 6 6 HIS HA H 6 4.627 4.627 4.490 0.137 25675 17 1 . 1 1 6 6 HIS C C 6 174.100 174.100 174.703 -0.603 25675 18 1 . 1 1 6 6 HIS CA C 6 55.268 55.268 55.878 -0.610 25675 19 1 . 1 1 6 6 HIS CB C 6 29.300 29.300 30.492 -1.192 25675 20 1 . 1 1 6 6 HIS H H 6 8.555 8.555 8.193 0.361 25675 21 1 . 1 1 7 7 HIS N N 7 120.507 120.507 119.335 1.172 25675 22 1 . 1 1 7 7 HIS HA H 7 4.581 4.581 4.597 -0.015 25675 23 1 . 1 1 7 7 HIS C C 7 174.100 174.100 174.742 -0.642 25675 24 1 . 1 1 7 7 HIS CA C 7 55.268 55.268 55.832 -0.564 25675 25 1 . 1 1 7 7 HIS CB C 7 29.300 29.300 31.037 -1.738 25675 26 1 . 1 1 7 7 HIS H H 7 8.777 8.777 8.299 0.478 25675 27 1 . 1 1 8 8 HIS N N 8 120.616 120.616 120.227 0.389 25675 28 1 . 1 1 8 8 HIS HA H 8 4.600 4.600 4.641 -0.041 25675 29 1 . 1 1 8 8 HIS C C 8 174.200 174.200 174.735 -0.535 25675 30 1 . 1 1 8 8 HIS CA C 8 55.268 55.268 56.164 -0.896 25675 31 1 . 1 1 8 8 HIS CB C 8 29.300 29.300 30.766 -1.466 25675 32 1 . 1 1 8 8 HIS H H 8 8.777 8.777 8.461 0.316 25675 33 1 . 1 1 9 9 HIS N N 9 121.131 121.131 120.471 0.660 25675 34 1 . 1 1 9 9 HIS HA H 9 4.580 4.580 4.547 0.033 25675 35 1 . 1 1 9 9 HIS C C 9 173.990 173.990 174.830 -0.840 25675 36 1 . 1 1 9 9 HIS CA C 9 55.000 55.000 55.967 -0.967 25675 37 1 . 1 1 9 9 HIS CB C 9 29.400 29.400 30.600 -1.200 25675 38 1 . 1 1 9 9 HIS H H 9 8.785 8.785 8.384 0.401 25675 39 1 . 1 1 10 10 HIS N N 10 121.437 121.437 120.087 1.350 25675 40 1 . 1 1 10 10 HIS HA H 10 4.594 4.594 4.577 0.017 25675 41 1 . 1 1 10 10 HIS C C 10 174.577 174.577 175.532 -0.955 25675 42 1 . 1 1 10 10 HIS CA C 10 55.268 55.268 56.163 -0.895 25675 43 1 . 1 1 10 10 HIS CB C 10 28.900 28.900 30.654 -1.754 25675 44 1 . 1 1 10 10 HIS H H 10 8.769 8.769 8.375 0.394 25675 45 1 . 1 1 11 11 GLY N N 11 111.579 111.579 109.572 2.007 25675 46 1 . 1 1 11 11 GLY C C 11 174.184 174.184 173.730 0.454 25675 47 1 . 1 1 11 11 GLY CA C 11 45.340 45.340 44.933 0.407 25675 48 1 . 1 1 11 11 GLY H H 11 8.559 8.559 8.258 0.301 25675 49 1 . 1 1 12 12 SER N N 12 115.987 115.987 116.800 -0.813 25675 50 1 . 1 1 12 12 SER HA H 12 4.407 4.407 4.611 -0.204 25675 51 1 . 1 1 12 12 SER C C 12 174.817 174.817 174.509 0.308 25675 52 1 . 1 1 12 12 SER CA C 12 58.529 58.529 58.179 0.350 25675 53 1 . 1 1 12 12 SER CB C 12 63.780 63.780 64.547 -0.767 25675 54 1 . 1 1 12 12 SER H H 12 8.353 8.353 8.232 0.121 25675 55 1 . 1 1 13 13 MET N N 13 121.805 121.805 121.806 -0.001 25675 56 1 . 1 1 13 13 MET HA H 13 4.521 4.521 4.627 -0.106 25675 57 1 . 1 1 13 13 MET C C 13 176.003 176.003 175.544 0.459 25675 58 1 . 1 1 13 13 MET CA C 13 55.503 55.503 55.515 -0.012 25675 59 1 . 1 1 13 13 MET CB C 13 32.843 32.843 33.538 -0.695 25675 60 1 . 1 1 13 13 MET H H 13 8.432 8.432 8.313 0.119 25675 61 1 . 1 1 14 14 SER N N 14 116.515 116.515 117.317 -0.802 25675 62 1 . 1 1 14 14 SER HA H 14 4.265 4.265 4.523 -0.258 25675 63 1 . 1 1 14 14 SER C C 14 174.055 174.055 174.105 -0.050 25675 64 1 . 1 1 14 14 SER H H 14 8.205 8.205 8.221 -0.016 25675 65 1 . 1 1 15 15 GLU N N 15 122.455 122.455 123.802 -1.347 25675 66 1 . 1 1 15 15 GLU HA H 15 4.235 4.235 4.641 -0.406 25675 67 1 . 1 1 15 15 GLU C C 15 174.900 174.900 175.306 -0.405 25675 68 1 . 1 1 15 15 GLU CA C 15 55.628 55.628 55.468 0.160 25675 69 1 . 1 1 15 15 GLU CB C 15 30.225 30.225 31.917 -1.692 25675 70 1 . 1 1 15 15 GLU H H 15 8.292 8.292 8.797 -0.505 25675 71 1 . 1 1 16 16 TYR N N 16 118.896 118.896 116.621 2.275 25675 72 1 . 1 1 16 16 TYR HA H 16 5.061 5.061 4.923 0.138 25675 73 1 . 1 1 16 16 TYR C C 16 174.935 174.935 174.550 0.384 25675 74 1 . 1 1 16 16 TYR CA C 16 56.712 56.712 55.962 0.750 25675 75 1 . 1 1 16 16 TYR CB C 16 41.507 41.507 40.751 0.756 25675 76 1 . 1 1 16 16 TYR H H 16 7.955 7.955 7.942 0.013 25675 77 1 . 1 1 17 17 ILE N N 17 115.711 115.711 121.315 -5.604 25675 78 1 . 1 1 17 17 ILE HA H 17 4.549 4.549 4.364 0.184 25675 79 1 . 1 1 17 17 ILE C C 17 174.747 174.747 173.989 0.758 25675 80 1 . 1 1 17 17 ILE CA C 17 59.442 59.442 59.861 -0.419 25675 81 1 . 1 1 17 17 ILE CB C 17 40.859 40.859 39.953 0.906 25675 82 1 . 1 1 17 17 ILE H H 17 8.890 8.890 7.967 0.923 25675 83 1 . 1 1 18 18 ARG N N 18 123.175 123.175 129.259 -6.084 25675 84 1 . 1 1 18 18 ARG HA H 18 4.880 4.880 5.459 -0.579 25675 85 1 . 1 1 18 18 ARG C C 18 174.988 174.988 175.112 -0.124 25675 86 1 . 1 1 18 18 ARG CA C 18 55.844 55.844 54.562 1.282 25675 87 1 . 1 1 18 18 ARG CB C 18 31.730 31.730 31.439 0.291 25675 88 1 . 1 1 18 18 ARG H H 18 8.636 8.636 8.363 0.273 25675 89 1 . 1 1 19 19 VAL N N 19 122.554 122.554 120.086 2.468 25675 90 1 . 1 1 19 19 VAL HA H 19 5.464 5.464 5.674 -0.210 25675 91 1 . 1 1 19 19 VAL C C 19 173.984 173.984 174.713 -0.729 25675 92 1 . 1 1 19 19 VAL CA C 19 59.894 59.894 59.410 0.484 25675 93 1 . 1 1 19 19 VAL CB C 19 35.709 35.709 35.820 -0.111 25675 94 1 . 1 1 19 19 VAL H H 19 8.916 8.916 8.209 0.707 25675 95 1 . 1 1 20 20 THR N N 20 118.638 118.638 114.870 3.768 25675 96 1 . 1 1 20 20 THR HA H 20 5.081 5.081 4.899 0.182 25675 97 1 . 1 1 20 20 THR C C 20 172.312 172.312 174.561 -2.249 25675 98 1 . 1 1 20 20 THR CA C 20 57.731 57.731 59.554 -1.823 25675 99 1 . 1 1 20 20 THR CB C 20 71.835 71.835 71.440 0.395 25675 100 1 . 1 1 20 20 THR H H 20 8.794 8.794 8.154 0.640 25675 101 1 . 1 1 21 21 GLU N N 21 124.307 124.307 124.041 0.266 25675 102 1 . 1 1 21 21 GLU HA H 21 4.174 4.174 3.469 0.706 25675 103 1 . 1 1 21 21 GLU C C 21 175.258 175.258 176.169 -0.911 25675 104 1 . 1 1 21 21 GLU CA C 21 56.900 56.900 58.929 -2.029 25675 105 1 . 1 1 21 21 GLU CB C 21 28.952 28.952 30.183 -1.230 25675 106 1 . 1 1 21 21 GLU H H 21 8.792 8.792 8.875 -0.083 25675 107 1 . 1 1 22 22 ASP N N 22 117.282 117.282 117.521 -0.239 25675 108 1 . 1 1 22 22 ASP HA H 22 4.604 4.604 4.742 -0.138 25675 109 1 . 1 1 22 22 ASP C C 22 175.387 175.387 176.326 -0.939 25675 110 1 . 1 1 22 22 ASP CA C 22 53.465 53.465 53.134 0.331 25675 111 1 . 1 1 22 22 ASP CB C 22 42.875 42.875 43.168 -0.293 25675 112 1 . 1 1 22 22 ASP H H 22 7.932 7.932 7.615 0.317 25675 113 1 . 1 1 23 23 GLU N N 23 123.785 123.785 120.644 3.141 25675 114 1 . 1 1 23 23 GLU HA H 23 3.938 3.938 4.032 -0.094 25675 115 1 . 1 1 23 23 GLU C C 23 176.062 176.062 176.936 -0.874 25675 116 1 . 1 1 23 23 GLU CA C 23 59.442 59.442 58.640 0.802 25675 117 1 . 1 1 23 23 GLU CB C 23 29.436 29.436 29.560 -0.124 25675 118 1 . 1 1 23 23 GLU H H 23 9.232 9.232 8.655 0.577 25675 119 1 . 1 1 24 24 ASN N N 24 115.807 115.807 117.407 -1.600 25675 120 1 . 1 1 24 24 ASN HA H 24 4.688 4.688 4.600 0.088 25675 121 1 . 1 1 24 24 ASN C C 24 174.636 174.636 175.397 -0.761 25675 122 1 . 1 1 24 24 ASN CA C 24 53.898 53.898 54.329 -0.431 25675 123 1 . 1 1 24 24 ASN CB C 24 38.903 38.903 38.366 0.537 25675 124 1 . 1 1 24 24 ASN H H 24 8.694 8.694 8.271 0.423 25675 125 1 . 1 1 25 25 ASP N N 25 119.629 119.629 119.685 -0.056 25675 126 1 . 1 1 25 25 ASP HA H 25 4.955 4.955 4.748 0.207 25675 127 1 . 1 1 25 25 ASP C C 25 175.269 175.269 175.197 0.072 25675 128 1 . 1 1 25 25 ASP CA C 25 52.190 52.190 53.492 -1.302 25675 129 1 . 1 1 25 25 ASP CB C 25 40.792 40.792 42.312 -1.520 25675 130 1 . 1 1 25 25 ASP H H 25 7.987 7.987 7.853 0.134 25675 131 1 . 1 1 26 26 GLU N N 26 123.692 123.692 120.249 3.443 25675 132 1 . 1 1 26 26 GLU HA H 26 4.522 4.522 4.492 0.030 25675 133 1 . 1 1 26 26 GLU CA C 26 54.120 54.120 54.425 -0.305 25675 134 1 . 1 1 26 26 GLU CB C 26 28.899 28.899 30.142 -1.243 25675 135 1 . 1 1 26 26 GLU H H 26 8.718 8.718 8.471 0.247 25675 136 1 . 1 1 27 27 PRO HA H 27 4.729 4.729 4.508 0.221 25675 137 1 . 1 1 27 27 PRO C C 27 176.126 176.126 175.778 0.348 25675 138 1 . 1 1 27 27 PRO CA C 27 62.351 62.351 62.911 -0.561 25675 139 1 . 1 1 27 27 PRO CB C 27 33.519 33.519 31.867 1.652 25675 140 1 . 1 1 28 28 ILE N N 28 118.646 118.646 124.823 -6.177 25675 141 1 . 1 1 28 28 ILE HA H 28 4.474 4.474 4.284 0.190 25675 142 1 . 1 1 28 28 ILE C C 28 175.181 175.181 174.372 0.809 25675 143 1 . 1 1 28 28 ILE CA C 28 59.448 59.448 59.687 -0.239 25675 144 1 . 1 1 28 28 ILE CB C 28 40.626 40.626 40.385 0.241 25675 145 1 . 1 1 28 28 ILE H H 28 9.244 9.244 7.968 1.276 25675 146 1 . 1 1 29 29 GLU N N 29 120.763 120.763 127.472 -6.709 25675 147 1 . 1 1 29 29 GLU HA H 29 4.905 4.905 5.080 -0.175 25675 148 1 . 1 1 29 29 GLU C C 29 175.739 175.739 175.552 0.187 25675 149 1 . 1 1 29 29 GLU CA C 29 55.288 55.288 54.794 0.494 25675 150 1 . 1 1 29 29 GLU CB C 29 29.040 29.040 30.220 -1.180 25675 151 1 . 1 1 29 29 GLU H H 29 8.220 8.220 8.379 -0.159 25675 152 1 . 1 1 30 30 ILE N N 30 124.950 124.950 119.134 5.816 25675 153 1 . 1 1 30 30 ILE HA H 30 4.746 4.746 4.753 -0.007 25675 154 1 . 1 1 30 30 ILE CA C 30 55.714 55.714 57.504 -1.790 25675 155 1 . 1 1 30 30 ILE CB C 30 38.853 38.853 39.543 -0.690 25675 156 1 . 1 1 30 30 ILE H H 30 9.307 9.307 8.445 0.862 25675 157 1 . 1 1 31 31 PRO HA H 31 4.383 4.383 4.611 -0.228 25675 158 1 . 1 1 31 31 PRO C C 31 175.768 175.768 176.166 -0.398 25675 159 1 . 1 1 31 31 PRO CA C 31 62.782 62.782 62.901 -0.119 25675 160 1 . 1 1 31 31 PRO CB C 31 32.367 32.367 32.099 0.268 25675 161 1 . 1 1 32 32 SER N N 32 114.522 114.522 116.562 -2.040 25675 162 1 . 1 1 32 32 SER HA H 32 4.567 4.567 4.674 -0.107 25675 163 1 . 1 1 32 32 SER C C 32 175.170 175.170 173.696 1.474 25675 164 1 . 1 1 32 32 SER CA C 32 56.211 56.211 56.537 -0.326 25675 165 1 . 1 1 32 32 SER CB C 32 65.701 65.701 65.963 -0.262 25675 166 1 . 1 1 32 32 SER H H 32 7.835 7.835 8.201 -0.366 25675 167 1 . 1 1 33 33 GLU N N 33 118.001 118.001 120.652 -2.651 25675 168 1 . 1 1 33 33 GLU HA H 33 4.293 4.293 4.349 -0.056 25675 169 1 . 1 1 33 33 GLU C C 33 178.843 178.843 177.379 1.464 25675 170 1 . 1 1 33 33 GLU CB C 33 30.593 30.593 31.005 -0.412 25675 171 1 . 1 1 33 33 GLU H H 33 9.229 9.229 8.545 0.684 25675 172 1 . 1 1 34 34 ASP N N 34 122.097 122.097 120.281 1.816 25675 173 1 . 1 1 34 34 ASP HA H 34 4.272 4.272 4.455 -0.183 25675 174 1 . 1 1 34 34 ASP C C 34 175.680 175.680 177.432 -1.752 25675 175 1 . 1 1 34 34 ASP CA C 34 56.962 56.962 56.765 0.197 25675 176 1 . 1 1 34 34 ASP CB C 34 40.086 40.086 40.756 -0.670 25675 177 1 . 1 1 34 34 ASP H H 34 9.067 9.067 8.809 0.258 25675 178 1 . 1 1 35 35 ASP N N 35 115.678 115.678 118.980 -3.302 25675 179 1 . 1 1 35 35 ASP HA H 35 4.495 4.495 4.486 0.009 25675 180 1 . 1 1 35 35 ASP C C 35 177.470 177.470 177.170 0.300 25675 181 1 . 1 1 35 35 ASP CA C 35 52.916 52.916 55.421 -2.505 25675 182 1 . 1 1 35 35 ASP CB C 35 39.813 39.813 40.775 -0.962 25675 183 1 . 1 1 35 35 ASP H H 35 7.701 7.701 8.432 -0.731 25675 184 1 . 1 1 36 36 GLY N N 36 107.781 107.781 106.184 1.597 25675 185 1 . 1 1 36 36 GLY C C 36 175.387 175.387 174.285 1.102 25675 186 1 . 1 1 36 36 GLY CA C 36 45.526 45.526 45.094 0.432 25675 187 1 . 1 1 36 36 GLY H H 36 8.211 8.211 7.820 0.390 25675 188 1 . 1 1 37 37 THR N N 37 113.224 113.224 113.042 0.182 25675 189 1 . 1 1 37 37 THR HA H 37 4.787 4.787 4.977 -0.190 25675 190 1 . 1 1 37 37 THR C C 37 175.874 175.874 173.710 2.164 25675 191 1 . 1 1 37 37 THR CA C 37 61.569 61.569 61.341 0.228 25675 192 1 . 1 1 37 37 THR CB C 37 71.292 71.292 71.111 0.181 25675 193 1 . 1 1 37 37 THR H H 37 7.890 7.890 7.865 0.025 25675 194 1 . 1 1 38 38 VAL N N 38 117.698 117.698 119.899 -2.201 25675 195 1 . 1 1 38 38 VAL HA H 38 4.347 4.347 4.415 -0.069 25675 196 1 . 1 1 38 38 VAL C C 38 175.187 175.187 174.459 0.728 25675 197 1 . 1 1 38 38 VAL CA C 38 61.037 61.037 61.103 -0.067 25675 198 1 . 1 1 38 38 VAL CB C 38 35.474 35.474 35.157 0.317 25675 199 1 . 1 1 38 38 VAL H H 38 8.382 8.382 8.405 -0.023 25675 200 1 . 1 1 39 39 LEU N N 39 126.182 126.182 127.131 -0.949 25675 201 1 . 1 1 39 39 LEU HA H 39 4.499 4.499 4.274 0.225 25675 202 1 . 1 1 39 39 LEU C C 39 178.655 178.655 177.834 0.821 25675 203 1 . 1 1 39 39 LEU CA C 39 54.994 54.994 55.230 -0.236 25675 204 1 . 1 1 39 39 LEU CB C 39 40.660 40.660 42.800 -2.140 25675 205 1 . 1 1 39 39 LEU H H 39 8.516 8.516 8.634 -0.118 25675 206 1 . 1 1 40 40 LEU N N 40 125.652 125.652 125.072 0.580 25675 207 1 . 1 1 40 40 LEU HA H 40 3.973 3.973 4.033 -0.060 25675 208 1 . 1 1 40 40 LEU C C 40 178.620 178.620 178.674 -0.054 25675 209 1 . 1 1 40 40 LEU CA C 40 58.256 58.256 57.687 0.569 25675 210 1 . 1 1 40 40 LEU CB C 40 40.998 40.998 41.654 -0.656 25675 211 1 . 1 1 40 40 LEU H H 40 8.666 8.666 8.832 -0.166 25675 212 1 . 1 1 41 41 SER N N 41 112.797 112.797 112.778 0.019 25675 213 1 . 1 1 41 41 SER HA H 41 4.359 4.359 4.215 0.144 25675 214 1 . 1 1 41 41 SER C C 41 176.760 176.760 176.198 0.562 25675 215 1 . 1 1 41 41 SER CA C 41 60.390 60.390 61.247 -0.857 25675 216 1 . 1 1 41 41 SER CB C 41 62.032 62.032 62.865 -0.833 25675 217 1 . 1 1 41 41 SER H H 41 8.758 8.758 8.327 0.431 25675 218 1 . 1 1 42 42 THR N N 42 121.066 121.066 118.193 2.873 25675 219 1 . 1 1 42 42 THR HA H 42 3.993 3.993 4.117 -0.124 25675 220 1 . 1 1 42 42 THR C C 42 176.226 176.226 175.844 0.382 25675 221 1 . 1 1 42 42 THR CA C 42 65.206 65.206 65.335 -0.129 25675 222 1 . 1 1 42 42 THR CB C 42 67.912 67.912 68.806 -0.894 25675 223 1 . 1 1 42 42 THR H H 42 7.461 7.461 7.514 -0.053 25675 224 1 . 1 1 43 43 VAL N N 43 120.996 120.996 121.205 -0.209 25675 225 1 . 1 1 43 43 VAL HA H 43 3.594 3.594 3.691 -0.097 25675 226 1 . 1 1 43 43 VAL C C 43 178.796 178.796 177.490 1.306 25675 227 1 . 1 1 43 43 VAL CA C 43 66.808 66.808 66.463 0.345 25675 228 1 . 1 1 43 43 VAL CB C 43 31.840 31.840 31.629 0.210 25675 229 1 . 1 1 43 43 VAL H H 43 7.288 7.288 7.439 -0.151 25675 230 1 . 1 1 44 44 THR N N 44 113.305 113.305 111.195 2.110 25675 231 1 . 1 1 44 44 THR HA H 44 4.202 4.202 4.355 -0.153 25675 232 1 . 1 1 44 44 THR C C 44 176.337 176.337 175.441 0.896 25675 233 1 . 1 1 44 44 THR CA C 44 64.358 64.358 64.329 0.029 25675 234 1 . 1 1 44 44 THR CB C 44 68.969 68.969 68.635 0.334 25675 235 1 . 1 1 44 44 THR H H 44 9.189 9.189 7.740 1.449 25675 236 1 . 1 1 45 45 ALA N N 45 121.618 121.618 124.122 -2.504 25675 237 1 . 1 1 45 45 ALA HA H 45 4.049 4.049 4.061 -0.012 25675 238 1 . 1 1 45 45 ALA C C 45 178.685 178.685 178.816 -0.131 25675 239 1 . 1 1 45 45 ALA CA C 45 54.626 54.626 54.456 0.170 25675 240 1 . 1 1 45 45 ALA CB C 45 18.277 18.277 18.812 -0.535 25675 241 1 . 1 1 45 45 ALA H H 45 7.274 7.274 7.369 -0.095 25675 242 1 . 1 1 46 46 GLN N N 46 112.595 112.595 113.954 -1.359 25675 243 1 . 1 1 46 46 GLN HA H 46 4.130 4.130 4.283 -0.153 25675 244 1 . 1 1 46 46 GLN C C 46 174.823 174.823 175.654 -0.831 25675 245 1 . 1 1 46 46 GLN CA C 46 55.250 55.250 55.633 -0.383 25675 246 1 . 1 1 46 46 GLN CB C 46 29.920 29.920 30.532 -0.612 25675 247 1 . 1 1 46 46 GLN H H 46 6.860 6.860 7.608 -0.748 25675 248 1 . 1 1 47 47 PHE N N 47 118.197 118.197 118.883 -0.686 25675 249 1 . 1 1 47 47 PHE HA H 47 4.965 4.965 5.061 -0.096 25675 250 1 . 1 1 47 47 PHE CA C 47 54.741 54.741 53.843 0.898 25675 251 1 . 1 1 47 47 PHE CB C 47 39.614 39.614 38.968 0.646 25675 252 1 . 1 1 47 47 PHE H H 47 8.344 8.344 7.616 0.728 25675 253 1 . 1 1 48 48 PRO HA H 48 4.440 4.440 4.484 -0.044 25675 254 1 . 1 1 48 48 PRO C C 48 178.626 178.626 177.749 0.877 25675 255 1 . 1 1 48 48 PRO CA C 48 64.340 64.340 63.635 0.705 25675 256 1 . 1 1 48 48 PRO CB C 48 31.446 31.446 32.035 -0.589 25675 257 1 . 1 1 49 49 GLY N N 49 111.697 111.697 110.951 0.746 25675 258 1 . 1 1 49 49 GLY C C 49 174.307 174.307 173.995 0.312 25675 259 1 . 1 1 49 49 GLY CA C 49 44.761 44.761 44.935 -0.174 25675 260 1 . 1 1 49 49 GLY H H 49 8.849 8.849 8.721 0.128 25675 261 1 . 1 1 50 50 ALA N N 50 122.602 122.602 121.984 0.617 25675 262 1 . 1 1 50 50 ALA HA H 50 3.828 3.828 4.500 -0.672 25675 263 1 . 1 1 50 50 ALA C C 50 177.534 177.534 176.302 1.232 25675 264 1 . 1 1 50 50 ALA CA C 50 53.406 53.406 52.110 1.296 25675 265 1 . 1 1 50 50 ALA CB C 50 20.390 20.390 18.801 1.589 25675 266 1 . 1 1 50 50 ALA H H 50 8.032 8.032 7.534 0.498 25675 267 1 . 1 1 51 51 CYS N N 51 114.410 114.410 123.563 -9.153 25675 268 1 . 1 1 51 51 CYS HA H 51 4.545 4.545 4.611 -0.067 25675 269 1 . 1 1 51 51 CYS C C 51 174.248 174.248 175.028 -0.780 25675 270 1 . 1 1 51 51 CYS CA C 51 57.407 57.407 59.548 -2.141 25675 271 1 . 1 1 51 51 CYS CB C 51 29.813 29.813 29.693 0.120 25675 272 1 . 1 1 51 51 CYS H H 51 9.094 9.094 8.392 0.702 25675 273 1 . 1 1 52 52 GLY N N 52 106.620 106.620 108.025 -1.405 25675 274 1 . 1 1 52 52 GLY C C 52 170.769 170.769 172.097 -1.328 25675 275 1 . 1 1 52 52 GLY CA C 52 44.961 44.961 44.514 0.447 25675 276 1 . 1 1 52 52 GLY H H 52 7.467 7.467 8.180 -0.713 25675 277 1 . 1 1 53 53 LEU N N 53 117.961 117.961 122.734 -4.773 25675 278 1 . 1 1 53 53 LEU HA H 53 5.345 5.345 5.357 -0.013 25675 279 1 . 1 1 53 53 LEU C C 53 175.563 175.563 176.409 -0.846 25675 280 1 . 1 1 53 53 LEU CA C 53 53.652 53.652 52.696 0.956 25675 281 1 . 1 1 53 53 LEU CB C 53 48.585 48.585 44.189 4.396 25675 282 1 . 1 1 53 53 LEU H H 53 8.900 8.900 8.362 0.538 25675 283 1 . 1 1 54 54 ARG N N 54 119.739 119.739 120.622 -0.883 25675 284 1 . 1 1 54 54 ARG HA H 54 5.611 5.611 4.521 1.090 25675 285 1 . 1 1 54 54 ARG C C 54 173.638 173.638 174.642 -1.004 25675 286 1 . 1 1 54 54 ARG CA C 54 54.447 54.447 54.412 0.035 25675 287 1 . 1 1 54 54 ARG CB C 54 34.538 34.538 34.052 0.486 25675 288 1 . 1 1 54 54 ARG H H 54 9.493 9.493 8.298 1.196 25675 289 1 . 1 1 55 55 TYR N N 55 115.879 115.879 118.527 -2.648 25675 290 1 . 1 1 55 55 TYR HA H 55 4.788 4.788 4.740 0.048 25675 291 1 . 1 1 55 55 TYR C C 55 172.417 172.417 174.719 -2.302 25675 292 1 . 1 1 55 55 TYR CA C 55 55.993 55.993 57.823 -1.830 25675 293 1 . 1 1 55 55 TYR CB C 55 41.100 41.100 40.258 0.842 25675 294 1 . 1 1 55 55 TYR H H 55 8.972 8.972 8.234 0.738 25675 295 1 . 1 1 56 56 ARG N N 56 121.380 121.380 124.065 -2.685 25675 296 1 . 1 1 56 56 ARG HA H 56 4.283 4.283 4.740 -0.457 25675 297 1 . 1 1 56 56 ARG C C 56 175.598 175.598 174.062 1.536 25675 298 1 . 1 1 56 56 ARG CA C 56 55.168 55.168 54.568 0.600 25675 299 1 . 1 1 56 56 ARG CB C 56 30.753 30.753 32.438 -1.685 25675 300 1 . 1 1 56 56 ARG H H 56 8.883 8.883 8.478 0.404 25675 301 1 . 1 1 57 57 ASN N N 57 127.980 127.980 125.144 2.836 25675 302 1 . 1 1 57 57 ASN HA H 57 4.808 4.808 5.233 -0.425 25675 303 1 . 1 1 57 57 ASN CA C 57 51.255 51.255 50.525 0.730 25675 304 1 . 1 1 57 57 ASN CB C 57 39.741 39.741 41.378 -1.637 25675 305 1 . 1 1 57 57 ASN H H 57 8.428 8.428 8.664 -0.236 25675 306 1 . 1 1 58 58 PRO HA H 58 4.293 4.293 4.454 -0.161 25675 307 1 . 1 1 58 58 PRO C C 58 177.241 177.241 177.168 0.073 25675 308 1 . 1 1 58 58 PRO CA C 58 64.592 64.592 64.845 -0.253 25675 309 1 . 1 1 58 58 PRO CB C 58 32.288 32.288 31.980 0.308 25675 310 1 . 1 1 59 59 VAL N N 59 117.104 117.104 113.536 3.568 25675 311 1 . 1 1 59 59 VAL HA H 59 3.909 3.909 4.082 -0.173 25675 312 1 . 1 1 59 59 VAL C C 59 177.077 177.077 176.929 0.148 25675 313 1 . 1 1 59 59 VAL CA C 59 64.722 64.722 64.374 0.348 25675 314 1 . 1 1 59 59 VAL CB C 59 31.961 31.961 31.575 0.386 25675 315 1 . 1 1 59 59 VAL H H 59 7.965 7.965 7.854 0.111 25675 316 1 . 1 1 60 60 SER N N 60 113.119 113.119 114.735 -1.616 25675 317 1 . 1 1 60 60 SER HA H 60 4.427 4.427 4.383 0.044 25675 318 1 . 1 1 60 60 SER C C 60 175.252 175.252 174.443 0.809 25675 319 1 . 1 1 60 60 SER CA C 60 58.314 58.314 59.187 -0.873 25675 320 1 . 1 1 60 60 SER CB C 60 65.134 65.134 63.535 1.599 25675 321 1 . 1 1 60 60 SER H H 60 7.691 7.691 7.706 -0.015 25675 322 1 . 1 1 61 61 GLN N N 61 115.138 115.138 116.267 -1.129 25675 323 1 . 1 1 61 61 GLN HA H 61 3.860 3.860 3.991 -0.131 25675 324 1 . 1 1 61 61 GLN C C 61 174.882 174.882 175.205 -0.323 25675 325 1 . 1 1 61 61 GLN CA C 61 57.336 57.336 57.026 0.310 25675 326 1 . 1 1 61 61 GLN CB C 61 26.000 26.000 26.303 -0.303 25675 327 1 . 1 1 61 61 GLN H H 61 8.309 8.309 8.091 0.218 25675 328 1 . 1 1 62 62 CYS N N 62 116.568 116.568 116.908 -0.340 25675 329 1 . 1 1 62 62 CYS HA H 62 4.532 4.532 4.567 -0.035 25675 330 1 . 1 1 62 62 CYS C C 62 174.242 174.242 174.333 -0.091 25675 331 1 . 1 1 62 62 CYS CA C 62 58.084 58.084 58.118 -0.034 25675 332 1 . 1 1 62 62 CYS CB C 62 29.256 29.256 29.556 -0.300 25675 333 1 . 1 1 62 62 CYS H H 62 7.664 7.664 7.865 -0.201 25675 334 1 . 1 1 63 63 MET N N 63 122.627 122.627 120.386 2.241 25675 335 1 . 1 1 63 63 MET HA H 63 4.095 4.095 4.768 -0.673 25675 336 1 . 1 1 63 63 MET C C 63 176.437 176.437 175.119 1.318 25675 337 1 . 1 1 63 63 MET CA C 63 54.992 54.992 54.747 0.245 25675 338 1 . 1 1 63 63 MET CB C 63 32.828 32.828 32.720 0.108 25675 339 1 . 1 1 63 63 MET H H 63 8.733 8.733 8.362 0.371 25675 340 1 . 1 1 64 64 ARG N N 64 124.300 124.300 120.523 3.777 25675 341 1 . 1 1 64 64 ARG HA H 64 4.467 4.467 4.495 -0.028 25675 342 1 . 1 1 64 64 ARG C C 64 174.618 174.618 175.663 -1.045 25675 343 1 . 1 1 64 64 ARG CA C 64 53.788 53.788 56.340 -2.552 25675 344 1 . 1 1 64 64 ARG CB C 64 33.535 33.535 31.832 1.703 25675 345 1 . 1 1 64 64 ARG H H 64 8.995 8.995 8.041 0.954 25675 346 1 . 1 1 65 65 GLY N N 65 122.716 122.716 106.590 16.126 25675 347 1 . 1 1 65 65 GLY C C 65 174.589 174.589 173.355 1.234 25675 348 1 . 1 1 65 65 GLY H H 65 8.474 8.474 8.298 0.176 25675 349 1 . 1 1 66 66 VAL N N 66 124.050 124.050 120.974 3.076 25675 350 1 . 1 1 66 66 VAL HA H 66 4.195 4.195 3.660 0.535 25675 351 1 . 1 1 66 66 VAL C C 66 176.220 176.220 175.628 0.592 25675 352 1 . 1 1 66 66 VAL CA C 66 62.477 62.477 63.045 -0.568 25675 353 1 . 1 1 66 66 VAL CB C 66 32.677 32.677 32.045 0.632 25675 354 1 . 1 1 66 66 VAL H H 66 8.313 8.313 7.718 0.595 25675 355 1 . 1 1 67 67 ARG N N 67 131.490 131.490 128.119 3.371 25675 356 1 . 1 1 67 67 ARG HA H 67 4.048 4.048 4.523 -0.475 25675 357 1 . 1 1 67 67 ARG C C 67 173.497 173.497 174.370 -0.873 25675 358 1 . 1 1 67 67 ARG CA C 67 58.376 58.376 55.023 3.353 25675 359 1 . 1 1 67 67 ARG CB C 67 30.932 30.932 31.753 -0.821 25675 360 1 . 1 1 67 67 ARG H H 67 9.314 9.314 7.922 1.392 25675 361 1 . 1 1 68 68 LEU N N 68 130.230 130.230 126.793 3.437 25675 362 1 . 1 1 68 68 LEU HA H 68 5.204 5.204 4.620 0.584 25675 363 1 . 1 1 68 68 LEU C C 68 175.950 175.950 174.864 1.086 25675 364 1 . 1 1 68 68 LEU CA C 68 53.814 53.814 54.010 -0.196 25675 365 1 . 1 1 68 68 LEU CB C 68 44.093 44.093 43.601 0.492 25675 366 1 . 1 1 68 68 LEU H H 68 8.299 8.299 8.590 -0.291 25675 367 1 . 1 1 69 69 VAL N N 69 127.090 127.090 126.990 0.100 25675 368 1 . 1 1 69 69 VAL HA H 69 4.327 4.327 4.402 -0.075 25675 369 1 . 1 1 69 69 VAL C C 69 176.155 176.155 175.202 0.954 25675 370 1 . 1 1 69 69 VAL CA C 69 61.354 61.354 61.244 0.110 25675 371 1 . 1 1 69 69 VAL CB C 69 35.105 35.105 34.124 0.981 25675 372 1 . 1 1 69 69 VAL H H 69 9.044 9.044 8.486 0.558 25675 373 1 . 1 1 70 70 GLU N N 70 128.672 128.672 125.839 2.833 25675 374 1 . 1 1 70 70 GLU HA H 70 3.916 3.916 3.987 -0.071 25675 375 1 . 1 1 70 70 GLU C C 70 175.891 175.891 176.367 -0.476 25675 376 1 . 1 1 70 70 GLU CA C 70 56.830 56.830 57.341 -0.510 25675 377 1 . 1 1 70 70 GLU CB C 70 27.190 27.190 27.976 -0.786 25675 378 1 . 1 1 70 70 GLU H H 70 9.646 9.646 9.282 0.364 25675 379 1 . 1 1 71 71 GLY N N 71 117.967 117.967 102.385 15.582 25675 380 1 . 1 1 71 71 GLY C C 71 173.327 173.327 174.074 -0.747 25675 381 1 . 1 1 71 71 GLY CA C 71 46.048 46.048 45.332 0.716 25675 382 1 . 1 1 71 71 GLY H H 71 8.417 8.417 8.237 0.180 25675 383 1 . 1 1 72 72 ILE N N 72 123.402 123.402 123.695 -0.293 25675 384 1 . 1 1 72 72 ILE HA H 72 4.237 4.237 4.334 -0.097 25675 385 1 . 1 1 72 72 ILE C C 72 174.882 174.882 176.032 -1.150 25675 386 1 . 1 1 72 72 ILE CA C 72 61.428 61.428 61.844 -0.416 25675 387 1 . 1 1 72 72 ILE CB C 72 38.851 38.851 37.921 0.930 25675 388 1 . 1 1 72 72 ILE H H 72 8.124 8.124 7.792 0.332 25675 389 1 . 1 1 73 73 LEU N N 73 129.380 129.380 130.173 -0.793 25675 390 1 . 1 1 73 73 LEU HA H 73 5.199 5.199 4.869 0.330 25675 391 1 . 1 1 73 73 LEU C C 73 175.932 175.932 176.915 -0.983 25675 392 1 . 1 1 73 73 LEU CA C 73 54.245 54.245 53.970 0.275 25675 393 1 . 1 1 73 73 LEU CB C 73 41.882 41.882 40.030 1.852 25675 394 1 . 1 1 73 73 LEU H H 73 9.353 9.353 8.616 0.737 25675 395 1 . 1 1 74 74 HIS N N 74 120.040 120.040 126.611 -6.571 25675 396 1 . 1 1 74 74 HIS HA H 74 4.611 4.611 4.704 -0.093 25675 397 1 . 1 1 74 74 HIS C C 74 172.371 172.371 173.253 -0.882 25675 398 1 . 1 1 74 74 HIS CA C 74 53.825 53.825 54.777 -0.952 25675 399 1 . 1 1 74 74 HIS CB C 74 30.851 30.851 32.290 -1.439 25675 400 1 . 1 1 74 74 HIS H H 74 8.541 8.541 8.860 -0.319 25675 401 1 . 1 1 75 75 ALA N N 75 125.980 125.980 129.092 -3.112 25675 402 1 . 1 1 75 75 ALA HA H 75 1.749 1.749 3.891 -2.142 25675 403 1 . 1 1 75 75 ALA CA C 75 49.937 49.937 48.779 1.158 25675 404 1 . 1 1 75 75 ALA CB C 75 15.948 15.948 17.824 -1.876 25675 405 1 . 1 1 75 75 ALA H H 75 8.413 8.413 8.160 0.253 25675 406 1 . 1 1 76 76 PRO HA H 76 4.282 4.282 4.220 0.062 25675 407 1 . 1 1 76 76 PRO C C 76 176.185 176.185 176.101 0.084 25675 408 1 . 1 1 76 76 PRO CA C 76 62.281 62.281 61.860 0.421 25675 409 1 . 1 1 76 76 PRO CB C 76 32.272 32.272 32.376 -0.104 25675 410 1 . 1 1 77 77 ASP N N 77 122.297 122.297 116.799 5.498 25675 411 1 . 1 1 77 77 ASP HA H 77 4.090 4.090 4.415 -0.325 25675 412 1 . 1 1 77 77 ASP C C 77 176.977 176.977 176.604 0.373 25675 413 1 . 1 1 77 77 ASP CA C 77 57.504 57.504 55.413 2.091 25675 414 1 . 1 1 77 77 ASP CB C 77 39.910 39.910 40.297 -0.387 25675 415 1 . 1 1 77 77 ASP H H 77 8.454 8.454 8.325 0.129 25675 416 1 . 1 1 78 78 ALA N N 78 118.586 118.586 121.157 -2.571 25675 417 1 . 1 1 78 78 ALA HA H 78 4.249 4.249 4.342 -0.092 25675 418 1 . 1 1 78 78 ALA C C 78 177.458 177.458 177.524 -0.066 25675 419 1 . 1 1 78 78 ALA CA C 78 52.724 52.724 52.385 0.339 25675 420 1 . 1 1 78 78 ALA CB C 78 18.746 18.746 20.032 -1.286 25675 421 1 . 1 1 78 78 ALA H H 78 8.032 8.032 7.627 0.405 25675 422 1 . 1 1 79 79 GLY N N 79 107.830 107.830 105.460 2.370 25675 423 1 . 1 1 79 79 GLY C C 79 172.928 172.928 173.755 -0.827 25675 424 1 . 1 1 79 79 GLY CA C 79 43.341 43.341 44.270 -0.929 25675 425 1 . 1 1 79 79 GLY H H 79 7.902 7.902 7.294 0.608 25675 426 1 . 1 1 80 80 TRP N N 80 119.474 119.474 122.837 -3.363 25675 427 1 . 1 1 80 80 TRP HA H 80 4.535 4.535 4.818 -0.283 25675 428 1 . 1 1 80 80 TRP C C 80 180.190 180.190 177.311 2.879 25675 429 1 . 1 1 80 80 TRP CA C 80 58.670 58.670 58.075 0.595 25675 430 1 . 1 1 80 80 TRP CB C 80 31.086 31.086 30.425 0.661 25675 431 1 . 1 1 80 80 TRP H H 80 8.389 8.389 8.394 -0.005 25675 432 1 . 1 1 81 81 GLY N N 81 103.130 103.130 104.960 -1.830 25675 433 1 . 1 1 81 81 GLY C C 81 174.110 174.110 172.644 1.466 25675 434 1 . 1 1 81 81 GLY CA C 81 45.879 45.879 44.899 0.980 25675 435 1 . 1 1 81 81 GLY H H 81 8.519 8.519 8.488 0.031 25675 436 1 . 1 1 82 82 ASN N N 82 120.652 120.652 118.651 2.001 25675 437 1 . 1 1 82 82 ASN HA H 82 5.076 5.076 5.391 -0.315 25675 438 1 . 1 1 82 82 ASN C C 82 175.211 175.211 175.120 0.091 25675 439 1 . 1 1 82 82 ASN CA C 82 51.985 51.985 52.303 -0.318 25675 440 1 . 1 1 82 82 ASN CB C 82 38.657 38.657 38.769 -0.112 25675 441 1 . 1 1 82 82 ASN H H 82 8.800 8.800 8.518 0.282 25675 442 1 . 1 1 83 83 LEU N N 83 118.129 118.129 116.598 1.531 25675 443 1 . 1 1 83 83 LEU HA H 83 4.129 4.129 4.894 -0.765 25675 444 1 . 1 1 83 83 LEU C C 83 174.442 174.442 175.440 -0.998 25675 445 1 . 1 1 83 83 LEU CA C 83 54.799 54.799 53.424 1.375 25675 446 1 . 1 1 83 83 LEU CB C 83 41.857 41.857 43.023 -1.166 25675 447 1 . 1 1 83 83 LEU H H 83 6.883 6.883 7.650 -0.767 25675 448 1 . 1 1 84 84 VAL N N 84 118.316 118.316 117.274 1.042 25675 449 1 . 1 1 84 84 VAL HA H 84 4.055 4.055 4.411 -0.356 25675 450 1 . 1 1 84 84 VAL C C 84 174.630 174.630 174.735 -0.105 25675 451 1 . 1 1 84 84 VAL CA C 84 62.443 62.443 61.432 1.011 25675 452 1 . 1 1 84 84 VAL CB C 84 31.958 31.958 32.930 -0.972 25675 453 1 . 1 1 84 84 VAL H H 84 7.835 7.835 7.789 0.046 25675 454 1 . 1 1 85 85 TYR N N 85 128.110 128.110 125.328 2.782 25675 455 1 . 1 1 85 85 TYR HA H 85 4.697 4.697 5.425 -0.728 25675 456 1 . 1 1 85 85 TYR C C 85 174.313 174.313 174.065 0.248 25675 457 1 . 1 1 85 85 TYR CA C 85 58.121 58.121 54.637 3.484 25675 458 1 . 1 1 85 85 TYR CB C 85 40.540 40.540 40.772 -0.232 25675 459 1 . 1 1 85 85 TYR H H 85 8.886 8.886 8.890 -0.004 25675 460 1 . 1 1 86 86 VAL N N 86 122.593 122.593 123.544 -0.951 25675 461 1 . 1 1 86 86 VAL HA H 86 4.755 4.755 3.970 0.785 25675 462 1 . 1 1 86 86 VAL C C 86 176.531 176.531 176.010 0.521 25675 463 1 . 1 1 86 86 VAL CA C 86 59.999 59.999 60.582 -0.583 25675 464 1 . 1 1 86 86 VAL CB C 86 33.419 33.419 32.785 0.634 25675 465 1 . 1 1 86 86 VAL H H 86 9.473 9.473 7.854 1.619 25675 466 1 . 1 1 87 87 VAL N N 87 124.298 124.298 125.445 -1.147 25675 467 1 . 1 1 87 87 VAL HA H 87 3.787 3.787 4.074 -0.287 25675 468 1 . 1 1 87 87 VAL C C 87 174.735 174.735 175.173 -0.438 25675 469 1 . 1 1 87 87 VAL CA C 87 63.726 63.726 62.538 1.188 25675 470 1 . 1 1 87 87 VAL CB C 87 32.723 32.723 31.987 0.736 25675 471 1 . 1 1 87 87 VAL H H 87 7.864 7.864 8.155 -0.291 25675 472 1 . 1 1 88 88 ASN N N 88 123.146 123.146 124.915 -1.770 25675 473 1 . 1 1 88 88 ASN HA H 88 4.774 4.774 4.831 -0.057 25675 474 1 . 1 1 88 88 ASN C C 88 172.900 172.900 173.505 -0.605 25675 475 1 . 1 1 88 88 ASN CA C 88 51.332 51.332 52.427 -1.095 25675 476 1 . 1 1 88 88 ASN CB C 88 40.773 40.773 40.795 -0.022 25675 477 1 . 1 1 88 88 ASN H H 88 7.786 7.786 8.147 -0.361 25675 stop_ save_