data_25927 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25927 _Entry.PDB_ID 2NA4 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 25927 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 VAL N N 2 119.413 119.413 120.250 -0.837 25927 2 1 1 . 1 1 2 2 VAL HA H 2 4.132 4.132 3.903 0.229 25927 3 1 1 . 1 1 2 2 VAL C C 2 175.957 175.957 175.445 0.512 25927 4 1 1 . 1 1 2 2 VAL CA C 2 62.517 62.517 64.726 -2.209 25927 5 1 1 . 1 1 2 2 VAL CB C 2 32.676 32.676 30.678 1.998 25927 6 1 1 . 1 1 2 2 VAL H H 2 8.453 8.453 8.696 -0.243 25927 7 1 1 . 1 1 3 3 GLU N N 3 125.255 125.255 120.615 4.640 25927 8 1 1 . 1 1 3 3 GLU HA H 3 4.348 4.348 5.012 -0.664 25927 9 1 1 . 1 1 3 3 GLU C C 3 176.154 176.154 174.894 1.260 25927 10 1 1 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.303 1.166 25927 11 1 1 . 1 1 3 3 GLU CB C 3 30.382 30.382 32.233 -1.851 25927 12 1 1 . 1 1 3 3 GLU H H 3 8.587 8.587 8.197 0.390 25927 13 1 1 . 1 1 4 4 VAL N N 4 121.132 121.132 123.321 -2.189 25927 14 1 1 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.266 -0.145 25927 15 1 1 . 1 1 4 4 VAL C C 4 175.762 175.762 175.256 0.506 25927 16 1 1 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.642 0.386 25927 17 1 1 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.228 -1.172 25927 18 1 1 . 1 1 4 4 VAL H H 4 8.172 8.172 8.302 -0.130 25927 19 1 1 . 1 1 5 5 GLU N N 5 125.223 125.223 124.479 0.744 25927 20 1 1 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.251 0.073 25927 21 1 1 . 1 1 5 5 GLU C C 5 176.006 176.006 176.213 -0.207 25927 22 1 1 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.605 -0.216 25927 23 1 1 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.050 2.369 25927 24 1 1 . 1 1 5 5 GLU H H 5 8.472 8.472 8.731 -0.259 25927 25 1 1 . 1 1 6 6 VAL N N 6 123.435 123.435 121.104 2.331 25927 26 1 1 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.941 0.495 25927 27 1 1 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.597 -4.851 25927 28 1 1 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.755 1.983 25927 29 1 1 . 1 1 6 6 VAL H H 6 8.288 8.288 8.045 0.243 25927 30 1 1 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.593 -0.157 25927 31 1 1 . 1 1 7 7 PRO C C 7 177.461 177.461 176.498 0.963 25927 32 1 1 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.339 1.006 25927 33 1 1 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.743 -0.439 25927 34 1 1 . 1 1 8 8 GLY N N 8 108.925 108.925 106.430 2.495 25927 35 1 1 . 1 1 8 8 GLY C C 8 173.995 173.995 173.287 0.708 25927 36 1 1 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.918 0.508 25927 37 1 1 . 1 1 8 8 GLY H H 8 8.334 8.334 8.219 0.115 25927 38 1 1 . 1 1 9 9 LEU N N 9 121.559 121.559 121.177 0.382 25927 39 1 1 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.750 -0.290 25927 40 1 1 . 1 1 9 9 LEU C C 9 176.870 176.870 175.750 1.120 25927 41 1 1 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.400 1.222 25927 42 1 1 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.176 0.872 25927 43 1 1 . 1 1 9 9 LEU H H 9 8.150 8.150 8.519 -0.369 25927 44 1 1 . 1 1 10 10 LEU N N 10 122.690 122.690 123.635 -0.945 25927 45 1 1 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.456 0.705 25927 46 1 1 . 1 1 10 10 LEU C C 10 177.427 177.427 177.043 0.384 25927 47 1 1 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.469 -1.607 25927 48 1 1 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.308 2.340 25927 49 1 1 . 1 1 10 10 LEU H H 10 8.348 8.348 7.941 0.407 25927 50 1 1 . 1 1 11 11 THR N N 11 124.118 124.118 121.097 3.021 25927 51 1 1 . 1 1 11 11 THR HA H 11 4.295 4.295 4.437 -0.142 25927 52 1 1 . 1 1 11 11 THR C C 11 172.853 172.853 173.913 -1.060 25927 53 1 1 . 1 1 11 11 THR CA C 11 63.577 63.577 61.263 2.314 25927 54 1 1 . 1 1 11 11 THR CB C 11 69.325 69.325 70.760 -1.435 25927 55 1 1 . 1 1 11 11 THR H H 11 9.186 9.186 8.229 0.957 25927 56 1 1 . 1 1 12 12 ASP N N 12 127.226 127.226 125.696 1.530 25927 57 1 1 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.826 0.471 25927 58 1 1 . 1 1 12 12 ASP C C 12 176.060 176.060 175.838 0.222 25927 59 1 1 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.528 0.251 25927 60 1 1 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.946 1.098 25927 61 1 1 . 1 1 12 12 ASP H H 12 8.880 8.880 8.413 0.467 25927 62 1 1 . 1 1 13 13 HIS N N 13 127.146 127.146 121.920 5.226 25927 63 1 1 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.498 0.810 25927 64 1 1 . 1 1 13 13 HIS C C 13 175.365 175.365 173.857 1.508 25927 65 1 1 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.450 -2.292 25927 66 1 1 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.788 1.166 25927 67 1 1 . 1 1 13 13 HIS H H 13 8.867 8.867 7.905 0.962 25927 68 1 1 . 1 1 14 14 THR N N 14 112.885 112.885 110.091 2.794 25927 69 1 1 . 1 1 14 14 THR HA H 14 4.522 4.522 4.656 -0.134 25927 70 1 1 . 1 1 14 14 THR C C 14 174.626 174.626 174.318 0.308 25927 71 1 1 . 1 1 14 14 THR CA C 14 63.245 63.245 60.665 2.580 25927 72 1 1 . 1 1 14 14 THR CB C 14 70.178 70.178 70.956 -0.778 25927 73 1 1 . 1 1 14 14 THR H H 14 8.583 8.583 7.737 0.846 25927 74 1 1 . 1 1 15 15 VAL N N 15 113.207 113.207 119.970 -6.763 25927 75 1 1 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.567 0.078 25927 76 1 1 . 1 1 15 15 VAL C C 15 175.216 175.216 174.479 0.737 25927 77 1 1 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.313 0.950 25927 78 1 1 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.807 2.573 25927 79 1 1 . 1 1 15 15 VAL H H 15 9.104 9.104 8.324 0.780 25927 80 1 1 . 1 1 16 16 SER N N 16 122.970 122.970 115.048 7.922 25927 81 1 1 . 1 1 16 16 SER HA H 16 4.196 4.196 4.694 -0.498 25927 82 1 1 . 1 1 16 16 SER C C 16 174.515 174.515 175.742 -1.227 25927 83 1 1 . 1 1 16 16 SER CA C 16 57.126 57.126 55.797 1.329 25927 84 1 1 . 1 1 16 16 SER CB C 16 67.073 67.073 65.330 1.743 25927 85 1 1 . 1 1 16 16 SER H H 16 9.340 9.340 7.680 1.660 25927 86 1 1 . 1 1 17 17 SER N N 17 116.643 116.643 121.315 -4.672 25927 87 1 1 . 1 1 17 17 SER HA H 17 4.157 4.157 4.293 -0.136 25927 88 1 1 . 1 1 17 17 SER C C 17 176.576 176.576 175.305 1.271 25927 89 1 1 . 1 1 17 17 SER CA C 17 62.451 62.451 61.156 1.295 25927 90 1 1 . 1 1 17 17 SER CB C 17 62.539 62.539 63.160 -0.621 25927 91 1 1 . 1 1 17 17 SER H H 17 8.926 8.926 8.836 0.090 25927 92 1 1 . 1 1 18 18 ILE N N 18 120.198 120.198 115.328 4.870 25927 93 1 1 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.448 -0.377 25927 94 1 1 . 1 1 18 18 ILE C C 18 177.925 177.925 177.646 0.279 25927 95 1 1 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.287 2.094 25927 96 1 1 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.191 -0.611 25927 97 1 1 . 1 1 18 18 ILE H H 18 7.848 7.848 7.649 0.199 25927 98 1 1 . 1 1 19 19 GLY N N 19 111.905 111.905 108.893 3.012 25927 99 1 1 . 1 1 19 19 GLY C C 19 176.153 176.153 176.209 -0.056 25927 100 1 1 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.289 -0.449 25927 101 1 1 . 1 1 19 19 GLY H H 19 7.921 7.921 8.143 -0.222 25927 102 1 1 . 1 1 20 20 HIS N N 20 120.808 120.808 121.491 -0.683 25927 103 1 1 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.558 0.204 25927 104 1 1 . 1 1 20 20 HIS C C 20 178.606 178.606 177.279 1.327 25927 105 1 1 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.447 -1.589 25927 106 1 1 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.239 -2.524 25927 107 1 1 . 1 1 20 20 HIS H H 20 8.842 8.842 8.622 0.220 25927 108 1 1 . 1 1 21 21 ASP N N 21 121.572 121.572 120.263 1.309 25927 109 1 1 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.508 0.026 25927 110 1 1 . 1 1 21 21 ASP C C 21 179.630 179.630 178.326 1.304 25927 111 1 1 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.836 -0.331 25927 112 1 1 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.859 -1.094 25927 113 1 1 . 1 1 21 21 ASP H H 21 8.592 8.592 7.754 0.838 25927 114 1 1 . 1 1 22 22 PHE N N 22 123.889 123.889 122.707 1.182 25927 115 1 1 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.126 -0.031 25927 116 1 1 . 1 1 22 22 PHE C C 22 175.647 175.647 176.678 -1.031 25927 117 1 1 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.033 0.895 25927 118 1 1 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.331 -0.184 25927 119 1 1 . 1 1 22 22 PHE H H 22 8.790 8.790 8.832 -0.042 25927 120 1 1 . 1 1 23 23 TYR N N 23 119.855 119.855 119.894 -0.039 25927 121 1 1 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.991 -0.210 25927 122 1 1 . 1 1 23 23 TYR C C 23 177.585 177.585 177.350 0.235 25927 123 1 1 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.818 0.155 25927 124 1 1 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.320 0.059 25927 125 1 1 . 1 1 23 23 TYR H H 23 9.008 9.008 7.989 1.019 25927 126 1 1 . 1 1 24 24 ARG N N 24 120.673 120.673 118.479 2.194 25927 127 1 1 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.844 -0.126 25927 128 1 1 . 1 1 24 24 ARG C C 24 177.149 177.149 178.627 -1.478 25927 129 1 1 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.064 0.296 25927 130 1 1 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.282 0.152 25927 131 1 1 . 1 1 24 24 ARG H H 24 8.576 8.576 7.687 0.889 25927 132 1 1 . 1 1 25 25 ALA N N 25 120.718 120.718 122.960 -2.242 25927 133 1 1 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.094 0.017 25927 134 1 1 . 1 1 25 25 ALA C C 25 179.502 179.502 179.172 0.330 25927 135 1 1 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.856 -0.046 25927 136 1 1 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.546 0.844 25927 137 1 1 . 1 1 25 25 ALA H H 25 8.080 8.080 8.473 -0.393 25927 138 1 1 . 1 1 26 26 PHE N N 26 118.193 118.193 119.174 -0.981 25927 139 1 1 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.876 -0.378 25927 140 1 1 . 1 1 26 26 PHE C C 26 177.120 177.120 176.784 0.336 25927 141 1 1 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.577 0.720 25927 142 1 1 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.018 0.889 25927 143 1 1 . 1 1 26 26 PHE H H 26 8.467 8.467 8.193 0.274 25927 144 1 1 . 1 1 27 27 SER N N 27 112.572 112.572 113.962 -1.390 25927 145 1 1 . 1 1 27 27 SER HA H 27 3.845 3.845 4.239 -0.394 25927 146 1 1 . 1 1 27 27 SER C C 27 176.828 176.828 176.499 0.329 25927 147 1 1 . 1 1 27 27 SER CA C 27 61.656 61.656 61.015 0.641 25927 148 1 1 . 1 1 27 27 SER CB C 27 62.952 62.952 62.878 0.074 25927 149 1 1 . 1 1 27 27 SER H H 27 8.477 8.477 7.989 0.488 25927 150 1 1 . 1 1 28 28 ASP N N 28 119.022 119.022 121.557 -2.535 25927 151 1 1 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.487 -0.064 25927 152 1 1 . 1 1 28 28 ASP C C 28 177.325 177.325 177.345 -0.020 25927 153 1 1 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.415 0.242 25927 154 1 1 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.934 0.341 25927 155 1 1 . 1 1 28 28 ASP H H 28 8.019 8.019 8.178 -0.159 25927 156 1 1 . 1 1 29 29 LYS N N 29 115.330 115.330 115.269 0.061 25927 157 1 1 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.320 0.039 25927 158 1 1 . 1 1 29 29 LYS C C 29 175.910 175.910 176.358 -0.448 25927 159 1 1 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.260 -0.096 25927 160 1 1 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.762 2.548 25927 161 1 1 . 1 1 29 29 LYS H H 29 6.910 6.910 7.490 -0.580 25927 162 1 1 . 1 1 30 30 TRP N N 30 122.847 122.847 124.168 -1.321 25927 163 1 1 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.061 0.116 25927 164 1 1 . 1 1 30 30 TRP C C 30 175.188 175.188 175.289 -0.101 25927 165 1 1 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.687 -0.646 25927 166 1 1 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.830 0.090 25927 167 1 1 . 1 1 30 30 TRP H H 30 7.638 7.638 7.620 0.018 25927 168 1 1 . 1 1 31 31 GLU N N 31 128.182 128.182 124.494 3.688 25927 169 1 1 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.029 0.130 25927 170 1 1 . 1 1 31 31 GLU C C 31 173.960 173.960 174.131 -0.171 25927 171 1 1 . 1 1 31 31 GLU CA C 31 55.114 55.114 54.777 0.337 25927 172 1 1 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.962 -0.878 25927 173 1 1 . 1 1 31 31 GLU H H 31 7.426 7.426 7.306 0.120 25927 174 1 1 . 1 1 32 32 SER N N 32 115.672 115.672 117.316 -1.644 25927 175 1 1 . 1 1 32 32 SER HA H 32 4.100 4.100 4.547 -0.447 25927 176 1 1 . 1 1 32 32 SER C C 32 173.864 173.864 173.723 0.141 25927 177 1 1 . 1 1 32 32 SER CA C 32 57.344 57.344 57.452 -0.108 25927 178 1 1 . 1 1 32 32 SER CB C 32 64.220 64.220 65.239 -1.019 25927 179 1 1 . 1 1 32 32 SER H H 32 7.276 7.276 8.083 -0.807 25927 180 1 1 . 1 1 33 33 ASP N N 33 123.759 123.759 121.411 2.348 25927 181 1 1 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.539 0.084 25927 182 1 1 . 1 1 33 33 ASP C C 33 176.175 176.175 176.387 -0.212 25927 183 1 1 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.871 -0.742 25927 184 1 1 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.511 -0.901 25927 185 1 1 . 1 1 33 33 ASP H H 33 8.429 8.429 8.612 -0.183 25927 186 1 1 . 1 1 34 34 TYR N N 34 122.283 122.283 117.819 4.464 25927 187 1 1 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.450 0.124 25927 188 1 1 . 1 1 34 34 TYR C C 34 177.025 177.025 175.789 1.236 25927 189 1 1 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.296 1.521 25927 190 1 1 . 1 1 34 34 TYR CB C 34 39.134 39.134 38.867 0.267 25927 191 1 1 . 1 1 34 34 TYR H H 34 8.649 8.649 7.706 0.943 25927 192 1 1 . 1 1 35 35 THR N N 35 116.852 116.852 112.422 4.430 25927 193 1 1 . 1 1 35 35 THR HA H 35 4.311 4.311 4.138 0.173 25927 194 1 1 . 1 1 35 35 THR C C 35 174.704 174.704 174.088 0.616 25927 195 1 1 . 1 1 35 35 THR CA C 35 61.364 61.364 63.164 -1.800 25927 196 1 1 . 1 1 35 35 THR CB C 35 69.454 69.454 68.801 0.653 25927 197 1 1 . 1 1 35 35 THR H H 35 8.067 8.067 8.411 -0.344 25927 198 1 1 . 1 1 36 36 GLY N N 36 107.698 107.698 107.242 0.456 25927 199 1 1 . 1 1 36 36 GLY C C 36 171.455 171.455 174.206 -2.751 25927 200 1 1 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.053 -0.535 25927 201 1 1 . 1 1 36 36 GLY H H 36 5.732 5.732 6.530 -0.798 25927 202 1 1 . 1 1 37 37 ASN N N 37 117.424 117.424 118.938 -1.514 25927 203 1 1 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.719 0.266 25927 204 1 1 . 1 1 37 37 ASN C C 37 175.393 175.393 173.669 1.724 25927 205 1 1 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.273 0.560 25927 206 1 1 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.251 3.262 25927 207 1 1 . 1 1 37 37 ASN H H 37 8.346 8.346 8.495 -0.149 25927 208 1 1 . 1 1 38 38 LEU N N 38 126.809 126.809 118.600 8.209 25927 209 1 1 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.648 -0.650 25927 210 1 1 . 1 1 38 38 LEU C C 38 175.770 175.770 175.360 0.410 25927 211 1 1 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.840 2.174 25927 212 1 1 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.576 -0.510 25927 213 1 1 . 1 1 38 38 LEU H H 38 8.469 8.469 7.774 0.695 25927 214 1 1 . 1 1 39 39 THR N N 39 119.369 119.369 114.235 5.134 25927 215 1 1 . 1 1 39 39 THR HA H 39 4.799 4.799 4.913 -0.114 25927 216 1 1 . 1 1 39 39 THR C C 39 172.224 172.224 172.692 -0.468 25927 217 1 1 . 1 1 39 39 THR CA C 39 61.958 61.958 60.560 1.398 25927 218 1 1 . 1 1 39 39 THR CB C 39 70.327 70.327 72.109 -1.782 25927 219 1 1 . 1 1 39 39 THR H H 39 8.849 8.849 8.896 -0.047 25927 220 1 1 . 1 1 40 40 ILE N N 40 125.490 125.490 123.983 1.507 25927 221 1 1 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.368 0.152 25927 222 1 1 . 1 1 40 40 ILE C C 40 173.125 173.125 173.739 -0.614 25927 223 1 1 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.347 0.834 25927 224 1 1 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.131 -2.681 25927 225 1 1 . 1 1 40 40 ILE H H 40 8.562 8.562 7.922 0.640 25927 226 1 1 . 1 1 41 41 ASN N N 41 124.656 124.656 124.160 0.496 25927 227 1 1 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.702 -0.802 25927 228 1 1 . 1 1 41 41 ASN C C 41 173.445 173.445 174.036 -0.591 25927 229 1 1 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.599 0.480 25927 230 1 1 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.381 -0.265 25927 231 1 1 . 1 1 41 41 ASN H H 41 9.173 9.173 8.798 0.375 25927 232 1 1 . 1 1 42 42 GLU N N 42 120.095 120.095 121.943 -1.848 25927 233 1 1 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.325 0.060 25927 234 1 1 . 1 1 42 42 GLU C C 42 173.971 173.971 175.224 -1.253 25927 235 1 1 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.539 -0.409 25927 236 1 1 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.634 1.823 25927 237 1 1 . 1 1 42 42 GLU H H 42 7.741 7.741 8.228 -0.487 25927 238 1 1 . 1 1 43 43 ARG N N 43 127.178 127.178 121.479 5.699 25927 239 1 1 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.837 0.196 25927 240 1 1 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.430 0.265 25927 241 1 1 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.712 -0.224 25927 242 1 1 . 1 1 43 43 ARG H H 43 9.039 9.039 8.708 0.331 25927 243 1 1 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.606 0.121 25927 244 1 1 . 1 1 44 44 PRO C C 44 176.335 176.335 175.978 0.357 25927 245 1 1 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.786 0.556 25927 246 1 1 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.073 0.601 25927 247 1 1 . 1 1 45 45 SER N N 45 117.089 117.089 122.604 -5.515 25927 248 1 1 . 1 1 45 45 SER HA H 45 4.837 4.837 4.724 0.113 25927 249 1 1 . 1 1 45 45 SER C C 45 174.334 174.334 174.612 -0.278 25927 250 1 1 . 1 1 45 45 SER CA C 45 56.688 56.688 57.581 -0.893 25927 251 1 1 . 1 1 45 45 SER CB C 45 64.628 64.628 64.290 0.338 25927 252 1 1 . 1 1 45 45 SER H H 45 8.497 8.497 8.933 -0.436 25927 253 1 1 . 1 1 46 46 ALA N N 46 126.901 126.901 127.972 -1.071 25927 254 1 1 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.099 0.123 25927 255 1 1 . 1 1 46 46 ALA C C 46 178.171 178.171 178.626 -0.455 25927 256 1 1 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.520 -0.432 25927 257 1 1 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.720 -0.128 25927 258 1 1 . 1 1 46 46 ALA H H 46 8.780 8.780 8.765 0.015 25927 259 1 1 . 1 1 47 47 ARG N N 47 117.860 117.860 118.540 -0.680 25927 260 1 1 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.190 0.220 25927 261 1 1 . 1 1 47 47 ARG C C 47 175.674 175.674 176.837 -1.163 25927 262 1 1 . 1 1 47 47 ARG CA C 47 56.252 56.252 57.463 -1.211 25927 263 1 1 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.905 0.681 25927 264 1 1 . 1 1 47 47 ARG H H 47 8.381 8.381 8.316 0.065 25927 265 1 1 . 1 1 48 48 ALA N N 48 121.099 121.099 117.985 3.114 25927 266 1 1 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.738 -0.319 25927 267 1 1 . 1 1 48 48 ALA C C 48 176.874 176.874 176.583 0.291 25927 268 1 1 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.225 1.043 25927 269 1 1 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.262 -1.481 25927 270 1 1 . 1 1 48 48 ALA H H 48 8.012 8.012 8.238 -0.226 25927 271 1 1 . 1 1 49 49 GLY N N 49 106.126 106.126 107.186 -1.060 25927 272 1 1 . 1 1 49 49 GLY C C 49 172.803 172.803 172.073 0.730 25927 273 1 1 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.971 -1.481 25927 274 1 1 . 1 1 49 49 GLY H H 49 7.946 7.946 8.528 -0.582 25927 275 1 1 . 1 1 50 50 SER N N 50 113.972 113.972 116.076 -2.104 25927 276 1 1 . 1 1 50 50 SER HA H 50 4.736 4.736 5.128 -0.392 25927 277 1 1 . 1 1 50 50 SER C C 50 171.367 171.367 172.579 -1.212 25927 278 1 1 . 1 1 50 50 SER CA C 50 57.165 57.165 56.165 1.000 25927 279 1 1 . 1 1 50 50 SER CB C 50 66.797 66.797 66.261 0.536 25927 280 1 1 . 1 1 50 50 SER H H 50 7.631 7.631 8.172 -0.541 25927 281 1 1 . 1 1 51 51 TRP N N 51 121.787 121.787 123.392 -1.605 25927 282 1 1 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.190 0.666 25927 283 1 1 . 1 1 51 51 TRP C C 51 176.055 176.055 175.834 0.221 25927 284 1 1 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.303 -0.510 25927 285 1 1 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.488 0.046 25927 286 1 1 . 1 1 51 51 TRP H H 51 8.588 8.588 8.590 -0.002 25927 287 1 1 . 1 1 52 52 ILE N N 52 126.898 126.898 124.818 2.080 25927 288 1 1 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.819 0.252 25927 289 1 1 . 1 1 52 52 ILE C C 52 175.754 175.754 175.135 0.619 25927 290 1 1 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.557 -1.824 25927 291 1 1 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.255 0.100 25927 292 1 1 . 1 1 52 52 ILE H H 52 8.963 8.963 9.080 -0.117 25927 293 1 1 . 1 1 53 53 THR N N 53 116.271 116.271 123.713 -7.442 25927 294 1 1 . 1 1 53 53 THR HA H 53 5.095 5.095 4.790 0.305 25927 295 1 1 . 1 1 53 53 THR C C 53 173.382 173.382 172.833 0.549 25927 296 1 1 . 1 1 53 53 THR CA C 53 59.290 59.290 61.770 -2.480 25927 297 1 1 . 1 1 53 53 THR CB C 53 71.819 71.819 70.897 0.922 25927 298 1 1 . 1 1 53 53 THR H H 53 8.371 8.371 9.150 -0.779 25927 299 1 1 . 1 1 54 54 ILE N N 54 124.947 124.947 129.694 -4.747 25927 300 1 1 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.097 0.086 25927 301 1 1 . 1 1 54 54 ILE C C 54 175.952 175.952 173.894 2.058 25927 302 1 1 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.322 2.272 25927 303 1 1 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.839 -2.222 25927 304 1 1 . 1 1 54 54 ILE H H 54 9.056 9.056 9.044 0.012 25927 305 1 1 . 1 1 55 55 THR N N 55 118.298 118.298 123.123 -4.825 25927 306 1 1 . 1 1 55 55 THR HA H 55 5.458 5.458 5.118 0.340 25927 307 1 1 . 1 1 55 55 THR C C 55 173.980 173.980 173.574 0.406 25927 308 1 1 . 1 1 55 55 THR CA C 55 58.717 58.717 59.780 -1.063 25927 309 1 1 . 1 1 55 55 THR CB C 55 71.839 71.839 71.029 0.810 25927 310 1 1 . 1 1 55 55 THR H H 55 9.250 9.250 8.882 0.368 25927 311 1 1 . 1 1 56 56 VAL N N 56 120.047 120.047 126.010 -5.963 25927 312 1 1 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.704 -0.284 25927 313 1 1 . 1 1 56 56 VAL C C 56 176.226 176.226 176.521 -0.295 25927 314 1 1 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.723 -0.682 25927 315 1 1 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.997 1.764 25927 316 1 1 . 1 1 56 56 VAL H H 56 8.435 8.435 8.900 -0.465 25927 317 1 1 . 1 1 57 57 ASN N N 57 125.479 125.479 126.880 -1.401 25927 318 1 1 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.264 -0.069 25927 319 1 1 . 1 1 57 57 ASN C C 57 175.026 175.026 175.563 -0.537 25927 320 1 1 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.569 -0.873 25927 321 1 1 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.353 -0.354 25927 322 1 1 . 1 1 57 57 ASN H H 57 9.199 9.199 9.407 -0.208 25927 323 1 1 . 1 1 58 58 GLN N N 58 116.897 116.897 116.305 0.592 25927 324 1 1 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.487 -0.301 25927 325 1 1 . 1 1 58 58 GLN C C 58 175.237 175.237 174.777 0.460 25927 326 1 1 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.495 1.345 25927 327 1 1 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.067 -2.484 25927 328 1 1 . 1 1 58 58 GLN H H 58 8.576 8.576 8.250 0.326 25927 329 1 1 . 1 1 59 59 ASP N N 59 122.465 122.465 122.808 -0.343 25927 330 1 1 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.897 -0.181 25927 331 1 1 . 1 1 59 59 ASP C C 59 175.302 175.302 174.477 0.825 25927 332 1 1 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.737 0.396 25927 333 1 1 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.164 -2.711 25927 334 1 1 . 1 1 59 59 ASP H H 59 8.343 8.343 8.248 0.095 25927 335 1 1 . 1 1 60 60 VAL N N 60 124.577 124.577 123.393 1.184 25927 336 1 1 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.136 -0.259 25927 337 1 1 . 1 1 60 60 VAL C C 60 176.802 176.802 175.453 1.349 25927 338 1 1 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.959 0.822 25927 339 1 1 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.714 -0.980 25927 340 1 1 . 1 1 60 60 VAL H H 60 8.754 8.754 8.709 0.045 25927 341 1 1 . 1 1 61 61 ILE N N 61 123.852 123.852 123.931 -0.079 25927 342 1 1 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.562 -0.043 25927 343 1 1 . 1 1 61 61 ILE C C 61 175.073 175.073 175.105 -0.032 25927 344 1 1 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.245 -0.646 25927 345 1 1 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.131 -1.161 25927 346 1 1 . 1 1 61 61 ILE H H 61 8.984 8.984 8.048 0.936 25927 347 1 1 . 1 1 62 62 PHE N N 62 119.927 119.927 120.849 -0.922 25927 348 1 1 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.861 -0.215 25927 349 1 1 . 1 1 62 62 PHE C C 62 171.958 171.958 172.810 -0.852 25927 350 1 1 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.417 0.954 25927 351 1 1 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.720 0.090 25927 352 1 1 . 1 1 62 62 PHE H H 62 7.557 7.557 7.601 -0.044 25927 353 1 1 . 1 1 63 63 GLN N N 63 125.524 125.524 122.715 2.809 25927 354 1 1 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.814 0.295 25927 355 1 1 . 1 1 63 63 GLN C C 63 172.837 172.837 173.541 -0.704 25927 356 1 1 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.891 -0.129 25927 357 1 1 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.771 -0.091 25927 358 1 1 . 1 1 63 63 GLN H H 63 7.389 7.389 7.698 -0.309 25927 359 1 1 . 1 1 64 64 THR N N 64 115.981 115.981 114.942 1.039 25927 360 1 1 . 1 1 64 64 THR HA H 64 4.428 4.428 4.535 -0.107 25927 361 1 1 . 1 1 64 64 THR C C 64 169.980 169.980 172.141 -2.161 25927 362 1 1 . 1 1 64 64 THR CA C 64 60.555 60.555 60.989 -0.434 25927 363 1 1 . 1 1 64 64 THR CB C 64 69.083 69.083 71.824 -2.741 25927 364 1 1 . 1 1 64 64 THR H H 64 8.588 8.588 8.734 -0.146 25927 365 1 1 . 1 1 65 65 PHE N N 65 125.997 125.997 123.575 2.422 25927 366 1 1 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.580 -0.166 25927 367 1 1 . 1 1 65 65 PHE C C 65 173.940 173.940 174.485 -0.545 25927 368 1 1 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.207 0.043 25927 369 1 1 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.146 0.567 25927 370 1 1 . 1 1 65 65 PHE H H 65 8.054 8.054 8.299 -0.245 25927 371 1 1 . 1 1 66 66 LEU N N 66 127.935 127.935 125.681 2.254 25927 372 1 1 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.573 -0.121 25927 373 1 1 . 1 1 66 66 LEU C C 66 174.502 174.502 175.171 -0.669 25927 374 1 1 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.556 -0.947 25927 375 1 1 . 1 1 66 66 LEU H H 66 8.383 8.383 8.525 -0.142 25927 376 1 1 . 1 1 67 67 PHE N N 67 123.162 123.162 119.213 3.949 25927 377 1 1 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.460 -0.836 25927 378 1 1 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.727 -1.600 25927 379 1 1 . 1 1 67 67 PHE H H 67 8.285 8.285 8.822 -0.537 25927 380 1 1 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.524 -0.077 25927 381 1 1 . 1 1 68 68 PRO C C 68 175.918 175.918 177.061 -1.143 25927 382 1 1 . 1 1 68 68 PRO CA C 68 61.623 61.623 63.885 -2.262 25927 383 1 1 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.253 -0.032 25927 384 1 1 . 1 1 69 69 LEU N N 69 121.360 121.360 120.195 1.165 25927 385 1 1 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.368 -0.174 25927 386 1 1 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.655 -0.404 25927 387 1 1 . 1 1 69 69 LEU CB C 69 40.677 40.677 41.647 -0.970 25927 388 1 1 . 1 1 69 69 LEU H H 69 8.300 8.300 8.453 -0.153 25927 389 1 1 . 1 1 70 70 LYS N N 70 123.012 123.012 117.532 5.480 25927 390 1 1 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.889 -0.189 25927 391 1 1 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.341 -3.621 25927 392 1 1 . 1 1 70 70 LYS H H 70 8.156 8.156 7.755 0.401 25927 393 1 1 . 1 1 71 71 ARG N N 71 125.250 125.250 120.701 4.549 25927 394 1 1 . 1 1 71 71 ARG C C 71 179.581 179.581 176.890 2.691 25927 395 1 1 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.193 1.025 25927 396 1 1 . 1 1 71 71 ARG H H 71 8.279 8.279 8.823 -0.544 25927 397 1 1 . 1 1 72 72 ASP N N 72 119.355 119.355 120.330 -0.975 25927 398 1 1 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.533 0.213 25927 399 1 1 . 1 1 72 72 ASP C C 72 177.124 177.124 177.441 -0.317 25927 400 1 1 . 1 1 72 72 ASP CA C 72 55.673 55.673 56.093 -0.420 25927 401 1 1 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.484 -0.437 25927 402 1 1 . 1 1 72 72 ASP H H 72 8.182 8.182 8.428 -0.246 25927 403 1 1 . 1 1 73 73 PHE N N 73 122.846 122.846 121.832 1.014 25927 404 1 1 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.118 0.012 25927 405 1 1 . 1 1 73 73 PHE C C 73 176.729 176.729 176.838 -0.109 25927 406 1 1 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.090 0.932 25927 407 1 1 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.227 0.977 25927 408 1 1 . 1 1 73 73 PHE H H 73 8.197 8.197 8.342 -0.145 25927 409 1 1 . 1 1 74 74 GLU N N 74 118.652 118.652 118.585 0.067 25927 410 1 1 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.903 -0.059 25927 411 1 1 . 1 1 74 74 GLU C C 74 179.310 179.310 178.726 0.584 25927 412 1 1 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.720 0.931 25927 413 1 1 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.385 -0.736 25927 414 1 1 . 1 1 74 74 GLU H H 74 9.098 9.098 9.072 0.026 25927 415 1 1 . 1 1 75 75 LYS N N 75 117.836 117.836 119.456 -1.620 25927 416 1 1 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.102 -0.023 25927 417 1 1 . 1 1 75 75 LYS C C 75 179.312 179.312 179.338 -0.026 25927 418 1 1 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.423 -0.143 25927 419 1 1 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.248 0.095 25927 420 1 1 . 1 1 75 75 LYS H H 75 8.078 8.078 7.755 0.323 25927 421 1 1 . 1 1 76 76 THR N N 76 118.581 118.581 117.609 0.972 25927 422 1 1 . 1 1 76 76 THR HA H 76 4.168 4.168 4.151 0.017 25927 423 1 1 . 1 1 76 76 THR C C 76 175.873 175.873 176.795 -0.922 25927 424 1 1 . 1 1 76 76 THR CA C 76 67.009 67.009 66.930 0.079 25927 425 1 1 . 1 1 76 76 THR CB C 76 68.404 68.404 68.578 -0.174 25927 426 1 1 . 1 1 76 76 THR H H 76 8.031 8.031 8.364 -0.333 25927 427 1 1 . 1 1 77 77 VAL N N 77 122.994 122.994 121.730 1.264 25927 428 1 1 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.545 -0.153 25927 429 1 1 . 1 1 77 77 VAL C C 77 177.137 177.137 177.577 -0.440 25927 430 1 1 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.910 0.545 25927 431 1 1 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.250 0.323 25927 432 1 1 . 1 1 77 77 VAL H H 77 7.999 7.999 8.168 -0.168 25927 433 1 1 . 1 1 78 78 VAL N N 78 117.994 117.994 118.908 -0.914 25927 434 1 1 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.497 0.051 25927 435 1 1 . 1 1 78 78 VAL C C 78 177.830 177.830 177.545 0.285 25927 436 1 1 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.440 0.834 25927 437 1 1 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.295 0.448 25927 438 1 1 . 1 1 78 78 VAL H H 78 7.745 7.745 7.982 -0.237 25927 439 1 1 . 1 1 79 79 ALA N N 79 120.460 120.460 121.211 -0.751 25927 440 1 1 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.075 0.105 25927 441 1 1 . 1 1 79 79 ALA C C 79 176.512 176.512 179.156 -2.644 25927 442 1 1 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.945 0.156 25927 443 1 1 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.119 0.051 25927 444 1 1 . 1 1 79 79 ALA H H 79 7.844 7.844 8.425 -0.581 25927 445 1 1 . 1 1 80 80 ALA N N 80 119.351 119.351 120.587 -1.236 25927 446 1 1 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.728 -0.732 25927 447 1 1 . 1 1 80 80 ALA C C 80 180.805 180.805 179.452 1.353 25927 448 1 1 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.904 -0.246 25927 449 1 1 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.484 0.874 25927 450 1 1 . 1 1 80 80 ALA H H 80 8.178 8.178 8.054 0.124 25927 451 1 1 . 1 1 81 81 LEU N N 81 123.041 123.041 119.490 3.551 25927 452 1 1 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.013 -0.149 25927 453 1 1 . 1 1 81 81 LEU C C 81 179.526 179.526 179.067 0.459 25927 454 1 1 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.755 1.130 25927 455 1 1 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.598 0.953 25927 456 1 1 . 1 1 81 81 LEU H H 81 8.469 8.469 7.255 1.214 25927 457 1 1 . 1 1 82 82 ILE N N 82 119.350 119.350 118.687 0.663 25927 458 1 1 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.628 0.199 25927 459 1 1 . 1 1 82 82 ILE C C 82 179.375 179.375 178.126 1.249 25927 460 1 1 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.320 -0.741 25927 461 1 1 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.644 0.970 25927 462 1 1 . 1 1 82 82 ILE H H 82 7.988 7.988 7.311 0.677 25927 463 1 1 . 1 1 83 83 GLN N N 83 118.033 118.033 118.381 -0.348 25927 464 1 1 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.920 0.273 25927 465 1 1 . 1 1 83 83 GLN C C 83 179.932 179.932 178.624 1.308 25927 466 1 1 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.781 0.382 25927 467 1 1 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.016 0.678 25927 468 1 1 . 1 1 83 83 GLN H H 83 8.665 8.665 8.149 0.516 25927 469 1 1 . 1 1 84 84 THR N N 84 118.583 118.583 115.115 3.468 25927 470 1 1 . 1 1 84 84 THR HA H 84 3.813 3.813 4.054 -0.241 25927 471 1 1 . 1 1 84 84 THR C C 84 175.824 175.824 176.231 -0.407 25927 472 1 1 . 1 1 84 84 THR CA C 84 68.515 68.515 67.550 0.965 25927 473 1 1 . 1 1 84 84 THR CB C 84 67.514 67.514 68.818 -1.304 25927 474 1 1 . 1 1 84 84 THR H H 84 8.355 8.355 8.167 0.188 25927 475 1 1 . 1 1 85 85 GLU N N 85 121.547 121.547 120.738 0.809 25927 476 1 1 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.151 0.022 25927 477 1 1 . 1 1 85 85 GLU C C 85 178.637 178.637 178.570 0.067 25927 478 1 1 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.103 1.273 25927 479 1 1 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.986 0.226 25927 480 1 1 . 1 1 85 85 GLU H H 85 7.846 7.846 7.830 0.016 25927 481 1 1 . 1 1 86 86 GLU N N 86 118.203 118.203 119.436 -1.233 25927 482 1 1 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.014 0.090 25927 483 1 1 . 1 1 86 86 GLU C C 86 179.080 179.080 178.805 0.275 25927 484 1 1 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.049 0.635 25927 485 1 1 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.102 0.456 25927 486 1 1 . 1 1 86 86 GLU H H 86 8.154 8.154 8.527 -0.373 25927 487 1 1 . 1 1 87 87 ALA N N 87 121.242 121.242 121.033 0.209 25927 488 1 1 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.128 0.048 25927 489 1 1 . 1 1 87 87 ALA C C 87 181.299 181.299 179.239 2.060 25927 490 1 1 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.824 0.392 25927 491 1 1 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.684 0.549 25927 492 1 1 . 1 1 87 87 ALA H H 87 8.181 8.181 7.471 0.710 25927 493 1 1 . 1 1 88 88 LEU N N 88 119.086 119.086 117.321 1.765 25927 494 1 1 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.077 -0.080 25927 495 1 1 . 1 1 88 88 LEU C C 88 179.526 179.526 178.530 0.996 25927 496 1 1 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.178 1.370 25927 497 1 1 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.419 -0.175 25927 498 1 1 . 1 1 88 88 LEU H H 88 8.379 8.379 7.481 0.898 25927 499 1 1 . 1 1 89 89 ASN N N 89 119.429 119.429 118.482 0.947 25927 500 1 1 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.421 0.146 25927 501 1 1 . 1 1 89 89 ASN C C 89 177.117 177.117 175.707 1.410 25927 502 1 1 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.746 -0.742 25927 503 1 1 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.592 -0.243 25927 504 1 1 . 1 1 89 89 ASN H H 89 8.271 8.271 8.451 -0.180 25927 505 1 1 . 1 1 90 90 ARG N N 90 118.735 118.735 115.971 2.764 25927 506 1 1 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.356 -0.203 25927 507 1 1 . 1 1 90 90 ARG C C 90 177.836 177.836 177.102 0.734 25927 508 1 1 . 1 1 90 90 ARG CA C 90 58.574 58.574 55.840 2.734 25927 509 1 1 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.571 -0.341 25927 510 1 1 . 1 1 90 90 ARG H H 90 8.010 8.010 7.950 0.060 25927 511 1 1 . 1 1 91 91 ARG N N 91 118.976 118.976 118.885 0.091 25927 512 1 1 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.227 -0.018 25927 513 1 1 . 1 1 91 91 ARG C C 91 177.455 177.455 177.847 -0.392 25927 514 1 1 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.569 -0.543 25927 515 1 1 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.177 -0.390 25927 516 1 1 . 1 1 91 91 ARG H H 91 7.833 7.833 7.709 0.124 25927 517 1 1 . 1 1 92 92 GLN N N 92 118.834 118.834 115.170 3.664 25927 518 1 1 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.498 -0.241 25927 519 1 1 . 1 1 92 92 GLN C C 92 177.362 177.362 177.634 -0.272 25927 520 1 1 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.786 0.702 25927 521 1 1 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.572 -1.440 25927 522 1 1 . 1 1 92 92 GLN H H 92 7.988 7.988 8.077 -0.089 25927 523 1 1 . 1 1 93 93 ILE N N 93 120.499 120.499 122.041 -1.542 25927 524 1 1 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.717 0.299 25927 525 1 1 . 1 1 93 93 ILE C C 93 177.002 177.002 177.254 -0.252 25927 526 1 1 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.674 -1.813 25927 527 1 1 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.566 1.002 25927 528 1 1 . 1 1 93 93 ILE H H 93 7.976 7.976 7.615 0.361 25927 529 1 1 . 1 1 94 94 ASN N N 94 120.172 120.172 118.715 1.457 25927 530 1 1 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.289 0.350 25927 531 1 1 . 1 1 94 94 ASN C C 94 176.336 176.336 177.888 -1.552 25927 532 1 1 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.072 -2.755 25927 533 1 1 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.257 0.343 25927 534 1 1 . 1 1 94 94 ASN H H 94 8.272 8.272 8.226 0.046 25927 535 1 1 . 1 1 95 95 GLN N N 95 120.288 120.288 118.788 1.500 25927 536 1 1 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.125 0.056 25927 537 1 1 . 1 1 95 95 GLN C C 95 176.701 176.701 177.968 -1.267 25927 538 1 1 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.574 -1.395 25927 539 1 1 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.687 0.309 25927 540 1 1 . 1 1 95 95 GLN H H 95 8.303 8.303 7.627 0.676 25927 541 1 1 . 1 1 96 96 ALA N N 96 123.219 123.219 122.952 0.267 25927 542 1 1 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.124 0.137 25927 543 1 1 . 1 1 96 96 ALA C C 96 178.429 178.429 179.743 -1.314 25927 544 1 1 . 1 1 96 96 ALA CA C 96 53.432 53.432 55.013 -1.581 25927 545 1 1 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.491 0.282 25927 546 1 1 . 1 1 96 96 ALA H H 96 8.112 8.112 7.594 0.518 25927 547 1 1 . 1 1 97 97 LEU N N 97 119.452 119.452 117.144 2.308 25927 548 1 1 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.425 -0.124 25927 549 1 1 . 1 1 97 97 LEU C C 97 177.834 177.834 178.727 -0.893 25927 550 1 1 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.537 -1.791 25927 551 1 1 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.708 0.582 25927 552 1 1 . 1 1 97 97 LEU H H 97 7.932 7.932 8.190 -0.258 25927 553 1 1 . 1 1 98 98 LEU N N 98 121.124 121.124 119.662 1.462 25927 554 1 1 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.367 0.010 25927 555 1 1 . 1 1 98 98 LEU C C 98 177.729 177.729 178.672 -0.943 25927 556 1 1 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.005 -1.579 25927 557 1 1 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.174 0.232 25927 558 1 1 . 1 1 98 98 LEU H H 98 7.947 7.947 7.881 0.066 25927 559 1 1 . 1 1 99 99 SER N N 99 115.913 115.913 113.181 2.732 25927 560 1 1 . 1 1 99 99 SER HA H 99 4.525 4.525 4.291 0.234 25927 561 1 1 . 1 1 99 99 SER C C 99 174.980 174.980 174.826 0.154 25927 562 1 1 . 1 1 99 99 SER CA C 99 58.478 58.478 60.504 -2.026 25927 563 1 1 . 1 1 99 99 SER CB C 99 63.839 63.839 63.618 0.221 25927 564 1 1 . 1 1 99 99 SER H H 99 8.238 8.238 8.146 0.092 25927 565 1 1 . 1 1 100 100 THR N N 100 114.610 114.610 113.598 1.012 25927 566 1 1 . 1 1 100 100 THR HA H 100 4.361 4.361 4.449 -0.088 25927 567 1 1 . 1 1 100 100 THR C C 100 175.368 175.368 173.221 2.147 25927 568 1 1 . 1 1 100 100 THR CA C 100 62.195 62.195 62.693 -0.498 25927 569 1 1 . 1 1 100 100 THR CB C 100 69.794 69.794 69.472 0.322 25927 570 1 1 . 1 1 100 100 THR H H 100 8.140 8.140 7.353 0.787 25927 571 1 1 . 1 1 101 101 GLY N N 101 110.650 110.650 117.235 -6.585 25927 572 1 1 . 1 1 101 101 GLY C C 101 173.935 173.935 173.884 0.051 25927 573 1 1 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.630 0.863 25927 574 1 1 . 1 1 101 101 GLY H H 101 8.353 8.353 8.475 -0.122 25927 575 1 1 . 1 1 102 102 ASP N N 102 120.512 120.512 119.769 0.743 25927 576 1 1 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.569 0.034 25927 577 1 1 . 1 1 102 102 ASP C C 102 176.419 176.419 177.273 -0.854 25927 578 1 1 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.305 -0.014 25927 579 1 1 . 1 1 102 102 ASP CB C 102 41.277 41.277 42.017 -0.740 25927 580 1 1 . 1 1 102 102 ASP H H 102 8.204 8.204 7.932 0.272 25927 581 1 1 . 1 1 103 103 LEU N N 103 122.331 122.331 119.358 2.973 25927 582 1 1 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.353 -0.095 25927 583 1 1 . 1 1 103 103 LEU C C 103 177.394 177.394 175.694 1.700 25927 584 1 1 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.695 -0.167 25927 585 1 1 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.723 -0.495 25927 586 1 1 . 1 1 103 103 LEU H H 103 8.170 8.170 8.115 0.055 25927 587 1 1 . 1 1 104 104 ALA N N 104 123.139 123.139 122.814 0.325 25927 588 1 1 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.432 -0.232 25927 589 1 1 . 1 1 104 104 ALA C C 104 177.730 177.730 176.950 0.780 25927 590 1 1 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.194 0.580 25927 591 1 1 . 1 1 104 104 ALA CB C 104 19.005 19.005 18.704 0.301 25927 592 1 1 . 1 1 104 104 ALA H H 104 8.150 8.150 8.993 -0.843 25927 593 1 1 . 1 1 105 105 HIS N N 105 117.105 117.105 118.877 -1.772 25927 594 1 1 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.731 -0.090 25927 595 1 1 . 1 1 105 105 HIS C C 105 174.414 174.414 174.838 -0.424 25927 596 1 1 . 1 1 105 105 HIS CA C 105 55.520 55.520 56.711 -1.191 25927 597 1 1 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.463 -1.185 25927 598 1 1 . 1 1 105 105 HIS H H 105 8.239 8.239 8.315 -0.076 25927 599 1 1 . 1 1 106 106 ASP N N 106 121.315 121.315 119.171 2.144 25927 600 1 1 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.697 -0.094 25927 601 1 1 . 1 1 106 106 ASP C C 106 176.370 176.370 175.976 0.394 25927 602 1 1 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.316 0.002 25927 603 1 1 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.133 1.281 25927 604 1 1 . 1 1 106 106 ASP H H 106 8.298 8.298 8.358 -0.060 25927 605 1 1 . 1 1 107 107 GLU N N 107 121.228 121.228 121.891 -0.663 25927 606 1 1 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.035 0.073 25927 607 1 1 . 1 1 107 107 GLU C C 107 176.248 176.248 176.523 -0.275 25927 608 1 1 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.645 -0.453 25927 609 1 1 . 1 1 107 107 GLU CB C 107 30.095 30.095 29.898 0.196 25927 610 1 1 . 1 1 107 107 GLU H H 107 8.536 8.536 8.606 -0.070 25927 611 1 2 . 1 1 2 2 VAL N N 2 119.413 119.413 120.897 -1.484 25927 612 1 2 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.380 -0.248 25927 613 1 2 . 1 1 2 2 VAL C C 2 175.957 175.957 175.086 0.871 25927 614 1 2 . 1 1 2 2 VAL CA C 2 62.517 62.517 62.070 0.447 25927 615 1 2 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.642 -0.966 25927 616 1 2 . 1 1 2 2 VAL H H 2 8.453 8.453 8.333 0.120 25927 617 1 2 . 1 1 3 3 GLU N N 3 125.255 125.255 125.588 -0.333 25927 618 1 2 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.689 -0.341 25927 619 1 2 . 1 1 3 3 GLU C C 3 176.154 176.154 175.086 1.068 25927 620 1 2 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.099 0.370 25927 621 1 2 . 1 1 3 3 GLU CB C 3 30.382 30.382 30.448 -0.066 25927 622 1 2 . 1 1 3 3 GLU H H 3 8.587 8.587 8.571 0.016 25927 623 1 2 . 1 1 4 4 VAL N N 4 121.132 121.132 122.924 -1.792 25927 624 1 2 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.148 -0.027 25927 625 1 2 . 1 1 4 4 VAL C C 4 175.762 175.762 176.086 -0.324 25927 626 1 2 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.313 0.715 25927 627 1 2 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.413 -1.357 25927 628 1 2 . 1 1 4 4 VAL H H 4 8.172 8.172 8.280 -0.108 25927 629 1 2 . 1 1 5 5 GLU N N 5 125.223 125.223 124.617 0.606 25927 630 1 2 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.306 0.018 25927 631 1 2 . 1 1 5 5 GLU C C 5 176.006 176.006 176.066 -0.060 25927 632 1 2 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.554 -0.165 25927 633 1 2 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.183 2.236 25927 634 1 2 . 1 1 5 5 GLU H H 5 8.472 8.472 8.740 -0.268 25927 635 1 2 . 1 1 6 6 VAL N N 6 123.435 123.435 121.120 2.315 25927 636 1 2 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.959 0.477 25927 637 1 2 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.538 -4.792 25927 638 1 2 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.885 1.853 25927 639 1 2 . 1 1 6 6 VAL H H 6 8.288 8.288 8.003 0.285 25927 640 1 2 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.601 -0.165 25927 641 1 2 . 1 1 7 7 PRO C C 7 177.461 177.461 176.484 0.977 25927 642 1 2 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.326 1.019 25927 643 1 2 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.733 -0.429 25927 644 1 2 . 1 1 8 8 GLY N N 8 108.925 108.925 106.470 2.455 25927 645 1 2 . 1 1 8 8 GLY C C 8 173.995 173.995 173.322 0.673 25927 646 1 2 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.877 0.549 25927 647 1 2 . 1 1 8 8 GLY H H 8 8.334 8.334 8.228 0.106 25927 648 1 2 . 1 1 9 9 LEU N N 9 121.559 121.559 121.130 0.429 25927 649 1 2 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.753 -0.294 25927 650 1 2 . 1 1 9 9 LEU C C 9 176.870 176.870 175.770 1.100 25927 651 1 2 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.384 1.237 25927 652 1 2 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.218 0.830 25927 653 1 2 . 1 1 9 9 LEU H H 9 8.150 8.150 8.507 -0.357 25927 654 1 2 . 1 1 10 10 LEU N N 10 122.690 122.690 123.709 -1.019 25927 655 1 2 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.452 0.709 25927 656 1 2 . 1 1 10 10 LEU C C 10 177.427 177.427 177.018 0.409 25927 657 1 2 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.455 -1.593 25927 658 1 2 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.194 2.454 25927 659 1 2 . 1 1 10 10 LEU H H 10 8.348 8.348 7.956 0.392 25927 660 1 2 . 1 1 11 11 THR N N 11 124.118 124.118 121.096 3.022 25927 661 1 2 . 1 1 11 11 THR HA H 11 4.295 4.295 4.436 -0.141 25927 662 1 2 . 1 1 11 11 THR C C 11 172.853 172.853 173.936 -1.083 25927 663 1 2 . 1 1 11 11 THR CA C 11 63.577 63.577 61.280 2.297 25927 664 1 2 . 1 1 11 11 THR CB C 11 69.325 69.325 70.706 -1.381 25927 665 1 2 . 1 1 11 11 THR H H 11 9.186 9.186 8.206 0.980 25927 666 1 2 . 1 1 12 12 ASP N N 12 127.226 127.226 125.793 1.433 25927 667 1 2 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.819 0.478 25927 668 1 2 . 1 1 12 12 ASP C C 12 176.060 176.060 175.881 0.179 25927 669 1 2 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.587 0.192 25927 670 1 2 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.979 1.065 25927 671 1 2 . 1 1 12 12 ASP H H 12 8.880 8.880 8.434 0.446 25927 672 1 2 . 1 1 13 13 HIS N N 13 127.146 127.146 121.983 5.163 25927 673 1 2 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.493 0.815 25927 674 1 2 . 1 1 13 13 HIS C C 13 175.365 175.365 173.848 1.517 25927 675 1 2 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.480 -2.322 25927 676 1 2 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.786 1.168 25927 677 1 2 . 1 1 13 13 HIS H H 13 8.867 8.867 7.921 0.946 25927 678 1 2 . 1 1 14 14 THR N N 14 112.885 112.885 110.185 2.700 25927 679 1 2 . 1 1 14 14 THR HA H 14 4.522 4.522 4.645 -0.123 25927 680 1 2 . 1 1 14 14 THR C C 14 174.626 174.626 174.328 0.298 25927 681 1 2 . 1 1 14 14 THR CA C 14 63.245 63.245 60.692 2.553 25927 682 1 2 . 1 1 14 14 THR CB C 14 70.178 70.178 70.957 -0.779 25927 683 1 2 . 1 1 14 14 THR H H 14 8.583 8.583 7.737 0.846 25927 684 1 2 . 1 1 15 15 VAL N N 15 113.207 113.207 119.972 -6.765 25927 685 1 2 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.537 0.108 25927 686 1 2 . 1 1 15 15 VAL C C 15 175.216 175.216 174.569 0.647 25927 687 1 2 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.476 0.787 25927 688 1 2 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.564 2.816 25927 689 1 2 . 1 1 15 15 VAL H H 15 9.104 9.104 8.698 0.406 25927 690 1 2 . 1 1 16 16 SER N N 16 122.970 122.970 116.101 6.869 25927 691 1 2 . 1 1 16 16 SER HA H 16 4.196 4.196 4.875 -0.679 25927 692 1 2 . 1 1 16 16 SER C C 16 174.515 174.515 176.007 -1.492 25927 693 1 2 . 1 1 16 16 SER CA C 16 57.126 57.126 55.629 1.497 25927 694 1 2 . 1 1 16 16 SER CB C 16 67.073 67.073 64.966 2.107 25927 695 1 2 . 1 1 16 16 SER H H 16 9.340 9.340 7.610 1.730 25927 696 1 2 . 1 1 17 17 SER N N 17 116.643 116.643 122.165 -5.522 25927 697 1 2 . 1 1 17 17 SER HA H 17 4.157 4.157 4.337 -0.180 25927 698 1 2 . 1 1 17 17 SER C C 17 176.576 176.576 175.804 0.772 25927 699 1 2 . 1 1 17 17 SER CA C 17 62.451 62.451 61.050 1.401 25927 700 1 2 . 1 1 17 17 SER CB C 17 62.539 62.539 62.988 -0.449 25927 701 1 2 . 1 1 17 17 SER H H 17 8.926 8.926 8.859 0.067 25927 702 1 2 . 1 1 18 18 ILE N N 18 120.198 120.198 115.366 4.832 25927 703 1 2 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.439 -0.368 25927 704 1 2 . 1 1 18 18 ILE C C 18 177.925 177.925 177.730 0.195 25927 705 1 2 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.329 2.052 25927 706 1 2 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.137 -0.557 25927 707 1 2 . 1 1 18 18 ILE H H 18 7.848 7.848 7.493 0.355 25927 708 1 2 . 1 1 19 19 GLY N N 19 111.905 111.905 108.639 3.266 25927 709 1 2 . 1 1 19 19 GLY C C 19 176.153 176.153 176.131 0.022 25927 710 1 2 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.225 -0.385 25927 711 1 2 . 1 1 19 19 GLY H H 19 7.921 7.921 8.216 -0.295 25927 712 1 2 . 1 1 20 20 HIS N N 20 120.808 120.808 121.219 -0.411 25927 713 1 2 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.549 0.213 25927 714 1 2 . 1 1 20 20 HIS C C 20 178.606 178.606 177.076 1.530 25927 715 1 2 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.328 -1.470 25927 716 1 2 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.172 -2.457 25927 717 1 2 . 1 1 20 20 HIS H H 20 8.842 8.842 8.490 0.352 25927 718 1 2 . 1 1 21 21 ASP N N 21 121.572 121.572 119.591 1.981 25927 719 1 2 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.445 0.089 25927 720 1 2 . 1 1 21 21 ASP C C 21 179.630 179.630 178.629 1.001 25927 721 1 2 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.105 0.400 25927 722 1 2 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.257 -0.492 25927 723 1 2 . 1 1 21 21 ASP H H 21 8.592 8.592 7.740 0.852 25927 724 1 2 . 1 1 22 22 PHE N N 22 123.889 123.889 122.532 1.357 25927 725 1 2 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.147 -0.052 25927 726 1 2 . 1 1 22 22 PHE C C 22 175.647 175.647 176.708 -1.061 25927 727 1 2 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.055 0.873 25927 728 1 2 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.255 -0.108 25927 729 1 2 . 1 1 22 22 PHE H H 22 8.790 8.790 8.950 -0.160 25927 730 1 2 . 1 1 23 23 TYR N N 23 119.855 119.855 120.191 -0.336 25927 731 1 2 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.987 -0.206 25927 732 1 2 . 1 1 23 23 TYR C C 23 177.585 177.585 177.342 0.243 25927 733 1 2 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.803 0.169 25927 734 1 2 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.349 0.030 25927 735 1 2 . 1 1 23 23 TYR H H 23 9.008 9.008 7.917 1.091 25927 736 1 2 . 1 1 24 24 ARG N N 24 120.673 120.673 118.540 2.133 25927 737 1 2 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.819 -0.101 25927 738 1 2 . 1 1 24 24 ARG C C 24 177.149 177.149 178.709 -1.560 25927 739 1 2 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.177 0.183 25927 740 1 2 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.238 0.196 25927 741 1 2 . 1 1 24 24 ARG H H 24 8.576 8.576 7.596 0.980 25927 742 1 2 . 1 1 25 25 ALA N N 25 120.718 120.718 122.773 -2.055 25927 743 1 2 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.100 0.011 25927 744 1 2 . 1 1 25 25 ALA C C 25 179.502 179.502 179.131 0.371 25927 745 1 2 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.812 -0.002 25927 746 1 2 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.581 0.809 25927 747 1 2 . 1 1 25 25 ALA H H 25 8.080 8.080 8.456 -0.376 25927 748 1 2 . 1 1 26 26 PHE N N 26 118.193 118.193 119.258 -1.065 25927 749 1 2 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.863 -0.365 25927 750 1 2 . 1 1 26 26 PHE C C 26 177.120 177.120 176.818 0.302 25927 751 1 2 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.597 0.700 25927 752 1 2 . 1 1 26 26 PHE CB C 26 39.907 39.907 38.988 0.919 25927 753 1 2 . 1 1 26 26 PHE H H 26 8.467 8.467 8.207 0.260 25927 754 1 2 . 1 1 27 27 SER N N 27 112.572 112.572 113.891 -1.319 25927 755 1 2 . 1 1 27 27 SER HA H 27 3.845 3.845 4.230 -0.385 25927 756 1 2 . 1 1 27 27 SER C C 27 176.828 176.828 176.491 0.337 25927 757 1 2 . 1 1 27 27 SER CA C 27 61.656 61.656 61.011 0.645 25927 758 1 2 . 1 1 27 27 SER CB C 27 62.952 62.952 62.864 0.088 25927 759 1 2 . 1 1 27 27 SER H H 27 8.477 8.477 7.985 0.492 25927 760 1 2 . 1 1 28 28 ASP N N 28 119.022 119.022 121.493 -2.471 25927 761 1 2 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.493 -0.069 25927 762 1 2 . 1 1 28 28 ASP C C 28 177.325 177.325 177.317 0.008 25927 763 1 2 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.391 0.267 25927 764 1 2 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.945 0.329 25927 765 1 2 . 1 1 28 28 ASP H H 28 8.019 8.019 8.067 -0.048 25927 766 1 2 . 1 1 29 29 LYS N N 29 115.330 115.330 115.321 0.009 25927 767 1 2 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.324 0.035 25927 768 1 2 . 1 1 29 29 LYS C C 29 175.910 175.910 176.351 -0.441 25927 769 1 2 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.225 -0.061 25927 770 1 2 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.709 2.601 25927 771 1 2 . 1 1 29 29 LYS H H 29 6.910 6.910 7.484 -0.574 25927 772 1 2 . 1 1 30 30 TRP N N 30 122.847 122.847 123.765 -0.918 25927 773 1 2 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.041 0.136 25927 774 1 2 . 1 1 30 30 TRP C C 30 175.188 175.188 175.170 0.018 25927 775 1 2 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.642 -0.601 25927 776 1 2 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.759 0.161 25927 777 1 2 . 1 1 30 30 TRP H H 30 7.638 7.638 7.585 0.054 25927 778 1 2 . 1 1 31 31 GLU N N 31 128.182 128.182 126.466 1.716 25927 779 1 2 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.081 0.078 25927 780 1 2 . 1 1 31 31 GLU C C 31 173.960 173.960 173.933 0.027 25927 781 1 2 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.205 -0.090 25927 782 1 2 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.271 -0.188 25927 783 1 2 . 1 1 31 31 GLU H H 31 7.426 7.426 7.459 -0.033 25927 784 1 2 . 1 1 32 32 SER N N 32 115.672 115.672 117.340 -1.668 25927 785 1 2 . 1 1 32 32 SER HA H 32 4.100 4.100 4.460 -0.360 25927 786 1 2 . 1 1 32 32 SER C C 32 173.864 173.864 173.555 0.309 25927 787 1 2 . 1 1 32 32 SER CA C 32 57.344 57.344 57.310 0.034 25927 788 1 2 . 1 1 32 32 SER CB C 32 64.220 64.220 63.837 0.383 25927 789 1 2 . 1 1 32 32 SER H H 32 7.276 7.276 8.167 -0.891 25927 790 1 2 . 1 1 33 33 ASP N N 33 123.759 123.759 124.461 -0.702 25927 791 1 2 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.755 -0.132 25927 792 1 2 . 1 1 33 33 ASP C C 33 176.175 176.175 176.108 0.067 25927 793 1 2 . 1 1 33 33 ASP CA C 33 54.129 54.129 53.815 0.314 25927 794 1 2 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.739 -1.129 25927 795 1 2 . 1 1 33 33 ASP H H 33 8.429 8.429 8.662 -0.233 25927 796 1 2 . 1 1 34 34 TYR N N 34 122.283 122.283 119.349 2.934 25927 797 1 2 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.902 -0.328 25927 798 1 2 . 1 1 34 34 TYR C C 34 177.025 177.025 175.966 1.059 25927 799 1 2 . 1 1 34 34 TYR CA C 34 58.817 58.817 56.975 1.842 25927 800 1 2 . 1 1 34 34 TYR CB C 34 39.134 39.134 38.926 0.208 25927 801 1 2 . 1 1 34 34 TYR H H 34 8.649 8.649 7.781 0.868 25927 802 1 2 . 1 1 35 35 THR N N 35 116.852 116.852 113.973 2.879 25927 803 1 2 . 1 1 35 35 THR HA H 35 4.311 4.311 4.157 0.154 25927 804 1 2 . 1 1 35 35 THR C C 35 174.704 174.704 174.583 0.121 25927 805 1 2 . 1 1 35 35 THR CA C 35 61.364 61.364 63.587 -2.223 25927 806 1 2 . 1 1 35 35 THR CB C 35 69.454 69.454 68.801 0.653 25927 807 1 2 . 1 1 35 35 THR H H 35 8.067 8.067 8.394 -0.327 25927 808 1 2 . 1 1 36 36 GLY N N 36 107.698 107.698 108.522 -0.824 25927 809 1 2 . 1 1 36 36 GLY C C 36 171.455 171.455 173.957 -2.502 25927 810 1 2 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.415 -0.897 25927 811 1 2 . 1 1 36 36 GLY H H 36 5.732 5.732 6.984 -1.252 25927 812 1 2 . 1 1 37 37 ASN N N 37 117.424 117.424 118.335 -0.911 25927 813 1 2 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.764 0.221 25927 814 1 2 . 1 1 37 37 ASN C C 37 175.393 175.393 173.925 1.468 25927 815 1 2 . 1 1 37 37 ASN CA C 37 53.833 53.833 52.871 0.962 25927 816 1 2 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.302 3.211 25927 817 1 2 . 1 1 37 37 ASN H H 37 8.346 8.346 8.394 -0.048 25927 818 1 2 . 1 1 38 38 LEU N N 38 126.809 126.809 118.531 8.278 25927 819 1 2 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.654 -0.656 25927 820 1 2 . 1 1 38 38 LEU C C 38 175.770 175.770 175.393 0.377 25927 821 1 2 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.852 2.162 25927 822 1 2 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.503 -0.437 25927 823 1 2 . 1 1 38 38 LEU H H 38 8.469 8.469 7.774 0.695 25927 824 1 2 . 1 1 39 39 THR N N 39 119.369 119.369 114.350 5.019 25927 825 1 2 . 1 1 39 39 THR HA H 39 4.799 4.799 4.917 -0.118 25927 826 1 2 . 1 1 39 39 THR C C 39 172.224 172.224 172.699 -0.475 25927 827 1 2 . 1 1 39 39 THR CA C 39 61.958 61.958 60.531 1.427 25927 828 1 2 . 1 1 39 39 THR CB C 39 70.327 70.327 72.116 -1.789 25927 829 1 2 . 1 1 39 39 THR H H 39 8.849 8.849 8.894 -0.045 25927 830 1 2 . 1 1 40 40 ILE N N 40 125.490 125.490 124.002 1.488 25927 831 1 2 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.370 0.150 25927 832 1 2 . 1 1 40 40 ILE C C 40 173.125 173.125 173.742 -0.617 25927 833 1 2 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.348 0.833 25927 834 1 2 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.135 -2.685 25927 835 1 2 . 1 1 40 40 ILE H H 40 8.562 8.562 7.925 0.637 25927 836 1 2 . 1 1 41 41 ASN N N 41 124.656 124.656 124.224 0.432 25927 837 1 2 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.692 -0.792 25927 838 1 2 . 1 1 41 41 ASN C C 41 173.445 173.445 174.042 -0.597 25927 839 1 2 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.604 0.475 25927 840 1 2 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.326 -0.210 25927 841 1 2 . 1 1 41 41 ASN H H 41 9.173 9.173 8.798 0.375 25927 842 1 2 . 1 1 42 42 GLU N N 42 120.095 120.095 122.020 -1.925 25927 843 1 2 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.312 0.073 25927 844 1 2 . 1 1 42 42 GLU C C 42 173.971 173.971 175.236 -1.265 25927 845 1 2 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.534 -0.404 25927 846 1 2 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.612 1.845 25927 847 1 2 . 1 1 42 42 GLU H H 42 7.741 7.741 8.229 -0.488 25927 848 1 2 . 1 1 43 43 ARG N N 43 127.178 127.178 121.398 5.780 25927 849 1 2 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.834 0.199 25927 850 1 2 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.463 0.232 25927 851 1 2 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.776 -0.288 25927 852 1 2 . 1 1 43 43 ARG H H 43 9.039 9.039 8.660 0.379 25927 853 1 2 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.863 -0.136 25927 854 1 2 . 1 1 44 44 PRO C C 44 176.335 176.335 176.126 0.209 25927 855 1 2 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.454 0.888 25927 856 1 2 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.103 0.571 25927 857 1 2 . 1 1 45 45 SER N N 45 117.089 117.089 122.414 -5.325 25927 858 1 2 . 1 1 45 45 SER HA H 45 4.837 4.837 4.715 0.122 25927 859 1 2 . 1 1 45 45 SER C C 45 174.334 174.334 174.516 -0.182 25927 860 1 2 . 1 1 45 45 SER CA C 45 56.688 56.688 57.536 -0.848 25927 861 1 2 . 1 1 45 45 SER CB C 45 64.628 64.628 65.060 -0.432 25927 862 1 2 . 1 1 45 45 SER H H 45 8.497 8.497 8.945 -0.448 25927 863 1 2 . 1 1 46 46 ALA N N 46 126.901 126.901 127.735 -0.834 25927 864 1 2 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.087 0.135 25927 865 1 2 . 1 1 46 46 ALA C C 46 178.171 178.171 178.363 -0.192 25927 866 1 2 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.349 -0.261 25927 867 1 2 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.811 -0.219 25927 868 1 2 . 1 1 46 46 ALA H H 46 8.780 8.780 8.778 0.002 25927 869 1 2 . 1 1 47 47 ARG N N 47 117.860 117.860 117.134 0.726 25927 870 1 2 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.138 0.272 25927 871 1 2 . 1 1 47 47 ARG C C 47 175.674 175.674 176.460 -0.786 25927 872 1 2 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.029 -1.777 25927 873 1 2 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.581 1.005 25927 874 1 2 . 1 1 47 47 ARG H H 47 8.381 8.381 8.012 0.369 25927 875 1 2 . 1 1 48 48 ALA N N 48 121.099 121.099 117.451 3.648 25927 876 1 2 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.581 -0.162 25927 877 1 2 . 1 1 48 48 ALA C C 48 176.874 176.874 175.870 1.004 25927 878 1 2 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.161 1.107 25927 879 1 2 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.376 -1.595 25927 880 1 2 . 1 1 48 48 ALA H H 48 8.012 8.012 8.048 -0.036 25927 881 1 2 . 1 1 49 49 GLY N N 49 106.126 106.126 107.279 -1.153 25927 882 1 2 . 1 1 49 49 GLY C C 49 172.803 172.803 172.087 0.716 25927 883 1 2 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.975 -1.485 25927 884 1 2 . 1 1 49 49 GLY H H 49 7.946 7.946 8.524 -0.578 25927 885 1 2 . 1 1 50 50 SER N N 50 113.972 113.972 116.332 -2.360 25927 886 1 2 . 1 1 50 50 SER HA H 50 4.736 4.736 5.148 -0.412 25927 887 1 2 . 1 1 50 50 SER C C 50 171.367 171.367 172.680 -1.313 25927 888 1 2 . 1 1 50 50 SER CA C 50 57.165 57.165 56.175 0.990 25927 889 1 2 . 1 1 50 50 SER CB C 50 66.797 66.797 66.234 0.563 25927 890 1 2 . 1 1 50 50 SER H H 50 7.631 7.631 8.141 -0.510 25927 891 1 2 . 1 1 51 51 TRP N N 51 121.787 121.787 123.557 -1.770 25927 892 1 2 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.099 0.757 25927 893 1 2 . 1 1 51 51 TRP C C 51 176.055 176.055 175.842 0.213 25927 894 1 2 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.392 -0.599 25927 895 1 2 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.437 0.097 25927 896 1 2 . 1 1 51 51 TRP H H 51 8.588 8.588 8.565 0.023 25927 897 1 2 . 1 1 52 52 ILE N N 52 126.898 126.898 124.545 2.353 25927 898 1 2 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.824 0.247 25927 899 1 2 . 1 1 52 52 ILE C C 52 175.754 175.754 175.084 0.670 25927 900 1 2 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.559 -1.826 25927 901 1 2 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.353 0.002 25927 902 1 2 . 1 1 52 52 ILE H H 52 8.963 8.963 9.083 -0.120 25927 903 1 2 . 1 1 53 53 THR N N 53 116.271 116.271 123.710 -7.439 25927 904 1 2 . 1 1 53 53 THR HA H 53 5.095 5.095 4.780 0.315 25927 905 1 2 . 1 1 53 53 THR C C 53 173.382 173.382 172.829 0.553 25927 906 1 2 . 1 1 53 53 THR CA C 53 59.290 59.290 61.753 -2.463 25927 907 1 2 . 1 1 53 53 THR CB C 53 71.819 71.819 70.869 0.950 25927 908 1 2 . 1 1 53 53 THR H H 53 8.371 8.371 9.147 -0.776 25927 909 1 2 . 1 1 54 54 ILE N N 54 124.947 124.947 129.711 -4.764 25927 910 1 2 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.090 0.093 25927 911 1 2 . 1 1 54 54 ILE C C 54 175.952 175.952 173.903 2.049 25927 912 1 2 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.346 2.248 25927 913 1 2 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.803 -2.186 25927 914 1 2 . 1 1 54 54 ILE H H 54 9.056 9.056 9.022 0.034 25927 915 1 2 . 1 1 55 55 THR N N 55 118.298 118.298 123.129 -4.831 25927 916 1 2 . 1 1 55 55 THR HA H 55 5.458 5.458 5.115 0.343 25927 917 1 2 . 1 1 55 55 THR C C 55 173.980 173.980 173.584 0.396 25927 918 1 2 . 1 1 55 55 THR CA C 55 58.717 58.717 59.779 -1.062 25927 919 1 2 . 1 1 55 55 THR CB C 55 71.839 71.839 71.038 0.801 25927 920 1 2 . 1 1 55 55 THR H H 55 9.250 9.250 8.883 0.367 25927 921 1 2 . 1 1 56 56 VAL N N 56 120.047 120.047 126.019 -5.972 25927 922 1 2 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.707 -0.287 25927 923 1 2 . 1 1 56 56 VAL C C 56 176.226 176.226 176.517 -0.291 25927 924 1 2 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.742 -0.701 25927 925 1 2 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.911 1.850 25927 926 1 2 . 1 1 56 56 VAL H H 56 8.435 8.435 8.898 -0.463 25927 927 1 2 . 1 1 57 57 ASN N N 57 125.479 125.479 126.876 -1.397 25927 928 1 2 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.262 -0.067 25927 929 1 2 . 1 1 57 57 ASN C C 57 175.026 175.026 175.587 -0.561 25927 930 1 2 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.578 -0.882 25927 931 1 2 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.343 -0.344 25927 932 1 2 . 1 1 57 57 ASN H H 57 9.199 9.199 9.412 -0.213 25927 933 1 2 . 1 1 58 58 GLN N N 58 116.897 116.897 116.321 0.576 25927 934 1 2 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.486 -0.300 25927 935 1 2 . 1 1 58 58 GLN C C 58 175.237 175.237 174.789 0.448 25927 936 1 2 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.497 1.342 25927 937 1 2 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.055 -2.472 25927 938 1 2 . 1 1 58 58 GLN H H 58 8.576 8.576 8.245 0.331 25927 939 1 2 . 1 1 59 59 ASP N N 59 122.465 122.465 122.846 -0.381 25927 940 1 2 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.891 -0.175 25927 941 1 2 . 1 1 59 59 ASP C C 59 175.302 175.302 174.480 0.822 25927 942 1 2 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.736 0.397 25927 943 1 2 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.111 -2.658 25927 944 1 2 . 1 1 59 59 ASP H H 59 8.343 8.343 8.244 0.099 25927 945 1 2 . 1 1 60 60 VAL N N 60 124.577 124.577 123.488 1.089 25927 946 1 2 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.131 -0.254 25927 947 1 2 . 1 1 60 60 VAL C C 60 176.802 176.802 175.629 1.173 25927 948 1 2 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.941 0.840 25927 949 1 2 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.715 -0.981 25927 950 1 2 . 1 1 60 60 VAL H H 60 8.754 8.754 8.711 0.043 25927 951 1 2 . 1 1 61 61 ILE N N 61 123.852 123.852 124.415 -0.563 25927 952 1 2 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.569 -0.050 25927 953 1 2 . 1 1 61 61 ILE C C 61 175.073 175.073 175.158 -0.085 25927 954 1 2 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.204 -0.605 25927 955 1 2 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.156 -1.186 25927 956 1 2 . 1 1 61 61 ILE H H 61 8.984 8.984 8.090 0.894 25927 957 1 2 . 1 1 62 62 PHE N N 62 119.927 119.927 121.035 -1.108 25927 958 1 2 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.868 -0.222 25927 959 1 2 . 1 1 62 62 PHE C C 62 171.958 171.958 172.753 -0.795 25927 960 1 2 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.151 1.220 25927 961 1 2 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.770 0.040 25927 962 1 2 . 1 1 62 62 PHE H H 62 7.557 7.557 7.606 -0.049 25927 963 1 2 . 1 1 63 63 GLN N N 63 125.524 125.524 122.748 2.776 25927 964 1 2 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.798 0.311 25927 965 1 2 . 1 1 63 63 GLN C C 63 172.837 172.837 173.548 -0.711 25927 966 1 2 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.886 -0.124 25927 967 1 2 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.780 -0.100 25927 968 1 2 . 1 1 63 63 GLN H H 63 7.389 7.389 7.708 -0.319 25927 969 1 2 . 1 1 64 64 THR N N 64 115.981 115.981 114.366 1.615 25927 970 1 2 . 1 1 64 64 THR HA H 64 4.428 4.428 4.554 -0.126 25927 971 1 2 . 1 1 64 64 THR C C 64 169.980 169.980 171.974 -1.994 25927 972 1 2 . 1 1 64 64 THR CA C 64 60.555 60.555 60.900 -0.345 25927 973 1 2 . 1 1 64 64 THR CB C 64 69.083 69.083 71.144 -2.061 25927 974 1 2 . 1 1 64 64 THR H H 64 8.588 8.588 8.683 -0.095 25927 975 1 2 . 1 1 65 65 PHE N N 65 125.997 125.997 123.760 2.237 25927 976 1 2 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.557 -0.143 25927 977 1 2 . 1 1 65 65 PHE C C 65 173.940 173.940 174.459 -0.519 25927 978 1 2 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.095 0.155 25927 979 1 2 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.246 0.467 25927 980 1 2 . 1 1 65 65 PHE H H 65 8.054 8.054 8.250 -0.196 25927 981 1 2 . 1 1 66 66 LEU N N 66 127.935 127.935 126.399 1.536 25927 982 1 2 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.649 -0.197 25927 983 1 2 . 1 1 66 66 LEU C C 66 174.502 174.502 175.105 -0.603 25927 984 1 2 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.610 -1.001 25927 985 1 2 . 1 1 66 66 LEU H H 66 8.383 8.383 8.643 -0.260 25927 986 1 2 . 1 1 67 67 PHE N N 67 123.162 123.162 119.691 3.471 25927 987 1 2 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.436 -0.812 25927 988 1 2 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.597 -1.470 25927 989 1 2 . 1 1 67 67 PHE H H 67 8.285 8.285 8.920 -0.635 25927 990 1 2 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.499 -0.052 25927 991 1 2 . 1 1 68 68 PRO C C 68 175.918 175.918 177.183 -1.265 25927 992 1 2 . 1 1 68 68 PRO CA C 68 61.623 61.623 63.962 -2.339 25927 993 1 2 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.346 -0.125 25927 994 1 2 . 1 1 69 69 LEU N N 69 121.360 121.360 118.745 2.615 25927 995 1 2 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.347 -0.153 25927 996 1 2 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.739 -0.488 25927 997 1 2 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.318 -1.641 25927 998 1 2 . 1 1 69 69 LEU H H 69 8.300 8.300 8.205 0.095 25927 999 1 2 . 1 1 70 70 LYS N N 70 123.012 123.012 117.191 5.821 25927 1000 1 2 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.667 0.033 25927 1001 1 2 . 1 1 70 70 LYS CB C 70 29.720 29.720 32.790 -3.070 25927 1002 1 2 . 1 1 70 70 LYS H H 70 8.156 8.156 7.960 0.196 25927 1003 1 2 . 1 1 71 71 ARG N N 71 125.250 125.250 120.993 4.257 25927 1004 1 2 . 1 1 71 71 ARG C C 71 179.581 179.581 176.682 2.899 25927 1005 1 2 . 1 1 71 71 ARG CA C 71 57.218 57.218 57.268 -0.050 25927 1006 1 2 . 1 1 71 71 ARG H H 71 8.279 8.279 8.672 -0.393 25927 1007 1 2 . 1 1 72 72 ASP N N 72 119.355 119.355 120.587 -1.232 25927 1008 1 2 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.650 0.096 25927 1009 1 2 . 1 1 72 72 ASP C C 72 177.124 177.124 177.254 -0.130 25927 1010 1 2 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.947 -0.274 25927 1011 1 2 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.224 -0.177 25927 1012 1 2 . 1 1 72 72 ASP H H 72 8.182 8.182 8.652 -0.470 25927 1013 1 2 . 1 1 73 73 PHE N N 73 122.846 122.846 121.694 1.152 25927 1014 1 2 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.127 0.003 25927 1015 1 2 . 1 1 73 73 PHE C C 73 176.729 176.729 176.635 0.094 25927 1016 1 2 . 1 1 73 73 PHE CA C 73 63.022 63.022 61.573 1.449 25927 1017 1 2 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.230 0.974 25927 1018 1 2 . 1 1 73 73 PHE H H 73 8.197 8.197 8.236 -0.039 25927 1019 1 2 . 1 1 74 74 GLU N N 74 118.652 118.652 118.661 -0.009 25927 1020 1 2 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.894 -0.050 25927 1021 1 2 . 1 1 74 74 GLU C C 74 179.310 179.310 178.691 0.619 25927 1022 1 2 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.688 0.963 25927 1023 1 2 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.499 -0.850 25927 1024 1 2 . 1 1 74 74 GLU H H 74 9.098 9.098 8.591 0.507 25927 1025 1 2 . 1 1 75 75 LYS N N 75 117.836 117.836 119.297 -1.461 25927 1026 1 2 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.107 -0.028 25927 1027 1 2 . 1 1 75 75 LYS C C 75 179.312 179.312 179.278 0.034 25927 1028 1 2 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.342 -0.062 25927 1029 1 2 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.241 0.102 25927 1030 1 2 . 1 1 75 75 LYS H H 75 8.078 8.078 7.696 0.382 25927 1031 1 2 . 1 1 76 76 THR N N 76 118.581 118.581 117.847 0.734 25927 1032 1 2 . 1 1 76 76 THR HA H 76 4.168 4.168 4.117 0.051 25927 1033 1 2 . 1 1 76 76 THR C C 76 175.873 175.873 176.789 -0.916 25927 1034 1 2 . 1 1 76 76 THR CA C 76 67.009 67.009 66.988 0.021 25927 1035 1 2 . 1 1 76 76 THR CB C 76 68.404 68.404 68.543 -0.139 25927 1036 1 2 . 1 1 76 76 THR H H 76 8.031 8.031 8.305 -0.274 25927 1037 1 2 . 1 1 77 77 VAL N N 77 122.994 122.994 121.495 1.499 25927 1038 1 2 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.535 -0.143 25927 1039 1 2 . 1 1 77 77 VAL C C 77 177.137 177.137 177.587 -0.450 25927 1040 1 2 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.849 0.606 25927 1041 1 2 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.233 0.340 25927 1042 1 2 . 1 1 77 77 VAL H H 77 7.999 7.999 8.128 -0.129 25927 1043 1 2 . 1 1 78 78 VAL N N 78 117.994 117.994 118.912 -0.918 25927 1044 1 2 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.494 0.054 25927 1045 1 2 . 1 1 78 78 VAL C C 78 177.830 177.830 177.518 0.312 25927 1046 1 2 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.405 0.869 25927 1047 1 2 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.292 0.451 25927 1048 1 2 . 1 1 78 78 VAL H H 78 7.745 7.745 7.961 -0.216 25927 1049 1 2 . 1 1 79 79 ALA N N 79 120.460 120.460 121.213 -0.753 25927 1050 1 2 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.070 0.110 25927 1051 1 2 . 1 1 79 79 ALA C C 79 176.512 176.512 179.144 -2.632 25927 1052 1 2 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.913 0.188 25927 1053 1 2 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.112 0.058 25927 1054 1 2 . 1 1 79 79 ALA H H 79 7.844 7.844 8.423 -0.579 25927 1055 1 2 . 1 1 80 80 ALA N N 80 119.351 119.351 120.620 -1.269 25927 1056 1 2 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.719 -0.723 25927 1057 1 2 . 1 1 80 80 ALA C C 80 180.805 180.805 179.442 1.363 25927 1058 1 2 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.899 -0.242 25927 1059 1 2 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.474 0.884 25927 1060 1 2 . 1 1 80 80 ALA H H 80 8.178 8.178 8.040 0.138 25927 1061 1 2 . 1 1 81 81 LEU N N 81 123.041 123.041 119.485 3.556 25927 1062 1 2 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.003 -0.139 25927 1063 1 2 . 1 1 81 81 LEU C C 81 179.526 179.526 179.071 0.455 25927 1064 1 2 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.755 1.130 25927 1065 1 2 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.602 0.949 25927 1066 1 2 . 1 1 81 81 LEU H H 81 8.469 8.469 7.243 1.226 25927 1067 1 2 . 1 1 82 82 ILE N N 82 119.350 119.350 118.640 0.710 25927 1068 1 2 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.632 0.195 25927 1069 1 2 . 1 1 82 82 ILE C C 82 179.375 179.375 178.120 1.255 25927 1070 1 2 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.301 -0.722 25927 1071 1 2 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.638 0.976 25927 1072 1 2 . 1 1 82 82 ILE H H 82 7.988 7.988 7.313 0.675 25927 1073 1 2 . 1 1 83 83 GLN N N 83 118.033 118.033 118.385 -0.352 25927 1074 1 2 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.922 0.271 25927 1075 1 2 . 1 1 83 83 GLN C C 83 179.932 179.932 178.617 1.315 25927 1076 1 2 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.772 0.391 25927 1077 1 2 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.016 0.678 25927 1078 1 2 . 1 1 83 83 GLN H H 83 8.665 8.665 8.145 0.520 25927 1079 1 2 . 1 1 84 84 THR N N 84 118.583 118.583 115.153 3.430 25927 1080 1 2 . 1 1 84 84 THR HA H 84 3.813 3.813 4.051 -0.238 25927 1081 1 2 . 1 1 84 84 THR C C 84 175.824 175.824 176.232 -0.408 25927 1082 1 2 . 1 1 84 84 THR CA C 84 68.515 68.515 67.546 0.969 25927 1083 1 2 . 1 1 84 84 THR CB C 84 67.514 67.514 68.821 -1.307 25927 1084 1 2 . 1 1 84 84 THR H H 84 8.355 8.355 8.169 0.186 25927 1085 1 2 . 1 1 85 85 GLU N N 85 121.547 121.547 120.330 1.217 25927 1086 1 2 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.084 0.089 25927 1087 1 2 . 1 1 85 85 GLU C C 85 178.637 178.637 178.290 0.347 25927 1088 1 2 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.186 1.190 25927 1089 1 2 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.780 0.432 25927 1090 1 2 . 1 1 85 85 GLU H H 85 7.846 7.846 7.840 0.006 25927 1091 1 2 . 1 1 86 86 GLU N N 86 118.203 118.203 119.400 -1.197 25927 1092 1 2 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.019 0.085 25927 1093 1 2 . 1 1 86 86 GLU C C 86 179.080 179.080 178.805 0.275 25927 1094 1 2 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.021 0.663 25927 1095 1 2 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.110 0.448 25927 1096 1 2 . 1 1 86 86 GLU H H 86 8.154 8.154 8.511 -0.357 25927 1097 1 2 . 1 1 87 87 ALA N N 87 121.242 121.242 121.204 0.038 25927 1098 1 2 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.155 0.021 25927 1099 1 2 . 1 1 87 87 ALA C C 87 181.299 181.299 179.264 2.035 25927 1100 1 2 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.680 0.536 25927 1101 1 2 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.680 0.553 25927 1102 1 2 . 1 1 87 87 ALA H H 87 8.181 8.181 7.453 0.728 25927 1103 1 2 . 1 1 88 88 LEU N N 88 119.086 119.086 117.562 1.524 25927 1104 1 2 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.147 -0.150 25927 1105 1 2 . 1 1 88 88 LEU C C 88 179.526 179.526 178.459 1.067 25927 1106 1 2 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.077 1.471 25927 1107 1 2 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.577 -0.333 25927 1108 1 2 . 1 1 88 88 LEU H H 88 8.379 8.379 7.453 0.926 25927 1109 1 2 . 1 1 89 89 ASN N N 89 119.429 119.429 118.396 1.033 25927 1110 1 2 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.399 0.168 25927 1111 1 2 . 1 1 89 89 ASN C C 89 177.117 177.117 175.700 1.417 25927 1112 1 2 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.838 -0.834 25927 1113 1 2 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.628 -0.279 25927 1114 1 2 . 1 1 89 89 ASN H H 89 8.271 8.271 8.480 -0.209 25927 1115 1 2 . 1 1 90 90 ARG N N 90 118.735 118.735 115.649 3.086 25927 1116 1 2 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.383 -0.230 25927 1117 1 2 . 1 1 90 90 ARG C C 90 177.836 177.836 177.092 0.744 25927 1118 1 2 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.148 2.426 25927 1119 1 2 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.674 -0.444 25927 1120 1 2 . 1 1 90 90 ARG H H 90 8.010 8.010 7.901 0.109 25927 1121 1 2 . 1 1 91 91 ARG N N 91 118.976 118.976 118.910 0.066 25927 1122 1 2 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.258 -0.049 25927 1123 1 2 . 1 1 91 91 ARG C C 91 177.455 177.455 177.824 -0.369 25927 1124 1 2 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.595 -0.569 25927 1125 1 2 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.296 -0.509 25927 1126 1 2 . 1 1 91 91 ARG H H 91 7.833 7.833 7.781 0.052 25927 1127 1 2 . 1 1 92 92 GLN N N 92 118.834 118.834 115.359 3.475 25927 1128 1 2 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.494 -0.237 25927 1129 1 2 . 1 1 92 92 GLN C C 92 177.362 177.362 177.861 -0.499 25927 1130 1 2 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.689 0.799 25927 1131 1 2 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.625 -1.493 25927 1132 1 2 . 1 1 92 92 GLN H H 92 7.988 7.988 8.091 -0.103 25927 1133 1 2 . 1 1 93 93 ILE N N 93 120.499 120.499 122.361 -1.862 25927 1134 1 2 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.715 0.301 25927 1135 1 2 . 1 1 93 93 ILE C C 93 177.002 177.002 177.109 -0.107 25927 1136 1 2 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.618 -1.757 25927 1137 1 2 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.463 1.105 25927 1138 1 2 . 1 1 93 93 ILE H H 93 7.976 7.976 7.683 0.293 25927 1139 1 2 . 1 1 94 94 ASN N N 94 120.172 120.172 118.934 1.238 25927 1140 1 2 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.296 0.343 25927 1141 1 2 . 1 1 94 94 ASN C C 94 176.336 176.336 177.863 -1.527 25927 1142 1 2 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.027 -2.710 25927 1143 1 2 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.257 0.343 25927 1144 1 2 . 1 1 94 94 ASN H H 94 8.272 8.272 8.265 0.007 25927 1145 1 2 . 1 1 95 95 GLN N N 95 120.288 120.288 118.448 1.840 25927 1146 1 2 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.158 0.022 25927 1147 1 2 . 1 1 95 95 GLN C C 95 176.701 176.701 178.091 -1.390 25927 1148 1 2 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.612 -1.433 25927 1149 1 2 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.752 0.244 25927 1150 1 2 . 1 1 95 95 GLN H H 95 8.303 8.303 7.608 0.695 25927 1151 1 2 . 1 1 96 96 ALA N N 96 123.219 123.219 122.039 1.180 25927 1152 1 2 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.161 0.100 25927 1153 1 2 . 1 1 96 96 ALA C C 96 178.429 178.429 179.077 -0.648 25927 1154 1 2 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.618 -1.187 25927 1155 1 2 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.819 -0.046 25927 1156 1 2 . 1 1 96 96 ALA H H 96 8.112 8.112 7.622 0.490 25927 1157 1 2 . 1 1 97 97 LEU N N 97 119.452 119.452 115.879 3.573 25927 1158 1 2 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.283 0.018 25927 1159 1 2 . 1 1 97 97 LEU C C 97 177.834 177.834 178.653 -0.819 25927 1160 1 2 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.315 -1.569 25927 1161 1 2 . 1 1 97 97 LEU CB C 97 42.290 42.290 42.010 0.280 25927 1162 1 2 . 1 1 97 97 LEU H H 97 7.932 7.932 8.094 -0.162 25927 1163 1 2 . 1 1 98 98 LEU N N 98 121.124 121.124 119.438 1.686 25927 1164 1 2 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.295 0.082 25927 1165 1 2 . 1 1 98 98 LEU C C 98 177.729 177.729 177.565 0.164 25927 1166 1 2 . 1 1 98 98 LEU CA C 98 55.426 55.426 55.585 -0.159 25927 1167 1 2 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.491 -0.085 25927 1168 1 2 . 1 1 98 98 LEU H H 98 7.947 7.947 7.831 0.116 25927 1169 1 2 . 1 1 99 99 SER N N 99 115.913 115.913 113.267 2.646 25927 1170 1 2 . 1 1 99 99 SER HA H 99 4.525 4.525 4.093 0.432 25927 1171 1 2 . 1 1 99 99 SER C C 99 174.980 174.980 175.369 -0.389 25927 1172 1 2 . 1 1 99 99 SER CA C 99 58.478 58.478 58.779 -0.301 25927 1173 1 2 . 1 1 99 99 SER CB C 99 63.839 63.839 62.023 1.816 25927 1174 1 2 . 1 1 99 99 SER H H 99 8.238 8.238 8.073 0.165 25927 1175 1 2 . 1 1 100 100 THR N N 100 114.610 114.610 116.973 -2.363 25927 1176 1 2 . 1 1 100 100 THR HA H 100 4.361 4.361 4.151 0.210 25927 1177 1 2 . 1 1 100 100 THR C C 100 175.368 175.368 176.064 -0.696 25927 1178 1 2 . 1 1 100 100 THR CA C 100 62.195 62.195 65.476 -3.281 25927 1179 1 2 . 1 1 100 100 THR CB C 100 69.794 69.794 68.917 0.877 25927 1180 1 2 . 1 1 100 100 THR H H 100 8.140 8.140 7.859 0.281 25927 1181 1 2 . 1 1 101 101 GLY N N 101 110.650 110.650 106.047 4.603 25927 1182 1 2 . 1 1 101 101 GLY C C 101 173.935 173.935 173.125 0.810 25927 1183 1 2 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.920 0.573 25927 1184 1 2 . 1 1 101 101 GLY H H 101 8.353 8.353 8.284 0.069 25927 1185 1 2 . 1 1 102 102 ASP N N 102 120.512 120.512 119.254 1.258 25927 1186 1 2 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.755 -0.152 25927 1187 1 2 . 1 1 102 102 ASP C C 102 176.419 176.419 175.142 1.277 25927 1188 1 2 . 1 1 102 102 ASP CA C 102 54.291 54.291 53.370 0.921 25927 1189 1 2 . 1 1 102 102 ASP CB C 102 41.277 41.277 44.527 -3.250 25927 1190 1 2 . 1 1 102 102 ASP H H 102 8.204 8.204 7.699 0.505 25927 1191 1 2 . 1 1 103 103 LEU N N 103 122.331 122.331 121.397 0.934 25927 1192 1 2 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.289 -0.031 25927 1193 1 2 . 1 1 103 103 LEU C C 103 177.394 177.394 175.425 1.969 25927 1194 1 2 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.644 -0.116 25927 1195 1 2 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.407 -0.179 25927 1196 1 2 . 1 1 103 103 LEU H H 103 8.170 8.170 8.180 -0.010 25927 1197 1 2 . 1 1 104 104 ALA N N 104 123.139 123.139 126.943 -3.804 25927 1198 1 2 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.639 -0.439 25927 1199 1 2 . 1 1 104 104 ALA C C 104 177.730 177.730 175.795 1.935 25927 1200 1 2 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.988 0.786 25927 1201 1 2 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.365 -0.360 25927 1202 1 2 . 1 1 104 104 ALA H H 104 8.150 8.150 8.324 -0.174 25927 1203 1 2 . 1 1 105 105 HIS N N 105 117.105 117.105 120.692 -3.587 25927 1204 1 2 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.693 -0.052 25927 1205 1 2 . 1 1 105 105 HIS C C 105 174.414 174.414 174.638 -0.224 25927 1206 1 2 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.211 -1.691 25927 1207 1 2 . 1 1 105 105 HIS CB C 105 29.278 29.278 31.533 -2.255 25927 1208 1 2 . 1 1 105 105 HIS H H 105 8.239 8.239 8.792 -0.553 25927 1209 1 2 . 1 1 106 106 ASP N N 106 121.315 121.315 118.377 2.938 25927 1210 1 2 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.635 -0.032 25927 1211 1 2 . 1 1 106 106 ASP C C 106 176.370 176.370 176.223 0.147 25927 1212 1 2 . 1 1 106 106 ASP CA C 106 54.319 54.319 53.857 0.462 25927 1213 1 2 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.813 0.601 25927 1214 1 2 . 1 1 106 106 ASP H H 106 8.298 8.298 8.157 0.141 25927 1215 1 2 . 1 1 107 107 GLU N N 107 121.228 121.228 119.409 1.819 25927 1216 1 2 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.325 -0.217 25927 1217 1 2 . 1 1 107 107 GLU C C 107 176.248 176.248 177.071 -0.823 25927 1218 1 2 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.106 0.086 25927 1219 1 2 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.191 -0.096 25927 1220 1 2 . 1 1 107 107 GLU H H 107 8.536 8.536 8.208 0.328 25927 1221 1 3 . 1 1 2 2 VAL N N 2 119.413 119.413 120.674 -1.261 25927 1222 1 3 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.376 -0.244 25927 1223 1 3 . 1 1 2 2 VAL C C 2 175.957 175.957 175.244 0.713 25927 1224 1 3 . 1 1 2 2 VAL CA C 2 62.517 62.517 62.250 0.267 25927 1225 1 3 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.704 -1.028 25927 1226 1 3 . 1 1 2 2 VAL H H 2 8.453 8.453 8.364 0.089 25927 1227 1 3 . 1 1 3 3 GLU N N 3 125.255 125.255 125.776 -0.521 25927 1228 1 3 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.704 -0.356 25927 1229 1 3 . 1 1 3 3 GLU C C 3 176.154 176.154 175.091 1.063 25927 1230 1 3 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.617 0.852 25927 1231 1 3 . 1 1 3 3 GLU CB C 3 30.382 30.382 31.786 -1.404 25927 1232 1 3 . 1 1 3 3 GLU H H 3 8.587 8.587 8.406 0.181 25927 1233 1 3 . 1 1 4 4 VAL N N 4 121.132 121.132 121.186 -0.054 25927 1234 1 3 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.278 -0.157 25927 1235 1 3 . 1 1 4 4 VAL C C 4 175.762 175.762 175.696 0.066 25927 1236 1 3 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.764 0.264 25927 1237 1 3 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.014 -0.958 25927 1238 1 3 . 1 1 4 4 VAL H H 4 8.172 8.172 8.140 0.032 25927 1239 1 3 . 1 1 5 5 GLU N N 5 125.223 125.223 124.671 0.552 25927 1240 1 3 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.288 0.036 25927 1241 1 3 . 1 1 5 5 GLU C C 5 176.006 176.006 176.098 -0.092 25927 1242 1 3 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.591 -0.202 25927 1243 1 3 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.095 2.324 25927 1244 1 3 . 1 1 5 5 GLU H H 5 8.472 8.472 8.753 -0.281 25927 1245 1 3 . 1 1 6 6 VAL N N 6 123.435 123.435 120.991 2.444 25927 1246 1 3 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.952 0.484 25927 1247 1 3 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.584 -4.838 25927 1248 1 3 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.824 1.914 25927 1249 1 3 . 1 1 6 6 VAL H H 6 8.288 8.288 8.014 0.274 25927 1250 1 3 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.602 -0.166 25927 1251 1 3 . 1 1 7 7 PRO C C 7 177.461 177.461 176.481 0.980 25927 1252 1 3 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.332 1.013 25927 1253 1 3 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.754 -0.450 25927 1254 1 3 . 1 1 8 8 GLY N N 8 108.925 108.925 106.386 2.539 25927 1255 1 3 . 1 1 8 8 GLY C C 8 173.995 173.995 173.298 0.697 25927 1256 1 3 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.926 0.500 25927 1257 1 3 . 1 1 8 8 GLY H H 8 8.334 8.334 8.217 0.117 25927 1258 1 3 . 1 1 9 9 LEU N N 9 121.559 121.559 121.128 0.431 25927 1259 1 3 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.752 -0.293 25927 1260 1 3 . 1 1 9 9 LEU C C 9 176.870 176.870 175.755 1.115 25927 1261 1 3 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.425 1.196 25927 1262 1 3 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.220 0.828 25927 1263 1 3 . 1 1 9 9 LEU H H 9 8.150 8.150 8.502 -0.352 25927 1264 1 3 . 1 1 10 10 LEU N N 10 122.690 122.690 122.589 0.101 25927 1265 1 3 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.414 0.747 25927 1266 1 3 . 1 1 10 10 LEU C C 10 177.427 177.427 177.130 0.297 25927 1267 1 3 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.753 -1.891 25927 1268 1 3 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.870 1.778 25927 1269 1 3 . 1 1 10 10 LEU H H 10 8.348 8.348 7.751 0.597 25927 1270 1 3 . 1 1 11 11 THR N N 11 124.118 124.118 119.105 5.013 25927 1271 1 3 . 1 1 11 11 THR HA H 11 4.295 4.295 4.432 -0.137 25927 1272 1 3 . 1 1 11 11 THR C C 11 172.853 172.853 173.885 -1.032 25927 1273 1 3 . 1 1 11 11 THR CA C 11 63.577 63.577 60.924 2.653 25927 1274 1 3 . 1 1 11 11 THR CB C 11 69.325 69.325 71.427 -2.102 25927 1275 1 3 . 1 1 11 11 THR H H 11 9.186 9.186 8.007 1.179 25927 1276 1 3 . 1 1 12 12 ASP N N 12 127.226 127.226 125.542 1.684 25927 1277 1 3 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.884 0.413 25927 1278 1 3 . 1 1 12 12 ASP C C 12 176.060 176.060 175.832 0.228 25927 1279 1 3 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.433 0.346 25927 1280 1 3 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.990 1.054 25927 1281 1 3 . 1 1 12 12 ASP H H 12 8.880 8.880 8.384 0.496 25927 1282 1 3 . 1 1 13 13 HIS N N 13 127.146 127.146 122.094 5.052 25927 1283 1 3 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.435 0.873 25927 1284 1 3 . 1 1 13 13 HIS C C 13 175.365 175.365 173.809 1.556 25927 1285 1 3 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.528 -2.370 25927 1286 1 3 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.750 1.204 25927 1287 1 3 . 1 1 13 13 HIS H H 13 8.867 8.867 7.891 0.976 25927 1288 1 3 . 1 1 14 14 THR N N 14 112.885 112.885 110.063 2.822 25927 1289 1 3 . 1 1 14 14 THR HA H 14 4.522 4.522 4.579 -0.057 25927 1290 1 3 . 1 1 14 14 THR C C 14 174.626 174.626 174.122 0.504 25927 1291 1 3 . 1 1 14 14 THR CA C 14 63.245 63.245 60.626 2.619 25927 1292 1 3 . 1 1 14 14 THR CB C 14 70.178 70.178 70.893 -0.715 25927 1293 1 3 . 1 1 14 14 THR H H 14 8.583 8.583 7.633 0.951 25927 1294 1 3 . 1 1 15 15 VAL N N 15 113.207 113.207 118.456 -5.249 25927 1295 1 3 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.438 0.207 25927 1296 1 3 . 1 1 15 15 VAL C C 15 175.216 175.216 174.930 0.286 25927 1297 1 3 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.661 0.602 25927 1298 1 3 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.080 3.300 25927 1299 1 3 . 1 1 15 15 VAL H H 15 9.104 9.104 8.271 0.833 25927 1300 1 3 . 1 1 16 16 SER N N 16 122.970 122.970 115.361 7.609 25927 1301 1 3 . 1 1 16 16 SER HA H 16 4.196 4.196 4.918 -0.722 25927 1302 1 3 . 1 1 16 16 SER C C 16 174.515 174.515 175.499 -0.984 25927 1303 1 3 . 1 1 16 16 SER CA C 16 57.126 57.126 56.182 0.944 25927 1304 1 3 . 1 1 16 16 SER CB C 16 67.073 67.073 65.156 1.917 25927 1305 1 3 . 1 1 16 16 SER H H 16 9.340 9.340 7.735 1.605 25927 1306 1 3 . 1 1 17 17 SER N N 17 116.643 116.643 122.391 -5.748 25927 1307 1 3 . 1 1 17 17 SER HA H 17 4.157 4.157 4.372 -0.215 25927 1308 1 3 . 1 1 17 17 SER C C 17 176.576 176.576 175.601 0.975 25927 1309 1 3 . 1 1 17 17 SER CA C 17 62.451 62.451 61.013 1.438 25927 1310 1 3 . 1 1 17 17 SER CB C 17 62.539 62.539 62.997 -0.458 25927 1311 1 3 . 1 1 17 17 SER H H 17 8.926 8.926 8.872 0.054 25927 1312 1 3 . 1 1 18 18 ILE N N 18 120.198 120.198 115.419 4.779 25927 1313 1 3 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.437 -0.366 25927 1314 1 3 . 1 1 18 18 ILE C C 18 177.925 177.925 177.876 0.049 25927 1315 1 3 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.444 1.937 25927 1316 1 3 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.296 -0.716 25927 1317 1 3 . 1 1 18 18 ILE H H 18 7.848 7.848 7.560 0.288 25927 1318 1 3 . 1 1 19 19 GLY N N 19 111.905 111.905 108.575 3.330 25927 1319 1 3 . 1 1 19 19 GLY C C 19 176.153 176.153 175.798 0.355 25927 1320 1 3 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.274 -0.434 25927 1321 1 3 . 1 1 19 19 GLY H H 19 7.921 7.921 8.192 -0.271 25927 1322 1 3 . 1 1 20 20 HIS N N 20 120.808 120.808 120.948 -0.140 25927 1323 1 3 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.613 0.149 25927 1324 1 3 . 1 1 20 20 HIS C C 20 178.606 178.606 176.640 1.966 25927 1325 1 3 . 1 1 20 20 HIS CA C 20 57.858 57.858 57.633 0.225 25927 1326 1 3 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.350 -2.635 25927 1327 1 3 . 1 1 20 20 HIS H H 20 8.842 8.842 8.461 0.381 25927 1328 1 3 . 1 1 21 21 ASP N N 21 121.572 121.572 120.075 1.497 25927 1329 1 3 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.482 0.052 25927 1330 1 3 . 1 1 21 21 ASP C C 21 179.630 179.630 178.543 1.087 25927 1331 1 3 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.163 0.342 25927 1332 1 3 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.230 -0.465 25927 1333 1 3 . 1 1 21 21 ASP H H 21 8.592 8.592 7.738 0.854 25927 1334 1 3 . 1 1 22 22 PHE N N 22 123.889 123.889 122.540 1.349 25927 1335 1 3 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.144 -0.049 25927 1336 1 3 . 1 1 22 22 PHE C C 22 175.647 175.647 176.699 -1.052 25927 1337 1 3 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.122 0.806 25927 1338 1 3 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.268 -0.121 25927 1339 1 3 . 1 1 22 22 PHE H H 22 8.790 8.790 9.000 -0.210 25927 1340 1 3 . 1 1 23 23 TYR N N 23 119.855 119.855 120.228 -0.373 25927 1341 1 3 . 1 1 23 23 TYR HA H 23 3.781 3.781 4.027 -0.246 25927 1342 1 3 . 1 1 23 23 TYR C C 23 177.585 177.585 177.389 0.196 25927 1343 1 3 . 1 1 23 23 TYR CA C 23 62.973 62.973 63.044 -0.071 25927 1344 1 3 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.621 -0.242 25927 1345 1 3 . 1 1 23 23 TYR H H 23 9.008 9.008 7.986 1.022 25927 1346 1 3 . 1 1 24 24 ARG N N 24 120.673 120.673 118.553 2.120 25927 1347 1 3 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.888 -0.170 25927 1348 1 3 . 1 1 24 24 ARG C C 24 177.149 177.149 178.755 -1.606 25927 1349 1 3 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.286 0.074 25927 1350 1 3 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.298 0.136 25927 1351 1 3 . 1 1 24 24 ARG H H 24 8.576 8.576 7.756 0.820 25927 1352 1 3 . 1 1 25 25 ALA N N 25 120.718 120.718 122.669 -1.951 25927 1353 1 3 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.113 -0.002 25927 1354 1 3 . 1 1 25 25 ALA C C 25 179.502 179.502 179.079 0.423 25927 1355 1 3 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.833 -0.023 25927 1356 1 3 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.595 0.795 25927 1357 1 3 . 1 1 25 25 ALA H H 25 8.080 8.080 8.423 -0.343 25927 1358 1 3 . 1 1 26 26 PHE N N 26 118.193 118.193 119.191 -0.998 25927 1359 1 3 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.839 -0.341 25927 1360 1 3 . 1 1 26 26 PHE C C 26 177.120 177.120 176.842 0.278 25927 1361 1 3 . 1 1 26 26 PHE CA C 26 61.297 61.297 61.177 0.120 25927 1362 1 3 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.225 0.682 25927 1363 1 3 . 1 1 26 26 PHE H H 26 8.467 8.467 8.245 0.222 25927 1364 1 3 . 1 1 27 27 SER N N 27 112.572 112.572 113.885 -1.313 25927 1365 1 3 . 1 1 27 27 SER HA H 27 3.845 3.845 4.249 -0.404 25927 1366 1 3 . 1 1 27 27 SER C C 27 176.828 176.828 176.451 0.377 25927 1367 1 3 . 1 1 27 27 SER CA C 27 61.656 61.656 61.046 0.610 25927 1368 1 3 . 1 1 27 27 SER CB C 27 62.952 62.952 62.848 0.104 25927 1369 1 3 . 1 1 27 27 SER H H 27 8.477 8.477 8.081 0.396 25927 1370 1 3 . 1 1 28 28 ASP N N 28 119.022 119.022 121.515 -2.493 25927 1371 1 3 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.505 -0.081 25927 1372 1 3 . 1 1 28 28 ASP C C 28 177.325 177.325 177.333 -0.008 25927 1373 1 3 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.408 0.249 25927 1374 1 3 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.961 0.313 25927 1375 1 3 . 1 1 28 28 ASP H H 28 8.019 8.019 8.055 -0.036 25927 1376 1 3 . 1 1 29 29 LYS N N 29 115.330 115.330 115.319 0.011 25927 1377 1 3 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.330 0.029 25927 1378 1 3 . 1 1 29 29 LYS C C 29 175.910 175.910 176.368 -0.458 25927 1379 1 3 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.276 -0.112 25927 1380 1 3 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.767 2.543 25927 1381 1 3 . 1 1 29 29 LYS H H 29 6.910 6.910 7.509 -0.599 25927 1382 1 3 . 1 1 30 30 TRP N N 30 122.847 122.847 123.781 -0.934 25927 1383 1 3 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.075 0.102 25927 1384 1 3 . 1 1 30 30 TRP C C 30 175.188 175.188 175.163 0.025 25927 1385 1 3 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.724 -0.683 25927 1386 1 3 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.792 0.128 25927 1387 1 3 . 1 1 30 30 TRP H H 30 7.638 7.638 7.627 0.011 25927 1388 1 3 . 1 1 31 31 GLU N N 31 128.182 128.182 125.461 2.721 25927 1389 1 3 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.079 0.080 25927 1390 1 3 . 1 1 31 31 GLU C C 31 173.960 173.960 173.937 0.023 25927 1391 1 3 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.279 -0.165 25927 1392 1 3 . 1 1 31 31 GLU CB C 31 31.083 31.083 30.875 0.208 25927 1393 1 3 . 1 1 31 31 GLU H H 31 7.426 7.426 7.473 -0.047 25927 1394 1 3 . 1 1 32 32 SER N N 32 115.672 115.672 118.959 -3.287 25927 1395 1 3 . 1 1 32 32 SER HA H 32 4.100 4.100 4.553 -0.453 25927 1396 1 3 . 1 1 32 32 SER C C 32 173.864 173.864 173.737 0.127 25927 1397 1 3 . 1 1 32 32 SER CA C 32 57.344 57.344 57.399 -0.055 25927 1398 1 3 . 1 1 32 32 SER CB C 32 64.220 64.220 65.546 -1.326 25927 1399 1 3 . 1 1 32 32 SER H H 32 7.276 7.276 7.960 -0.684 25927 1400 1 3 . 1 1 33 33 ASP N N 33 123.759 123.759 121.292 2.467 25927 1401 1 3 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.615 0.008 25927 1402 1 3 . 1 1 33 33 ASP C C 33 176.175 176.175 176.550 -0.375 25927 1403 1 3 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.543 -0.414 25927 1404 1 3 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.523 -0.913 25927 1405 1 3 . 1 1 33 33 ASP H H 33 8.429 8.429 8.636 -0.207 25927 1406 1 3 . 1 1 34 34 TYR N N 34 122.283 122.283 118.222 4.061 25927 1407 1 3 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.608 -0.034 25927 1408 1 3 . 1 1 34 34 TYR C C 34 177.025 177.025 175.804 1.221 25927 1409 1 3 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.690 1.127 25927 1410 1 3 . 1 1 34 34 TYR CB C 34 39.134 39.134 38.912 0.222 25927 1411 1 3 . 1 1 34 34 TYR H H 34 8.649 8.649 7.715 0.934 25927 1412 1 3 . 1 1 35 35 THR N N 35 116.852 116.852 112.385 4.467 25927 1413 1 3 . 1 1 35 35 THR HA H 35 4.311 4.311 4.144 0.167 25927 1414 1 3 . 1 1 35 35 THR C C 35 174.704 174.704 174.141 0.563 25927 1415 1 3 . 1 1 35 35 THR CA C 35 61.364 61.364 63.109 -1.745 25927 1416 1 3 . 1 1 35 35 THR CB C 35 69.454 69.454 68.809 0.645 25927 1417 1 3 . 1 1 35 35 THR H H 35 8.067 8.067 8.439 -0.372 25927 1418 1 3 . 1 1 36 36 GLY N N 36 107.698 107.698 107.358 0.340 25927 1419 1 3 . 1 1 36 36 GLY C C 36 171.455 171.455 174.227 -2.772 25927 1420 1 3 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.075 -0.557 25927 1421 1 3 . 1 1 36 36 GLY H H 36 5.732 5.732 6.603 -0.871 25927 1422 1 3 . 1 1 37 37 ASN N N 37 117.424 117.424 118.937 -1.513 25927 1423 1 3 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.726 0.259 25927 1424 1 3 . 1 1 37 37 ASN C C 37 175.393 175.393 173.677 1.716 25927 1425 1 3 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.262 0.571 25927 1426 1 3 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.255 3.258 25927 1427 1 3 . 1 1 37 37 ASN H H 37 8.346 8.346 8.507 -0.161 25927 1428 1 3 . 1 1 38 38 LEU N N 38 126.809 126.809 118.561 8.248 25927 1429 1 3 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.651 -0.653 25927 1430 1 3 . 1 1 38 38 LEU C C 38 175.770 175.770 175.378 0.392 25927 1431 1 3 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.852 2.162 25927 1432 1 3 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.513 -0.447 25927 1433 1 3 . 1 1 38 38 LEU H H 38 8.469 8.469 7.777 0.692 25927 1434 1 3 . 1 1 39 39 THR N N 39 119.369 119.369 114.325 5.044 25927 1435 1 3 . 1 1 39 39 THR HA H 39 4.799 4.799 4.929 -0.130 25927 1436 1 3 . 1 1 39 39 THR C C 39 172.224 172.224 172.704 -0.480 25927 1437 1 3 . 1 1 39 39 THR CA C 39 61.958 61.958 60.534 1.424 25927 1438 1 3 . 1 1 39 39 THR CB C 39 70.327 70.327 72.119 -1.792 25927 1439 1 3 . 1 1 39 39 THR H H 39 8.849 8.849 8.896 -0.047 25927 1440 1 3 . 1 1 40 40 ILE N N 40 125.490 125.490 123.833 1.657 25927 1441 1 3 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.373 0.147 25927 1442 1 3 . 1 1 40 40 ILE C C 40 173.125 173.125 173.742 -0.617 25927 1443 1 3 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.360 0.821 25927 1444 1 3 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.209 -2.759 25927 1445 1 3 . 1 1 40 40 ILE H H 40 8.562 8.562 7.938 0.624 25927 1446 1 3 . 1 1 41 41 ASN N N 41 124.656 124.656 123.984 0.672 25927 1447 1 3 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.678 -0.778 25927 1448 1 3 . 1 1 41 41 ASN C C 41 173.445 173.445 174.002 -0.557 25927 1449 1 3 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.588 0.491 25927 1450 1 3 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.412 -0.296 25927 1451 1 3 . 1 1 41 41 ASN H H 41 9.173 9.173 8.797 0.376 25927 1452 1 3 . 1 1 42 42 GLU N N 42 120.095 120.095 121.368 -1.273 25927 1453 1 3 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.317 0.068 25927 1454 1 3 . 1 1 42 42 GLU C C 42 173.971 173.971 175.375 -1.404 25927 1455 1 3 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.694 -0.564 25927 1456 1 3 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.226 2.231 25927 1457 1 3 . 1 1 42 42 GLU H H 42 7.741 7.741 8.213 -0.472 25927 1458 1 3 . 1 1 43 43 ARG N N 43 127.178 127.178 121.674 5.504 25927 1459 1 3 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.770 0.263 25927 1460 1 3 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.233 0.462 25927 1461 1 3 . 1 1 43 43 ARG CB C 43 32.488 32.488 31.929 0.559 25927 1462 1 3 . 1 1 43 43 ARG H H 43 9.039 9.039 8.720 0.319 25927 1463 1 3 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.632 0.095 25927 1464 1 3 . 1 1 44 44 PRO C C 44 176.335 176.335 176.378 -0.043 25927 1465 1 3 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.794 0.548 25927 1466 1 3 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.288 0.386 25927 1467 1 3 . 1 1 45 45 SER N N 45 117.089 117.089 122.532 -5.443 25927 1468 1 3 . 1 1 45 45 SER HA H 45 4.837 4.837 4.735 0.102 25927 1469 1 3 . 1 1 45 45 SER C C 45 174.334 174.334 174.829 -0.495 25927 1470 1 3 . 1 1 45 45 SER CA C 45 56.688 56.688 57.538 -0.850 25927 1471 1 3 . 1 1 45 45 SER CB C 45 64.628 64.628 63.747 0.881 25927 1472 1 3 . 1 1 45 45 SER H H 45 8.497 8.497 8.822 -0.325 25927 1473 1 3 . 1 1 46 46 ALA N N 46 126.901 126.901 126.249 0.652 25927 1474 1 3 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.035 0.187 25927 1475 1 3 . 1 1 46 46 ALA C C 46 178.171 178.171 178.513 -0.342 25927 1476 1 3 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.422 -0.334 25927 1477 1 3 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.910 -0.318 25927 1478 1 3 . 1 1 46 46 ALA H H 46 8.780 8.780 8.596 0.184 25927 1479 1 3 . 1 1 47 47 ARG N N 47 117.860 117.860 117.049 0.811 25927 1480 1 3 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.163 0.247 25927 1481 1 3 . 1 1 47 47 ARG C C 47 175.674 175.674 176.484 -0.810 25927 1482 1 3 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.052 -1.800 25927 1483 1 3 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.580 1.006 25927 1484 1 3 . 1 1 47 47 ARG H H 47 8.381 8.381 8.005 0.376 25927 1485 1 3 . 1 1 48 48 ALA N N 48 121.099 121.099 117.786 3.313 25927 1486 1 3 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.665 -0.246 25927 1487 1 3 . 1 1 48 48 ALA C C 48 176.874 176.874 176.023 0.851 25927 1488 1 3 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.240 1.028 25927 1489 1 3 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.830 -2.049 25927 1490 1 3 . 1 1 48 48 ALA H H 48 8.012 8.012 8.224 -0.212 25927 1491 1 3 . 1 1 49 49 GLY N N 49 106.126 106.126 107.053 -0.927 25927 1492 1 3 . 1 1 49 49 GLY C C 49 172.803 172.803 172.043 0.760 25927 1493 1 3 . 1 1 49 49 GLY CA C 49 44.490 44.490 46.030 -1.540 25927 1494 1 3 . 1 1 49 49 GLY H H 49 7.946 7.946 8.428 -0.482 25927 1495 1 3 . 1 1 50 50 SER N N 50 113.972 113.972 115.849 -1.877 25927 1496 1 3 . 1 1 50 50 SER HA H 50 4.736 4.736 5.089 -0.353 25927 1497 1 3 . 1 1 50 50 SER C C 50 171.367 171.367 172.507 -1.140 25927 1498 1 3 . 1 1 50 50 SER CA C 50 57.165 57.165 56.229 0.936 25927 1499 1 3 . 1 1 50 50 SER CB C 50 66.797 66.797 66.263 0.534 25927 1500 1 3 . 1 1 50 50 SER H H 50 7.631 7.631 8.183 -0.552 25927 1501 1 3 . 1 1 51 51 TRP N N 51 121.787 121.787 123.290 -1.503 25927 1502 1 3 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.249 0.607 25927 1503 1 3 . 1 1 51 51 TRP C C 51 176.055 176.055 175.786 0.269 25927 1504 1 3 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.226 -0.433 25927 1505 1 3 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.557 -0.023 25927 1506 1 3 . 1 1 51 51 TRP H H 51 8.588 8.588 8.572 0.016 25927 1507 1 3 . 1 1 52 52 ILE N N 52 126.898 126.898 124.879 2.019 25927 1508 1 3 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.819 0.252 25927 1509 1 3 . 1 1 52 52 ILE C C 52 175.754 175.754 175.129 0.625 25927 1510 1 3 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.546 -1.813 25927 1511 1 3 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.263 0.092 25927 1512 1 3 . 1 1 52 52 ILE H H 52 8.963 8.963 9.086 -0.123 25927 1513 1 3 . 1 1 53 53 THR N N 53 116.271 116.271 123.654 -7.383 25927 1514 1 3 . 1 1 53 53 THR HA H 53 5.095 5.095 4.791 0.304 25927 1515 1 3 . 1 1 53 53 THR C C 53 173.382 173.382 172.848 0.534 25927 1516 1 3 . 1 1 53 53 THR CA C 53 59.290 59.290 61.787 -2.497 25927 1517 1 3 . 1 1 53 53 THR CB C 53 71.819 71.819 70.895 0.924 25927 1518 1 3 . 1 1 53 53 THR H H 53 8.371 8.371 9.143 -0.772 25927 1519 1 3 . 1 1 54 54 ILE N N 54 124.947 124.947 129.697 -4.750 25927 1520 1 3 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.085 0.098 25927 1521 1 3 . 1 1 54 54 ILE C C 54 175.952 175.952 173.893 2.059 25927 1522 1 3 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.352 2.243 25927 1523 1 3 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.842 -2.225 25927 1524 1 3 . 1 1 54 54 ILE H H 54 9.056 9.056 9.044 0.012 25927 1525 1 3 . 1 1 55 55 THR N N 55 118.298 118.298 123.094 -4.796 25927 1526 1 3 . 1 1 55 55 THR HA H 55 5.458 5.458 5.124 0.334 25927 1527 1 3 . 1 1 55 55 THR C C 55 173.980 173.980 173.574 0.406 25927 1528 1 3 . 1 1 55 55 THR CA C 55 58.717 58.717 59.774 -1.057 25927 1529 1 3 . 1 1 55 55 THR CB C 55 71.839 71.839 71.065 0.774 25927 1530 1 3 . 1 1 55 55 THR H H 55 9.250 9.250 8.907 0.343 25927 1531 1 3 . 1 1 56 56 VAL N N 56 120.047 120.047 125.969 -5.922 25927 1532 1 3 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.730 -0.310 25927 1533 1 3 . 1 1 56 56 VAL C C 56 176.226 176.226 176.531 -0.305 25927 1534 1 3 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.683 -0.642 25927 1535 1 3 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.934 1.827 25927 1536 1 3 . 1 1 56 56 VAL H H 56 8.435 8.435 8.816 -0.381 25927 1537 1 3 . 1 1 57 57 ASN N N 57 125.479 125.479 126.866 -1.387 25927 1538 1 3 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.265 -0.070 25927 1539 1 3 . 1 1 57 57 ASN C C 57 175.026 175.026 175.581 -0.555 25927 1540 1 3 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.578 -0.882 25927 1541 1 3 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.343 -0.344 25927 1542 1 3 . 1 1 57 57 ASN H H 57 9.199 9.199 9.388 -0.189 25927 1543 1 3 . 1 1 58 58 GLN N N 58 116.897 116.897 116.331 0.566 25927 1544 1 3 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.486 -0.300 25927 1545 1 3 . 1 1 58 58 GLN C C 58 175.237 175.237 174.788 0.449 25927 1546 1 3 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.498 1.341 25927 1547 1 3 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.055 -2.472 25927 1548 1 3 . 1 1 58 58 GLN H H 58 8.576 8.576 8.250 0.326 25927 1549 1 3 . 1 1 59 59 ASP N N 59 122.465 122.465 122.829 -0.364 25927 1550 1 3 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.896 -0.180 25927 1551 1 3 . 1 1 59 59 ASP C C 59 175.302 175.302 174.489 0.813 25927 1552 1 3 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.725 0.408 25927 1553 1 3 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.115 -2.663 25927 1554 1 3 . 1 1 59 59 ASP H H 59 8.343 8.343 8.235 0.108 25927 1555 1 3 . 1 1 60 60 VAL N N 60 124.577 124.577 123.500 1.077 25927 1556 1 3 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.144 -0.267 25927 1557 1 3 . 1 1 60 60 VAL C C 60 176.802 176.802 175.586 1.216 25927 1558 1 3 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.944 0.837 25927 1559 1 3 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.735 -1.001 25927 1560 1 3 . 1 1 60 60 VAL H H 60 8.754 8.754 8.728 0.026 25927 1561 1 3 . 1 1 61 61 ILE N N 61 123.852 123.852 124.310 -0.458 25927 1562 1 3 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.566 -0.047 25927 1563 1 3 . 1 1 61 61 ILE C C 61 175.073 175.073 175.107 -0.034 25927 1564 1 3 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.181 -0.582 25927 1565 1 3 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.186 -1.216 25927 1566 1 3 . 1 1 61 61 ILE H H 61 8.984 8.984 8.071 0.913 25927 1567 1 3 . 1 1 62 62 PHE N N 62 119.927 119.927 120.844 -0.917 25927 1568 1 3 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.860 -0.214 25927 1569 1 3 . 1 1 62 62 PHE C C 62 171.958 171.958 172.807 -0.849 25927 1570 1 3 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.426 0.945 25927 1571 1 3 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.715 0.095 25927 1572 1 3 . 1 1 62 62 PHE H H 62 7.557 7.557 7.601 -0.044 25927 1573 1 3 . 1 1 63 63 GLN N N 63 125.524 125.524 122.719 2.805 25927 1574 1 3 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.812 0.297 25927 1575 1 3 . 1 1 63 63 GLN C C 63 172.837 172.837 173.545 -0.708 25927 1576 1 3 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.880 -0.118 25927 1577 1 3 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.778 -0.098 25927 1578 1 3 . 1 1 63 63 GLN H H 63 7.389 7.389 7.686 -0.296 25927 1579 1 3 . 1 1 64 64 THR N N 64 115.981 115.981 114.938 1.043 25927 1580 1 3 . 1 1 64 64 THR HA H 64 4.428 4.428 4.513 -0.085 25927 1581 1 3 . 1 1 64 64 THR C C 64 169.980 169.980 172.124 -2.144 25927 1582 1 3 . 1 1 64 64 THR CA C 64 60.555 60.555 61.034 -0.479 25927 1583 1 3 . 1 1 64 64 THR CB C 64 69.083 69.083 71.806 -2.723 25927 1584 1 3 . 1 1 64 64 THR H H 64 8.588 8.588 8.728 -0.140 25927 1585 1 3 . 1 1 65 65 PHE N N 65 125.997 125.997 123.791 2.206 25927 1586 1 3 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.511 -0.097 25927 1587 1 3 . 1 1 65 65 PHE C C 65 173.940 173.940 174.402 -0.462 25927 1588 1 3 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.227 0.023 25927 1589 1 3 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.042 0.671 25927 1590 1 3 . 1 1 65 65 PHE H H 65 8.054 8.054 8.265 -0.211 25927 1591 1 3 . 1 1 66 66 LEU N N 66 127.935 127.935 125.770 2.165 25927 1592 1 3 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.528 -0.076 25927 1593 1 3 . 1 1 66 66 LEU C C 66 174.502 174.502 175.126 -0.624 25927 1594 1 3 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.547 -0.938 25927 1595 1 3 . 1 1 66 66 LEU H H 66 8.383 8.383 8.522 -0.139 25927 1596 1 3 . 1 1 67 67 PHE N N 67 123.162 123.162 119.205 3.957 25927 1597 1 3 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.435 -0.811 25927 1598 1 3 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.736 -1.609 25927 1599 1 3 . 1 1 67 67 PHE H H 67 8.285 8.285 8.781 -0.496 25927 1600 1 3 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.505 -0.058 25927 1601 1 3 . 1 1 68 68 PRO C C 68 175.918 175.918 176.907 -0.989 25927 1602 1 3 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.016 -2.393 25927 1603 1 3 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.325 -0.104 25927 1604 1 3 . 1 1 69 69 LEU N N 69 121.360 121.360 119.994 1.366 25927 1605 1 3 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.302 -0.108 25927 1606 1 3 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.510 -0.259 25927 1607 1 3 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.306 -1.629 25927 1608 1 3 . 1 1 69 69 LEU H H 69 8.300 8.300 8.292 0.008 25927 1609 1 3 . 1 1 70 70 LYS N N 70 123.012 123.012 116.887 6.125 25927 1610 1 3 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.814 -0.114 25927 1611 1 3 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.033 -3.313 25927 1612 1 3 . 1 1 70 70 LYS H H 70 8.156 8.156 7.885 0.271 25927 1613 1 3 . 1 1 71 71 ARG N N 71 125.250 125.250 120.391 4.859 25927 1614 1 3 . 1 1 71 71 ARG C C 71 179.581 179.581 176.687 2.894 25927 1615 1 3 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.416 0.802 25927 1616 1 3 . 1 1 71 71 ARG H H 71 8.279 8.279 8.858 -0.579 25927 1617 1 3 . 1 1 72 72 ASP N N 72 119.355 119.355 120.224 -0.869 25927 1618 1 3 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.539 0.207 25927 1619 1 3 . 1 1 72 72 ASP C C 72 177.124 177.124 177.440 -0.316 25927 1620 1 3 . 1 1 72 72 ASP CA C 72 55.673 55.673 56.004 -0.331 25927 1621 1 3 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.471 -0.424 25927 1622 1 3 . 1 1 72 72 ASP H H 72 8.182 8.182 8.401 -0.219 25927 1623 1 3 . 1 1 73 73 PHE N N 73 122.846 122.846 121.867 0.979 25927 1624 1 3 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.104 0.026 25927 1625 1 3 . 1 1 73 73 PHE C C 73 176.729 176.729 176.822 -0.093 25927 1626 1 3 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.127 0.895 25927 1627 1 3 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.211 0.994 25927 1628 1 3 . 1 1 73 73 PHE H H 73 8.197 8.197 8.350 -0.153 25927 1629 1 3 . 1 1 74 74 GLU N N 74 118.652 118.652 118.582 0.070 25927 1630 1 3 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.891 -0.047 25927 1631 1 3 . 1 1 74 74 GLU C C 74 179.310 179.310 178.718 0.592 25927 1632 1 3 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.717 0.934 25927 1633 1 3 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.375 -0.726 25927 1634 1 3 . 1 1 74 74 GLU H H 74 9.098 9.098 9.077 0.021 25927 1635 1 3 . 1 1 75 75 LYS N N 75 117.836 117.836 119.437 -1.601 25927 1636 1 3 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.091 -0.012 25927 1637 1 3 . 1 1 75 75 LYS C C 75 179.312 179.312 179.337 -0.025 25927 1638 1 3 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.417 -0.137 25927 1639 1 3 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.231 0.112 25927 1640 1 3 . 1 1 75 75 LYS H H 75 8.078 8.078 7.740 0.338 25927 1641 1 3 . 1 1 76 76 THR N N 76 118.581 118.581 117.556 1.025 25927 1642 1 3 . 1 1 76 76 THR HA H 76 4.168 4.168 4.144 0.024 25927 1643 1 3 . 1 1 76 76 THR C C 76 175.873 175.873 176.788 -0.915 25927 1644 1 3 . 1 1 76 76 THR CA C 76 67.009 67.009 66.925 0.084 25927 1645 1 3 . 1 1 76 76 THR CB C 76 68.404 68.404 68.571 -0.167 25927 1646 1 3 . 1 1 76 76 THR H H 76 8.031 8.031 8.351 -0.320 25927 1647 1 3 . 1 1 77 77 VAL N N 77 122.994 122.994 121.703 1.291 25927 1648 1 3 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.541 -0.149 25927 1649 1 3 . 1 1 77 77 VAL C C 77 177.137 177.137 177.578 -0.441 25927 1650 1 3 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.891 0.564 25927 1651 1 3 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.249 0.324 25927 1652 1 3 . 1 1 77 77 VAL H H 77 7.999 7.999 8.136 -0.137 25927 1653 1 3 . 1 1 78 78 VAL N N 78 117.994 117.994 118.912 -0.918 25927 1654 1 3 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.498 0.050 25927 1655 1 3 . 1 1 78 78 VAL C C 78 177.830 177.830 177.533 0.297 25927 1656 1 3 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.433 0.841 25927 1657 1 3 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.289 0.454 25927 1658 1 3 . 1 1 78 78 VAL H H 78 7.745 7.745 7.982 -0.237 25927 1659 1 3 . 1 1 79 79 ALA N N 79 120.460 120.460 121.198 -0.738 25927 1660 1 3 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.073 0.107 25927 1661 1 3 . 1 1 79 79 ALA C C 79 176.512 176.512 179.143 -2.631 25927 1662 1 3 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.927 0.174 25927 1663 1 3 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.110 0.060 25927 1664 1 3 . 1 1 79 79 ALA H H 79 7.844 7.844 8.425 -0.581 25927 1665 1 3 . 1 1 80 80 ALA N N 80 119.351 119.351 120.622 -1.271 25927 1666 1 3 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.721 -0.725 25927 1667 1 3 . 1 1 80 80 ALA C C 80 180.805 180.805 179.458 1.347 25927 1668 1 3 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.897 -0.240 25927 1669 1 3 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.479 0.879 25927 1670 1 3 . 1 1 80 80 ALA H H 80 8.178 8.178 8.024 0.154 25927 1671 1 3 . 1 1 81 81 LEU N N 81 123.041 123.041 119.499 3.542 25927 1672 1 3 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.013 -0.149 25927 1673 1 3 . 1 1 81 81 LEU C C 81 179.526 179.526 179.076 0.450 25927 1674 1 3 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.758 1.127 25927 1675 1 3 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.604 0.947 25927 1676 1 3 . 1 1 81 81 LEU H H 81 8.469 8.469 7.250 1.219 25927 1677 1 3 . 1 1 82 82 ILE N N 82 119.350 119.350 118.697 0.653 25927 1678 1 3 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.637 0.190 25927 1679 1 3 . 1 1 82 82 ILE C C 82 179.375 179.375 178.134 1.241 25927 1680 1 3 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.329 -0.750 25927 1681 1 3 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.647 0.967 25927 1682 1 3 . 1 1 82 82 ILE H H 82 7.988 7.988 7.315 0.673 25927 1683 1 3 . 1 1 83 83 GLN N N 83 118.033 118.033 118.383 -0.350 25927 1684 1 3 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.926 0.267 25927 1685 1 3 . 1 1 83 83 GLN C C 83 179.932 179.932 178.628 1.304 25927 1686 1 3 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.786 0.377 25927 1687 1 3 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.026 0.668 25927 1688 1 3 . 1 1 83 83 GLN H H 83 8.665 8.665 8.151 0.514 25927 1689 1 3 . 1 1 84 84 THR N N 84 118.583 118.583 115.144 3.439 25927 1690 1 3 . 1 1 84 84 THR HA H 84 3.813 3.813 4.054 -0.241 25927 1691 1 3 . 1 1 84 84 THR C C 84 175.824 175.824 176.245 -0.421 25927 1692 1 3 . 1 1 84 84 THR CA C 84 68.515 68.515 67.595 0.920 25927 1693 1 3 . 1 1 84 84 THR CB C 84 67.514 67.514 68.817 -1.303 25927 1694 1 3 . 1 1 84 84 THR H H 84 8.355 8.355 8.188 0.167 25927 1695 1 3 . 1 1 85 85 GLU N N 85 121.547 121.547 120.742 0.805 25927 1696 1 3 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.147 0.026 25927 1697 1 3 . 1 1 85 85 GLU C C 85 178.637 178.637 178.582 0.055 25927 1698 1 3 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.126 1.250 25927 1699 1 3 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.992 0.220 25927 1700 1 3 . 1 1 85 85 GLU H H 85 7.846 7.846 7.846 -0.000 25927 1701 1 3 . 1 1 86 86 GLU N N 86 118.203 118.203 119.427 -1.224 25927 1702 1 3 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.027 0.077 25927 1703 1 3 . 1 1 86 86 GLU C C 86 179.080 179.080 178.827 0.253 25927 1704 1 3 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.050 0.634 25927 1705 1 3 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.110 0.448 25927 1706 1 3 . 1 1 86 86 GLU H H 86 8.154 8.154 8.533 -0.379 25927 1707 1 3 . 1 1 87 87 ALA N N 87 121.242 121.242 121.297 -0.055 25927 1708 1 3 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.155 0.021 25927 1709 1 3 . 1 1 87 87 ALA C C 87 181.299 181.299 179.372 1.927 25927 1710 1 3 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.742 0.474 25927 1711 1 3 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.663 0.570 25927 1712 1 3 . 1 1 87 87 ALA H H 87 8.181 8.181 7.468 0.713 25927 1713 1 3 . 1 1 88 88 LEU N N 88 119.086 119.086 117.854 1.232 25927 1714 1 3 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.099 -0.102 25927 1715 1 3 . 1 1 88 88 LEU C C 88 179.526 179.526 178.184 1.342 25927 1716 1 3 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.024 1.524 25927 1717 1 3 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.453 -0.209 25927 1718 1 3 . 1 1 88 88 LEU H H 88 8.379 8.379 7.466 0.913 25927 1719 1 3 . 1 1 89 89 ASN N N 89 119.429 119.429 118.253 1.176 25927 1720 1 3 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.415 0.152 25927 1721 1 3 . 1 1 89 89 ASN C C 89 177.117 177.117 175.828 1.289 25927 1722 1 3 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.862 -0.858 25927 1723 1 3 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.599 -0.251 25927 1724 1 3 . 1 1 89 89 ASN H H 89 8.271 8.271 8.560 -0.289 25927 1725 1 3 . 1 1 90 90 ARG N N 90 118.735 118.735 116.024 2.711 25927 1726 1 3 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.374 -0.221 25927 1727 1 3 . 1 1 90 90 ARG C C 90 177.836 177.836 177.260 0.576 25927 1728 1 3 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.358 2.216 25927 1729 1 3 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.702 -0.472 25927 1730 1 3 . 1 1 90 90 ARG H H 90 8.010 8.010 7.813 0.197 25927 1731 1 3 . 1 1 91 91 ARG N N 91 118.976 118.976 118.879 0.097 25927 1732 1 3 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.245 -0.036 25927 1733 1 3 . 1 1 91 91 ARG C C 91 177.455 177.455 177.854 -0.399 25927 1734 1 3 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.628 -0.602 25927 1735 1 3 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.251 -0.464 25927 1736 1 3 . 1 1 91 91 ARG H H 91 7.833 7.833 7.713 0.120 25927 1737 1 3 . 1 1 92 92 GLN N N 92 118.834 118.834 115.282 3.552 25927 1738 1 3 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.509 -0.252 25927 1739 1 3 . 1 1 92 92 GLN C C 92 177.362 177.362 177.631 -0.269 25927 1740 1 3 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.781 0.707 25927 1741 1 3 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.658 -1.526 25927 1742 1 3 . 1 1 92 92 GLN H H 92 7.988 7.988 8.106 -0.118 25927 1743 1 3 . 1 1 93 93 ILE N N 93 120.499 120.499 121.758 -1.259 25927 1744 1 3 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.775 0.241 25927 1745 1 3 . 1 1 93 93 ILE C C 93 177.002 177.002 176.862 0.140 25927 1746 1 3 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.868 -2.007 25927 1747 1 3 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.478 1.090 25927 1748 1 3 . 1 1 93 93 ILE H H 93 7.976 7.976 7.756 0.220 25927 1749 1 3 . 1 1 94 94 ASN N N 94 120.172 120.172 119.029 1.143 25927 1750 1 3 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.294 0.345 25927 1751 1 3 . 1 1 94 94 ASN C C 94 176.336 176.336 177.694 -1.358 25927 1752 1 3 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.059 -2.742 25927 1753 1 3 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.534 0.066 25927 1754 1 3 . 1 1 94 94 ASN H H 94 8.272 8.272 8.450 -0.178 25927 1755 1 3 . 1 1 95 95 GLN N N 95 120.288 120.288 118.827 1.461 25927 1756 1 3 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.115 0.065 25927 1757 1 3 . 1 1 95 95 GLN C C 95 176.701 176.701 177.923 -1.222 25927 1758 1 3 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.621 -1.442 25927 1759 1 3 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.668 0.328 25927 1760 1 3 . 1 1 95 95 GLN H H 95 8.303 8.303 7.620 0.683 25927 1761 1 3 . 1 1 96 96 ALA N N 96 123.219 123.219 122.527 0.692 25927 1762 1 3 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.155 0.106 25927 1763 1 3 . 1 1 96 96 ALA C C 96 178.429 178.429 179.793 -1.364 25927 1764 1 3 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.915 -1.483 25927 1765 1 3 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.520 0.253 25927 1766 1 3 . 1 1 96 96 ALA H H 96 8.112 8.112 7.657 0.455 25927 1767 1 3 . 1 1 97 97 LEU N N 97 119.452 119.452 116.322 3.130 25927 1768 1 3 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.240 0.061 25927 1769 1 3 . 1 1 97 97 LEU C C 97 177.834 177.834 178.343 -0.509 25927 1770 1 3 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.370 -1.624 25927 1771 1 3 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.536 0.754 25927 1772 1 3 . 1 1 97 97 LEU H H 97 7.932 7.932 8.310 -0.378 25927 1773 1 3 . 1 1 98 98 LEU N N 98 121.124 121.124 120.346 0.778 25927 1774 1 3 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.172 0.205 25927 1775 1 3 . 1 1 98 98 LEU C C 98 177.729 177.729 179.290 -1.561 25927 1776 1 3 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.054 -1.628 25927 1777 1 3 . 1 1 98 98 LEU CB C 98 42.406 42.406 41.750 0.656 25927 1778 1 3 . 1 1 98 98 LEU H H 98 7.947 7.947 7.753 0.194 25927 1779 1 3 . 1 1 99 99 SER N N 99 115.913 115.913 114.004 1.909 25927 1780 1 3 . 1 1 99 99 SER HA H 99 4.525 4.525 4.285 0.240 25927 1781 1 3 . 1 1 99 99 SER C C 99 174.980 174.980 175.003 -0.023 25927 1782 1 3 . 1 1 99 99 SER CA C 99 58.478 58.478 60.835 -2.357 25927 1783 1 3 . 1 1 99 99 SER CB C 99 63.839 63.839 63.067 0.772 25927 1784 1 3 . 1 1 99 99 SER H H 99 8.238 8.238 8.246 -0.008 25927 1785 1 3 . 1 1 100 100 THR N N 100 114.610 114.610 109.010 5.600 25927 1786 1 3 . 1 1 100 100 THR HA H 100 4.361 4.361 4.446 -0.085 25927 1787 1 3 . 1 1 100 100 THR C C 100 175.368 175.368 174.579 0.789 25927 1788 1 3 . 1 1 100 100 THR CA C 100 62.195 62.195 61.819 0.376 25927 1789 1 3 . 1 1 100 100 THR CB C 100 69.794 69.794 69.188 0.606 25927 1790 1 3 . 1 1 100 100 THR H H 100 8.140 8.140 7.384 0.756 25927 1791 1 3 . 1 1 101 101 GLY N N 101 110.650 110.650 111.008 -0.358 25927 1792 1 3 . 1 1 101 101 GLY C C 101 173.935 173.935 173.509 0.426 25927 1793 1 3 . 1 1 101 101 GLY CA C 101 45.493 45.493 45.634 -0.141 25927 1794 1 3 . 1 1 101 101 GLY H H 101 8.353 8.353 7.663 0.690 25927 1795 1 3 . 1 1 102 102 ASP N N 102 120.512 120.512 121.009 -0.497 25927 1796 1 3 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.554 0.049 25927 1797 1 3 . 1 1 102 102 ASP C C 102 176.419 176.419 176.930 -0.511 25927 1798 1 3 . 1 1 102 102 ASP CA C 102 54.291 54.291 55.113 -0.822 25927 1799 1 3 . 1 1 102 102 ASP CB C 102 41.277 41.277 42.115 -0.838 25927 1800 1 3 . 1 1 102 102 ASP H H 102 8.204 8.204 8.047 0.157 25927 1801 1 3 . 1 1 103 103 LEU N N 103 122.331 122.331 120.297 2.034 25927 1802 1 3 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.403 -0.145 25927 1803 1 3 . 1 1 103 103 LEU C C 103 177.394 177.394 175.683 1.711 25927 1804 1 3 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.640 -0.112 25927 1805 1 3 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.364 -0.136 25927 1806 1 3 . 1 1 103 103 LEU H H 103 8.170 8.170 8.230 -0.060 25927 1807 1 3 . 1 1 104 104 ALA N N 104 123.139 123.139 120.935 2.204 25927 1808 1 3 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.539 -0.339 25927 1809 1 3 . 1 1 104 104 ALA C C 104 177.730 177.730 176.648 1.082 25927 1810 1 3 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.142 0.632 25927 1811 1 3 . 1 1 104 104 ALA CB C 104 19.005 19.005 18.566 0.439 25927 1812 1 3 . 1 1 104 104 ALA H H 104 8.150 8.150 8.290 -0.140 25927 1813 1 3 . 1 1 105 105 HIS N N 105 117.105 117.105 117.824 -0.719 25927 1814 1 3 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.512 0.129 25927 1815 1 3 . 1 1 105 105 HIS C C 105 174.414 174.414 174.506 -0.092 25927 1816 1 3 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.397 -1.877 25927 1817 1 3 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.956 -1.678 25927 1818 1 3 . 1 1 105 105 HIS H H 105 8.239 8.239 7.985 0.254 25927 1819 1 3 . 1 1 106 106 ASP N N 106 121.315 121.315 118.026 3.289 25927 1820 1 3 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.571 0.032 25927 1821 1 3 . 1 1 106 106 ASP C C 106 176.370 176.370 175.962 0.408 25927 1822 1 3 . 1 1 106 106 ASP CA C 106 54.319 54.319 53.494 0.825 25927 1823 1 3 . 1 1 106 106 ASP CB C 106 41.414 41.414 41.157 0.257 25927 1824 1 3 . 1 1 106 106 ASP H H 106 8.298 8.298 8.320 -0.022 25927 1825 1 3 . 1 1 107 107 GLU N N 107 121.228 121.228 119.146 2.082 25927 1826 1 3 . 1 1 107 107 GLU HA H 107 4.108 4.108 3.872 0.236 25927 1827 1 3 . 1 1 107 107 GLU C C 107 176.248 176.248 175.775 0.473 25927 1828 1 3 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.696 -0.504 25927 1829 1 3 . 1 1 107 107 GLU CB C 107 30.095 30.095 29.025 1.070 25927 1830 1 3 . 1 1 107 107 GLU H H 107 8.536 8.536 8.345 0.191 25927 1831 1 4 . 1 1 2 2 VAL N N 2 119.413 119.413 117.990 1.423 25927 1832 1 4 . 1 1 2 2 VAL HA H 2 4.132 4.132 5.028 -0.896 25927 1833 1 4 . 1 1 2 2 VAL C C 2 175.957 175.957 175.313 0.644 25927 1834 1 4 . 1 1 2 2 VAL CA C 2 62.517 62.517 61.588 0.929 25927 1835 1 4 . 1 1 2 2 VAL CB C 2 32.676 32.676 34.159 -1.483 25927 1836 1 4 . 1 1 2 2 VAL H H 2 8.453 8.453 8.987 -0.534 25927 1837 1 4 . 1 1 3 3 GLU N N 3 125.255 125.255 122.319 2.936 25927 1838 1 4 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.807 -0.459 25927 1839 1 4 . 1 1 3 3 GLU C C 3 176.154 176.154 174.746 1.408 25927 1840 1 4 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.398 1.071 25927 1841 1 4 . 1 1 3 3 GLU CB C 3 30.382 30.382 32.603 -2.221 25927 1842 1 4 . 1 1 3 3 GLU H H 3 8.587 8.587 8.760 -0.173 25927 1843 1 4 . 1 1 4 4 VAL N N 4 121.132 121.132 124.056 -2.924 25927 1844 1 4 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.197 -0.076 25927 1845 1 4 . 1 1 4 4 VAL C C 4 175.762 175.762 174.535 1.227 25927 1846 1 4 . 1 1 4 4 VAL CA C 4 62.028 62.028 62.381 -0.353 25927 1847 1 4 . 1 1 4 4 VAL CB C 4 33.056 33.056 32.035 1.021 25927 1848 1 4 . 1 1 4 4 VAL H H 4 8.172 8.172 8.387 -0.215 25927 1849 1 4 . 1 1 5 5 GLU N N 5 125.223 125.223 115.707 9.516 25927 1850 1 4 . 1 1 5 5 GLU HA H 5 4.324 4.324 3.946 0.378 25927 1851 1 4 . 1 1 5 5 GLU C C 5 176.006 176.006 175.702 0.304 25927 1852 1 4 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.806 -0.417 25927 1853 1 4 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.234 2.185 25927 1854 1 4 . 1 1 5 5 GLU H H 5 8.472 8.472 8.181 0.291 25927 1855 1 4 . 1 1 6 6 VAL N N 6 123.435 123.435 117.822 5.613 25927 1856 1 4 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.970 0.466 25927 1857 1 4 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.244 -4.498 25927 1858 1 4 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.899 1.839 25927 1859 1 4 . 1 1 6 6 VAL H H 6 8.288 8.288 8.021 0.267 25927 1860 1 4 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.585 -0.148 25927 1861 1 4 . 1 1 7 7 PRO C C 7 177.461 177.461 176.535 0.926 25927 1862 1 4 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.372 0.973 25927 1863 1 4 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.797 -0.493 25927 1864 1 4 . 1 1 8 8 GLY N N 8 108.925 108.925 106.337 2.588 25927 1865 1 4 . 1 1 8 8 GLY C C 8 173.995 173.995 173.274 0.721 25927 1866 1 4 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.916 0.510 25927 1867 1 4 . 1 1 8 8 GLY H H 8 8.334 8.334 8.202 0.132 25927 1868 1 4 . 1 1 9 9 LEU N N 9 121.559 121.559 120.955 0.604 25927 1869 1 4 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.749 -0.290 25927 1870 1 4 . 1 1 9 9 LEU C C 9 176.870 176.870 175.760 1.110 25927 1871 1 4 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.397 1.224 25927 1872 1 4 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.253 0.795 25927 1873 1 4 . 1 1 9 9 LEU H H 9 8.150 8.150 8.465 -0.315 25927 1874 1 4 . 1 1 10 10 LEU N N 10 122.690 122.690 122.524 0.166 25927 1875 1 4 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.401 0.760 25927 1876 1 4 . 1 1 10 10 LEU C C 10 177.427 177.427 177.126 0.301 25927 1877 1 4 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.770 -1.908 25927 1878 1 4 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.864 1.784 25927 1879 1 4 . 1 1 10 10 LEU H H 10 8.348 8.348 7.740 0.608 25927 1880 1 4 . 1 1 11 11 THR N N 11 124.118 124.118 119.026 5.092 25927 1881 1 4 . 1 1 11 11 THR HA H 11 4.295 4.295 4.422 -0.127 25927 1882 1 4 . 1 1 11 11 THR C C 11 172.853 172.853 173.883 -1.030 25927 1883 1 4 . 1 1 11 11 THR CA C 11 63.577 63.577 60.917 2.660 25927 1884 1 4 . 1 1 11 11 THR CB C 11 69.325 69.325 71.434 -2.109 25927 1885 1 4 . 1 1 11 11 THR H H 11 9.186 9.186 8.015 1.171 25927 1886 1 4 . 1 1 12 12 ASP N N 12 127.226 127.226 125.380 1.846 25927 1887 1 4 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.782 0.515 25927 1888 1 4 . 1 1 12 12 ASP C C 12 176.060 176.060 175.783 0.277 25927 1889 1 4 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.558 0.221 25927 1890 1 4 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.981 1.062 25927 1891 1 4 . 1 1 12 12 ASP H H 12 8.880 8.880 8.395 0.485 25927 1892 1 4 . 1 1 13 13 HIS N N 13 127.146 127.146 121.990 5.156 25927 1893 1 4 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.496 0.812 25927 1894 1 4 . 1 1 13 13 HIS C C 13 175.365 175.365 173.853 1.512 25927 1895 1 4 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.474 -2.316 25927 1896 1 4 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.789 1.165 25927 1897 1 4 . 1 1 13 13 HIS H H 13 8.867 8.867 7.906 0.961 25927 1898 1 4 . 1 1 14 14 THR N N 14 112.885 112.885 110.086 2.799 25927 1899 1 4 . 1 1 14 14 THR HA H 14 4.522 4.522 4.656 -0.134 25927 1900 1 4 . 1 1 14 14 THR C C 14 174.626 174.626 174.333 0.293 25927 1901 1 4 . 1 1 14 14 THR CA C 14 63.245 63.245 60.670 2.575 25927 1902 1 4 . 1 1 14 14 THR CB C 14 70.178 70.178 70.951 -0.773 25927 1903 1 4 . 1 1 14 14 THR H H 14 8.583 8.583 7.730 0.853 25927 1904 1 4 . 1 1 15 15 VAL N N 15 113.207 113.207 120.049 -6.842 25927 1905 1 4 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.578 0.067 25927 1906 1 4 . 1 1 15 15 VAL C C 15 175.216 175.216 174.466 0.750 25927 1907 1 4 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.315 0.948 25927 1908 1 4 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.825 2.555 25927 1909 1 4 . 1 1 15 15 VAL H H 15 9.104 9.104 8.385 0.719 25927 1910 1 4 . 1 1 16 16 SER N N 16 122.970 122.970 115.042 7.928 25927 1911 1 4 . 1 1 16 16 SER HA H 16 4.196 4.196 4.698 -0.502 25927 1912 1 4 . 1 1 16 16 SER C C 16 174.515 174.515 175.761 -1.246 25927 1913 1 4 . 1 1 16 16 SER CA C 16 57.126 57.126 55.795 1.331 25927 1914 1 4 . 1 1 16 16 SER CB C 16 67.073 67.073 65.332 1.741 25927 1915 1 4 . 1 1 16 16 SER H H 16 9.340 9.340 7.681 1.659 25927 1916 1 4 . 1 1 17 17 SER N N 17 116.643 116.643 121.958 -5.315 25927 1917 1 4 . 1 1 17 17 SER HA H 17 4.157 4.157 4.313 -0.156 25927 1918 1 4 . 1 1 17 17 SER C C 17 176.576 176.576 175.578 0.998 25927 1919 1 4 . 1 1 17 17 SER CA C 17 62.451 62.451 61.303 1.148 25927 1920 1 4 . 1 1 17 17 SER CB C 17 62.539 62.539 63.117 -0.578 25927 1921 1 4 . 1 1 17 17 SER H H 17 8.926 8.926 8.913 0.013 25927 1922 1 4 . 1 1 18 18 ILE N N 18 120.198 120.198 114.154 6.044 25927 1923 1 4 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.432 -0.361 25927 1924 1 4 . 1 1 18 18 ILE C C 18 177.925 177.925 177.603 0.322 25927 1925 1 4 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.329 2.052 25927 1926 1 4 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.464 -0.884 25927 1927 1 4 . 1 1 18 18 ILE H H 18 7.848 7.848 7.578 0.270 25927 1928 1 4 . 1 1 19 19 GLY N N 19 111.905 111.905 108.849 3.056 25927 1929 1 4 . 1 1 19 19 GLY C C 19 176.153 176.153 176.201 -0.048 25927 1930 1 4 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.277 -0.437 25927 1931 1 4 . 1 1 19 19 GLY H H 19 7.921 7.921 8.168 -0.247 25927 1932 1 4 . 1 1 20 20 HIS N N 20 120.808 120.808 121.523 -0.715 25927 1933 1 4 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.550 0.212 25927 1934 1 4 . 1 1 20 20 HIS C C 20 178.606 178.606 177.284 1.322 25927 1935 1 4 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.565 -1.707 25927 1936 1 4 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.263 -2.548 25927 1937 1 4 . 1 1 20 20 HIS H H 20 8.842 8.842 8.622 0.220 25927 1938 1 4 . 1 1 21 21 ASP N N 21 121.572 121.572 120.176 1.396 25927 1939 1 4 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.504 0.030 25927 1940 1 4 . 1 1 21 21 ASP C C 21 179.630 179.630 178.373 1.257 25927 1941 1 4 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.937 -0.432 25927 1942 1 4 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.805 -1.040 25927 1943 1 4 . 1 1 21 21 ASP H H 21 8.592 8.592 7.744 0.848 25927 1944 1 4 . 1 1 22 22 PHE N N 22 123.889 123.889 122.644 1.245 25927 1945 1 4 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.106 -0.011 25927 1946 1 4 . 1 1 22 22 PHE C C 22 175.647 175.647 176.670 -1.023 25927 1947 1 4 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.201 0.727 25927 1948 1 4 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.414 -0.267 25927 1949 1 4 . 1 1 22 22 PHE H H 22 8.790 8.790 8.856 -0.066 25927 1950 1 4 . 1 1 23 23 TYR N N 23 119.855 119.855 119.957 -0.102 25927 1951 1 4 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.968 -0.187 25927 1952 1 4 . 1 1 23 23 TYR C C 23 177.585 177.585 177.328 0.257 25927 1953 1 4 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.967 0.007 25927 1954 1 4 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.493 -0.114 25927 1955 1 4 . 1 1 23 23 TYR H H 23 9.008 9.008 7.973 1.035 25927 1956 1 4 . 1 1 24 24 ARG N N 24 120.673 120.673 118.396 2.277 25927 1957 1 4 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.844 -0.126 25927 1958 1 4 . 1 1 24 24 ARG C C 24 177.149 177.149 178.693 -1.544 25927 1959 1 4 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.169 0.191 25927 1960 1 4 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.276 0.158 25927 1961 1 4 . 1 1 24 24 ARG H H 24 8.576 8.576 7.640 0.936 25927 1962 1 4 . 1 1 25 25 ALA N N 25 120.718 120.718 122.775 -2.057 25927 1963 1 4 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.098 0.013 25927 1964 1 4 . 1 1 25 25 ALA C C 25 179.502 179.502 179.083 0.419 25927 1965 1 4 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.852 -0.042 25927 1966 1 4 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.555 0.835 25927 1967 1 4 . 1 1 25 25 ALA H H 25 8.080 8.080 8.442 -0.362 25927 1968 1 4 . 1 1 26 26 PHE N N 26 118.193 118.193 119.138 -0.945 25927 1969 1 4 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.836 -0.338 25927 1970 1 4 . 1 1 26 26 PHE C C 26 177.120 177.120 176.837 0.283 25927 1971 1 4 . 1 1 26 26 PHE CA C 26 61.297 61.297 61.140 0.157 25927 1972 1 4 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.226 0.681 25927 1973 1 4 . 1 1 26 26 PHE H H 26 8.467 8.467 8.194 0.273 25927 1974 1 4 . 1 1 27 27 SER N N 27 112.572 112.572 113.853 -1.281 25927 1975 1 4 . 1 1 27 27 SER HA H 27 3.845 3.845 4.245 -0.400 25927 1976 1 4 . 1 1 27 27 SER C C 27 176.828 176.828 176.452 0.376 25927 1977 1 4 . 1 1 27 27 SER CA C 27 61.656 61.656 61.022 0.634 25927 1978 1 4 . 1 1 27 27 SER CB C 27 62.952 62.952 62.847 0.105 25927 1979 1 4 . 1 1 27 27 SER H H 27 8.477 8.477 8.057 0.420 25927 1980 1 4 . 1 1 28 28 ASP N N 28 119.022 119.022 121.548 -2.526 25927 1981 1 4 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.494 -0.070 25927 1982 1 4 . 1 1 28 28 ASP C C 28 177.325 177.325 177.349 -0.024 25927 1983 1 4 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.398 0.259 25927 1984 1 4 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.937 0.337 25927 1985 1 4 . 1 1 28 28 ASP H H 28 8.019 8.019 8.111 -0.092 25927 1986 1 4 . 1 1 29 29 LYS N N 29 115.330 115.330 115.638 -0.308 25927 1987 1 4 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.375 -0.016 25927 1988 1 4 . 1 1 29 29 LYS C C 29 175.910 175.910 176.341 -0.431 25927 1989 1 4 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.303 -0.139 25927 1990 1 4 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.672 2.638 25927 1991 1 4 . 1 1 29 29 LYS H H 29 6.910 6.910 7.535 -0.625 25927 1992 1 4 . 1 1 30 30 TRP N N 30 122.847 122.847 123.602 -0.755 25927 1993 1 4 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.101 0.076 25927 1994 1 4 . 1 1 30 30 TRP C C 30 175.188 175.188 175.083 0.105 25927 1995 1 4 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.801 -0.760 25927 1996 1 4 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.609 0.311 25927 1997 1 4 . 1 1 30 30 TRP H H 30 7.638 7.638 7.573 0.065 25927 1998 1 4 . 1 1 31 31 GLU N N 31 128.182 128.182 125.649 2.533 25927 1999 1 4 . 1 1 31 31 GLU HA H 31 4.159 4.159 3.981 0.178 25927 2000 1 4 . 1 1 31 31 GLU C C 31 173.960 173.960 173.439 0.521 25927 2001 1 4 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.551 -0.437 25927 2002 1 4 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.287 -0.204 25927 2003 1 4 . 1 1 31 31 GLU H H 31 7.426 7.426 7.277 0.149 25927 2004 1 4 . 1 1 32 32 SER N N 32 115.672 115.672 117.076 -1.404 25927 2005 1 4 . 1 1 32 32 SER HA H 32 4.100 4.100 4.639 -0.539 25927 2006 1 4 . 1 1 32 32 SER C C 32 173.864 173.864 173.483 0.381 25927 2007 1 4 . 1 1 32 32 SER CA C 32 57.344 57.344 57.644 -0.300 25927 2008 1 4 . 1 1 32 32 SER CB C 32 64.220 64.220 65.244 -1.024 25927 2009 1 4 . 1 1 32 32 SER H H 32 7.276 7.276 7.987 -0.711 25927 2010 1 4 . 1 1 33 33 ASP N N 33 123.759 123.759 121.424 2.335 25927 2011 1 4 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.615 0.008 25927 2012 1 4 . 1 1 33 33 ASP C C 33 176.175 176.175 176.545 -0.370 25927 2013 1 4 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.749 -0.620 25927 2014 1 4 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.172 -0.562 25927 2015 1 4 . 1 1 33 33 ASP H H 33 8.429 8.429 8.689 -0.260 25927 2016 1 4 . 1 1 34 34 TYR N N 34 122.283 122.283 119.064 3.219 25927 2017 1 4 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.590 -0.016 25927 2018 1 4 . 1 1 34 34 TYR C C 34 177.025 177.025 176.368 0.657 25927 2019 1 4 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.118 1.699 25927 2020 1 4 . 1 1 34 34 TYR CB C 34 39.134 39.134 38.921 0.213 25927 2021 1 4 . 1 1 34 34 TYR H H 34 8.649 8.649 7.704 0.945 25927 2022 1 4 . 1 1 35 35 THR N N 35 116.852 116.852 112.882 3.970 25927 2023 1 4 . 1 1 35 35 THR HA H 35 4.311 4.311 4.089 0.222 25927 2024 1 4 . 1 1 35 35 THR C C 35 174.704 174.704 174.594 0.110 25927 2025 1 4 . 1 1 35 35 THR CA C 35 61.364 61.364 62.913 -1.549 25927 2026 1 4 . 1 1 35 35 THR CB C 35 69.454 69.454 68.962 0.492 25927 2027 1 4 . 1 1 35 35 THR H H 35 8.067 8.067 8.439 -0.372 25927 2028 1 4 . 1 1 36 36 GLY N N 36 107.698 107.698 107.363 0.335 25927 2029 1 4 . 1 1 36 36 GLY C C 36 171.455 171.455 174.260 -2.805 25927 2030 1 4 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.093 -0.575 25927 2031 1 4 . 1 1 36 36 GLY H H 36 5.732 5.732 6.586 -0.854 25927 2032 1 4 . 1 1 37 37 ASN N N 37 117.424 117.424 118.959 -1.535 25927 2033 1 4 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.715 0.270 25927 2034 1 4 . 1 1 37 37 ASN C C 37 175.393 175.393 173.689 1.704 25927 2035 1 4 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.315 0.518 25927 2036 1 4 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.208 3.305 25927 2037 1 4 . 1 1 37 37 ASN H H 37 8.346 8.346 8.545 -0.199 25927 2038 1 4 . 1 1 38 38 LEU N N 38 126.809 126.809 118.415 8.394 25927 2039 1 4 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.640 -0.642 25927 2040 1 4 . 1 1 38 38 LEU C C 38 175.770 175.770 175.357 0.413 25927 2041 1 4 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.847 2.167 25927 2042 1 4 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.572 -0.506 25927 2043 1 4 . 1 1 38 38 LEU H H 38 8.469 8.469 7.808 0.661 25927 2044 1 4 . 1 1 39 39 THR N N 39 119.369 119.369 114.169 5.200 25927 2045 1 4 . 1 1 39 39 THR HA H 39 4.799 4.799 4.914 -0.115 25927 2046 1 4 . 1 1 39 39 THR C C 39 172.224 172.224 172.690 -0.466 25927 2047 1 4 . 1 1 39 39 THR CA C 39 61.958 61.958 60.562 1.396 25927 2048 1 4 . 1 1 39 39 THR CB C 39 70.327 70.327 72.119 -1.792 25927 2049 1 4 . 1 1 39 39 THR H H 39 8.849 8.849 8.906 -0.057 25927 2050 1 4 . 1 1 40 40 ILE N N 40 125.490 125.490 123.842 1.648 25927 2051 1 4 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.376 0.144 25927 2052 1 4 . 1 1 40 40 ILE C C 40 173.125 173.125 173.746 -0.621 25927 2053 1 4 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.356 0.825 25927 2054 1 4 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.190 -2.740 25927 2055 1 4 . 1 1 40 40 ILE H H 40 8.562 8.562 7.940 0.622 25927 2056 1 4 . 1 1 41 41 ASN N N 41 124.656 124.656 124.020 0.636 25927 2057 1 4 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.699 -0.799 25927 2058 1 4 . 1 1 41 41 ASN C C 41 173.445 173.445 174.010 -0.565 25927 2059 1 4 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.598 0.481 25927 2060 1 4 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.427 -0.311 25927 2061 1 4 . 1 1 41 41 ASN H H 41 9.173 9.173 8.795 0.378 25927 2062 1 4 . 1 1 42 42 GLU N N 42 120.095 120.095 121.286 -1.191 25927 2063 1 4 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.327 0.058 25927 2064 1 4 . 1 1 42 42 GLU C C 42 173.971 173.971 175.342 -1.371 25927 2065 1 4 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.723 -0.593 25927 2066 1 4 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.300 2.156 25927 2067 1 4 . 1 1 42 42 GLU H H 42 7.741 7.741 8.238 -0.497 25927 2068 1 4 . 1 1 43 43 ARG N N 43 127.178 127.178 121.479 5.699 25927 2069 1 4 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.782 0.251 25927 2070 1 4 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.269 0.426 25927 2071 1 4 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.030 0.458 25927 2072 1 4 . 1 1 43 43 ARG H H 43 9.039 9.039 8.703 0.336 25927 2073 1 4 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.809 -0.082 25927 2074 1 4 . 1 1 44 44 PRO C C 44 176.335 176.335 176.301 0.034 25927 2075 1 4 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.520 0.822 25927 2076 1 4 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.250 0.424 25927 2077 1 4 . 1 1 45 45 SER N N 45 117.089 117.089 122.489 -5.400 25927 2078 1 4 . 1 1 45 45 SER HA H 45 4.837 4.837 4.718 0.119 25927 2079 1 4 . 1 1 45 45 SER C C 45 174.334 174.334 174.512 -0.178 25927 2080 1 4 . 1 1 45 45 SER CA C 45 56.688 56.688 57.527 -0.839 25927 2081 1 4 . 1 1 45 45 SER CB C 45 64.628 64.628 64.891 -0.263 25927 2082 1 4 . 1 1 45 45 SER H H 45 8.497 8.497 8.930 -0.433 25927 2083 1 4 . 1 1 46 46 ALA N N 46 126.901 126.901 128.188 -1.287 25927 2084 1 4 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.054 0.168 25927 2085 1 4 . 1 1 46 46 ALA C C 46 178.171 178.171 178.491 -0.320 25927 2086 1 4 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.198 -0.110 25927 2087 1 4 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.950 -0.358 25927 2088 1 4 . 1 1 46 46 ALA H H 46 8.780 8.780 8.723 0.057 25927 2089 1 4 . 1 1 47 47 ARG N N 47 117.860 117.860 117.155 0.705 25927 2090 1 4 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.146 0.264 25927 2091 1 4 . 1 1 47 47 ARG C C 47 175.674 175.674 176.496 -0.822 25927 2092 1 4 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.055 -1.803 25927 2093 1 4 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.609 0.977 25927 2094 1 4 . 1 1 47 47 ARG H H 47 8.381 8.381 8.021 0.360 25927 2095 1 4 . 1 1 48 48 ALA N N 48 121.099 121.099 117.436 3.663 25927 2096 1 4 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.597 -0.178 25927 2097 1 4 . 1 1 48 48 ALA C C 48 176.874 176.874 175.893 0.981 25927 2098 1 4 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.200 1.068 25927 2099 1 4 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.448 -1.667 25927 2100 1 4 . 1 1 48 48 ALA H H 48 8.012 8.012 8.094 -0.082 25927 2101 1 4 . 1 1 49 49 GLY N N 49 106.126 106.126 107.307 -1.181 25927 2102 1 4 . 1 1 49 49 GLY C C 49 172.803 172.803 172.091 0.712 25927 2103 1 4 . 1 1 49 49 GLY CA C 49 44.490 44.490 46.029 -1.539 25927 2104 1 4 . 1 1 49 49 GLY H H 49 7.946 7.946 8.525 -0.579 25927 2105 1 4 . 1 1 50 50 SER N N 50 113.972 113.972 116.257 -2.285 25927 2106 1 4 . 1 1 50 50 SER HA H 50 4.736 4.736 5.151 -0.415 25927 2107 1 4 . 1 1 50 50 SER C C 50 171.367 171.367 172.640 -1.273 25927 2108 1 4 . 1 1 50 50 SER CA C 50 57.165 57.165 56.182 0.983 25927 2109 1 4 . 1 1 50 50 SER CB C 50 66.797 66.797 66.261 0.536 25927 2110 1 4 . 1 1 50 50 SER H H 50 7.631 7.631 8.176 -0.545 25927 2111 1 4 . 1 1 51 51 TRP N N 51 121.787 121.787 123.620 -1.833 25927 2112 1 4 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.149 0.707 25927 2113 1 4 . 1 1 51 51 TRP C C 51 176.055 176.055 175.783 0.272 25927 2114 1 4 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.245 -0.452 25927 2115 1 4 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.454 0.080 25927 2116 1 4 . 1 1 51 51 TRP H H 51 8.588 8.588 8.587 0.001 25927 2117 1 4 . 1 1 52 52 ILE N N 52 126.898 126.898 124.980 1.918 25927 2118 1 4 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.809 0.262 25927 2119 1 4 . 1 1 52 52 ILE C C 52 175.754 175.754 175.130 0.624 25927 2120 1 4 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.531 -1.798 25927 2121 1 4 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.220 0.135 25927 2122 1 4 . 1 1 52 52 ILE H H 52 8.963 8.963 9.079 -0.116 25927 2123 1 4 . 1 1 53 53 THR N N 53 116.271 116.271 123.706 -7.435 25927 2124 1 4 . 1 1 53 53 THR HA H 53 5.095 5.095 4.780 0.315 25927 2125 1 4 . 1 1 53 53 THR C C 53 173.382 173.382 172.842 0.540 25927 2126 1 4 . 1 1 53 53 THR CA C 53 59.290 59.290 61.763 -2.473 25927 2127 1 4 . 1 1 53 53 THR CB C 53 71.819 71.819 70.883 0.936 25927 2128 1 4 . 1 1 53 53 THR H H 53 8.371 8.371 9.147 -0.776 25927 2129 1 4 . 1 1 54 54 ILE N N 54 124.947 124.947 129.712 -4.765 25927 2130 1 4 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.084 0.099 25927 2131 1 4 . 1 1 54 54 ILE C C 54 175.952 175.952 173.906 2.046 25927 2132 1 4 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.347 2.247 25927 2133 1 4 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.789 -2.172 25927 2134 1 4 . 1 1 54 54 ILE H H 54 9.056 9.056 9.028 0.028 25927 2135 1 4 . 1 1 55 55 THR N N 55 118.298 118.298 123.133 -4.835 25927 2136 1 4 . 1 1 55 55 THR HA H 55 5.458 5.458 5.121 0.337 25927 2137 1 4 . 1 1 55 55 THR C C 55 173.980 173.980 173.556 0.424 25927 2138 1 4 . 1 1 55 55 THR CA C 55 58.717 58.717 59.775 -1.058 25927 2139 1 4 . 1 1 55 55 THR CB C 55 71.839 71.839 71.041 0.798 25927 2140 1 4 . 1 1 55 55 THR H H 55 9.250 9.250 8.893 0.357 25927 2141 1 4 . 1 1 56 56 VAL N N 56 120.047 120.047 125.937 -5.890 25927 2142 1 4 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.703 -0.283 25927 2143 1 4 . 1 1 56 56 VAL C C 56 176.226 176.226 176.492 -0.266 25927 2144 1 4 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.663 -0.622 25927 2145 1 4 . 1 1 56 56 VAL CB C 56 33.761 33.761 32.073 1.688 25927 2146 1 4 . 1 1 56 56 VAL H H 56 8.435 8.435 8.808 -0.373 25927 2147 1 4 . 1 1 57 57 ASN N N 57 125.479 125.479 126.867 -1.388 25927 2148 1 4 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.265 -0.070 25927 2149 1 4 . 1 1 57 57 ASN C C 57 175.026 175.026 175.559 -0.533 25927 2150 1 4 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.575 -0.879 25927 2151 1 4 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.355 -0.356 25927 2152 1 4 . 1 1 57 57 ASN H H 57 9.199 9.199 9.391 -0.192 25927 2153 1 4 . 1 1 58 58 GLN N N 58 116.897 116.897 116.334 0.563 25927 2154 1 4 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.485 -0.299 25927 2155 1 4 . 1 1 58 58 GLN C C 58 175.237 175.237 174.790 0.447 25927 2156 1 4 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.498 1.341 25927 2157 1 4 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.057 -2.474 25927 2158 1 4 . 1 1 58 58 GLN H H 58 8.576 8.576 8.249 0.327 25927 2159 1 4 . 1 1 59 59 ASP N N 59 122.465 122.465 122.823 -0.358 25927 2160 1 4 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.896 -0.180 25927 2161 1 4 . 1 1 59 59 ASP C C 59 175.302 175.302 174.481 0.821 25927 2162 1 4 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.727 0.406 25927 2163 1 4 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.138 -2.684 25927 2164 1 4 . 1 1 59 59 ASP H H 59 8.343 8.343 8.248 0.095 25927 2165 1 4 . 1 1 60 60 VAL N N 60 124.577 124.577 123.511 1.066 25927 2166 1 4 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.141 -0.264 25927 2167 1 4 . 1 1 60 60 VAL C C 60 176.802 176.802 175.603 1.199 25927 2168 1 4 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.933 0.848 25927 2169 1 4 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.727 -0.993 25927 2170 1 4 . 1 1 60 60 VAL H H 60 8.754 8.754 8.729 0.025 25927 2171 1 4 . 1 1 61 61 ILE N N 61 123.852 123.852 124.509 -0.657 25927 2172 1 4 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.578 -0.059 25927 2173 1 4 . 1 1 61 61 ILE C C 61 175.073 175.073 175.173 -0.100 25927 2174 1 4 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.223 -0.624 25927 2175 1 4 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.182 -1.212 25927 2176 1 4 . 1 1 61 61 ILE H H 61 8.984 8.984 8.076 0.908 25927 2177 1 4 . 1 1 62 62 PHE N N 62 119.927 119.927 121.060 -1.133 25927 2178 1 4 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.876 -0.230 25927 2179 1 4 . 1 1 62 62 PHE C C 62 171.958 171.958 172.764 -0.806 25927 2180 1 4 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.122 1.249 25927 2181 1 4 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.784 0.026 25927 2182 1 4 . 1 1 62 62 PHE H H 62 7.557 7.557 7.611 -0.054 25927 2183 1 4 . 1 1 63 63 GLN N N 63 125.524 125.524 122.728 2.796 25927 2184 1 4 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.800 0.309 25927 2185 1 4 . 1 1 63 63 GLN C C 63 172.837 172.837 173.558 -0.721 25927 2186 1 4 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.900 -0.138 25927 2187 1 4 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.781 -0.101 25927 2188 1 4 . 1 1 63 63 GLN H H 63 7.389 7.389 7.719 -0.330 25927 2189 1 4 . 1 1 64 64 THR N N 64 115.981 115.981 114.923 1.058 25927 2190 1 4 . 1 1 64 64 THR HA H 64 4.428 4.428 4.542 -0.114 25927 2191 1 4 . 1 1 64 64 THR C C 64 169.980 169.980 172.155 -2.175 25927 2192 1 4 . 1 1 64 64 THR CA C 64 60.555 60.555 61.056 -0.501 25927 2193 1 4 . 1 1 64 64 THR CB C 64 69.083 69.083 71.824 -2.741 25927 2194 1 4 . 1 1 64 64 THR H H 64 8.588 8.588 8.736 -0.148 25927 2195 1 4 . 1 1 65 65 PHE N N 65 125.997 125.997 123.792 2.205 25927 2196 1 4 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.562 -0.148 25927 2197 1 4 . 1 1 65 65 PHE C C 65 173.940 173.940 174.492 -0.552 25927 2198 1 4 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.239 0.011 25927 2199 1 4 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.088 0.625 25927 2200 1 4 . 1 1 65 65 PHE H H 65 8.054 8.054 8.303 -0.249 25927 2201 1 4 . 1 1 66 66 LEU N N 66 127.935 127.935 125.763 2.172 25927 2202 1 4 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.588 -0.136 25927 2203 1 4 . 1 1 66 66 LEU C C 66 174.502 174.502 175.244 -0.742 25927 2204 1 4 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.536 -0.927 25927 2205 1 4 . 1 1 66 66 LEU H H 66 8.383 8.383 8.594 -0.211 25927 2206 1 4 . 1 1 67 67 PHE N N 67 123.162 123.162 119.387 3.775 25927 2207 1 4 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.449 -0.825 25927 2208 1 4 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.711 -1.584 25927 2209 1 4 . 1 1 67 67 PHE H H 67 8.285 8.285 8.801 -0.516 25927 2210 1 4 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.507 -0.060 25927 2211 1 4 . 1 1 68 68 PRO C C 68 175.918 175.918 177.113 -1.195 25927 2212 1 4 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.048 -2.425 25927 2213 1 4 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.306 -0.085 25927 2214 1 4 . 1 1 69 69 LEU N N 69 121.360 121.360 118.299 3.061 25927 2215 1 4 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.350 -0.156 25927 2216 1 4 . 1 1 69 69 LEU CA C 69 55.251 55.251 56.190 -0.939 25927 2217 1 4 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.304 -1.627 25927 2218 1 4 . 1 1 69 69 LEU H H 69 8.300 8.300 8.265 0.035 25927 2219 1 4 . 1 1 70 70 LYS N N 70 123.012 123.012 118.728 4.284 25927 2220 1 4 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.728 -0.028 25927 2221 1 4 . 1 1 70 70 LYS CB C 70 29.720 29.720 32.856 -3.136 25927 2222 1 4 . 1 1 70 70 LYS H H 70 8.156 8.156 7.900 0.256 25927 2223 1 4 . 1 1 71 71 ARG N N 71 125.250 125.250 120.413 4.837 25927 2224 1 4 . 1 1 71 71 ARG C C 71 179.581 179.581 176.734 2.847 25927 2225 1 4 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.445 0.773 25927 2226 1 4 . 1 1 71 71 ARG H H 71 8.279 8.279 8.819 -0.540 25927 2227 1 4 . 1 1 72 72 ASP N N 72 119.355 119.355 119.918 -0.563 25927 2228 1 4 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.557 0.189 25927 2229 1 4 . 1 1 72 72 ASP C C 72 177.124 177.124 177.263 -0.139 25927 2230 1 4 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.840 -0.167 25927 2231 1 4 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.552 -0.505 25927 2232 1 4 . 1 1 72 72 ASP H H 72 8.182 8.182 8.295 -0.113 25927 2233 1 4 . 1 1 73 73 PHE N N 73 122.846 122.846 121.983 0.863 25927 2234 1 4 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.132 -0.002 25927 2235 1 4 . 1 1 73 73 PHE C C 73 176.729 176.729 176.817 -0.088 25927 2236 1 4 . 1 1 73 73 PHE CA C 73 63.022 63.022 61.895 1.127 25927 2237 1 4 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.197 1.007 25927 2238 1 4 . 1 1 73 73 PHE H H 73 8.197 8.197 8.307 -0.110 25927 2239 1 4 . 1 1 74 74 GLU N N 74 118.652 118.652 118.637 0.015 25927 2240 1 4 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.892 -0.048 25927 2241 1 4 . 1 1 74 74 GLU C C 74 179.310 179.310 178.716 0.594 25927 2242 1 4 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.662 0.989 25927 2243 1 4 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.420 -0.771 25927 2244 1 4 . 1 1 74 74 GLU H H 74 9.098 9.098 8.968 0.130 25927 2245 1 4 . 1 1 75 75 LYS N N 75 117.836 117.836 119.517 -1.681 25927 2246 1 4 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.088 -0.009 25927 2247 1 4 . 1 1 75 75 LYS C C 75 179.312 179.312 179.345 -0.033 25927 2248 1 4 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.409 -0.129 25927 2249 1 4 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.209 0.134 25927 2250 1 4 . 1 1 75 75 LYS H H 75 8.078 8.078 7.796 0.282 25927 2251 1 4 . 1 1 76 76 THR N N 76 118.581 118.581 117.540 1.041 25927 2252 1 4 . 1 1 76 76 THR HA H 76 4.168 4.168 4.153 0.015 25927 2253 1 4 . 1 1 76 76 THR C C 76 175.873 175.873 176.803 -0.930 25927 2254 1 4 . 1 1 76 76 THR CA C 76 67.009 67.009 66.921 0.089 25927 2255 1 4 . 1 1 76 76 THR CB C 76 68.404 68.404 68.581 -0.176 25927 2256 1 4 . 1 1 76 76 THR H H 76 8.031 8.031 8.386 -0.355 25927 2257 1 4 . 1 1 77 77 VAL N N 77 122.994 122.994 121.745 1.249 25927 2258 1 4 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.544 -0.152 25927 2259 1 4 . 1 1 77 77 VAL C C 77 177.137 177.137 177.587 -0.450 25927 2260 1 4 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.908 0.547 25927 2261 1 4 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.255 0.318 25927 2262 1 4 . 1 1 77 77 VAL H H 77 7.999 7.999 8.135 -0.136 25927 2263 1 4 . 1 1 78 78 VAL N N 78 117.994 117.994 118.899 -0.905 25927 2264 1 4 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.499 0.049 25927 2265 1 4 . 1 1 78 78 VAL C C 78 177.830 177.830 177.552 0.278 25927 2266 1 4 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.432 0.842 25927 2267 1 4 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.284 0.459 25927 2268 1 4 . 1 1 78 78 VAL H H 78 7.745 7.745 7.965 -0.220 25927 2269 1 4 . 1 1 79 79 ALA N N 79 120.460 120.460 121.229 -0.769 25927 2270 1 4 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.073 0.107 25927 2271 1 4 . 1 1 79 79 ALA C C 79 176.512 176.512 179.155 -2.643 25927 2272 1 4 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.938 0.163 25927 2273 1 4 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.114 0.056 25927 2274 1 4 . 1 1 79 79 ALA H H 79 7.844 7.844 8.438 -0.594 25927 2275 1 4 . 1 1 80 80 ALA N N 80 119.351 119.351 120.597 -1.246 25927 2276 1 4 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.758 -0.762 25927 2277 1 4 . 1 1 80 80 ALA C C 80 180.805 180.805 179.456 1.349 25927 2278 1 4 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.915 -0.258 25927 2279 1 4 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.498 0.860 25927 2280 1 4 . 1 1 80 80 ALA H H 80 8.178 8.178 8.081 0.097 25927 2281 1 4 . 1 1 81 81 LEU N N 81 123.041 123.041 119.499 3.542 25927 2282 1 4 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.029 -0.165 25927 2283 1 4 . 1 1 81 81 LEU C C 81 179.526 179.526 179.072 0.454 25927 2284 1 4 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.766 1.119 25927 2285 1 4 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.602 0.949 25927 2286 1 4 . 1 1 81 81 LEU H H 81 8.469 8.469 7.264 1.205 25927 2287 1 4 . 1 1 82 82 ILE N N 82 119.350 119.350 118.752 0.598 25927 2288 1 4 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.645 0.182 25927 2289 1 4 . 1 1 82 82 ILE C C 82 179.375 179.375 178.194 1.181 25927 2290 1 4 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.319 -0.740 25927 2291 1 4 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.657 0.957 25927 2292 1 4 . 1 1 82 82 ILE H H 82 7.988 7.988 7.318 0.670 25927 2293 1 4 . 1 1 83 83 GLN N N 83 118.033 118.033 118.364 -0.331 25927 2294 1 4 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.927 0.266 25927 2295 1 4 . 1 1 83 83 GLN C C 83 179.932 179.932 178.632 1.300 25927 2296 1 4 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.777 0.386 25927 2297 1 4 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.007 0.687 25927 2298 1 4 . 1 1 83 83 GLN H H 83 8.665 8.665 8.181 0.484 25927 2299 1 4 . 1 1 84 84 THR N N 84 118.583 118.583 116.201 2.382 25927 2300 1 4 . 1 1 84 84 THR HA H 84 3.813 3.813 4.077 -0.264 25927 2301 1 4 . 1 1 84 84 THR C C 84 175.824 175.824 176.217 -0.393 25927 2302 1 4 . 1 1 84 84 THR CA C 84 68.515 68.515 67.395 1.120 25927 2303 1 4 . 1 1 84 84 THR CB C 84 67.514 67.514 68.851 -1.337 25927 2304 1 4 . 1 1 84 84 THR H H 84 8.355 8.355 8.165 0.190 25927 2305 1 4 . 1 1 85 85 GLU N N 85 121.547 121.547 120.664 0.883 25927 2306 1 4 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.103 0.070 25927 2307 1 4 . 1 1 85 85 GLU C C 85 178.637 178.637 178.578 0.059 25927 2308 1 4 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.177 1.199 25927 2309 1 4 . 1 1 85 85 GLU CB C 85 29.212 29.212 29.051 0.161 25927 2310 1 4 . 1 1 85 85 GLU H H 85 7.846 7.846 7.739 0.107 25927 2311 1 4 . 1 1 86 86 GLU N N 86 118.203 118.203 120.066 -1.863 25927 2312 1 4 . 1 1 86 86 GLU HA H 86 4.104 4.104 3.972 0.132 25927 2313 1 4 . 1 1 86 86 GLU C C 86 179.080 179.080 178.872 0.208 25927 2314 1 4 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.212 0.472 25927 2315 1 4 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.181 0.377 25927 2316 1 4 . 1 1 86 86 GLU H H 86 8.154 8.154 8.502 -0.348 25927 2317 1 4 . 1 1 87 87 ALA N N 87 121.242 121.242 121.390 -0.148 25927 2318 1 4 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.134 0.042 25927 2319 1 4 . 1 1 87 87 ALA C C 87 181.299 181.299 179.069 2.230 25927 2320 1 4 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.863 0.353 25927 2321 1 4 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.652 0.581 25927 2322 1 4 . 1 1 87 87 ALA H H 87 8.181 8.181 7.477 0.704 25927 2323 1 4 . 1 1 88 88 LEU N N 88 119.086 119.086 117.369 1.717 25927 2324 1 4 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.061 -0.064 25927 2325 1 4 . 1 1 88 88 LEU C C 88 179.526 179.526 178.441 1.085 25927 2326 1 4 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.198 1.350 25927 2327 1 4 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.405 -0.161 25927 2328 1 4 . 1 1 88 88 LEU H H 88 8.379 8.379 7.396 0.983 25927 2329 1 4 . 1 1 89 89 ASN N N 89 119.429 119.429 118.530 0.899 25927 2330 1 4 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.477 0.090 25927 2331 1 4 . 1 1 89 89 ASN C C 89 177.117 177.117 176.941 0.176 25927 2332 1 4 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.776 -0.772 25927 2333 1 4 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.442 -0.093 25927 2334 1 4 . 1 1 89 89 ASN H H 89 8.271 8.271 8.753 -0.482 25927 2335 1 4 . 1 1 90 90 ARG N N 90 118.735 118.735 118.108 0.627 25927 2336 1 4 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.394 -0.241 25927 2337 1 4 . 1 1 90 90 ARG C C 90 177.836 177.836 177.275 0.561 25927 2338 1 4 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.603 1.970 25927 2339 1 4 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.241 -0.011 25927 2340 1 4 . 1 1 90 90 ARG H H 90 8.010 8.010 7.859 0.151 25927 2341 1 4 . 1 1 91 91 ARG N N 91 118.976 118.976 118.626 0.350 25927 2342 1 4 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.261 -0.052 25927 2343 1 4 . 1 1 91 91 ARG C C 91 177.455 177.455 177.880 -0.425 25927 2344 1 4 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.488 -0.462 25927 2345 1 4 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.020 -0.233 25927 2346 1 4 . 1 1 91 91 ARG H H 91 7.833 7.833 7.543 0.290 25927 2347 1 4 . 1 1 92 92 GLN N N 92 118.834 118.834 115.226 3.608 25927 2348 1 4 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.486 -0.229 25927 2349 1 4 . 1 1 92 92 GLN C C 92 177.362 177.362 177.931 -0.569 25927 2350 1 4 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.722 0.766 25927 2351 1 4 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.575 -1.443 25927 2352 1 4 . 1 1 92 92 GLN H H 92 7.988 7.988 8.189 -0.201 25927 2353 1 4 . 1 1 93 93 ILE N N 93 120.499 120.499 121.896 -1.397 25927 2354 1 4 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.777 0.239 25927 2355 1 4 . 1 1 93 93 ILE C C 93 177.002 177.002 177.038 -0.036 25927 2356 1 4 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.835 -1.974 25927 2357 1 4 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.464 1.104 25927 2358 1 4 . 1 1 93 93 ILE H H 93 7.976 7.976 7.817 0.159 25927 2359 1 4 . 1 1 94 94 ASN N N 94 120.172 120.172 118.931 1.241 25927 2360 1 4 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.295 0.344 25927 2361 1 4 . 1 1 94 94 ASN C C 94 176.336 176.336 177.672 -1.336 25927 2362 1 4 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.023 -2.706 25927 2363 1 4 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.406 0.194 25927 2364 1 4 . 1 1 94 94 ASN H H 94 8.272 8.272 8.162 0.111 25927 2365 1 4 . 1 1 95 95 GLN N N 95 120.288 120.288 119.269 1.019 25927 2366 1 4 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.037 0.143 25927 2367 1 4 . 1 1 95 95 GLN C C 95 176.701 176.701 177.846 -1.145 25927 2368 1 4 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.629 -1.450 25927 2369 1 4 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.639 0.357 25927 2370 1 4 . 1 1 95 95 GLN H H 95 8.303 8.303 7.524 0.779 25927 2371 1 4 . 1 1 96 96 ALA N N 96 123.219 123.219 122.968 0.251 25927 2372 1 4 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.067 0.194 25927 2373 1 4 . 1 1 96 96 ALA C C 96 178.429 178.429 179.598 -1.169 25927 2374 1 4 . 1 1 96 96 ALA CA C 96 53.432 53.432 55.096 -1.663 25927 2375 1 4 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.680 0.093 25927 2376 1 4 . 1 1 96 96 ALA H H 96 8.112 8.112 7.665 0.447 25927 2377 1 4 . 1 1 97 97 LEU N N 97 119.452 119.452 115.728 3.724 25927 2378 1 4 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.673 -0.372 25927 2379 1 4 . 1 1 97 97 LEU C C 97 177.834 177.834 177.840 -0.006 25927 2380 1 4 . 1 1 97 97 LEU CA C 97 55.746 55.746 56.897 -1.151 25927 2381 1 4 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.831 0.459 25927 2382 1 4 . 1 1 97 97 LEU H H 97 7.932 7.932 8.145 -0.213 25927 2383 1 4 . 1 1 98 98 LEU N N 98 121.124 121.124 118.861 2.263 25927 2384 1 4 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.149 0.228 25927 2385 1 4 . 1 1 98 98 LEU C C 98 177.729 177.729 177.534 0.195 25927 2386 1 4 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.175 -1.748 25927 2387 1 4 . 1 1 98 98 LEU CB C 98 42.406 42.406 43.528 -1.122 25927 2388 1 4 . 1 1 98 98 LEU H H 98 7.947 7.947 7.450 0.497 25927 2389 1 4 . 1 1 99 99 SER N N 99 115.913 115.913 109.999 5.914 25927 2390 1 4 . 1 1 99 99 SER HA H 99 4.525 4.525 4.530 -0.005 25927 2391 1 4 . 1 1 99 99 SER C C 99 174.980 174.980 174.826 0.154 25927 2392 1 4 . 1 1 99 99 SER CA C 99 58.478 58.478 58.772 -0.293 25927 2393 1 4 . 1 1 99 99 SER CB C 99 63.839 63.839 65.433 -1.594 25927 2394 1 4 . 1 1 99 99 SER H H 99 8.238 8.238 8.560 -0.322 25927 2395 1 4 . 1 1 100 100 THR N N 100 114.610 114.610 120.355 -5.745 25927 2396 1 4 . 1 1 100 100 THR HA H 100 4.361 4.361 4.300 0.061 25927 2397 1 4 . 1 1 100 100 THR C C 100 175.368 175.368 174.830 0.538 25927 2398 1 4 . 1 1 100 100 THR CA C 100 62.195 62.195 62.691 -0.496 25927 2399 1 4 . 1 1 100 100 THR CB C 100 69.794 69.794 67.308 2.486 25927 2400 1 4 . 1 1 100 100 THR H H 100 8.140 8.140 8.076 0.064 25927 2401 1 4 . 1 1 101 101 GLY N N 101 110.650 110.650 109.826 0.824 25927 2402 1 4 . 1 1 101 101 GLY C C 101 173.935 173.935 174.087 -0.152 25927 2403 1 4 . 1 1 101 101 GLY CA C 101 45.493 45.493 45.442 0.051 25927 2404 1 4 . 1 1 101 101 GLY H H 101 8.353 8.353 8.051 0.302 25927 2405 1 4 . 1 1 102 102 ASP N N 102 120.512 120.512 119.166 1.346 25927 2406 1 4 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.995 -0.392 25927 2407 1 4 . 1 1 102 102 ASP C C 102 176.419 176.419 176.110 0.309 25927 2408 1 4 . 1 1 102 102 ASP CA C 102 54.291 54.291 53.638 0.653 25927 2409 1 4 . 1 1 102 102 ASP CB C 102 41.277 41.277 43.727 -2.450 25927 2410 1 4 . 1 1 102 102 ASP H H 102 8.204 8.204 7.521 0.683 25927 2411 1 4 . 1 1 103 103 LEU N N 103 122.331 122.331 117.531 4.800 25927 2412 1 4 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.492 -0.234 25927 2413 1 4 . 1 1 103 103 LEU C C 103 177.394 177.394 176.604 0.790 25927 2414 1 4 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.473 0.055 25927 2415 1 4 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.827 -0.599 25927 2416 1 4 . 1 1 103 103 LEU H H 103 8.170 8.170 8.448 -0.278 25927 2417 1 4 . 1 1 104 104 ALA N N 104 123.139 123.139 122.595 0.544 25927 2418 1 4 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.614 -0.414 25927 2419 1 4 . 1 1 104 104 ALA C C 104 177.730 177.730 177.038 0.692 25927 2420 1 4 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.358 0.416 25927 2421 1 4 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.096 -0.091 25927 2422 1 4 . 1 1 104 104 ALA H H 104 8.150 8.150 8.655 -0.505 25927 2423 1 4 . 1 1 105 105 HIS N N 105 117.105 117.105 118.603 -1.498 25927 2424 1 4 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.517 0.124 25927 2425 1 4 . 1 1 105 105 HIS C C 105 174.414 174.414 175.567 -1.153 25927 2426 1 4 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.980 -2.460 25927 2427 1 4 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.291 -1.013 25927 2428 1 4 . 1 1 105 105 HIS H H 105 8.239 8.239 8.496 -0.257 25927 2429 1 4 . 1 1 106 106 ASP N N 106 121.315 121.315 117.069 4.246 25927 2430 1 4 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.501 0.102 25927 2431 1 4 . 1 1 106 106 ASP C C 106 176.370 176.370 175.657 0.713 25927 2432 1 4 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.403 -0.084 25927 2433 1 4 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.017 1.397 25927 2434 1 4 . 1 1 106 106 ASP H H 106 8.298 8.298 8.117 0.181 25927 2435 1 4 . 1 1 107 107 GLU N N 107 121.228 121.228 119.342 1.886 25927 2436 1 4 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.307 -0.199 25927 2437 1 4 . 1 1 107 107 GLU C C 107 176.248 176.248 177.095 -0.847 25927 2438 1 4 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.224 -0.032 25927 2439 1 4 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.004 0.091 25927 2440 1 4 . 1 1 107 107 GLU H H 107 8.536 8.536 8.619 -0.083 25927 2441 1 5 . 1 1 2 2 VAL N N 2 119.413 119.413 120.281 -0.868 25927 2442 1 5 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.398 -0.266 25927 2443 1 5 . 1 1 2 2 VAL C C 2 175.957 175.957 174.915 1.042 25927 2444 1 5 . 1 1 2 2 VAL CA C 2 62.517 62.517 62.425 0.092 25927 2445 1 5 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.644 -0.968 25927 2446 1 5 . 1 1 2 2 VAL H H 2 8.453 8.453 8.356 0.097 25927 2447 1 5 . 1 1 3 3 GLU N N 3 125.255 125.255 125.983 -0.728 25927 2448 1 5 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.470 -0.122 25927 2449 1 5 . 1 1 3 3 GLU C C 3 176.154 176.154 174.852 1.302 25927 2450 1 5 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.267 0.202 25927 2451 1 5 . 1 1 3 3 GLU CB C 3 30.382 30.382 30.850 -0.468 25927 2452 1 5 . 1 1 3 3 GLU H H 3 8.587 8.587 8.341 0.246 25927 2453 1 5 . 1 1 4 4 VAL N N 4 121.132 121.132 124.761 -3.629 25927 2454 1 5 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.239 -0.118 25927 2455 1 5 . 1 1 4 4 VAL C C 4 175.762 175.762 175.351 0.411 25927 2456 1 5 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.692 0.336 25927 2457 1 5 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.507 -1.450 25927 2458 1 5 . 1 1 4 4 VAL H H 4 8.172 8.172 8.294 -0.122 25927 2459 1 5 . 1 1 5 5 GLU N N 5 125.223 125.223 124.779 0.444 25927 2460 1 5 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.300 0.024 25927 2461 1 5 . 1 1 5 5 GLU C C 5 176.006 176.006 176.075 -0.069 25927 2462 1 5 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.544 -0.155 25927 2463 1 5 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.162 2.257 25927 2464 1 5 . 1 1 5 5 GLU H H 5 8.472 8.472 8.749 -0.277 25927 2465 1 5 . 1 1 6 6 VAL N N 6 123.435 123.435 121.145 2.290 25927 2466 1 5 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.963 0.473 25927 2467 1 5 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.541 -4.795 25927 2468 1 5 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.905 1.833 25927 2469 1 5 . 1 1 6 6 VAL H H 6 8.288 8.288 8.001 0.287 25927 2470 1 5 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.600 -0.164 25927 2471 1 5 . 1 1 7 7 PRO C C 7 177.461 177.461 176.434 1.027 25927 2472 1 5 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.288 1.058 25927 2473 1 5 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.762 -0.458 25927 2474 1 5 . 1 1 8 8 GLY N N 8 108.925 108.925 106.356 2.569 25927 2475 1 5 . 1 1 8 8 GLY C C 8 173.995 173.995 173.278 0.717 25927 2476 1 5 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.922 0.504 25927 2477 1 5 . 1 1 8 8 GLY H H 8 8.334 8.334 8.198 0.136 25927 2478 1 5 . 1 1 9 9 LEU N N 9 121.559 121.559 121.037 0.522 25927 2479 1 5 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.746 -0.287 25927 2480 1 5 . 1 1 9 9 LEU C C 9 176.870 176.870 175.758 1.112 25927 2481 1 5 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.413 1.208 25927 2482 1 5 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.235 0.813 25927 2483 1 5 . 1 1 9 9 LEU H H 9 8.150 8.150 8.479 -0.329 25927 2484 1 5 . 1 1 10 10 LEU N N 10 122.690 122.690 122.584 0.106 25927 2485 1 5 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.409 0.752 25927 2486 1 5 . 1 1 10 10 LEU C C 10 177.427 177.427 177.123 0.304 25927 2487 1 5 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.752 -1.890 25927 2488 1 5 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.848 1.800 25927 2489 1 5 . 1 1 10 10 LEU H H 10 8.348 8.348 7.745 0.603 25927 2490 1 5 . 1 1 11 11 THR N N 11 124.118 124.118 119.114 5.004 25927 2491 1 5 . 1 1 11 11 THR HA H 11 4.295 4.295 4.430 -0.135 25927 2492 1 5 . 1 1 11 11 THR C C 11 172.853 172.853 173.897 -1.044 25927 2493 1 5 . 1 1 11 11 THR CA C 11 63.577 63.577 60.931 2.646 25927 2494 1 5 . 1 1 11 11 THR CB C 11 69.325 69.325 71.411 -2.086 25927 2495 1 5 . 1 1 11 11 THR H H 11 9.186 9.186 8.008 1.178 25927 2496 1 5 . 1 1 12 12 ASP N N 12 127.226 127.226 125.513 1.713 25927 2497 1 5 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.821 0.476 25927 2498 1 5 . 1 1 12 12 ASP C C 12 176.060 176.060 175.822 0.238 25927 2499 1 5 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.553 0.226 25927 2500 1 5 . 1 1 12 12 ASP CB C 12 39.044 39.044 38.009 1.035 25927 2501 1 5 . 1 1 12 12 ASP H H 12 8.880 8.880 8.404 0.476 25927 2502 1 5 . 1 1 13 13 HIS N N 13 127.146 127.146 122.038 5.108 25927 2503 1 5 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.456 0.852 25927 2504 1 5 . 1 1 13 13 HIS C C 13 175.365 175.365 173.812 1.553 25927 2505 1 5 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.494 -2.336 25927 2506 1 5 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.774 1.180 25927 2507 1 5 . 1 1 13 13 HIS H H 13 8.867 8.867 7.900 0.967 25927 2508 1 5 . 1 1 14 14 THR N N 14 112.885 112.885 110.078 2.807 25927 2509 1 5 . 1 1 14 14 THR HA H 14 4.522 4.522 4.616 -0.094 25927 2510 1 5 . 1 1 14 14 THR C C 14 174.626 174.626 174.208 0.418 25927 2511 1 5 . 1 1 14 14 THR CA C 14 63.245 63.245 60.683 2.562 25927 2512 1 5 . 1 1 14 14 THR CB C 14 70.178 70.178 70.915 -0.737 25927 2513 1 5 . 1 1 14 14 THR H H 14 8.583 8.583 7.667 0.916 25927 2514 1 5 . 1 1 15 15 VAL N N 15 113.207 113.207 118.527 -5.320 25927 2515 1 5 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.444 0.201 25927 2516 1 5 . 1 1 15 15 VAL C C 15 175.216 175.216 174.537 0.679 25927 2517 1 5 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.606 0.657 25927 2518 1 5 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.523 2.857 25927 2519 1 5 . 1 1 15 15 VAL H H 15 9.104 9.104 8.281 0.823 25927 2520 1 5 . 1 1 16 16 SER N N 16 122.970 122.970 115.064 7.906 25927 2521 1 5 . 1 1 16 16 SER HA H 16 4.196 4.196 4.786 -0.590 25927 2522 1 5 . 1 1 16 16 SER C C 16 174.515 174.515 175.815 -1.300 25927 2523 1 5 . 1 1 16 16 SER CA C 16 57.126 57.126 56.150 0.976 25927 2524 1 5 . 1 1 16 16 SER CB C 16 67.073 67.073 65.089 1.984 25927 2525 1 5 . 1 1 16 16 SER H H 16 9.340 9.340 7.637 1.703 25927 2526 1 5 . 1 1 17 17 SER N N 17 116.643 116.643 122.279 -5.636 25927 2527 1 5 . 1 1 17 17 SER HA H 17 4.157 4.157 4.326 -0.169 25927 2528 1 5 . 1 1 17 17 SER C C 17 176.576 176.576 175.750 0.826 25927 2529 1 5 . 1 1 17 17 SER CA C 17 62.451 62.451 61.571 0.881 25927 2530 1 5 . 1 1 17 17 SER CB C 17 62.539 62.539 63.025 -0.486 25927 2531 1 5 . 1 1 17 17 SER H H 17 8.926 8.926 8.929 -0.003 25927 2532 1 5 . 1 1 18 18 ILE N N 18 120.198 120.198 114.275 5.923 25927 2533 1 5 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.379 -0.308 25927 2534 1 5 . 1 1 18 18 ILE C C 18 177.925 177.925 177.566 0.359 25927 2535 1 5 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.419 1.962 25927 2536 1 5 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.114 -0.534 25927 2537 1 5 . 1 1 18 18 ILE H H 18 7.848 7.848 7.506 0.342 25927 2538 1 5 . 1 1 19 19 GLY N N 19 111.905 111.905 108.629 3.276 25927 2539 1 5 . 1 1 19 19 GLY C C 19 176.153 176.153 175.844 0.309 25927 2540 1 5 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.252 -0.412 25927 2541 1 5 . 1 1 19 19 GLY H H 19 7.921 7.921 8.146 -0.225 25927 2542 1 5 . 1 1 20 20 HIS N N 20 120.808 120.808 121.291 -0.483 25927 2543 1 5 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.526 0.236 25927 2544 1 5 . 1 1 20 20 HIS C C 20 178.606 178.606 176.520 2.086 25927 2545 1 5 . 1 1 20 20 HIS CA C 20 57.858 57.858 58.149 -0.291 25927 2546 1 5 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.328 -2.613 25927 2547 1 5 . 1 1 20 20 HIS H H 20 8.842 8.842 8.537 0.305 25927 2548 1 5 . 1 1 21 21 ASP N N 21 121.572 121.572 119.762 1.810 25927 2549 1 5 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.399 0.135 25927 2550 1 5 . 1 1 21 21 ASP C C 21 179.630 179.630 178.630 1.000 25927 2551 1 5 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.093 0.413 25927 2552 1 5 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.121 -0.356 25927 2553 1 5 . 1 1 21 21 ASP H H 21 8.592 8.592 7.740 0.852 25927 2554 1 5 . 1 1 22 22 PHE N N 22 123.889 123.889 122.495 1.394 25927 2555 1 5 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.141 -0.046 25927 2556 1 5 . 1 1 22 22 PHE C C 22 175.647 175.647 176.715 -1.068 25927 2557 1 5 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.130 0.798 25927 2558 1 5 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.250 -0.103 25927 2559 1 5 . 1 1 22 22 PHE H H 22 8.790 8.790 8.960 -0.170 25927 2560 1 5 . 1 1 23 23 TYR N N 23 119.855 119.855 120.316 -0.461 25927 2561 1 5 . 1 1 23 23 TYR HA H 23 3.781 3.781 4.029 -0.248 25927 2562 1 5 . 1 1 23 23 TYR C C 23 177.585 177.585 177.406 0.179 25927 2563 1 5 . 1 1 23 23 TYR CA C 23 62.973 62.973 63.037 -0.064 25927 2564 1 5 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.627 -0.248 25927 2565 1 5 . 1 1 23 23 TYR H H 23 9.008 9.008 7.986 1.022 25927 2566 1 5 . 1 1 24 24 ARG N N 24 120.673 120.673 118.560 2.113 25927 2567 1 5 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.895 -0.177 25927 2568 1 5 . 1 1 24 24 ARG C C 24 177.149 177.149 178.788 -1.639 25927 2569 1 5 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.273 0.087 25927 2570 1 5 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.289 0.145 25927 2571 1 5 . 1 1 24 24 ARG H H 24 8.576 8.576 7.767 0.809 25927 2572 1 5 . 1 1 25 25 ALA N N 25 120.718 120.718 122.689 -1.971 25927 2573 1 5 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.113 -0.002 25927 2574 1 5 . 1 1 25 25 ALA C C 25 179.502 179.502 179.110 0.392 25927 2575 1 5 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.797 0.013 25927 2576 1 5 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.607 0.783 25927 2577 1 5 . 1 1 25 25 ALA H H 25 8.080 8.080 8.469 -0.389 25927 2578 1 5 . 1 1 26 26 PHE N N 26 118.193 118.193 119.362 -1.169 25927 2579 1 5 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.873 -0.375 25927 2580 1 5 . 1 1 26 26 PHE C C 26 177.120 177.120 176.835 0.285 25927 2581 1 5 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.594 0.703 25927 2582 1 5 . 1 1 26 26 PHE CB C 26 39.907 39.907 38.981 0.926 25927 2583 1 5 . 1 1 26 26 PHE H H 26 8.467 8.467 8.234 0.233 25927 2584 1 5 . 1 1 27 27 SER N N 27 112.572 112.572 113.945 -1.373 25927 2585 1 5 . 1 1 27 27 SER HA H 27 3.845 3.845 4.244 -0.399 25927 2586 1 5 . 1 1 27 27 SER C C 27 176.828 176.828 176.480 0.348 25927 2587 1 5 . 1 1 27 27 SER CA C 27 61.656 61.656 61.050 0.606 25927 2588 1 5 . 1 1 27 27 SER CB C 27 62.952 62.952 62.856 0.096 25927 2589 1 5 . 1 1 27 27 SER H H 27 8.477 8.477 8.046 0.431 25927 2590 1 5 . 1 1 28 28 ASP N N 28 119.022 119.022 121.485 -2.463 25927 2591 1 5 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.506 -0.082 25927 2592 1 5 . 1 1 28 28 ASP C C 28 177.325 177.325 177.322 0.003 25927 2593 1 5 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.381 0.276 25927 2594 1 5 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.958 0.316 25927 2595 1 5 . 1 1 28 28 ASP H H 28 8.019 8.019 7.975 0.044 25927 2596 1 5 . 1 1 29 29 LYS N N 29 115.330 115.330 115.349 -0.019 25927 2597 1 5 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.326 0.033 25927 2598 1 5 . 1 1 29 29 LYS C C 29 175.910 175.910 176.351 -0.441 25927 2599 1 5 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.260 -0.096 25927 2600 1 5 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.735 2.575 25927 2601 1 5 . 1 1 29 29 LYS H H 29 6.910 6.910 7.412 -0.502 25927 2602 1 5 . 1 1 30 30 TRP N N 30 122.847 122.847 123.734 -0.887 25927 2603 1 5 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.064 0.113 25927 2604 1 5 . 1 1 30 30 TRP C C 30 175.188 175.188 175.158 0.030 25927 2605 1 5 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.695 -0.654 25927 2606 1 5 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.788 0.132 25927 2607 1 5 . 1 1 30 30 TRP H H 30 7.638 7.638 7.611 0.027 25927 2608 1 5 . 1 1 31 31 GLU N N 31 128.182 128.182 125.451 2.731 25927 2609 1 5 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.052 0.107 25927 2610 1 5 . 1 1 31 31 GLU C C 31 173.960 173.960 173.889 0.071 25927 2611 1 5 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.249 -0.135 25927 2612 1 5 . 1 1 31 31 GLU CB C 31 31.083 31.083 30.900 0.183 25927 2613 1 5 . 1 1 31 31 GLU H H 31 7.426 7.426 7.460 -0.034 25927 2614 1 5 . 1 1 32 32 SER N N 32 115.672 115.672 118.980 -3.308 25927 2615 1 5 . 1 1 32 32 SER HA H 32 4.100 4.100 4.542 -0.442 25927 2616 1 5 . 1 1 32 32 SER C C 32 173.864 173.864 173.711 0.153 25927 2617 1 5 . 1 1 32 32 SER CA C 32 57.344 57.344 57.347 -0.003 25927 2618 1 5 . 1 1 32 32 SER CB C 32 64.220 64.220 65.595 -1.375 25927 2619 1 5 . 1 1 32 32 SER H H 32 7.276 7.276 7.927 -0.651 25927 2620 1 5 . 1 1 33 33 ASP N N 33 123.759 123.759 121.031 2.728 25927 2621 1 5 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.594 0.029 25927 2622 1 5 . 1 1 33 33 ASP C C 33 176.175 176.175 176.502 -0.327 25927 2623 1 5 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.718 -0.589 25927 2624 1 5 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.454 -0.844 25927 2625 1 5 . 1 1 33 33 ASP H H 33 8.429 8.429 8.631 -0.202 25927 2626 1 5 . 1 1 34 34 TYR N N 34 122.283 122.283 118.545 3.738 25927 2627 1 5 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.623 -0.049 25927 2628 1 5 . 1 1 34 34 TYR C C 34 177.025 177.025 176.392 0.633 25927 2629 1 5 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.650 1.167 25927 2630 1 5 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.172 -0.038 25927 2631 1 5 . 1 1 34 34 TYR H H 34 8.649 8.649 7.793 0.856 25927 2632 1 5 . 1 1 35 35 THR N N 35 116.852 116.852 112.972 3.880 25927 2633 1 5 . 1 1 35 35 THR HA H 35 4.311 4.311 4.066 0.245 25927 2634 1 5 . 1 1 35 35 THR C C 35 174.704 174.704 174.268 0.436 25927 2635 1 5 . 1 1 35 35 THR CA C 35 61.364 61.364 62.811 -1.447 25927 2636 1 5 . 1 1 35 35 THR CB C 35 69.454 69.454 68.724 0.730 25927 2637 1 5 . 1 1 35 35 THR H H 35 8.067 8.067 8.448 -0.381 25927 2638 1 5 . 1 1 36 36 GLY N N 36 107.698 107.698 107.302 0.396 25927 2639 1 5 . 1 1 36 36 GLY C C 36 171.455 171.455 174.224 -2.769 25927 2640 1 5 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.045 -0.527 25927 2641 1 5 . 1 1 36 36 GLY H H 36 5.732 5.732 6.525 -0.793 25927 2642 1 5 . 1 1 37 37 ASN N N 37 117.424 117.424 118.912 -1.488 25927 2643 1 5 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.704 0.281 25927 2644 1 5 . 1 1 37 37 ASN C C 37 175.393 175.393 173.675 1.718 25927 2645 1 5 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.270 0.563 25927 2646 1 5 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.219 3.294 25927 2647 1 5 . 1 1 37 37 ASN H H 37 8.346 8.346 8.484 -0.138 25927 2648 1 5 . 1 1 38 38 LEU N N 38 126.809 126.809 118.502 8.307 25927 2649 1 5 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.641 -0.643 25927 2650 1 5 . 1 1 38 38 LEU C C 38 175.770 175.770 175.366 0.404 25927 2651 1 5 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.847 2.167 25927 2652 1 5 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.530 -0.464 25927 2653 1 5 . 1 1 38 38 LEU H H 38 8.469 8.469 7.790 0.679 25927 2654 1 5 . 1 1 39 39 THR N N 39 119.369 119.369 114.250 5.119 25927 2655 1 5 . 1 1 39 39 THR HA H 39 4.799 4.799 4.929 -0.130 25927 2656 1 5 . 1 1 39 39 THR C C 39 172.224 172.224 172.689 -0.465 25927 2657 1 5 . 1 1 39 39 THR CA C 39 61.958 61.958 60.547 1.411 25927 2658 1 5 . 1 1 39 39 THR CB C 39 70.327 70.327 72.115 -1.788 25927 2659 1 5 . 1 1 39 39 THR H H 39 8.849 8.849 8.907 -0.058 25927 2660 1 5 . 1 1 40 40 ILE N N 40 125.490 125.490 123.681 1.809 25927 2661 1 5 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.398 0.122 25927 2662 1 5 . 1 1 40 40 ILE C C 40 173.125 173.125 173.735 -0.610 25927 2663 1 5 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.330 0.851 25927 2664 1 5 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.388 -2.938 25927 2665 1 5 . 1 1 40 40 ILE H H 40 8.562 8.562 7.939 0.623 25927 2666 1 5 . 1 1 41 41 ASN N N 41 124.656 124.656 123.894 0.762 25927 2667 1 5 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.689 -0.789 25927 2668 1 5 . 1 1 41 41 ASN C C 41 173.445 173.445 173.973 -0.528 25927 2669 1 5 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.615 0.464 25927 2670 1 5 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.454 -0.338 25927 2671 1 5 . 1 1 41 41 ASN H H 41 9.173 9.173 8.821 0.352 25927 2672 1 5 . 1 1 42 42 GLU N N 42 120.095 120.095 121.935 -1.840 25927 2673 1 5 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.314 0.071 25927 2674 1 5 . 1 1 42 42 GLU C C 42 173.971 173.971 175.205 -1.234 25927 2675 1 5 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.536 -0.406 25927 2676 1 5 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.625 1.832 25927 2677 1 5 . 1 1 42 42 GLU H H 42 7.741 7.741 8.213 -0.472 25927 2678 1 5 . 1 1 43 43 ARG N N 43 127.178 127.178 121.536 5.642 25927 2679 1 5 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.826 0.207 25927 2680 1 5 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.427 0.268 25927 2681 1 5 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.655 -0.167 25927 2682 1 5 . 1 1 43 43 ARG H H 43 9.039 9.039 8.685 0.354 25927 2683 1 5 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.833 -0.106 25927 2684 1 5 . 1 1 44 44 PRO C C 44 176.335 176.335 176.148 0.187 25927 2685 1 5 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.502 0.840 25927 2686 1 5 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.071 0.603 25927 2687 1 5 . 1 1 45 45 SER N N 45 117.089 117.089 122.561 -5.472 25927 2688 1 5 . 1 1 45 45 SER HA H 45 4.837 4.837 4.717 0.120 25927 2689 1 5 . 1 1 45 45 SER C C 45 174.334 174.334 174.526 -0.192 25927 2690 1 5 . 1 1 45 45 SER CA C 45 56.688 56.688 57.539 -0.851 25927 2691 1 5 . 1 1 45 45 SER CB C 45 64.628 64.628 64.787 -0.159 25927 2692 1 5 . 1 1 45 45 SER H H 45 8.497 8.497 8.939 -0.442 25927 2693 1 5 . 1 1 46 46 ALA N N 46 126.901 126.901 128.076 -1.175 25927 2694 1 5 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.060 0.162 25927 2695 1 5 . 1 1 46 46 ALA C C 46 178.171 178.171 178.459 -0.288 25927 2696 1 5 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.196 -0.108 25927 2697 1 5 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.949 -0.357 25927 2698 1 5 . 1 1 46 46 ALA H H 46 8.780 8.780 8.712 0.068 25927 2699 1 5 . 1 1 47 47 ARG N N 47 117.860 117.860 117.097 0.763 25927 2700 1 5 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.152 0.258 25927 2701 1 5 . 1 1 47 47 ARG C C 47 175.674 175.674 176.477 -0.803 25927 2702 1 5 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.024 -1.772 25927 2703 1 5 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.603 0.983 25927 2704 1 5 . 1 1 47 47 ARG H H 47 8.381 8.381 8.011 0.370 25927 2705 1 5 . 1 1 48 48 ALA N N 48 121.099 121.099 117.546 3.553 25927 2706 1 5 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.613 -0.194 25927 2707 1 5 . 1 1 48 48 ALA C C 48 176.874 176.874 175.930 0.944 25927 2708 1 5 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.207 1.061 25927 2709 1 5 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.512 -1.731 25927 2710 1 5 . 1 1 48 48 ALA H H 48 8.012 8.012 8.124 -0.112 25927 2711 1 5 . 1 1 49 49 GLY N N 49 106.126 106.126 107.301 -1.175 25927 2712 1 5 . 1 1 49 49 GLY C C 49 172.803 172.803 172.097 0.706 25927 2713 1 5 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.996 -1.506 25927 2714 1 5 . 1 1 49 49 GLY H H 49 7.946 7.946 8.532 -0.586 25927 2715 1 5 . 1 1 50 50 SER N N 50 113.972 113.972 116.219 -2.247 25927 2716 1 5 . 1 1 50 50 SER HA H 50 4.736 4.736 5.163 -0.427 25927 2717 1 5 . 1 1 50 50 SER C C 50 171.367 171.367 172.633 -1.266 25927 2718 1 5 . 1 1 50 50 SER CA C 50 57.165 57.165 56.174 0.991 25927 2719 1 5 . 1 1 50 50 SER CB C 50 66.797 66.797 66.268 0.529 25927 2720 1 5 . 1 1 50 50 SER H H 50 7.631 7.631 8.224 -0.593 25927 2721 1 5 . 1 1 51 51 TRP N N 51 121.787 121.787 123.525 -1.738 25927 2722 1 5 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.142 0.714 25927 2723 1 5 . 1 1 51 51 TRP C C 51 176.055 176.055 175.800 0.255 25927 2724 1 5 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.305 -0.512 25927 2725 1 5 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.478 0.056 25927 2726 1 5 . 1 1 51 51 TRP H H 51 8.588 8.588 8.561 0.027 25927 2727 1 5 . 1 1 52 52 ILE N N 52 126.898 126.898 124.706 2.192 25927 2728 1 5 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.815 0.256 25927 2729 1 5 . 1 1 52 52 ILE C C 52 175.754 175.754 175.099 0.655 25927 2730 1 5 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.549 -1.816 25927 2731 1 5 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.310 0.045 25927 2732 1 5 . 1 1 52 52 ILE H H 52 8.963 8.963 9.078 -0.115 25927 2733 1 5 . 1 1 53 53 THR N N 53 116.271 116.271 123.642 -7.371 25927 2734 1 5 . 1 1 53 53 THR HA H 53 5.095 5.095 4.786 0.309 25927 2735 1 5 . 1 1 53 53 THR C C 53 173.382 173.382 172.829 0.553 25927 2736 1 5 . 1 1 53 53 THR CA C 53 59.290 59.290 61.771 -2.481 25927 2737 1 5 . 1 1 53 53 THR CB C 53 71.819 71.819 70.911 0.908 25927 2738 1 5 . 1 1 53 53 THR H H 53 8.371 8.371 9.144 -0.773 25927 2739 1 5 . 1 1 54 54 ILE N N 54 124.947 124.947 129.683 -4.736 25927 2740 1 5 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.086 0.097 25927 2741 1 5 . 1 1 54 54 ILE C C 54 175.952 175.952 173.888 2.064 25927 2742 1 5 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.341 2.253 25927 2743 1 5 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.840 -2.223 25927 2744 1 5 . 1 1 54 54 ILE H H 54 9.056 9.056 9.040 0.016 25927 2745 1 5 . 1 1 55 55 THR N N 55 118.298 118.298 123.136 -4.838 25927 2746 1 5 . 1 1 55 55 THR HA H 55 5.458 5.458 5.115 0.343 25927 2747 1 5 . 1 1 55 55 THR C C 55 173.980 173.980 173.569 0.411 25927 2748 1 5 . 1 1 55 55 THR CA C 55 58.717 58.717 59.780 -1.063 25927 2749 1 5 . 1 1 55 55 THR CB C 55 71.839 71.839 71.019 0.820 25927 2750 1 5 . 1 1 55 55 THR H H 55 9.250 9.250 8.912 0.338 25927 2751 1 5 . 1 1 56 56 VAL N N 56 120.047 120.047 126.045 -5.998 25927 2752 1 5 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.695 -0.275 25927 2753 1 5 . 1 1 56 56 VAL C C 56 176.226 176.226 176.500 -0.274 25927 2754 1 5 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.730 -0.689 25927 2755 1 5 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.994 1.767 25927 2756 1 5 . 1 1 56 56 VAL H H 56 8.435 8.435 8.890 -0.455 25927 2757 1 5 . 1 1 57 57 ASN N N 57 125.479 125.479 126.862 -1.383 25927 2758 1 5 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.255 -0.060 25927 2759 1 5 . 1 1 57 57 ASN C C 57 175.026 175.026 175.569 -0.543 25927 2760 1 5 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.568 -0.872 25927 2761 1 5 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.339 -0.340 25927 2762 1 5 . 1 1 57 57 ASN H H 57 9.199 9.199 9.388 -0.189 25927 2763 1 5 . 1 1 58 58 GLN N N 58 116.897 116.897 116.353 0.544 25927 2764 1 5 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.481 -0.295 25927 2765 1 5 . 1 1 58 58 GLN C C 58 175.237 175.237 174.795 0.442 25927 2766 1 5 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.490 1.349 25927 2767 1 5 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.027 -2.444 25927 2768 1 5 . 1 1 58 58 GLN H H 58 8.576 8.576 8.236 0.340 25927 2769 1 5 . 1 1 59 59 ASP N N 59 122.465 122.465 122.865 -0.400 25927 2770 1 5 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.890 -0.174 25927 2771 1 5 . 1 1 59 59 ASP C C 59 175.302 175.302 174.484 0.818 25927 2772 1 5 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.729 0.404 25927 2773 1 5 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.082 -2.629 25927 2774 1 5 . 1 1 59 59 ASP H H 59 8.343 8.343 8.249 0.094 25927 2775 1 5 . 1 1 60 60 VAL N N 60 124.577 124.577 123.671 0.906 25927 2776 1 5 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.136 -0.259 25927 2777 1 5 . 1 1 60 60 VAL C C 60 176.802 176.802 175.550 1.252 25927 2778 1 5 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.956 0.825 25927 2779 1 5 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.727 -0.993 25927 2780 1 5 . 1 1 60 60 VAL H H 60 8.754 8.754 8.742 0.012 25927 2781 1 5 . 1 1 61 61 ILE N N 61 123.852 123.852 124.423 -0.571 25927 2782 1 5 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.562 -0.043 25927 2783 1 5 . 1 1 61 61 ILE C C 61 175.073 175.073 175.124 -0.051 25927 2784 1 5 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.186 -0.587 25927 2785 1 5 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.166 -1.196 25927 2786 1 5 . 1 1 61 61 ILE H H 61 8.984 8.984 8.055 0.929 25927 2787 1 5 . 1 1 62 62 PHE N N 62 119.927 119.927 120.858 -0.931 25927 2788 1 5 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.856 -0.210 25927 2789 1 5 . 1 1 62 62 PHE C C 62 171.958 171.958 172.802 -0.844 25927 2790 1 5 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.427 0.944 25927 2791 1 5 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.717 0.093 25927 2792 1 5 . 1 1 62 62 PHE H H 62 7.557 7.557 7.599 -0.042 25927 2793 1 5 . 1 1 63 63 GLN N N 63 125.524 125.524 122.746 2.778 25927 2794 1 5 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.812 0.297 25927 2795 1 5 . 1 1 63 63 GLN C C 63 172.837 172.837 173.539 -0.702 25927 2796 1 5 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.874 -0.112 25927 2797 1 5 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.766 -0.086 25927 2798 1 5 . 1 1 63 63 GLN H H 63 7.389 7.389 7.681 -0.292 25927 2799 1 5 . 1 1 64 64 THR N N 64 115.981 115.981 114.887 1.094 25927 2800 1 5 . 1 1 64 64 THR HA H 64 4.428 4.428 4.515 -0.087 25927 2801 1 5 . 1 1 64 64 THR C C 64 169.980 169.980 172.160 -2.180 25927 2802 1 5 . 1 1 64 64 THR CA C 64 60.555 60.555 61.018 -0.463 25927 2803 1 5 . 1 1 64 64 THR CB C 64 69.083 69.083 71.745 -2.662 25927 2804 1 5 . 1 1 64 64 THR H H 64 8.588 8.588 8.738 -0.150 25927 2805 1 5 . 1 1 65 65 PHE N N 65 125.997 125.997 123.801 2.196 25927 2806 1 5 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.549 -0.135 25927 2807 1 5 . 1 1 65 65 PHE C C 65 173.940 173.940 174.521 -0.581 25927 2808 1 5 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.218 0.032 25927 2809 1 5 . 1 1 65 65 PHE CB C 65 40.713 40.713 39.709 1.004 25927 2810 1 5 . 1 1 65 65 PHE H H 65 8.054 8.054 8.277 -0.223 25927 2811 1 5 . 1 1 66 66 LEU N N 66 127.935 127.935 125.987 1.948 25927 2812 1 5 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.579 -0.127 25927 2813 1 5 . 1 1 66 66 LEU C C 66 174.502 174.502 175.161 -0.659 25927 2814 1 5 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.535 -0.926 25927 2815 1 5 . 1 1 66 66 LEU H H 66 8.383 8.383 8.576 -0.193 25927 2816 1 5 . 1 1 67 67 PHE N N 67 123.162 123.162 119.205 3.957 25927 2817 1 5 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.461 -0.837 25927 2818 1 5 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.751 -1.624 25927 2819 1 5 . 1 1 67 67 PHE H H 67 8.285 8.285 8.860 -0.575 25927 2820 1 5 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.509 -0.062 25927 2821 1 5 . 1 1 68 68 PRO C C 68 175.918 175.918 177.085 -1.167 25927 2822 1 5 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.071 -2.448 25927 2823 1 5 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.331 -0.110 25927 2824 1 5 . 1 1 69 69 LEU N N 69 121.360 121.360 118.599 2.761 25927 2825 1 5 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.373 -0.179 25927 2826 1 5 . 1 1 69 69 LEU CA C 69 55.251 55.251 56.022 -0.771 25927 2827 1 5 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.350 -1.673 25927 2828 1 5 . 1 1 69 69 LEU H H 69 8.300 8.300 8.337 -0.037 25927 2829 1 5 . 1 1 70 70 LYS N N 70 123.012 123.012 118.802 4.210 25927 2830 1 5 . 1 1 70 70 LYS CA C 70 55.700 55.700 56.184 -0.484 25927 2831 1 5 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.203 -3.483 25927 2832 1 5 . 1 1 70 70 LYS H H 70 8.156 8.156 7.989 0.167 25927 2833 1 5 . 1 1 71 71 ARG N N 71 125.250 125.250 121.190 4.060 25927 2834 1 5 . 1 1 71 71 ARG C C 71 179.581 179.581 176.625 2.956 25927 2835 1 5 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.431 0.787 25927 2836 1 5 . 1 1 71 71 ARG H H 71 8.279 8.279 8.799 -0.520 25927 2837 1 5 . 1 1 72 72 ASP N N 72 119.355 119.355 120.370 -1.015 25927 2838 1 5 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.528 0.218 25927 2839 1 5 . 1 1 72 72 ASP C C 72 177.124 177.124 177.145 -0.021 25927 2840 1 5 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.840 -0.167 25927 2841 1 5 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.417 -0.370 25927 2842 1 5 . 1 1 72 72 ASP H H 72 8.182 8.182 8.315 -0.133 25927 2843 1 5 . 1 1 73 73 PHE N N 73 122.846 122.846 121.826 1.020 25927 2844 1 5 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.103 0.027 25927 2845 1 5 . 1 1 73 73 PHE C C 73 176.729 176.729 176.791 -0.062 25927 2846 1 5 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.199 0.823 25927 2847 1 5 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.207 0.997 25927 2848 1 5 . 1 1 73 73 PHE H H 73 8.197 8.197 8.368 -0.171 25927 2849 1 5 . 1 1 74 74 GLU N N 74 118.652 118.652 118.616 0.036 25927 2850 1 5 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.884 -0.040 25927 2851 1 5 . 1 1 74 74 GLU C C 74 179.310 179.310 178.702 0.608 25927 2852 1 5 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.718 0.933 25927 2853 1 5 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.362 -0.713 25927 2854 1 5 . 1 1 74 74 GLU H H 74 9.098 9.098 9.090 0.008 25927 2855 1 5 . 1 1 75 75 LYS N N 75 117.836 117.836 119.392 -1.556 25927 2856 1 5 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.087 -0.008 25927 2857 1 5 . 1 1 75 75 LYS C C 75 179.312 179.312 179.332 -0.020 25927 2858 1 5 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.412 -0.132 25927 2859 1 5 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.228 0.115 25927 2860 1 5 . 1 1 75 75 LYS H H 75 8.078 8.078 7.746 0.332 25927 2861 1 5 . 1 1 76 76 THR N N 76 118.581 118.581 117.549 1.032 25927 2862 1 5 . 1 1 76 76 THR HA H 76 4.168 4.168 4.144 0.024 25927 2863 1 5 . 1 1 76 76 THR C C 76 175.873 175.873 176.782 -0.909 25927 2864 1 5 . 1 1 76 76 THR CA C 76 67.009 67.009 66.927 0.082 25927 2865 1 5 . 1 1 76 76 THR CB C 76 68.404 68.404 68.573 -0.169 25927 2866 1 5 . 1 1 76 76 THR H H 76 8.031 8.031 8.415 -0.384 25927 2867 1 5 . 1 1 77 77 VAL N N 77 122.994 122.994 121.676 1.318 25927 2868 1 5 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.541 -0.149 25927 2869 1 5 . 1 1 77 77 VAL C C 77 177.137 177.137 177.581 -0.444 25927 2870 1 5 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.875 0.580 25927 2871 1 5 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.249 0.324 25927 2872 1 5 . 1 1 77 77 VAL H H 77 7.999 7.999 8.114 -0.115 25927 2873 1 5 . 1 1 78 78 VAL N N 78 117.994 117.994 118.912 -0.918 25927 2874 1 5 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.495 0.053 25927 2875 1 5 . 1 1 78 78 VAL C C 78 177.830 177.830 177.519 0.311 25927 2876 1 5 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.408 0.866 25927 2877 1 5 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.291 0.452 25927 2878 1 5 . 1 1 78 78 VAL H H 78 7.745 7.745 7.979 -0.234 25927 2879 1 5 . 1 1 79 79 ALA N N 79 120.460 120.460 121.197 -0.737 25927 2880 1 5 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.071 0.109 25927 2881 1 5 . 1 1 79 79 ALA C C 79 176.512 176.512 179.141 -2.629 25927 2882 1 5 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.923 0.178 25927 2883 1 5 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.110 0.060 25927 2884 1 5 . 1 1 79 79 ALA H H 79 7.844 7.844 8.412 -0.568 25927 2885 1 5 . 1 1 80 80 ALA N N 80 119.351 119.351 120.584 -1.233 25927 2886 1 5 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.695 -0.699 25927 2887 1 5 . 1 1 80 80 ALA C C 80 180.805 180.805 179.442 1.363 25927 2888 1 5 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.880 -0.223 25927 2889 1 5 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.474 0.884 25927 2890 1 5 . 1 1 80 80 ALA H H 80 8.178 8.178 7.986 0.192 25927 2891 1 5 . 1 1 81 81 LEU N N 81 123.041 123.041 119.477 3.564 25927 2892 1 5 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.010 -0.146 25927 2893 1 5 . 1 1 81 81 LEU C C 81 179.526 179.526 179.074 0.452 25927 2894 1 5 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.743 1.142 25927 2895 1 5 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.607 0.944 25927 2896 1 5 . 1 1 81 81 LEU H H 81 8.469 8.469 7.258 1.211 25927 2897 1 5 . 1 1 82 82 ILE N N 82 119.350 119.350 118.387 0.963 25927 2898 1 5 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.576 0.251 25927 2899 1 5 . 1 1 82 82 ILE C C 82 179.375 179.375 178.179 1.196 25927 2900 1 5 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.357 -0.778 25927 2901 1 5 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.695 0.919 25927 2902 1 5 . 1 1 82 82 ILE H H 82 7.988 7.988 7.264 0.724 25927 2903 1 5 . 1 1 83 83 GLN N N 83 118.033 118.033 118.395 -0.362 25927 2904 1 5 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.932 0.261 25927 2905 1 5 . 1 1 83 83 GLN C C 83 179.932 179.932 178.621 1.311 25927 2906 1 5 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.782 0.381 25927 2907 1 5 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.036 0.658 25927 2908 1 5 . 1 1 83 83 GLN H H 83 8.665 8.665 8.152 0.513 25927 2909 1 5 . 1 1 84 84 THR N N 84 118.583 118.583 115.333 3.250 25927 2910 1 5 . 1 1 84 84 THR HA H 84 3.813 3.813 4.062 -0.249 25927 2911 1 5 . 1 1 84 84 THR C C 84 175.824 175.824 176.234 -0.410 25927 2912 1 5 . 1 1 84 84 THR CA C 84 68.515 68.515 67.516 0.999 25927 2913 1 5 . 1 1 84 84 THR CB C 84 67.514 67.514 68.811 -1.297 25927 2914 1 5 . 1 1 84 84 THR H H 84 8.355 8.355 8.194 0.161 25927 2915 1 5 . 1 1 85 85 GLU N N 85 121.547 121.547 120.816 0.731 25927 2916 1 5 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.151 0.022 25927 2917 1 5 . 1 1 85 85 GLU C C 85 178.637 178.637 178.602 0.035 25927 2918 1 5 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.148 1.228 25927 2919 1 5 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.999 0.213 25927 2920 1 5 . 1 1 85 85 GLU H H 85 7.846 7.846 7.795 0.051 25927 2921 1 5 . 1 1 86 86 GLU N N 86 118.203 118.203 119.350 -1.147 25927 2922 1 5 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.045 0.059 25927 2923 1 5 . 1 1 86 86 GLU C C 86 179.080 179.080 178.849 0.231 25927 2924 1 5 . 1 1 86 86 GLU CA C 86 59.684 59.684 58.930 0.754 25927 2925 1 5 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.069 0.489 25927 2926 1 5 . 1 1 86 86 GLU H H 86 8.154 8.154 8.503 -0.349 25927 2927 1 5 . 1 1 87 87 ALA N N 87 121.242 121.242 121.635 -0.393 25927 2928 1 5 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.125 0.051 25927 2929 1 5 . 1 1 87 87 ALA C C 87 181.299 181.299 179.083 2.216 25927 2930 1 5 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.860 0.356 25927 2931 1 5 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.654 0.579 25927 2932 1 5 . 1 1 87 87 ALA H H 87 8.181 8.181 7.474 0.707 25927 2933 1 5 . 1 1 88 88 LEU N N 88 119.086 119.086 117.210 1.876 25927 2934 1 5 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.064 -0.067 25927 2935 1 5 . 1 1 88 88 LEU C C 88 179.526 179.526 178.774 0.752 25927 2936 1 5 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.298 1.250 25927 2937 1 5 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.330 -0.086 25927 2938 1 5 . 1 1 88 88 LEU H H 88 8.379 8.379 7.531 0.848 25927 2939 1 5 . 1 1 89 89 ASN N N 89 119.429 119.429 118.636 0.793 25927 2940 1 5 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.434 0.133 25927 2941 1 5 . 1 1 89 89 ASN C C 89 177.117 177.117 176.276 0.841 25927 2942 1 5 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.441 -0.437 25927 2943 1 5 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.207 0.142 25927 2944 1 5 . 1 1 89 89 ASN H H 89 8.271 8.271 8.773 -0.502 25927 2945 1 5 . 1 1 90 90 ARG N N 90 118.735 118.735 117.172 1.563 25927 2946 1 5 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.349 -0.196 25927 2947 1 5 . 1 1 90 90 ARG C C 90 177.836 177.836 177.555 0.281 25927 2948 1 5 . 1 1 90 90 ARG CA C 90 58.574 58.574 57.502 1.072 25927 2949 1 5 . 1 1 90 90 ARG CB C 90 30.230 30.230 29.866 0.364 25927 2950 1 5 . 1 1 90 90 ARG H H 90 8.010 8.010 7.588 0.422 25927 2951 1 5 . 1 1 91 91 ARG N N 91 118.976 118.976 119.007 -0.031 25927 2952 1 5 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.232 -0.023 25927 2953 1 5 . 1 1 91 91 ARG C C 91 177.455 177.455 177.814 -0.359 25927 2954 1 5 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.426 -0.400 25927 2955 1 5 . 1 1 91 91 ARG CB C 91 30.787 30.787 30.905 -0.118 25927 2956 1 5 . 1 1 91 91 ARG H H 91 7.833 7.833 7.629 0.204 25927 2957 1 5 . 1 1 92 92 GLN N N 92 118.834 118.834 115.173 3.661 25927 2958 1 5 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.489 -0.232 25927 2959 1 5 . 1 1 92 92 GLN C C 92 177.362 177.362 177.974 -0.612 25927 2960 1 5 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.764 0.724 25927 2961 1 5 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.456 -1.324 25927 2962 1 5 . 1 1 92 92 GLN H H 92 7.988 7.988 8.116 -0.128 25927 2963 1 5 . 1 1 93 93 ILE N N 93 120.499 120.499 122.684 -2.185 25927 2964 1 5 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.712 0.304 25927 2965 1 5 . 1 1 93 93 ILE C C 93 177.002 177.002 176.849 0.153 25927 2966 1 5 . 1 1 93 93 ILE CA C 93 62.861 62.861 65.368 -2.507 25927 2967 1 5 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.330 1.238 25927 2968 1 5 . 1 1 93 93 ILE H H 93 7.976 7.976 7.939 0.036 25927 2969 1 5 . 1 1 94 94 ASN N N 94 120.172 120.172 118.919 1.253 25927 2970 1 5 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.274 0.365 25927 2971 1 5 . 1 1 94 94 ASN C C 94 176.336 176.336 177.633 -1.297 25927 2972 1 5 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.804 -2.487 25927 2973 1 5 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.554 0.046 25927 2974 1 5 . 1 1 94 94 ASN H H 94 8.272 8.272 8.232 0.040 25927 2975 1 5 . 1 1 95 95 GLN N N 95 120.288 120.288 117.340 2.948 25927 2976 1 5 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.182 -0.002 25927 2977 1 5 . 1 1 95 95 GLN C C 95 176.701 176.701 177.081 -0.380 25927 2978 1 5 . 1 1 95 95 GLN CA C 95 57.179 57.179 57.965 -0.786 25927 2979 1 5 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.788 0.208 25927 2980 1 5 . 1 1 95 95 GLN H H 95 8.303 8.303 7.732 0.571 25927 2981 1 5 . 1 1 96 96 ALA N N 96 123.219 123.219 121.608 1.611 25927 2982 1 5 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.185 0.076 25927 2983 1 5 . 1 1 96 96 ALA C C 96 178.429 178.429 179.969 -1.540 25927 2984 1 5 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.562 -1.130 25927 2985 1 5 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.757 0.016 25927 2986 1 5 . 1 1 96 96 ALA H H 96 8.112 8.112 7.407 0.705 25927 2987 1 5 . 1 1 97 97 LEU N N 97 119.452 119.452 115.975 3.477 25927 2988 1 5 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.206 0.095 25927 2989 1 5 . 1 1 97 97 LEU C C 97 177.834 177.834 177.968 -0.134 25927 2990 1 5 . 1 1 97 97 LEU CA C 97 55.746 55.746 56.914 -1.168 25927 2991 1 5 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.476 0.814 25927 2992 1 5 . 1 1 97 97 LEU H H 97 7.932 7.932 8.176 -0.244 25927 2993 1 5 . 1 1 98 98 LEU N N 98 121.124 121.124 117.991 3.133 25927 2994 1 5 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.199 0.178 25927 2995 1 5 . 1 1 98 98 LEU C C 98 177.729 177.729 177.223 0.506 25927 2996 1 5 . 1 1 98 98 LEU CA C 98 55.426 55.426 55.779 -0.353 25927 2997 1 5 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.167 0.239 25927 2998 1 5 . 1 1 98 98 LEU H H 98 7.947 7.947 7.530 0.417 25927 2999 1 5 . 1 1 99 99 SER N N 99 115.913 115.913 112.952 2.961 25927 3000 1 5 . 1 1 99 99 SER HA H 99 4.525 4.525 4.152 0.373 25927 3001 1 5 . 1 1 99 99 SER C C 99 174.980 174.980 174.779 0.201 25927 3002 1 5 . 1 1 99 99 SER CA C 99 58.478 58.478 58.716 -0.238 25927 3003 1 5 . 1 1 99 99 SER CB C 99 63.839 63.839 62.327 1.512 25927 3004 1 5 . 1 1 99 99 SER H H 99 8.238 8.238 7.742 0.496 25927 3005 1 5 . 1 1 100 100 THR N N 100 114.610 114.610 113.547 1.063 25927 3006 1 5 . 1 1 100 100 THR HA H 100 4.361 4.361 4.252 0.109 25927 3007 1 5 . 1 1 100 100 THR C C 100 175.368 175.368 176.147 -0.779 25927 3008 1 5 . 1 1 100 100 THR CA C 100 62.195 62.195 63.446 -1.251 25927 3009 1 5 . 1 1 100 100 THR CB C 100 69.794 69.794 69.186 0.608 25927 3010 1 5 . 1 1 100 100 THR H H 100 8.140 8.140 8.398 -0.258 25927 3011 1 5 . 1 1 101 101 GLY N N 101 110.650 110.650 108.753 1.897 25927 3012 1 5 . 1 1 101 101 GLY C C 101 173.935 173.935 174.668 -0.733 25927 3013 1 5 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.962 0.531 25927 3014 1 5 . 1 1 101 101 GLY H H 101 8.353 8.353 8.451 -0.098 25927 3015 1 5 . 1 1 102 102 ASP N N 102 120.512 120.512 120.724 -0.212 25927 3016 1 5 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.797 -0.194 25927 3017 1 5 . 1 1 102 102 ASP C C 102 176.419 176.419 176.675 -0.256 25927 3018 1 5 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.203 0.088 25927 3019 1 5 . 1 1 102 102 ASP CB C 102 41.277 41.277 42.022 -0.745 25927 3020 1 5 . 1 1 102 102 ASP H H 102 8.204 8.204 7.889 0.315 25927 3021 1 5 . 1 1 103 103 LEU N N 103 122.331 122.331 121.717 0.614 25927 3022 1 5 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.504 -0.246 25927 3023 1 5 . 1 1 103 103 LEU C C 103 177.394 177.394 176.025 1.369 25927 3024 1 5 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.956 -0.429 25927 3025 1 5 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.569 -0.341 25927 3026 1 5 . 1 1 103 103 LEU H H 103 8.170 8.170 8.325 -0.155 25927 3027 1 5 . 1 1 104 104 ALA N N 104 123.139 123.139 126.204 -3.065 25927 3028 1 5 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.596 -0.396 25927 3029 1 5 . 1 1 104 104 ALA C C 104 177.730 177.730 175.410 2.320 25927 3030 1 5 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.516 1.258 25927 3031 1 5 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.506 -0.501 25927 3032 1 5 . 1 1 104 104 ALA H H 104 8.150 8.150 8.308 -0.158 25927 3033 1 5 . 1 1 105 105 HIS N N 105 117.105 117.105 117.855 -0.750 25927 3034 1 5 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.649 -0.008 25927 3035 1 5 . 1 1 105 105 HIS C C 105 174.414 174.414 174.935 -0.521 25927 3036 1 5 . 1 1 105 105 HIS CA C 105 55.520 55.520 55.489 0.031 25927 3037 1 5 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.236 -0.958 25927 3038 1 5 . 1 1 105 105 HIS H H 105 8.239 8.239 7.998 0.241 25927 3039 1 5 . 1 1 106 106 ASP N N 106 121.315 121.315 123.264 -1.949 25927 3040 1 5 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.370 0.233 25927 3041 1 5 . 1 1 106 106 ASP C C 106 176.370 176.370 176.275 0.095 25927 3042 1 5 . 1 1 106 106 ASP CA C 106 54.319 54.319 55.004 -0.685 25927 3043 1 5 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.109 1.305 25927 3044 1 5 . 1 1 106 106 ASP H H 106 8.298 8.298 8.934 -0.636 25927 3045 1 5 . 1 1 107 107 GLU N N 107 121.228 121.228 116.955 4.273 25927 3046 1 5 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.036 0.072 25927 3047 1 5 . 1 1 107 107 GLU C C 107 176.248 176.248 175.776 0.472 25927 3048 1 5 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.953 -0.761 25927 3049 1 5 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.018 0.077 25927 3050 1 5 . 1 1 107 107 GLU H H 107 8.536 8.536 8.747 -0.211 25927 3051 1 6 . 1 1 2 2 VAL N N 2 119.413 119.413 120.752 -1.339 25927 3052 1 6 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.370 -0.238 25927 3053 1 6 . 1 1 2 2 VAL C C 2 175.957 175.957 175.105 0.852 25927 3054 1 6 . 1 1 2 2 VAL CA C 2 62.517 62.517 62.482 0.035 25927 3055 1 6 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.574 -0.898 25927 3056 1 6 . 1 1 2 2 VAL H H 2 8.453 8.453 8.368 0.085 25927 3057 1 6 . 1 1 3 3 GLU N N 3 125.255 125.255 126.257 -1.002 25927 3058 1 6 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.688 -0.340 25927 3059 1 6 . 1 1 3 3 GLU C C 3 176.154 176.154 174.997 1.157 25927 3060 1 6 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.791 0.678 25927 3061 1 6 . 1 1 3 3 GLU CB C 3 30.382 30.382 32.087 -1.705 25927 3062 1 6 . 1 1 3 3 GLU H H 3 8.587 8.587 8.414 0.173 25927 3063 1 6 . 1 1 4 4 VAL N N 4 121.132 121.132 122.519 -1.387 25927 3064 1 6 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.213 -0.092 25927 3065 1 6 . 1 1 4 4 VAL C C 4 175.762 175.762 175.794 -0.032 25927 3066 1 6 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.611 0.417 25927 3067 1 6 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.215 -1.159 25927 3068 1 6 . 1 1 4 4 VAL H H 4 8.172 8.172 8.093 0.079 25927 3069 1 6 . 1 1 5 5 GLU N N 5 125.223 125.223 124.773 0.450 25927 3070 1 6 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.372 -0.048 25927 3071 1 6 . 1 1 5 5 GLU C C 5 176.006 176.006 176.074 -0.068 25927 3072 1 6 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.297 0.092 25927 3073 1 6 . 1 1 5 5 GLU CB C 5 30.419 30.419 27.526 2.893 25927 3074 1 6 . 1 1 5 5 GLU H H 5 8.472 8.472 8.783 -0.311 25927 3075 1 6 . 1 1 6 6 VAL N N 6 123.435 123.435 120.974 2.461 25927 3076 1 6 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.977 0.459 25927 3077 1 6 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.712 -4.966 25927 3078 1 6 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.847 1.891 25927 3079 1 6 . 1 1 6 6 VAL H H 6 8.288 8.288 7.951 0.337 25927 3080 1 6 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.609 -0.173 25927 3081 1 6 . 1 1 7 7 PRO C C 7 177.461 177.461 176.463 0.998 25927 3082 1 6 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.302 1.043 25927 3083 1 6 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.774 -0.470 25927 3084 1 6 . 1 1 8 8 GLY N N 8 108.925 108.925 106.423 2.502 25927 3085 1 6 . 1 1 8 8 GLY C C 8 173.995 173.995 173.302 0.693 25927 3086 1 6 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.925 0.501 25927 3087 1 6 . 1 1 8 8 GLY H H 8 8.334 8.334 8.218 0.116 25927 3088 1 6 . 1 1 9 9 LEU N N 9 121.559 121.559 121.129 0.430 25927 3089 1 6 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.748 -0.289 25927 3090 1 6 . 1 1 9 9 LEU C C 9 176.870 176.870 175.751 1.119 25927 3091 1 6 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.412 1.209 25927 3092 1 6 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.221 0.827 25927 3093 1 6 . 1 1 9 9 LEU H H 9 8.150 8.150 8.495 -0.345 25927 3094 1 6 . 1 1 10 10 LEU N N 10 122.690 122.690 122.550 0.140 25927 3095 1 6 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.408 0.753 25927 3096 1 6 . 1 1 10 10 LEU C C 10 177.427 177.427 177.127 0.300 25927 3097 1 6 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.742 -1.880 25927 3098 1 6 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.881 1.767 25927 3099 1 6 . 1 1 10 10 LEU H H 10 8.348 8.348 7.737 0.611 25927 3100 1 6 . 1 1 11 11 THR N N 11 124.118 124.118 119.025 5.093 25927 3101 1 6 . 1 1 11 11 THR HA H 11 4.295 4.295 4.425 -0.130 25927 3102 1 6 . 1 1 11 11 THR C C 11 172.853 172.853 173.884 -1.031 25927 3103 1 6 . 1 1 11 11 THR CA C 11 63.577 63.577 60.899 2.678 25927 3104 1 6 . 1 1 11 11 THR CB C 11 69.325 69.325 71.448 -2.123 25927 3105 1 6 . 1 1 11 11 THR H H 11 9.186 9.186 8.011 1.175 25927 3106 1 6 . 1 1 12 12 ASP N N 12 127.226 127.226 125.395 1.831 25927 3107 1 6 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.781 0.516 25927 3108 1 6 . 1 1 12 12 ASP C C 12 176.060 176.060 175.846 0.214 25927 3109 1 6 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.545 0.234 25927 3110 1 6 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.979 1.065 25927 3111 1 6 . 1 1 12 12 ASP H H 12 8.880 8.880 8.395 0.485 25927 3112 1 6 . 1 1 13 13 HIS N N 13 127.146 127.146 121.990 5.156 25927 3113 1 6 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.490 0.818 25927 3114 1 6 . 1 1 13 13 HIS C C 13 175.365 175.365 173.869 1.496 25927 3115 1 6 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.514 -2.356 25927 3116 1 6 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.790 1.164 25927 3117 1 6 . 1 1 13 13 HIS H H 13 8.867 8.867 7.915 0.952 25927 3118 1 6 . 1 1 14 14 THR N N 14 112.885 112.885 110.174 2.711 25927 3119 1 6 . 1 1 14 14 THR HA H 14 4.522 4.522 4.645 -0.123 25927 3120 1 6 . 1 1 14 14 THR C C 14 174.626 174.626 174.342 0.284 25927 3121 1 6 . 1 1 14 14 THR CA C 14 63.245 63.245 60.655 2.590 25927 3122 1 6 . 1 1 14 14 THR CB C 14 70.178 70.178 70.952 -0.774 25927 3123 1 6 . 1 1 14 14 THR H H 14 8.583 8.583 7.717 0.866 25927 3124 1 6 . 1 1 15 15 VAL N N 15 113.207 113.207 119.955 -6.748 25927 3125 1 6 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.537 0.108 25927 3126 1 6 . 1 1 15 15 VAL C C 15 175.216 175.216 174.579 0.637 25927 3127 1 6 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.479 0.784 25927 3128 1 6 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.548 2.832 25927 3129 1 6 . 1 1 15 15 VAL H H 15 9.104 9.104 8.638 0.466 25927 3130 1 6 . 1 1 16 16 SER N N 16 122.970 122.970 115.886 7.084 25927 3131 1 6 . 1 1 16 16 SER HA H 16 4.196 4.196 4.763 -0.567 25927 3132 1 6 . 1 1 16 16 SER C C 16 174.515 174.515 175.831 -1.316 25927 3133 1 6 . 1 1 16 16 SER CA C 16 57.126 57.126 55.846 1.280 25927 3134 1 6 . 1 1 16 16 SER CB C 16 67.073 67.073 65.351 1.722 25927 3135 1 6 . 1 1 16 16 SER H H 16 9.340 9.340 7.526 1.814 25927 3136 1 6 . 1 1 17 17 SER N N 17 116.643 116.643 122.124 -5.481 25927 3137 1 6 . 1 1 17 17 SER HA H 17 4.157 4.157 4.336 -0.179 25927 3138 1 6 . 1 1 17 17 SER C C 17 176.576 176.576 175.832 0.744 25927 3139 1 6 . 1 1 17 17 SER CA C 17 62.451 62.451 61.046 1.405 25927 3140 1 6 . 1 1 17 17 SER CB C 17 62.539 62.539 62.989 -0.450 25927 3141 1 6 . 1 1 17 17 SER H H 17 8.926 8.926 8.857 0.069 25927 3142 1 6 . 1 1 18 18 ILE N N 18 120.198 120.198 115.479 4.719 25927 3143 1 6 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.433 -0.362 25927 3144 1 6 . 1 1 18 18 ILE C C 18 177.925 177.925 177.736 0.189 25927 3145 1 6 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.362 2.019 25927 3146 1 6 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.112 -0.532 25927 3147 1 6 . 1 1 18 18 ILE H H 18 7.848 7.848 7.483 0.365 25927 3148 1 6 . 1 1 19 19 GLY N N 19 111.905 111.905 108.658 3.247 25927 3149 1 6 . 1 1 19 19 GLY C C 19 176.153 176.153 176.148 0.005 25927 3150 1 6 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.231 -0.391 25927 3151 1 6 . 1 1 19 19 GLY H H 19 7.921 7.921 8.223 -0.302 25927 3152 1 6 . 1 1 20 20 HIS N N 20 120.808 120.808 121.227 -0.419 25927 3153 1 6 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.550 0.212 25927 3154 1 6 . 1 1 20 20 HIS C C 20 178.606 178.606 177.071 1.535 25927 3155 1 6 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.321 -1.463 25927 3156 1 6 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.173 -2.458 25927 3157 1 6 . 1 1 20 20 HIS H H 20 8.842 8.842 8.499 0.343 25927 3158 1 6 . 1 1 21 21 ASP N N 21 121.572 121.572 119.572 2.000 25927 3159 1 6 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.449 0.085 25927 3160 1 6 . 1 1 21 21 ASP C C 21 179.630 179.630 178.621 1.009 25927 3161 1 6 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.087 0.418 25927 3162 1 6 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.274 -0.509 25927 3163 1 6 . 1 1 21 21 ASP H H 21 8.592 8.592 7.739 0.853 25927 3164 1 6 . 1 1 22 22 PHE N N 22 123.889 123.889 122.575 1.314 25927 3165 1 6 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.121 -0.026 25927 3166 1 6 . 1 1 22 22 PHE C C 22 175.647 175.647 176.691 -1.044 25927 3167 1 6 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.178 0.750 25927 3168 1 6 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.339 -0.192 25927 3169 1 6 . 1 1 22 22 PHE H H 22 8.790 8.790 8.971 -0.181 25927 3170 1 6 . 1 1 23 23 TYR N N 23 119.855 119.855 120.103 -0.248 25927 3171 1 6 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.970 -0.189 25927 3172 1 6 . 1 1 23 23 TYR C C 23 177.585 177.585 177.321 0.264 25927 3173 1 6 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.927 0.046 25927 3174 1 6 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.487 -0.108 25927 3175 1 6 . 1 1 23 23 TYR H H 23 9.008 9.008 7.932 1.076 25927 3176 1 6 . 1 1 24 24 ARG N N 24 120.673 120.673 118.387 2.286 25927 3177 1 6 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.820 -0.102 25927 3178 1 6 . 1 1 24 24 ARG C C 24 177.149 177.149 178.717 -1.568 25927 3179 1 6 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.160 0.200 25927 3180 1 6 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.252 0.182 25927 3181 1 6 . 1 1 24 24 ARG H H 24 8.576 8.576 7.598 0.978 25927 3182 1 6 . 1 1 25 25 ALA N N 25 120.718 120.718 122.760 -2.042 25927 3183 1 6 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.099 0.012 25927 3184 1 6 . 1 1 25 25 ALA C C 25 179.502 179.502 179.145 0.357 25927 3185 1 6 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.811 -0.001 25927 3186 1 6 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.577 0.813 25927 3187 1 6 . 1 1 25 25 ALA H H 25 8.080 8.080 8.440 -0.360 25927 3188 1 6 . 1 1 26 26 PHE N N 26 118.193 118.193 119.280 -1.087 25927 3189 1 6 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.866 -0.368 25927 3190 1 6 . 1 1 26 26 PHE C C 26 177.120 177.120 176.808 0.312 25927 3191 1 6 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.558 0.739 25927 3192 1 6 . 1 1 26 26 PHE CB C 26 39.907 39.907 38.984 0.923 25927 3193 1 6 . 1 1 26 26 PHE H H 26 8.467 8.467 8.206 0.261 25927 3194 1 6 . 1 1 27 27 SER N N 27 112.572 112.572 113.952 -1.380 25927 3195 1 6 . 1 1 27 27 SER HA H 27 3.845 3.845 4.233 -0.388 25927 3196 1 6 . 1 1 27 27 SER C C 27 176.828 176.828 176.492 0.336 25927 3197 1 6 . 1 1 27 27 SER CA C 27 61.656 61.656 61.033 0.622 25927 3198 1 6 . 1 1 27 27 SER CB C 27 62.952 62.952 62.853 0.099 25927 3199 1 6 . 1 1 27 27 SER H H 27 8.477 8.477 7.990 0.487 25927 3200 1 6 . 1 1 28 28 ASP N N 28 119.022 119.022 121.490 -2.468 25927 3201 1 6 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.497 -0.073 25927 3202 1 6 . 1 1 28 28 ASP C C 28 177.325 177.325 177.325 0.000 25927 3203 1 6 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.389 0.268 25927 3204 1 6 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.950 0.324 25927 3205 1 6 . 1 1 28 28 ASP H H 28 8.019 8.019 8.048 -0.029 25927 3206 1 6 . 1 1 29 29 LYS N N 29 115.330 115.330 115.354 -0.024 25927 3207 1 6 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.323 0.036 25927 3208 1 6 . 1 1 29 29 LYS C C 29 175.910 175.910 176.347 -0.437 25927 3209 1 6 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.261 -0.097 25927 3210 1 6 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.735 2.575 25927 3211 1 6 . 1 1 29 29 LYS H H 29 6.910 6.910 7.494 -0.584 25927 3212 1 6 . 1 1 30 30 TRP N N 30 122.847 122.847 123.753 -0.906 25927 3213 1 6 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.070 0.107 25927 3214 1 6 . 1 1 30 30 TRP C C 30 175.188 175.188 175.156 0.032 25927 3215 1 6 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.692 -0.651 25927 3216 1 6 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.765 0.155 25927 3217 1 6 . 1 1 30 30 TRP H H 30 7.638 7.638 7.599 0.039 25927 3218 1 6 . 1 1 31 31 GLU N N 31 128.182 128.182 126.019 2.163 25927 3219 1 6 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.046 0.113 25927 3220 1 6 . 1 1 31 31 GLU C C 31 173.960 173.960 173.944 0.016 25927 3221 1 6 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.334 -0.220 25927 3222 1 6 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.115 -0.032 25927 3223 1 6 . 1 1 31 31 GLU H H 31 7.426 7.426 7.444 -0.018 25927 3224 1 6 . 1 1 32 32 SER N N 32 115.672 115.672 119.989 -4.317 25927 3225 1 6 . 1 1 32 32 SER HA H 32 4.100 4.100 4.548 -0.448 25927 3226 1 6 . 1 1 32 32 SER C C 32 173.864 173.864 173.775 0.089 25927 3227 1 6 . 1 1 32 32 SER CA C 32 57.344 57.344 57.504 -0.160 25927 3228 1 6 . 1 1 32 32 SER CB C 32 64.220 64.220 65.492 -1.272 25927 3229 1 6 . 1 1 32 32 SER H H 32 7.276 7.276 8.054 -0.778 25927 3230 1 6 . 1 1 33 33 ASP N N 33 123.759 123.759 120.654 3.105 25927 3231 1 6 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.661 -0.038 25927 3232 1 6 . 1 1 33 33 ASP C C 33 176.175 176.175 176.392 -0.217 25927 3233 1 6 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.328 -0.199 25927 3234 1 6 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.444 -0.834 25927 3235 1 6 . 1 1 33 33 ASP H H 33 8.429 8.429 8.613 -0.184 25927 3236 1 6 . 1 1 34 34 TYR N N 34 122.283 122.283 117.828 4.455 25927 3237 1 6 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.681 -0.107 25927 3238 1 6 . 1 1 34 34 TYR C C 34 177.025 177.025 175.769 1.256 25927 3239 1 6 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.460 1.357 25927 3240 1 6 . 1 1 34 34 TYR CB C 34 39.134 39.134 38.989 0.145 25927 3241 1 6 . 1 1 34 34 TYR H H 34 8.649 8.649 7.685 0.964 25927 3242 1 6 . 1 1 35 35 THR N N 35 116.852 116.852 112.408 4.444 25927 3243 1 6 . 1 1 35 35 THR HA H 35 4.311 4.311 4.156 0.155 25927 3244 1 6 . 1 1 35 35 THR C C 35 174.704 174.704 174.145 0.559 25927 3245 1 6 . 1 1 35 35 THR CA C 35 61.364 61.364 63.080 -1.716 25927 3246 1 6 . 1 1 35 35 THR CB C 35 69.454 69.454 68.766 0.688 25927 3247 1 6 . 1 1 35 35 THR H H 35 8.067 8.067 8.435 -0.368 25927 3248 1 6 . 1 1 36 36 GLY N N 36 107.698 107.698 107.454 0.244 25927 3249 1 6 . 1 1 36 36 GLY C C 36 171.455 171.455 174.212 -2.757 25927 3250 1 6 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.073 -0.555 25927 3251 1 6 . 1 1 36 36 GLY H H 36 5.732 5.732 6.618 -0.886 25927 3252 1 6 . 1 1 37 37 ASN N N 37 117.424 117.424 118.922 -1.498 25927 3253 1 6 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.722 0.263 25927 3254 1 6 . 1 1 37 37 ASN C C 37 175.393 175.393 173.682 1.711 25927 3255 1 6 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.270 0.563 25927 3256 1 6 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.263 3.250 25927 3257 1 6 . 1 1 37 37 ASN H H 37 8.346 8.346 8.503 -0.157 25927 3258 1 6 . 1 1 38 38 LEU N N 38 126.809 126.809 118.568 8.241 25927 3259 1 6 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.643 -0.645 25927 3260 1 6 . 1 1 38 38 LEU C C 38 175.770 175.770 175.354 0.416 25927 3261 1 6 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.839 2.175 25927 3262 1 6 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.551 -0.485 25927 3263 1 6 . 1 1 38 38 LEU H H 38 8.469 8.469 7.771 0.698 25927 3264 1 6 . 1 1 39 39 THR N N 39 119.369 119.369 114.239 5.130 25927 3265 1 6 . 1 1 39 39 THR HA H 39 4.799 4.799 4.920 -0.120 25927 3266 1 6 . 1 1 39 39 THR C C 39 172.224 172.224 172.693 -0.469 25927 3267 1 6 . 1 1 39 39 THR CA C 39 61.958 61.958 60.537 1.421 25927 3268 1 6 . 1 1 39 39 THR CB C 39 70.327 70.327 72.120 -1.793 25927 3269 1 6 . 1 1 39 39 THR H H 39 8.849 8.849 8.894 -0.045 25927 3270 1 6 . 1 1 40 40 ILE N N 40 125.490 125.490 123.867 1.623 25927 3271 1 6 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.359 0.161 25927 3272 1 6 . 1 1 40 40 ILE C C 40 173.125 173.125 173.734 -0.609 25927 3273 1 6 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.368 0.812 25927 3274 1 6 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.142 -2.692 25927 3275 1 6 . 1 1 40 40 ILE H H 40 8.562 8.562 7.935 0.627 25927 3276 1 6 . 1 1 41 41 ASN N N 41 124.656 124.656 124.076 0.580 25927 3277 1 6 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.697 -0.797 25927 3278 1 6 . 1 1 41 41 ASN C C 41 173.445 173.445 174.030 -0.585 25927 3279 1 6 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.576 0.503 25927 3280 1 6 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.391 -0.275 25927 3281 1 6 . 1 1 41 41 ASN H H 41 9.173 9.173 8.798 0.375 25927 3282 1 6 . 1 1 42 42 GLU N N 42 120.095 120.095 121.301 -1.206 25927 3283 1 6 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.314 0.071 25927 3284 1 6 . 1 1 42 42 GLU C C 42 173.971 173.971 175.374 -1.403 25927 3285 1 6 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.714 -0.584 25927 3286 1 6 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.255 2.202 25927 3287 1 6 . 1 1 42 42 GLU H H 42 7.741 7.741 8.232 -0.491 25927 3288 1 6 . 1 1 43 43 ARG N N 43 127.178 127.178 121.574 5.604 25927 3289 1 6 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.782 0.251 25927 3290 1 6 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.274 0.421 25927 3291 1 6 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.055 0.433 25927 3292 1 6 . 1 1 43 43 ARG H H 43 9.039 9.039 8.709 0.331 25927 3293 1 6 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.604 0.123 25927 3294 1 6 . 1 1 44 44 PRO C C 44 176.335 176.335 176.178 0.157 25927 3295 1 6 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.784 0.558 25927 3296 1 6 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.256 0.418 25927 3297 1 6 . 1 1 45 45 SER N N 45 117.089 117.089 122.587 -5.498 25927 3298 1 6 . 1 1 45 45 SER HA H 45 4.837 4.837 4.719 0.118 25927 3299 1 6 . 1 1 45 45 SER C C 45 174.334 174.334 174.605 -0.271 25927 3300 1 6 . 1 1 45 45 SER CA C 45 56.688 56.688 57.592 -0.904 25927 3301 1 6 . 1 1 45 45 SER CB C 45 64.628 64.628 64.317 0.311 25927 3302 1 6 . 1 1 45 45 SER H H 45 8.497 8.497 8.909 -0.412 25927 3303 1 6 . 1 1 46 46 ALA N N 46 126.901 126.901 128.013 -1.112 25927 3304 1 6 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.097 0.125 25927 3305 1 6 . 1 1 46 46 ALA C C 46 178.171 178.171 178.618 -0.447 25927 3306 1 6 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.511 -0.423 25927 3307 1 6 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.717 -0.125 25927 3308 1 6 . 1 1 46 46 ALA H H 46 8.780 8.780 8.765 0.015 25927 3309 1 6 . 1 1 47 47 ARG N N 47 117.860 117.860 118.526 -0.666 25927 3310 1 6 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.186 0.224 25927 3311 1 6 . 1 1 47 47 ARG C C 47 175.674 175.674 176.823 -1.149 25927 3312 1 6 . 1 1 47 47 ARG CA C 47 56.252 56.252 57.449 -1.197 25927 3313 1 6 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.899 0.687 25927 3314 1 6 . 1 1 47 47 ARG H H 47 8.381 8.381 8.310 0.071 25927 3315 1 6 . 1 1 48 48 ALA N N 48 121.099 121.099 117.939 3.160 25927 3316 1 6 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.717 -0.298 25927 3317 1 6 . 1 1 48 48 ALA C C 48 176.874 176.874 176.536 0.338 25927 3318 1 6 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.185 1.083 25927 3319 1 6 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.166 -1.385 25927 3320 1 6 . 1 1 48 48 ALA H H 48 8.012 8.012 8.207 -0.195 25927 3321 1 6 . 1 1 49 49 GLY N N 49 106.126 106.126 107.196 -1.070 25927 3322 1 6 . 1 1 49 49 GLY C C 49 172.803 172.803 172.092 0.711 25927 3323 1 6 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.947 -1.456 25927 3324 1 6 . 1 1 49 49 GLY H H 49 7.946 7.946 8.514 -0.568 25927 3325 1 6 . 1 1 50 50 SER N N 50 113.972 113.972 116.175 -2.203 25927 3326 1 6 . 1 1 50 50 SER HA H 50 4.736 4.736 5.123 -0.387 25927 3327 1 6 . 1 1 50 50 SER C C 50 171.367 171.367 172.597 -1.230 25927 3328 1 6 . 1 1 50 50 SER CA C 50 57.165 57.165 56.195 0.970 25927 3329 1 6 . 1 1 50 50 SER CB C 50 66.797 66.797 66.261 0.536 25927 3330 1 6 . 1 1 50 50 SER H H 50 7.631 7.631 8.200 -0.569 25927 3331 1 6 . 1 1 51 51 TRP N N 51 121.787 121.787 123.462 -1.675 25927 3332 1 6 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.178 0.677 25927 3333 1 6 . 1 1 51 51 TRP C C 51 176.055 176.055 175.833 0.222 25927 3334 1 6 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.278 -0.485 25927 3335 1 6 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.479 0.055 25927 3336 1 6 . 1 1 51 51 TRP H H 51 8.588 8.588 8.597 -0.009 25927 3337 1 6 . 1 1 52 52 ILE N N 52 126.898 126.898 124.790 2.108 25927 3338 1 6 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.815 0.256 25927 3339 1 6 . 1 1 52 52 ILE C C 52 175.754 175.754 175.118 0.636 25927 3340 1 6 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.549 -1.816 25927 3341 1 6 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.256 0.099 25927 3342 1 6 . 1 1 52 52 ILE H H 52 8.963 8.963 9.087 -0.124 25927 3343 1 6 . 1 1 53 53 THR N N 53 116.271 116.271 123.680 -7.409 25927 3344 1 6 . 1 1 53 53 THR HA H 53 5.095 5.095 4.787 0.308 25927 3345 1 6 . 1 1 53 53 THR C C 53 173.382 173.382 172.853 0.529 25927 3346 1 6 . 1 1 53 53 THR CA C 53 59.290 59.290 61.778 -2.488 25927 3347 1 6 . 1 1 53 53 THR CB C 53 71.819 71.819 70.858 0.961 25927 3348 1 6 . 1 1 53 53 THR H H 53 8.371 8.371 9.146 -0.775 25927 3349 1 6 . 1 1 54 54 ILE N N 54 124.947 124.947 129.728 -4.781 25927 3350 1 6 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.076 0.107 25927 3351 1 6 . 1 1 54 54 ILE C C 54 175.952 175.952 173.892 2.060 25927 3352 1 6 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.355 2.239 25927 3353 1 6 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.817 -2.200 25927 3354 1 6 . 1 1 54 54 ILE H H 54 9.056 9.056 9.046 0.010 25927 3355 1 6 . 1 1 55 55 THR N N 55 118.298 118.298 123.085 -4.787 25927 3356 1 6 . 1 1 55 55 THR HA H 55 5.458 5.458 5.118 0.340 25927 3357 1 6 . 1 1 55 55 THR C C 55 173.980 173.980 173.564 0.416 25927 3358 1 6 . 1 1 55 55 THR CA C 55 58.717 58.717 59.763 -1.046 25927 3359 1 6 . 1 1 55 55 THR CB C 55 71.839 71.839 71.065 0.774 25927 3360 1 6 . 1 1 55 55 THR H H 55 9.250 9.250 8.901 0.349 25927 3361 1 6 . 1 1 56 56 VAL N N 56 120.047 120.047 125.939 -5.892 25927 3362 1 6 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.719 -0.299 25927 3363 1 6 . 1 1 56 56 VAL C C 56 176.226 176.226 176.518 -0.292 25927 3364 1 6 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.669 -0.627 25927 3365 1 6 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.953 1.808 25927 3366 1 6 . 1 1 56 56 VAL H H 56 8.435 8.435 8.810 -0.375 25927 3367 1 6 . 1 1 57 57 ASN N N 57 125.479 125.479 126.836 -1.357 25927 3368 1 6 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.265 -0.070 25927 3369 1 6 . 1 1 57 57 ASN C C 57 175.026 175.026 175.572 -0.546 25927 3370 1 6 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.574 -0.878 25927 3371 1 6 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.340 -0.341 25927 3372 1 6 . 1 1 57 57 ASN H H 57 9.199 9.199 9.368 -0.169 25927 3373 1 6 . 1 1 58 58 GLN N N 58 116.897 116.897 116.339 0.558 25927 3374 1 6 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.485 -0.299 25927 3375 1 6 . 1 1 58 58 GLN C C 58 175.237 175.237 174.779 0.458 25927 3376 1 6 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.501 1.338 25927 3377 1 6 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.068 -2.485 25927 3378 1 6 . 1 1 58 58 GLN H H 58 8.576 8.576 8.250 0.326 25927 3379 1 6 . 1 1 59 59 ASP N N 59 122.465 122.465 122.833 -0.368 25927 3380 1 6 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.892 -0.176 25927 3381 1 6 . 1 1 59 59 ASP C C 59 175.302 175.302 174.487 0.815 25927 3382 1 6 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.730 0.403 25927 3383 1 6 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.123 -2.670 25927 3384 1 6 . 1 1 59 59 ASP H H 59 8.343 8.343 8.226 0.117 25927 3385 1 6 . 1 1 60 60 VAL N N 60 124.577 124.577 123.547 1.030 25927 3386 1 6 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.133 -0.256 25927 3387 1 6 . 1 1 60 60 VAL C C 60 176.802 176.802 175.546 1.256 25927 3388 1 6 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.961 0.820 25927 3389 1 6 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.715 -0.982 25927 3390 1 6 . 1 1 60 60 VAL H H 60 8.754 8.754 8.724 0.030 25927 3391 1 6 . 1 1 61 61 ILE N N 61 123.852 123.852 124.356 -0.504 25927 3392 1 6 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.563 -0.044 25927 3393 1 6 . 1 1 61 61 ILE C C 61 175.073 175.073 175.131 -0.058 25927 3394 1 6 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.238 -0.639 25927 3395 1 6 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.190 -1.220 25927 3396 1 6 . 1 1 61 61 ILE H H 61 8.984 8.984 8.094 0.890 25927 3397 1 6 . 1 1 62 62 PHE N N 62 119.927 119.927 121.028 -1.101 25927 3398 1 6 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.866 -0.220 25927 3399 1 6 . 1 1 62 62 PHE C C 62 171.958 171.958 172.760 -0.802 25927 3400 1 6 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.121 1.250 25927 3401 1 6 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.779 0.031 25927 3402 1 6 . 1 1 62 62 PHE H H 62 7.557 7.557 7.603 -0.046 25927 3403 1 6 . 1 1 63 63 GLN N N 63 125.524 125.524 122.773 2.751 25927 3404 1 6 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.825 0.284 25927 3405 1 6 . 1 1 63 63 GLN C C 63 172.837 172.837 173.563 -0.726 25927 3406 1 6 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.885 -0.123 25927 3407 1 6 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.783 -0.103 25927 3408 1 6 . 1 1 63 63 GLN H H 63 7.389 7.389 7.694 -0.305 25927 3409 1 6 . 1 1 64 64 THR N N 64 115.981 115.981 114.947 1.034 25927 3410 1 6 . 1 1 64 64 THR HA H 64 4.428 4.428 4.536 -0.108 25927 3411 1 6 . 1 1 64 64 THR C C 64 169.980 169.980 172.159 -2.179 25927 3412 1 6 . 1 1 64 64 THR CA C 64 60.555 60.555 61.029 -0.474 25927 3413 1 6 . 1 1 64 64 THR CB C 64 69.083 69.083 71.827 -2.744 25927 3414 1 6 . 1 1 64 64 THR H H 64 8.588 8.588 8.736 -0.148 25927 3415 1 6 . 1 1 65 65 PHE N N 65 125.997 125.997 123.829 2.168 25927 3416 1 6 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.568 -0.154 25927 3417 1 6 . 1 1 65 65 PHE C C 65 173.940 173.940 174.523 -0.583 25927 3418 1 6 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.265 -0.015 25927 3419 1 6 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.096 0.617 25927 3420 1 6 . 1 1 65 65 PHE H H 65 8.054 8.054 8.308 -0.254 25927 3421 1 6 . 1 1 66 66 LEU N N 66 127.935 127.935 125.930 2.005 25927 3422 1 6 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.632 -0.180 25927 3423 1 6 . 1 1 66 66 LEU C C 66 174.502 174.502 175.217 -0.715 25927 3424 1 6 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.571 -0.962 25927 3425 1 6 . 1 1 66 66 LEU H H 66 8.383 8.383 8.589 -0.206 25927 3426 1 6 . 1 1 67 67 PHE N N 67 123.162 123.162 119.309 3.853 25927 3427 1 6 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.461 -0.837 25927 3428 1 6 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.724 -1.597 25927 3429 1 6 . 1 1 67 67 PHE H H 67 8.285 8.285 8.903 -0.618 25927 3430 1 6 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.520 -0.073 25927 3431 1 6 . 1 1 68 68 PRO C C 68 175.918 175.918 177.050 -1.132 25927 3432 1 6 . 1 1 68 68 PRO CA C 68 61.623 61.623 63.925 -2.302 25927 3433 1 6 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.251 -0.030 25927 3434 1 6 . 1 1 69 69 LEU N N 69 121.360 121.360 118.848 2.512 25927 3435 1 6 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.384 -0.190 25927 3436 1 6 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.521 -0.270 25927 3437 1 6 . 1 1 69 69 LEU CB C 69 40.677 40.677 41.693 -1.016 25927 3438 1 6 . 1 1 69 69 LEU H H 69 8.300 8.300 8.448 -0.148 25927 3439 1 6 . 1 1 70 70 LYS N N 70 123.012 123.012 119.354 3.658 25927 3440 1 6 . 1 1 70 70 LYS CA C 70 55.700 55.700 56.037 -0.337 25927 3441 1 6 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.225 -3.505 25927 3442 1 6 . 1 1 70 70 LYS H H 70 8.156 8.156 7.789 0.367 25927 3443 1 6 . 1 1 71 71 ARG N N 71 125.250 125.250 121.054 4.196 25927 3444 1 6 . 1 1 71 71 ARG C C 71 179.581 179.581 176.742 2.839 25927 3445 1 6 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.575 0.643 25927 3446 1 6 . 1 1 71 71 ARG H H 71 8.279 8.279 8.809 -0.530 25927 3447 1 6 . 1 1 72 72 ASP N N 72 119.355 119.355 120.295 -0.940 25927 3448 1 6 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.513 0.233 25927 3449 1 6 . 1 1 72 72 ASP C C 72 177.124 177.124 177.167 -0.043 25927 3450 1 6 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.814 -0.141 25927 3451 1 6 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.412 -0.365 25927 3452 1 6 . 1 1 72 72 ASP H H 72 8.182 8.182 8.302 -0.120 25927 3453 1 6 . 1 1 73 73 PHE N N 73 122.846 122.846 121.838 1.008 25927 3454 1 6 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.106 0.024 25927 3455 1 6 . 1 1 73 73 PHE C C 73 176.729 176.729 176.801 -0.072 25927 3456 1 6 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.195 0.827 25927 3457 1 6 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.209 0.995 25927 3458 1 6 . 1 1 73 73 PHE H H 73 8.197 8.197 8.337 -0.140 25927 3459 1 6 . 1 1 74 74 GLU N N 74 118.652 118.652 118.594 0.058 25927 3460 1 6 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.881 -0.037 25927 3461 1 6 . 1 1 74 74 GLU C C 74 179.310 179.310 178.710 0.600 25927 3462 1 6 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.720 0.931 25927 3463 1 6 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.363 -0.714 25927 3464 1 6 . 1 1 74 74 GLU H H 74 9.098 9.098 9.084 0.014 25927 3465 1 6 . 1 1 75 75 LYS N N 75 117.836 117.836 119.404 -1.568 25927 3466 1 6 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.086 -0.007 25927 3467 1 6 . 1 1 75 75 LYS C C 75 179.312 179.312 179.330 -0.018 25927 3468 1 6 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.413 -0.133 25927 3469 1 6 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.227 0.115 25927 3470 1 6 . 1 1 75 75 LYS H H 75 8.078 8.078 7.751 0.327 25927 3471 1 6 . 1 1 76 76 THR N N 76 118.581 118.581 117.577 1.004 25927 3472 1 6 . 1 1 76 76 THR HA H 76 4.168 4.168 4.142 0.026 25927 3473 1 6 . 1 1 76 76 THR C C 76 175.873 175.873 176.781 -0.908 25927 3474 1 6 . 1 1 76 76 THR CA C 76 67.009 67.009 66.932 0.077 25927 3475 1 6 . 1 1 76 76 THR CB C 76 68.404 68.404 68.571 -0.167 25927 3476 1 6 . 1 1 76 76 THR H H 76 8.031 8.031 8.332 -0.301 25927 3477 1 6 . 1 1 77 77 VAL N N 77 122.994 122.994 121.704 1.290 25927 3478 1 6 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.530 -0.138 25927 3479 1 6 . 1 1 77 77 VAL C C 77 177.137 177.137 177.575 -0.438 25927 3480 1 6 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.884 0.571 25927 3481 1 6 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.240 0.333 25927 3482 1 6 . 1 1 77 77 VAL H H 77 7.999 7.999 8.127 -0.128 25927 3483 1 6 . 1 1 78 78 VAL N N 78 117.994 117.994 118.913 -0.919 25927 3484 1 6 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.491 0.057 25927 3485 1 6 . 1 1 78 78 VAL C C 78 177.830 177.830 177.528 0.302 25927 3486 1 6 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.427 0.847 25927 3487 1 6 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.284 0.459 25927 3488 1 6 . 1 1 78 78 VAL H H 78 7.745 7.745 7.982 -0.237 25927 3489 1 6 . 1 1 79 79 ALA N N 79 120.460 120.460 121.207 -0.747 25927 3490 1 6 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.066 0.114 25927 3491 1 6 . 1 1 79 79 ALA C C 79 176.512 176.512 179.139 -2.627 25927 3492 1 6 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.932 0.169 25927 3493 1 6 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.102 0.068 25927 3494 1 6 . 1 1 79 79 ALA H H 79 7.844 7.844 8.432 -0.588 25927 3495 1 6 . 1 1 80 80 ALA N N 80 119.351 119.351 120.549 -1.198 25927 3496 1 6 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.696 -0.700 25927 3497 1 6 . 1 1 80 80 ALA C C 80 180.805 180.805 179.431 1.374 25927 3498 1 6 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.867 -0.210 25927 3499 1 6 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.472 0.886 25927 3500 1 6 . 1 1 80 80 ALA H H 80 8.178 8.178 8.002 0.176 25927 3501 1 6 . 1 1 81 81 LEU N N 81 123.041 123.041 119.503 3.538 25927 3502 1 6 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.003 -0.139 25927 3503 1 6 . 1 1 81 81 LEU C C 81 179.526 179.526 179.064 0.462 25927 3504 1 6 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.740 1.145 25927 3505 1 6 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.606 0.945 25927 3506 1 6 . 1 1 81 81 LEU H H 81 8.469 8.469 7.259 1.210 25927 3507 1 6 . 1 1 82 82 ILE N N 82 119.350 119.350 118.440 0.910 25927 3508 1 6 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.566 0.261 25927 3509 1 6 . 1 1 82 82 ILE C C 82 179.375 179.375 178.183 1.192 25927 3510 1 6 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.392 -0.813 25927 3511 1 6 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.683 0.931 25927 3512 1 6 . 1 1 82 82 ILE H H 82 7.988 7.988 7.262 0.726 25927 3513 1 6 . 1 1 83 83 GLN N N 83 118.033 118.033 118.386 -0.353 25927 3514 1 6 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.919 0.274 25927 3515 1 6 . 1 1 83 83 GLN C C 83 179.932 179.932 178.611 1.321 25927 3516 1 6 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.787 0.376 25927 3517 1 6 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.032 0.662 25927 3518 1 6 . 1 1 83 83 GLN H H 83 8.665 8.665 8.177 0.488 25927 3519 1 6 . 1 1 84 84 THR N N 84 118.583 118.583 115.293 3.290 25927 3520 1 6 . 1 1 84 84 THR HA H 84 3.813 3.813 4.040 -0.227 25927 3521 1 6 . 1 1 84 84 THR C C 84 175.824 175.824 176.240 -0.416 25927 3522 1 6 . 1 1 84 84 THR CA C 84 68.515 68.515 67.602 0.913 25927 3523 1 6 . 1 1 84 84 THR CB C 84 67.514 67.514 68.785 -1.271 25927 3524 1 6 . 1 1 84 84 THR H H 84 8.355 8.355 8.212 0.143 25927 3525 1 6 . 1 1 85 85 GLU N N 85 121.547 121.547 120.779 0.768 25927 3526 1 6 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.127 0.046 25927 3527 1 6 . 1 1 85 85 GLU C C 85 178.637 178.637 178.588 0.049 25927 3528 1 6 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.145 1.231 25927 3529 1 6 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.986 0.226 25927 3530 1 6 . 1 1 85 85 GLU H H 85 7.846 7.846 7.806 0.040 25927 3531 1 6 . 1 1 86 86 GLU N N 86 118.203 118.203 119.324 -1.121 25927 3532 1 6 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.019 0.085 25927 3533 1 6 . 1 1 86 86 GLU C C 86 179.080 179.080 178.820 0.260 25927 3534 1 6 . 1 1 86 86 GLU CA C 86 59.684 59.684 58.880 0.803 25927 3535 1 6 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.056 0.502 25927 3536 1 6 . 1 1 86 86 GLU H H 86 8.154 8.154 8.494 -0.340 25927 3537 1 6 . 1 1 87 87 ALA N N 87 121.242 121.242 121.600 -0.358 25927 3538 1 6 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.106 0.070 25927 3539 1 6 . 1 1 87 87 ALA C C 87 181.299 181.299 179.269 2.030 25927 3540 1 6 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.744 0.472 25927 3541 1 6 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.623 0.610 25927 3542 1 6 . 1 1 87 87 ALA H H 87 8.181 8.181 7.459 0.722 25927 3543 1 6 . 1 1 88 88 LEU N N 88 119.086 119.086 117.608 1.478 25927 3544 1 6 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.077 -0.080 25927 3545 1 6 . 1 1 88 88 LEU C C 88 179.526 179.526 178.278 1.248 25927 3546 1 6 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.045 1.503 25927 3547 1 6 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.380 -0.136 25927 3548 1 6 . 1 1 88 88 LEU H H 88 8.379 8.379 7.479 0.900 25927 3549 1 6 . 1 1 89 89 ASN N N 89 119.429 119.429 118.675 0.754 25927 3550 1 6 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.447 0.120 25927 3551 1 6 . 1 1 89 89 ASN C C 89 177.117 177.117 176.220 0.897 25927 3552 1 6 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.326 -0.322 25927 3553 1 6 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.236 0.112 25927 3554 1 6 . 1 1 89 89 ASN H H 89 8.271 8.271 8.712 -0.441 25927 3555 1 6 . 1 1 90 90 ARG N N 90 118.735 118.735 114.579 4.156 25927 3556 1 6 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.383 -0.230 25927 3557 1 6 . 1 1 90 90 ARG C C 90 177.836 177.836 176.402 1.434 25927 3558 1 6 . 1 1 90 90 ARG CA C 90 58.574 58.574 55.836 2.738 25927 3559 1 6 . 1 1 90 90 ARG CB C 90 30.230 30.230 29.824 0.406 25927 3560 1 6 . 1 1 90 90 ARG H H 90 8.010 8.010 7.532 0.478 25927 3561 1 6 . 1 1 91 91 ARG N N 91 118.976 118.976 118.834 0.142 25927 3562 1 6 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.229 -0.020 25927 3563 1 6 . 1 1 91 91 ARG C C 91 177.455 177.455 177.565 -0.110 25927 3564 1 6 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.069 -0.043 25927 3565 1 6 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.208 -0.421 25927 3566 1 6 . 1 1 91 91 ARG H H 91 7.833 7.833 7.580 0.253 25927 3567 1 6 . 1 1 92 92 GLN N N 92 118.834 118.834 113.923 4.911 25927 3568 1 6 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.468 -0.211 25927 3569 1 6 . 1 1 92 92 GLN C C 92 177.362 177.362 177.723 -0.361 25927 3570 1 6 . 1 1 92 92 GLN CA C 92 57.488 57.488 57.355 0.133 25927 3571 1 6 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.543 -1.411 25927 3572 1 6 . 1 1 92 92 GLN H H 92 7.988 7.988 8.235 -0.247 25927 3573 1 6 . 1 1 93 93 ILE N N 93 120.499 120.499 122.263 -1.764 25927 3574 1 6 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.725 0.291 25927 3575 1 6 . 1 1 93 93 ILE C C 93 177.002 177.002 177.088 -0.086 25927 3576 1 6 . 1 1 93 93 ILE CA C 93 62.861 62.861 65.188 -2.327 25927 3577 1 6 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.394 1.174 25927 3578 1 6 . 1 1 93 93 ILE H H 93 7.976 7.976 7.961 0.015 25927 3579 1 6 . 1 1 94 94 ASN N N 94 120.172 120.172 119.195 0.977 25927 3580 1 6 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.325 0.314 25927 3581 1 6 . 1 1 94 94 ASN C C 94 176.336 176.336 177.727 -1.391 25927 3582 1 6 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.104 -2.787 25927 3583 1 6 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.362 0.238 25927 3584 1 6 . 1 1 94 94 ASN H H 94 8.272 8.272 8.056 0.216 25927 3585 1 6 . 1 1 95 95 GLN N N 95 120.288 120.288 117.580 2.708 25927 3586 1 6 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.097 0.083 25927 3587 1 6 . 1 1 95 95 GLN C C 95 176.701 176.701 177.628 -0.927 25927 3588 1 6 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.538 -1.359 25927 3589 1 6 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.599 0.397 25927 3590 1 6 . 1 1 95 95 GLN H H 95 8.303 8.303 8.002 0.301 25927 3591 1 6 . 1 1 96 96 ALA N N 96 123.219 123.219 121.974 1.245 25927 3592 1 6 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.237 0.024 25927 3593 1 6 . 1 1 96 96 ALA C C 96 178.429 178.429 179.056 -0.627 25927 3594 1 6 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.366 -0.934 25927 3595 1 6 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.954 -0.181 25927 3596 1 6 . 1 1 96 96 ALA H H 96 8.112 8.112 7.518 0.594 25927 3597 1 6 . 1 1 97 97 LEU N N 97 119.452 119.452 116.821 2.631 25927 3598 1 6 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.264 0.037 25927 3599 1 6 . 1 1 97 97 LEU C C 97 177.834 177.834 178.840 -1.006 25927 3600 1 6 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.161 -1.415 25927 3601 1 6 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.864 0.426 25927 3602 1 6 . 1 1 97 97 LEU H H 97 7.932 7.932 7.958 -0.026 25927 3603 1 6 . 1 1 98 98 LEU N N 98 121.124 121.124 119.392 1.732 25927 3604 1 6 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.130 0.247 25927 3605 1 6 . 1 1 98 98 LEU C C 98 177.729 177.729 177.946 -0.217 25927 3606 1 6 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.183 -1.757 25927 3607 1 6 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.450 -0.044 25927 3608 1 6 . 1 1 98 98 LEU H H 98 7.947 7.947 8.033 -0.086 25927 3609 1 6 . 1 1 99 99 SER N N 99 115.913 115.913 109.664 6.249 25927 3610 1 6 . 1 1 99 99 SER HA H 99 4.525 4.525 4.479 0.046 25927 3611 1 6 . 1 1 99 99 SER C C 99 174.980 174.980 173.723 1.257 25927 3612 1 6 . 1 1 99 99 SER CA C 99 58.478 58.478 58.168 0.310 25927 3613 1 6 . 1 1 99 99 SER CB C 99 63.839 63.839 64.239 -0.400 25927 3614 1 6 . 1 1 99 99 SER H H 99 8.238 8.238 7.874 0.364 25927 3615 1 6 . 1 1 100 100 THR N N 100 114.610 114.610 116.169 -1.559 25927 3616 1 6 . 1 1 100 100 THR HA H 100 4.361 4.361 4.447 -0.086 25927 3617 1 6 . 1 1 100 100 THR C C 100 175.368 175.368 174.354 1.014 25927 3618 1 6 . 1 1 100 100 THR CA C 100 62.195 62.195 63.133 -0.938 25927 3619 1 6 . 1 1 100 100 THR CB C 100 69.794 69.794 70.115 -0.321 25927 3620 1 6 . 1 1 100 100 THR H H 100 8.140 8.140 8.718 -0.578 25927 3621 1 6 . 1 1 101 101 GLY N N 101 110.650 110.650 117.384 -6.734 25927 3622 1 6 . 1 1 101 101 GLY C C 101 173.935 173.935 174.712 -0.777 25927 3623 1 6 . 1 1 101 101 GLY CA C 101 45.493 45.493 45.671 -0.178 25927 3624 1 6 . 1 1 101 101 GLY H H 101 8.353 8.353 8.519 -0.166 25927 3625 1 6 . 1 1 102 102 ASP N N 102 120.512 120.512 119.639 0.873 25927 3626 1 6 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.563 0.040 25927 3627 1 6 . 1 1 102 102 ASP C C 102 176.419 176.419 176.525 -0.106 25927 3628 1 6 . 1 1 102 102 ASP CA C 102 54.291 54.291 55.440 -1.149 25927 3629 1 6 . 1 1 102 102 ASP CB C 102 41.277 41.277 41.624 -0.347 25927 3630 1 6 . 1 1 102 102 ASP H H 102 8.204 8.204 7.534 0.670 25927 3631 1 6 . 1 1 103 103 LEU N N 103 122.331 122.331 117.188 5.143 25927 3632 1 6 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.034 0.224 25927 3633 1 6 . 1 1 103 103 LEU C C 103 177.394 177.394 176.111 1.283 25927 3634 1 6 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.473 0.055 25927 3635 1 6 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.594 -0.366 25927 3636 1 6 . 1 1 103 103 LEU H H 103 8.170 8.170 7.894 0.276 25927 3637 1 6 . 1 1 104 104 ALA N N 104 123.139 123.139 118.655 4.484 25927 3638 1 6 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.595 -0.395 25927 3639 1 6 . 1 1 104 104 ALA C C 104 177.730 177.730 176.211 1.519 25927 3640 1 6 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.340 1.434 25927 3641 1 6 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.578 -0.573 25927 3642 1 6 . 1 1 104 104 ALA H H 104 8.150 8.150 7.792 0.358 25927 3643 1 6 . 1 1 105 105 HIS N N 105 117.105 117.105 118.844 -1.739 25927 3644 1 6 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.717 -0.076 25927 3645 1 6 . 1 1 105 105 HIS C C 105 174.414 174.414 175.423 -1.009 25927 3646 1 6 . 1 1 105 105 HIS CA C 105 55.520 55.520 55.436 0.084 25927 3647 1 6 . 1 1 105 105 HIS CB C 105 29.278 29.278 29.604 -0.326 25927 3648 1 6 . 1 1 105 105 HIS H H 105 8.239 8.239 7.831 0.408 25927 3649 1 6 . 1 1 106 106 ASP N N 106 121.315 121.315 122.669 -1.354 25927 3650 1 6 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.445 0.158 25927 3651 1 6 . 1 1 106 106 ASP C C 106 176.370 176.370 176.239 0.131 25927 3652 1 6 . 1 1 106 106 ASP CA C 106 54.319 54.319 55.295 -0.976 25927 3653 1 6 . 1 1 106 106 ASP CB C 106 41.414 41.414 39.286 2.128 25927 3654 1 6 . 1 1 106 106 ASP H H 106 8.298 8.298 9.002 -0.704 25927 3655 1 6 . 1 1 107 107 GLU N N 107 121.228 121.228 117.691 3.537 25927 3656 1 6 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.052 0.056 25927 3657 1 6 . 1 1 107 107 GLU C C 107 176.248 176.248 175.773 0.475 25927 3658 1 6 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.976 -0.784 25927 3659 1 6 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.148 -0.053 25927 3660 1 6 . 1 1 107 107 GLU H H 107 8.536 8.536 8.564 -0.028 25927 3661 1 7 . 1 1 2 2 VAL N N 2 119.413 119.413 118.114 1.299 25927 3662 1 7 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.985 -0.853 25927 3663 1 7 . 1 1 2 2 VAL C C 2 175.957 175.957 175.419 0.538 25927 3664 1 7 . 1 1 2 2 VAL CA C 2 62.517 62.517 61.609 0.908 25927 3665 1 7 . 1 1 2 2 VAL CB C 2 32.676 32.676 34.145 -1.470 25927 3666 1 7 . 1 1 2 2 VAL H H 2 8.453 8.453 9.136 -0.683 25927 3667 1 7 . 1 1 3 3 GLU N N 3 125.255 125.255 122.935 2.320 25927 3668 1 7 . 1 1 3 3 GLU HA H 3 4.348 4.348 5.112 -0.764 25927 3669 1 7 . 1 1 3 3 GLU C C 3 176.154 176.154 174.631 1.523 25927 3670 1 7 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.233 1.236 25927 3671 1 7 . 1 1 3 3 GLU CB C 3 30.382 30.382 32.645 -2.263 25927 3672 1 7 . 1 1 3 3 GLU H H 3 8.587 8.587 8.620 -0.033 25927 3673 1 7 . 1 1 4 4 VAL N N 4 121.132 121.132 120.497 0.635 25927 3674 1 7 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.192 -0.071 25927 3675 1 7 . 1 1 4 4 VAL C C 4 175.762 175.762 175.399 0.363 25927 3676 1 7 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.338 0.690 25927 3677 1 7 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.793 -1.737 25927 3678 1 7 . 1 1 4 4 VAL H H 4 8.172 8.172 8.346 -0.174 25927 3679 1 7 . 1 1 5 5 GLU N N 5 125.223 125.223 124.758 0.465 25927 3680 1 7 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.193 0.131 25927 3681 1 7 . 1 1 5 5 GLU C C 5 176.006 176.006 175.903 0.103 25927 3682 1 7 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.745 -0.355 25927 3683 1 7 . 1 1 5 5 GLU CB C 5 30.419 30.419 27.683 2.736 25927 3684 1 7 . 1 1 5 5 GLU H H 5 8.472 8.472 8.780 -0.308 25927 3685 1 7 . 1 1 6 6 VAL N N 6 123.435 123.435 121.295 2.140 25927 3686 1 7 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.910 0.526 25927 3687 1 7 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.845 -5.099 25927 3688 1 7 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.493 2.245 25927 3689 1 7 . 1 1 6 6 VAL H H 6 8.288 8.288 8.155 0.133 25927 3690 1 7 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.600 -0.164 25927 3691 1 7 . 1 1 7 7 PRO C C 7 177.461 177.461 176.478 0.983 25927 3692 1 7 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.319 1.026 25927 3693 1 7 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.809 -0.505 25927 3694 1 7 . 1 1 8 8 GLY N N 8 108.925 108.925 106.448 2.477 25927 3695 1 7 . 1 1 8 8 GLY C C 8 173.995 173.995 173.313 0.682 25927 3696 1 7 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.895 0.531 25927 3697 1 7 . 1 1 8 8 GLY H H 8 8.334 8.334 8.216 0.118 25927 3698 1 7 . 1 1 9 9 LEU N N 9 121.559 121.559 121.052 0.507 25927 3699 1 7 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.750 -0.291 25927 3700 1 7 . 1 1 9 9 LEU C C 9 176.870 176.870 175.759 1.111 25927 3701 1 7 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.396 1.225 25927 3702 1 7 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.230 0.818 25927 3703 1 7 . 1 1 9 9 LEU H H 9 8.150 8.150 8.486 -0.336 25927 3704 1 7 . 1 1 10 10 LEU N N 10 122.690 122.690 122.509 0.181 25927 3705 1 7 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.410 0.751 25927 3706 1 7 . 1 1 10 10 LEU C C 10 177.427 177.427 177.145 0.282 25927 3707 1 7 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.754 -1.892 25927 3708 1 7 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.892 1.756 25927 3709 1 7 . 1 1 10 10 LEU H H 10 8.348 8.348 7.733 0.615 25927 3710 1 7 . 1 1 11 11 THR N N 11 124.118 124.118 119.001 5.117 25927 3711 1 7 . 1 1 11 11 THR HA H 11 4.295 4.295 4.428 -0.133 25927 3712 1 7 . 1 1 11 11 THR C C 11 172.853 172.853 173.885 -1.032 25927 3713 1 7 . 1 1 11 11 THR CA C 11 63.577 63.577 60.913 2.664 25927 3714 1 7 . 1 1 11 11 THR CB C 11 69.325 69.325 71.434 -2.109 25927 3715 1 7 . 1 1 11 11 THR H H 11 9.186 9.186 8.008 1.178 25927 3716 1 7 . 1 1 12 12 ASP N N 12 127.226 127.226 125.412 1.814 25927 3717 1 7 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.770 0.527 25927 3718 1 7 . 1 1 12 12 ASP C C 12 176.060 176.060 175.826 0.234 25927 3719 1 7 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.576 0.203 25927 3720 1 7 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.995 1.049 25927 3721 1 7 . 1 1 12 12 ASP H H 12 8.880 8.880 8.402 0.478 25927 3722 1 7 . 1 1 13 13 HIS N N 13 127.146 127.146 122.000 5.146 25927 3723 1 7 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.492 0.816 25927 3724 1 7 . 1 1 13 13 HIS C C 13 175.365 175.365 173.858 1.507 25927 3725 1 7 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.503 -2.345 25927 3726 1 7 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.802 1.152 25927 3727 1 7 . 1 1 13 13 HIS H H 13 8.867 8.867 7.907 0.960 25927 3728 1 7 . 1 1 14 14 THR N N 14 112.885 112.885 110.111 2.774 25927 3729 1 7 . 1 1 14 14 THR HA H 14 4.522 4.522 4.644 -0.122 25927 3730 1 7 . 1 1 14 14 THR C C 14 174.626 174.626 174.350 0.276 25927 3731 1 7 . 1 1 14 14 THR CA C 14 63.245 63.245 60.654 2.591 25927 3732 1 7 . 1 1 14 14 THR CB C 14 70.178 70.178 70.970 -0.792 25927 3733 1 7 . 1 1 14 14 THR H H 14 8.583 8.583 7.710 0.873 25927 3734 1 7 . 1 1 15 15 VAL N N 15 113.207 113.207 120.083 -6.876 25927 3735 1 7 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.565 0.080 25927 3736 1 7 . 1 1 15 15 VAL C C 15 175.216 175.216 174.470 0.746 25927 3737 1 7 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.276 0.987 25927 3738 1 7 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.788 2.592 25927 3739 1 7 . 1 1 15 15 VAL H H 15 9.104 9.104 8.353 0.751 25927 3740 1 7 . 1 1 16 16 SER N N 16 122.970 122.970 115.036 7.934 25927 3741 1 7 . 1 1 16 16 SER HA H 16 4.196 4.196 4.700 -0.504 25927 3742 1 7 . 1 1 16 16 SER C C 16 174.515 174.515 175.733 -1.218 25927 3743 1 7 . 1 1 16 16 SER CA C 16 57.126 57.126 55.808 1.318 25927 3744 1 7 . 1 1 16 16 SER CB C 16 67.073 67.073 65.359 1.714 25927 3745 1 7 . 1 1 16 16 SER H H 16 9.340 9.340 7.679 1.661 25927 3746 1 7 . 1 1 17 17 SER N N 17 116.643 116.643 122.252 -5.609 25927 3747 1 7 . 1 1 17 17 SER HA H 17 4.157 4.157 4.295 -0.138 25927 3748 1 7 . 1 1 17 17 SER C C 17 176.576 176.576 175.756 0.820 25927 3749 1 7 . 1 1 17 17 SER CA C 17 62.451 62.451 61.561 0.890 25927 3750 1 7 . 1 1 17 17 SER CB C 17 62.539 62.539 63.026 -0.487 25927 3751 1 7 . 1 1 17 17 SER H H 17 8.926 8.926 8.916 0.010 25927 3752 1 7 . 1 1 18 18 ILE N N 18 120.198 120.198 114.654 5.544 25927 3753 1 7 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.358 -0.287 25927 3754 1 7 . 1 1 18 18 ILE C C 18 177.925 177.925 177.608 0.317 25927 3755 1 7 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.626 1.755 25927 3756 1 7 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.222 -0.642 25927 3757 1 7 . 1 1 18 18 ILE H H 18 7.848 7.848 7.551 0.297 25927 3758 1 7 . 1 1 19 19 GLY N N 19 111.905 111.905 108.745 3.160 25927 3759 1 7 . 1 1 19 19 GLY C C 19 176.153 176.153 176.204 -0.051 25927 3760 1 7 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.243 -0.404 25927 3761 1 7 . 1 1 19 19 GLY H H 19 7.921 7.921 8.164 -0.243 25927 3762 1 7 . 1 1 20 20 HIS N N 20 120.808 120.808 121.347 -0.539 25927 3763 1 7 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.542 0.220 25927 3764 1 7 . 1 1 20 20 HIS C C 20 178.606 178.606 177.103 1.503 25927 3765 1 7 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.413 -1.555 25927 3766 1 7 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.195 -2.479 25927 3767 1 7 . 1 1 20 20 HIS H H 20 8.842 8.842 8.551 0.291 25927 3768 1 7 . 1 1 21 21 ASP N N 21 121.572 121.572 119.601 1.971 25927 3769 1 7 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.461 0.073 25927 3770 1 7 . 1 1 21 21 ASP C C 21 179.630 179.630 178.607 1.023 25927 3771 1 7 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.095 0.410 25927 3772 1 7 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.307 -0.542 25927 3773 1 7 . 1 1 21 21 ASP H H 21 8.592 8.592 7.727 0.865 25927 3774 1 7 . 1 1 22 22 PHE N N 22 123.889 123.889 122.618 1.271 25927 3775 1 7 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.111 -0.016 25927 3776 1 7 . 1 1 22 22 PHE C C 22 175.647 175.647 176.692 -1.045 25927 3777 1 7 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.177 0.751 25927 3778 1 7 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.332 -0.185 25927 3779 1 7 . 1 1 22 22 PHE H H 22 8.790 8.790 8.987 -0.197 25927 3780 1 7 . 1 1 23 23 TYR N N 23 119.855 119.855 120.119 -0.264 25927 3781 1 7 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.961 -0.180 25927 3782 1 7 . 1 1 23 23 TYR C C 23 177.585 177.585 177.324 0.261 25927 3783 1 7 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.944 0.029 25927 3784 1 7 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.489 -0.110 25927 3785 1 7 . 1 1 23 23 TYR H H 23 9.008 9.008 7.957 1.051 25927 3786 1 7 . 1 1 24 24 ARG N N 24 120.673 120.673 118.385 2.288 25927 3787 1 7 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.828 -0.110 25927 3788 1 7 . 1 1 24 24 ARG C C 24 177.149 177.149 178.719 -1.570 25927 3789 1 7 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.171 0.189 25927 3790 1 7 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.261 0.173 25927 3791 1 7 . 1 1 24 24 ARG H H 24 8.576 8.576 7.606 0.970 25927 3792 1 7 . 1 1 25 25 ALA N N 25 120.718 120.718 122.749 -2.031 25927 3793 1 7 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.103 0.008 25927 3794 1 7 . 1 1 25 25 ALA C C 25 179.502 179.502 179.128 0.374 25927 3795 1 7 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.796 0.014 25927 3796 1 7 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.587 0.803 25927 3797 1 7 . 1 1 25 25 ALA H H 25 8.080 8.080 8.423 -0.343 25927 3798 1 7 . 1 1 26 26 PHE N N 26 118.193 118.193 119.299 -1.106 25927 3799 1 7 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.864 -0.366 25927 3800 1 7 . 1 1 26 26 PHE C C 26 177.120 177.120 176.822 0.298 25927 3801 1 7 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.564 0.733 25927 3802 1 7 . 1 1 26 26 PHE CB C 26 39.907 39.907 38.987 0.920 25927 3803 1 7 . 1 1 26 26 PHE H H 26 8.467 8.467 8.206 0.261 25927 3804 1 7 . 1 1 27 27 SER N N 27 112.572 112.572 113.904 -1.332 25927 3805 1 7 . 1 1 27 27 SER HA H 27 3.845 3.845 4.235 -0.390 25927 3806 1 7 . 1 1 27 27 SER C C 27 176.828 176.828 176.493 0.335 25927 3807 1 7 . 1 1 27 27 SER CA C 27 61.656 61.656 61.018 0.638 25927 3808 1 7 . 1 1 27 27 SER CB C 27 62.952 62.952 62.864 0.088 25927 3809 1 7 . 1 1 27 27 SER H H 27 8.477 8.477 7.998 0.479 25927 3810 1 7 . 1 1 28 28 ASP N N 28 119.022 119.022 121.515 -2.493 25927 3811 1 7 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.491 -0.067 25927 3812 1 7 . 1 1 28 28 ASP C C 28 177.325 177.325 177.332 -0.007 25927 3813 1 7 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.377 0.280 25927 3814 1 7 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.929 0.345 25927 3815 1 7 . 1 1 28 28 ASP H H 28 8.019 8.019 8.037 -0.018 25927 3816 1 7 . 1 1 29 29 LYS N N 29 115.330 115.330 115.503 -0.173 25927 3817 1 7 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.408 -0.049 25927 3818 1 7 . 1 1 29 29 LYS C C 29 175.910 175.910 176.173 -0.263 25927 3819 1 7 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.037 0.127 25927 3820 1 7 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.335 2.975 25927 3821 1 7 . 1 1 29 29 LYS H H 29 6.910 6.910 7.550 -0.640 25927 3822 1 7 . 1 1 30 30 TRP N N 30 122.847 122.847 123.551 -0.704 25927 3823 1 7 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.099 0.078 25927 3824 1 7 . 1 1 30 30 TRP C C 30 175.188 175.188 175.172 0.016 25927 3825 1 7 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.644 -0.603 25927 3826 1 7 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.424 0.496 25927 3827 1 7 . 1 1 30 30 TRP H H 30 7.638 7.638 7.527 0.111 25927 3828 1 7 . 1 1 31 31 GLU N N 31 128.182 128.182 125.646 2.536 25927 3829 1 7 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.086 0.073 25927 3830 1 7 . 1 1 31 31 GLU C C 31 173.960 173.960 173.575 0.385 25927 3831 1 7 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.115 -0.001 25927 3832 1 7 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.738 -0.655 25927 3833 1 7 . 1 1 31 31 GLU H H 31 7.426 7.426 7.531 -0.105 25927 3834 1 7 . 1 1 32 32 SER N N 32 115.672 115.672 116.017 -0.345 25927 3835 1 7 . 1 1 32 32 SER HA H 32 4.100 4.100 4.610 -0.510 25927 3836 1 7 . 1 1 32 32 SER C C 32 173.864 173.864 173.385 0.479 25927 3837 1 7 . 1 1 32 32 SER CA C 32 57.344 57.344 57.598 -0.254 25927 3838 1 7 . 1 1 32 32 SER CB C 32 64.220 64.220 65.287 -1.067 25927 3839 1 7 . 1 1 32 32 SER H H 32 7.276 7.276 7.932 -0.656 25927 3840 1 7 . 1 1 33 33 ASP N N 33 123.759 123.759 121.522 2.237 25927 3841 1 7 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.653 -0.030 25927 3842 1 7 . 1 1 33 33 ASP C C 33 176.175 176.175 176.639 -0.464 25927 3843 1 7 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.675 -0.546 25927 3844 1 7 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.290 -0.680 25927 3845 1 7 . 1 1 33 33 ASP H H 33 8.429 8.429 8.599 -0.170 25927 3846 1 7 . 1 1 34 34 TYR N N 34 122.283 122.283 118.585 3.698 25927 3847 1 7 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.654 -0.080 25927 3848 1 7 . 1 1 34 34 TYR C C 34 177.025 177.025 176.372 0.653 25927 3849 1 7 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.425 1.392 25927 3850 1 7 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.438 -0.304 25927 3851 1 7 . 1 1 34 34 TYR H H 34 8.649 8.649 7.752 0.897 25927 3852 1 7 . 1 1 35 35 THR N N 35 116.852 116.852 112.929 3.923 25927 3853 1 7 . 1 1 35 35 THR HA H 35 4.311 4.311 4.108 0.203 25927 3854 1 7 . 1 1 35 35 THR C C 35 174.704 174.704 174.329 0.375 25927 3855 1 7 . 1 1 35 35 THR CA C 35 61.364 61.364 62.824 -1.460 25927 3856 1 7 . 1 1 35 35 THR CB C 35 69.454 69.454 68.791 0.663 25927 3857 1 7 . 1 1 35 35 THR H H 35 8.067 8.067 8.487 -0.420 25927 3858 1 7 . 1 1 36 36 GLY N N 36 107.698 107.698 107.470 0.228 25927 3859 1 7 . 1 1 36 36 GLY C C 36 171.455 171.455 174.194 -2.739 25927 3860 1 7 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.077 -0.559 25927 3861 1 7 . 1 1 36 36 GLY H H 36 5.732 5.732 6.558 -0.826 25927 3862 1 7 . 1 1 37 37 ASN N N 37 117.424 117.424 118.957 -1.533 25927 3863 1 7 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.722 0.263 25927 3864 1 7 . 1 1 37 37 ASN C C 37 175.393 175.393 173.687 1.706 25927 3865 1 7 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.307 0.526 25927 3866 1 7 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.246 3.267 25927 3867 1 7 . 1 1 37 37 ASN H H 37 8.346 8.346 8.513 -0.167 25927 3868 1 7 . 1 1 38 38 LEU N N 38 126.809 126.809 118.553 8.256 25927 3869 1 7 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.642 -0.644 25927 3870 1 7 . 1 1 38 38 LEU C C 38 175.770 175.770 175.325 0.445 25927 3871 1 7 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.838 2.176 25927 3872 1 7 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.620 -0.554 25927 3873 1 7 . 1 1 38 38 LEU H H 38 8.469 8.469 7.773 0.696 25927 3874 1 7 . 1 1 39 39 THR N N 39 119.369 119.369 114.143 5.226 25927 3875 1 7 . 1 1 39 39 THR HA H 39 4.799 4.799 4.923 -0.124 25927 3876 1 7 . 1 1 39 39 THR C C 39 172.224 172.224 172.689 -0.465 25927 3877 1 7 . 1 1 39 39 THR CA C 39 61.958 61.958 60.543 1.415 25927 3878 1 7 . 1 1 39 39 THR CB C 39 70.327 70.327 72.118 -1.791 25927 3879 1 7 . 1 1 39 39 THR H H 39 8.849 8.849 8.899 -0.050 25927 3880 1 7 . 1 1 40 40 ILE N N 40 125.490 125.490 123.775 1.715 25927 3881 1 7 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.377 0.143 25927 3882 1 7 . 1 1 40 40 ILE C C 40 173.125 173.125 173.733 -0.608 25927 3883 1 7 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.351 0.830 25927 3884 1 7 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.238 -2.788 25927 3885 1 7 . 1 1 40 40 ILE H H 40 8.562 8.562 7.938 0.624 25927 3886 1 7 . 1 1 41 41 ASN N N 41 124.656 124.656 124.002 0.654 25927 3887 1 7 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.701 -0.801 25927 3888 1 7 . 1 1 41 41 ASN C C 41 173.445 173.445 174.004 -0.559 25927 3889 1 7 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.592 0.487 25927 3890 1 7 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.438 -0.322 25927 3891 1 7 . 1 1 41 41 ASN H H 41 9.173 9.173 8.806 0.367 25927 3892 1 7 . 1 1 42 42 GLU N N 42 120.095 120.095 121.866 -1.771 25927 3893 1 7 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.322 0.063 25927 3894 1 7 . 1 1 42 42 GLU C C 42 173.971 173.971 175.212 -1.241 25927 3895 1 7 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.565 -0.434 25927 3896 1 7 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.627 1.830 25927 3897 1 7 . 1 1 42 42 GLU H H 42 7.741 7.741 8.218 -0.477 25927 3898 1 7 . 1 1 43 43 ARG N N 43 127.178 127.178 121.621 5.557 25927 3899 1 7 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.843 0.190 25927 3900 1 7 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.497 0.198 25927 3901 1 7 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.625 -0.137 25927 3902 1 7 . 1 1 43 43 ARG H H 43 9.039 9.039 8.730 0.309 25927 3903 1 7 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.932 -0.205 25927 3904 1 7 . 1 1 44 44 PRO C C 44 176.335 176.335 176.140 0.195 25927 3905 1 7 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.257 1.085 25927 3906 1 7 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.482 0.192 25927 3907 1 7 . 1 1 45 45 SER N N 45 117.089 117.089 119.880 -2.791 25927 3908 1 7 . 1 1 45 45 SER HA H 45 4.837 4.837 4.722 0.115 25927 3909 1 7 . 1 1 45 45 SER C C 45 174.334 174.334 174.754 -0.420 25927 3910 1 7 . 1 1 45 45 SER CA C 45 56.688 56.688 57.786 -1.098 25927 3911 1 7 . 1 1 45 45 SER CB C 45 64.628 64.628 65.879 -1.251 25927 3912 1 7 . 1 1 45 45 SER H H 45 8.497 8.497 8.953 -0.456 25927 3913 1 7 . 1 1 46 46 ALA N N 46 126.901 126.901 127.570 -0.669 25927 3914 1 7 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.160 0.062 25927 3915 1 7 . 1 1 46 46 ALA C C 46 178.171 178.171 178.584 -0.413 25927 3916 1 7 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.212 -0.124 25927 3917 1 7 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.553 0.039 25927 3918 1 7 . 1 1 46 46 ALA H H 46 8.780 8.780 8.734 0.046 25927 3919 1 7 . 1 1 47 47 ARG N N 47 117.860 117.860 117.322 0.538 25927 3920 1 7 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.152 0.258 25927 3921 1 7 . 1 1 47 47 ARG C C 47 175.674 175.674 176.486 -0.812 25927 3922 1 7 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.076 -1.824 25927 3923 1 7 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.593 0.993 25927 3924 1 7 . 1 1 47 47 ARG H H 47 8.381 8.381 8.059 0.322 25927 3925 1 7 . 1 1 48 48 ALA N N 48 121.099 121.099 117.486 3.613 25927 3926 1 7 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.612 -0.193 25927 3927 1 7 . 1 1 48 48 ALA C C 48 176.874 176.874 175.979 0.895 25927 3928 1 7 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.278 0.990 25927 3929 1 7 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.504 -1.723 25927 3930 1 7 . 1 1 48 48 ALA H H 48 8.012 8.012 7.941 0.071 25927 3931 1 7 . 1 1 49 49 GLY N N 49 106.126 106.126 107.334 -1.208 25927 3932 1 7 . 1 1 49 49 GLY C C 49 172.803 172.803 172.040 0.763 25927 3933 1 7 . 1 1 49 49 GLY CA C 49 44.490 44.490 46.051 -1.561 25927 3934 1 7 . 1 1 49 49 GLY H H 49 7.946 7.946 8.556 -0.610 25927 3935 1 7 . 1 1 50 50 SER N N 50 113.972 113.972 116.113 -2.141 25927 3936 1 7 . 1 1 50 50 SER HA H 50 4.736 4.736 5.112 -0.376 25927 3937 1 7 . 1 1 50 50 SER C C 50 171.367 171.367 172.526 -1.159 25927 3938 1 7 . 1 1 50 50 SER CA C 50 57.165 57.165 56.231 0.934 25927 3939 1 7 . 1 1 50 50 SER CB C 50 66.797 66.797 66.222 0.575 25927 3940 1 7 . 1 1 50 50 SER H H 50 7.631 7.631 8.093 -0.462 25927 3941 1 7 . 1 1 51 51 TRP N N 51 121.787 121.787 123.488 -1.701 25927 3942 1 7 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.191 0.665 25927 3943 1 7 . 1 1 51 51 TRP C C 51 176.055 176.055 175.831 0.224 25927 3944 1 7 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.309 -0.517 25927 3945 1 7 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.484 0.050 25927 3946 1 7 . 1 1 51 51 TRP H H 51 8.588 8.588 8.502 0.086 25927 3947 1 7 . 1 1 52 52 ILE N N 52 126.898 126.898 124.820 2.078 25927 3948 1 7 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.810 0.261 25927 3949 1 7 . 1 1 52 52 ILE C C 52 175.754 175.754 175.132 0.622 25927 3950 1 7 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.539 -1.806 25927 3951 1 7 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.227 0.128 25927 3952 1 7 . 1 1 52 52 ILE H H 52 8.963 8.963 9.077 -0.114 25927 3953 1 7 . 1 1 53 53 THR N N 53 116.271 116.271 123.681 -7.410 25927 3954 1 7 . 1 1 53 53 THR HA H 53 5.095 5.095 4.782 0.313 25927 3955 1 7 . 1 1 53 53 THR C C 53 173.382 173.382 172.843 0.539 25927 3956 1 7 . 1 1 53 53 THR CA C 53 59.290 59.290 61.771 -2.481 25927 3957 1 7 . 1 1 53 53 THR CB C 53 71.819 71.819 70.878 0.941 25927 3958 1 7 . 1 1 53 53 THR H H 53 8.371 8.371 9.142 -0.771 25927 3959 1 7 . 1 1 54 54 ILE N N 54 124.947 124.947 129.697 -4.750 25927 3960 1 7 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.085 0.098 25927 3961 1 7 . 1 1 54 54 ILE C C 54 175.952 175.952 173.892 2.060 25927 3962 1 7 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.345 2.249 25927 3963 1 7 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.833 -2.216 25927 3964 1 7 . 1 1 54 54 ILE H H 54 9.056 9.056 9.034 0.022 25927 3965 1 7 . 1 1 55 55 THR N N 55 118.298 118.298 123.090 -4.792 25927 3966 1 7 . 1 1 55 55 THR HA H 55 5.458 5.458 5.118 0.340 25927 3967 1 7 . 1 1 55 55 THR C C 55 173.980 173.980 173.563 0.417 25927 3968 1 7 . 1 1 55 55 THR CA C 55 58.717 58.717 59.777 -1.060 25927 3969 1 7 . 1 1 55 55 THR CB C 55 71.839 71.839 71.064 0.775 25927 3970 1 7 . 1 1 55 55 THR H H 55 9.250 9.250 8.905 0.345 25927 3971 1 7 . 1 1 56 56 VAL N N 56 120.047 120.047 125.993 -5.946 25927 3972 1 7 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.707 -0.287 25927 3973 1 7 . 1 1 56 56 VAL C C 56 176.226 176.226 176.523 -0.297 25927 3974 1 7 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.703 -0.662 25927 3975 1 7 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.972 1.789 25927 3976 1 7 . 1 1 56 56 VAL H H 56 8.435 8.435 8.815 -0.379 25927 3977 1 7 . 1 1 57 57 ASN N N 57 125.479 125.479 126.840 -1.361 25927 3978 1 7 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.266 -0.071 25927 3979 1 7 . 1 1 57 57 ASN C C 57 175.026 175.026 175.561 -0.535 25927 3980 1 7 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.569 -0.873 25927 3981 1 7 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.346 -0.347 25927 3982 1 7 . 1 1 57 57 ASN H H 57 9.199 9.199 9.364 -0.165 25927 3983 1 7 . 1 1 58 58 GLN N N 58 116.897 116.897 116.274 0.623 25927 3984 1 7 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.486 -0.300 25927 3985 1 7 . 1 1 58 58 GLN C C 58 175.237 175.237 174.775 0.462 25927 3986 1 7 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.498 1.341 25927 3987 1 7 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.081 -2.498 25927 3988 1 7 . 1 1 58 58 GLN H H 58 8.576 8.576 8.256 0.320 25927 3989 1 7 . 1 1 59 59 ASP N N 59 122.465 122.465 122.801 -0.336 25927 3990 1 7 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.897 -0.181 25927 3991 1 7 . 1 1 59 59 ASP C C 59 175.302 175.302 174.487 0.815 25927 3992 1 7 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.725 0.408 25927 3993 1 7 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.154 -2.700 25927 3994 1 7 . 1 1 59 59 ASP H H 59 8.343 8.343 8.242 0.101 25927 3995 1 7 . 1 1 60 60 VAL N N 60 124.577 124.577 123.440 1.137 25927 3996 1 7 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.140 -0.263 25927 3997 1 7 . 1 1 60 60 VAL C C 60 176.802 176.802 175.625 1.177 25927 3998 1 7 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.945 0.836 25927 3999 1 7 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.735 -1.001 25927 4000 1 7 . 1 1 60 60 VAL H H 60 8.754 8.754 8.721 0.033 25927 4001 1 7 . 1 1 61 61 ILE N N 61 123.852 123.852 124.315 -0.463 25927 4002 1 7 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.566 -0.047 25927 4003 1 7 . 1 1 61 61 ILE C C 61 175.073 175.073 175.101 -0.028 25927 4004 1 7 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.161 -0.562 25927 4005 1 7 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.182 -1.212 25927 4006 1 7 . 1 1 61 61 ILE H H 61 8.984 8.984 8.069 0.915 25927 4007 1 7 . 1 1 62 62 PHE N N 62 119.927 119.927 120.814 -0.887 25927 4008 1 7 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.857 -0.211 25927 4009 1 7 . 1 1 62 62 PHE C C 62 171.958 171.958 172.803 -0.845 25927 4010 1 7 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.427 0.944 25927 4011 1 7 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.701 0.109 25927 4012 1 7 . 1 1 62 62 PHE H H 62 7.557 7.557 7.598 -0.041 25927 4013 1 7 . 1 1 63 63 GLN N N 63 125.524 125.524 122.664 2.860 25927 4014 1 7 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.804 0.305 25927 4015 1 7 . 1 1 63 63 GLN C C 63 172.837 172.837 173.540 -0.703 25927 4016 1 7 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.883 -0.121 25927 4017 1 7 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.777 -0.097 25927 4018 1 7 . 1 1 63 63 GLN H H 63 7.389 7.389 7.693 -0.304 25927 4019 1 7 . 1 1 64 64 THR N N 64 115.981 115.981 114.883 1.098 25927 4020 1 7 . 1 1 64 64 THR HA H 64 4.428 4.428 4.508 -0.080 25927 4021 1 7 . 1 1 64 64 THR C C 64 169.980 169.980 172.108 -2.128 25927 4022 1 7 . 1 1 64 64 THR CA C 64 60.555 60.555 61.022 -0.466 25927 4023 1 7 . 1 1 64 64 THR CB C 64 69.083 69.083 71.787 -2.704 25927 4024 1 7 . 1 1 64 64 THR H H 64 8.588 8.588 8.723 -0.135 25927 4025 1 7 . 1 1 65 65 PHE N N 65 125.997 125.997 123.652 2.345 25927 4026 1 7 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.524 -0.110 25927 4027 1 7 . 1 1 65 65 PHE C C 65 173.940 173.940 173.821 0.119 25927 4028 1 7 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.353 -0.103 25927 4029 1 7 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.318 0.395 25927 4030 1 7 . 1 1 65 65 PHE H H 65 8.054 8.054 8.297 -0.243 25927 4031 1 7 . 1 1 66 66 LEU N N 66 127.935 127.935 124.019 3.916 25927 4032 1 7 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.543 -0.091 25927 4033 1 7 . 1 1 66 66 LEU C C 66 174.502 174.502 174.976 -0.474 25927 4034 1 7 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.633 -1.024 25927 4035 1 7 . 1 1 66 66 LEU H H 66 8.383 8.383 8.419 -0.036 25927 4036 1 7 . 1 1 67 67 PHE N N 67 123.162 123.162 119.751 3.411 25927 4037 1 7 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.468 -0.844 25927 4038 1 7 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.591 -1.464 25927 4039 1 7 . 1 1 67 67 PHE H H 67 8.285 8.285 9.089 -0.804 25927 4040 1 7 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.493 -0.046 25927 4041 1 7 . 1 1 68 68 PRO C C 68 175.918 175.918 177.213 -1.295 25927 4042 1 7 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.062 -2.439 25927 4043 1 7 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.341 -0.120 25927 4044 1 7 . 1 1 69 69 LEU N N 69 121.360 121.360 119.001 2.359 25927 4045 1 7 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.412 -0.218 25927 4046 1 7 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.458 -0.207 25927 4047 1 7 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.208 -1.531 25927 4048 1 7 . 1 1 69 69 LEU H H 69 8.300 8.300 8.257 0.043 25927 4049 1 7 . 1 1 70 70 LYS N N 70 123.012 123.012 118.484 4.528 25927 4050 1 7 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.985 -0.285 25927 4051 1 7 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.348 -3.628 25927 4052 1 7 . 1 1 70 70 LYS H H 70 8.156 8.156 7.766 0.390 25927 4053 1 7 . 1 1 71 71 ARG N N 71 125.250 125.250 123.338 1.912 25927 4054 1 7 . 1 1 71 71 ARG C C 71 179.581 179.581 176.550 3.031 25927 4055 1 7 . 1 1 71 71 ARG CA C 71 57.218 57.218 57.266 -0.048 25927 4056 1 7 . 1 1 71 71 ARG H H 71 8.279 8.279 8.838 -0.559 25927 4057 1 7 . 1 1 72 72 ASP N N 72 119.355 119.355 119.448 -0.093 25927 4058 1 7 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.595 0.151 25927 4059 1 7 . 1 1 72 72 ASP C C 72 177.124 177.124 176.712 0.412 25927 4060 1 7 . 1 1 72 72 ASP CA C 72 55.673 55.673 54.091 1.582 25927 4061 1 7 . 1 1 72 72 ASP CB C 72 40.047 40.047 39.982 0.065 25927 4062 1 7 . 1 1 72 72 ASP H H 72 8.182 8.182 8.135 0.047 25927 4063 1 7 . 1 1 73 73 PHE N N 73 122.846 122.846 121.716 1.130 25927 4064 1 7 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.123 0.007 25927 4065 1 7 . 1 1 73 73 PHE C C 73 176.729 176.729 176.700 0.029 25927 4066 1 7 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.180 0.842 25927 4067 1 7 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.417 0.787 25927 4068 1 7 . 1 1 73 73 PHE H H 73 8.197 8.197 7.969 0.228 25927 4069 1 7 . 1 1 74 74 GLU N N 74 118.652 118.652 118.723 -0.071 25927 4070 1 7 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.905 -0.061 25927 4071 1 7 . 1 1 74 74 GLU C C 74 179.310 179.310 178.689 0.621 25927 4072 1 7 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.736 0.915 25927 4073 1 7 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.421 -0.772 25927 4074 1 7 . 1 1 74 74 GLU H H 74 9.098 9.098 8.939 0.159 25927 4075 1 7 . 1 1 75 75 LYS N N 75 117.836 117.836 119.251 -1.415 25927 4076 1 7 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.110 -0.031 25927 4077 1 7 . 1 1 75 75 LYS C C 75 179.312 179.312 179.317 -0.005 25927 4078 1 7 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.359 -0.079 25927 4079 1 7 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.200 0.143 25927 4080 1 7 . 1 1 75 75 LYS H H 75 8.078 8.078 7.651 0.427 25927 4081 1 7 . 1 1 76 76 THR N N 76 118.581 118.581 117.813 0.768 25927 4082 1 7 . 1 1 76 76 THR HA H 76 4.168 4.168 4.125 0.043 25927 4083 1 7 . 1 1 76 76 THR C C 76 175.873 175.873 176.775 -0.902 25927 4084 1 7 . 1 1 76 76 THR CA C 76 67.009 67.009 67.007 0.002 25927 4085 1 7 . 1 1 76 76 THR CB C 76 68.404 68.404 68.543 -0.139 25927 4086 1 7 . 1 1 76 76 THR H H 76 8.031 8.031 8.415 -0.384 25927 4087 1 7 . 1 1 77 77 VAL N N 77 122.994 122.994 121.578 1.416 25927 4088 1 7 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.541 -0.149 25927 4089 1 7 . 1 1 77 77 VAL C C 77 177.137 177.137 177.605 -0.468 25927 4090 1 7 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.888 0.567 25927 4091 1 7 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.256 0.317 25927 4092 1 7 . 1 1 77 77 VAL H H 77 7.999 7.999 8.114 -0.115 25927 4093 1 7 . 1 1 78 78 VAL N N 78 117.994 117.994 118.899 -0.905 25927 4094 1 7 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.501 0.047 25927 4095 1 7 . 1 1 78 78 VAL C C 78 177.830 177.830 177.543 0.287 25927 4096 1 7 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.397 0.877 25927 4097 1 7 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.295 0.448 25927 4098 1 7 . 1 1 78 78 VAL H H 78 7.745 7.745 7.940 -0.195 25927 4099 1 7 . 1 1 79 79 ALA N N 79 120.460 120.460 121.246 -0.786 25927 4100 1 7 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.078 0.102 25927 4101 1 7 . 1 1 79 79 ALA C C 79 176.512 176.512 179.155 -2.643 25927 4102 1 7 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.913 0.188 25927 4103 1 7 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.114 0.056 25927 4104 1 7 . 1 1 79 79 ALA H H 79 7.844 7.844 8.467 -0.623 25927 4105 1 7 . 1 1 80 80 ALA N N 80 119.351 119.351 120.583 -1.232 25927 4106 1 7 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.770 -0.774 25927 4107 1 7 . 1 1 80 80 ALA C C 80 180.805 180.805 179.437 1.368 25927 4108 1 7 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.911 -0.254 25927 4109 1 7 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.506 0.852 25927 4110 1 7 . 1 1 80 80 ALA H H 80 8.178 8.178 8.111 0.067 25927 4111 1 7 . 1 1 81 81 LEU N N 81 123.041 123.041 119.483 3.558 25927 4112 1 7 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.024 -0.160 25927 4113 1 7 . 1 1 81 81 LEU C C 81 179.526 179.526 179.062 0.464 25927 4114 1 7 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.756 1.129 25927 4115 1 7 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.609 0.942 25927 4116 1 7 . 1 1 81 81 LEU H H 81 8.469 8.469 7.280 1.189 25927 4117 1 7 . 1 1 82 82 ILE N N 82 119.350 119.350 118.736 0.614 25927 4118 1 7 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.638 0.189 25927 4119 1 7 . 1 1 82 82 ILE C C 82 179.375 179.375 178.146 1.229 25927 4120 1 7 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.337 -0.758 25927 4121 1 7 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.642 0.972 25927 4122 1 7 . 1 1 82 82 ILE H H 82 7.988 7.988 7.317 0.671 25927 4123 1 7 . 1 1 83 83 GLN N N 83 118.033 118.033 118.346 -0.313 25927 4124 1 7 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.915 0.278 25927 4125 1 7 . 1 1 83 83 GLN C C 83 179.932 179.932 178.616 1.316 25927 4126 1 7 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.763 0.400 25927 4127 1 7 . 1 1 83 83 GLN CB C 83 28.694 28.694 27.982 0.712 25927 4128 1 7 . 1 1 83 83 GLN H H 83 8.665 8.665 8.202 0.463 25927 4129 1 7 . 1 1 84 84 THR N N 84 118.583 118.583 115.153 3.430 25927 4130 1 7 . 1 1 84 84 THR HA H 84 3.813 3.813 4.051 -0.238 25927 4131 1 7 . 1 1 84 84 THR C C 84 175.824 175.824 176.222 -0.398 25927 4132 1 7 . 1 1 84 84 THR CA C 84 68.515 68.515 67.569 0.946 25927 4133 1 7 . 1 1 84 84 THR CB C 84 67.514 67.514 68.816 -1.302 25927 4134 1 7 . 1 1 84 84 THR H H 84 8.355 8.355 8.169 0.186 25927 4135 1 7 . 1 1 85 85 GLU N N 85 121.547 121.547 120.555 0.992 25927 4136 1 7 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.089 0.084 25927 4137 1 7 . 1 1 85 85 GLU C C 85 178.637 178.637 178.485 0.152 25927 4138 1 7 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.132 1.244 25927 4139 1 7 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.850 0.362 25927 4140 1 7 . 1 1 85 85 GLU H H 85 7.846 7.846 7.833 0.013 25927 4141 1 7 . 1 1 86 86 GLU N N 86 118.203 118.203 119.534 -1.331 25927 4142 1 7 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.017 0.087 25927 4143 1 7 . 1 1 86 86 GLU C C 86 179.080 179.080 178.841 0.239 25927 4144 1 7 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.147 0.537 25927 4145 1 7 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.127 0.432 25927 4146 1 7 . 1 1 86 86 GLU H H 86 8.154 8.154 8.535 -0.381 25927 4147 1 7 . 1 1 87 87 ALA N N 87 121.242 121.242 121.148 0.094 25927 4148 1 7 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.158 0.018 25927 4149 1 7 . 1 1 87 87 ALA C C 87 181.299 181.299 179.307 1.992 25927 4150 1 7 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.725 0.491 25927 4151 1 7 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.654 0.579 25927 4152 1 7 . 1 1 87 87 ALA H H 87 8.181 8.181 7.468 0.713 25927 4153 1 7 . 1 1 88 88 LEU N N 88 119.086 119.086 117.723 1.363 25927 4154 1 7 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.111 -0.114 25927 4155 1 7 . 1 1 88 88 LEU C C 88 179.526 179.526 178.212 1.314 25927 4156 1 7 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.039 1.509 25927 4157 1 7 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.487 -0.243 25927 4158 1 7 . 1 1 88 88 LEU H H 88 8.379 8.379 7.444 0.935 25927 4159 1 7 . 1 1 89 89 ASN N N 89 119.429 119.429 118.357 1.072 25927 4160 1 7 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.447 0.120 25927 4161 1 7 . 1 1 89 89 ASN C C 89 177.117 177.117 176.849 0.268 25927 4162 1 7 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.979 -0.975 25927 4163 1 7 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.488 -0.139 25927 4164 1 7 . 1 1 89 89 ASN H H 89 8.271 8.271 8.675 -0.404 25927 4165 1 7 . 1 1 90 90 ARG N N 90 118.735 118.735 117.429 1.306 25927 4166 1 7 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.362 -0.209 25927 4167 1 7 . 1 1 90 90 ARG C C 90 177.836 177.836 177.152 0.684 25927 4168 1 7 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.841 1.733 25927 4169 1 7 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.475 -0.245 25927 4170 1 7 . 1 1 90 90 ARG H H 90 8.010 8.010 7.907 0.103 25927 4171 1 7 . 1 1 91 91 ARG N N 91 118.976 118.976 118.748 0.228 25927 4172 1 7 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.233 -0.024 25927 4173 1 7 . 1 1 91 91 ARG C C 91 177.455 177.455 177.883 -0.428 25927 4174 1 7 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.604 -0.578 25927 4175 1 7 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.210 -0.423 25927 4176 1 7 . 1 1 91 91 ARG H H 91 7.833 7.833 7.667 0.166 25927 4177 1 7 . 1 1 92 92 GLN N N 92 118.834 118.834 115.291 3.543 25927 4178 1 7 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.506 -0.249 25927 4179 1 7 . 1 1 92 92 GLN C C 92 177.362 177.362 177.599 -0.237 25927 4180 1 7 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.825 0.663 25927 4181 1 7 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.638 -1.506 25927 4182 1 7 . 1 1 92 92 GLN H H 92 7.988 7.988 8.171 -0.183 25927 4183 1 7 . 1 1 93 93 ILE N N 93 120.499 120.499 121.395 -0.896 25927 4184 1 7 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.800 0.216 25927 4185 1 7 . 1 1 93 93 ILE C C 93 177.002 177.002 177.127 -0.125 25927 4186 1 7 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.819 -1.958 25927 4187 1 7 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.489 1.079 25927 4188 1 7 . 1 1 93 93 ILE H H 93 7.976 7.976 7.755 0.221 25927 4189 1 7 . 1 1 94 94 ASN N N 94 120.172 120.172 119.217 0.955 25927 4190 1 7 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.316 0.323 25927 4191 1 7 . 1 1 94 94 ASN C C 94 176.336 176.336 177.716 -1.380 25927 4192 1 7 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.169 -2.852 25927 4193 1 7 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.434 0.166 25927 4194 1 7 . 1 1 94 94 ASN H H 94 8.272 8.272 8.109 0.163 25927 4195 1 7 . 1 1 95 95 GLN N N 95 120.288 120.288 118.897 1.391 25927 4196 1 7 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.119 0.061 25927 4197 1 7 . 1 1 95 95 GLN C C 95 176.701 176.701 177.993 -1.292 25927 4198 1 7 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.613 -1.434 25927 4199 1 7 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.672 0.324 25927 4200 1 7 . 1 1 95 95 GLN H H 95 8.303 8.303 7.648 0.655 25927 4201 1 7 . 1 1 96 96 ALA N N 96 123.219 123.219 122.933 0.286 25927 4202 1 7 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.128 0.133 25927 4203 1 7 . 1 1 96 96 ALA C C 96 178.429 178.429 179.749 -1.320 25927 4204 1 7 . 1 1 96 96 ALA CA C 96 53.432 53.432 55.029 -1.597 25927 4205 1 7 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.509 0.265 25927 4206 1 7 . 1 1 96 96 ALA H H 96 8.112 8.112 7.568 0.544 25927 4207 1 7 . 1 1 97 97 LEU N N 97 119.452 119.452 117.179 2.273 25927 4208 1 7 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.420 -0.119 25927 4209 1 7 . 1 1 97 97 LEU C C 97 177.834 177.834 178.827 -0.993 25927 4210 1 7 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.639 -1.893 25927 4211 1 7 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.746 0.544 25927 4212 1 7 . 1 1 97 97 LEU H H 97 7.932 7.932 8.200 -0.268 25927 4213 1 7 . 1 1 98 98 LEU N N 98 121.124 121.124 119.988 1.136 25927 4214 1 7 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.326 0.051 25927 4215 1 7 . 1 1 98 98 LEU C C 98 177.729 177.729 178.732 -1.003 25927 4216 1 7 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.092 -1.666 25927 4217 1 7 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.155 0.251 25927 4218 1 7 . 1 1 98 98 LEU H H 98 7.947 7.947 7.953 -0.006 25927 4219 1 7 . 1 1 99 99 SER N N 99 115.913 115.913 113.118 2.795 25927 4220 1 7 . 1 1 99 99 SER HA H 99 4.525 4.525 4.299 0.226 25927 4221 1 7 . 1 1 99 99 SER C C 99 174.980 174.980 174.840 0.140 25927 4222 1 7 . 1 1 99 99 SER CA C 99 58.478 58.478 60.469 -1.991 25927 4223 1 7 . 1 1 99 99 SER CB C 99 63.839 63.839 63.634 0.205 25927 4224 1 7 . 1 1 99 99 SER H H 99 8.238 8.238 8.129 0.109 25927 4225 1 7 . 1 1 100 100 THR N N 100 114.610 114.610 113.639 0.971 25927 4226 1 7 . 1 1 100 100 THR HA H 100 4.361 4.361 4.458 -0.097 25927 4227 1 7 . 1 1 100 100 THR C C 100 175.368 175.368 173.215 2.153 25927 4228 1 7 . 1 1 100 100 THR CA C 100 62.195 62.195 62.693 -0.498 25927 4229 1 7 . 1 1 100 100 THR CB C 100 69.794 69.794 69.445 0.349 25927 4230 1 7 . 1 1 100 100 THR H H 100 8.140 8.140 7.383 0.757 25927 4231 1 7 . 1 1 101 101 GLY N N 101 110.650 110.650 117.170 -6.520 25927 4232 1 7 . 1 1 101 101 GLY C C 101 173.935 173.935 173.925 0.010 25927 4233 1 7 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.662 0.831 25927 4234 1 7 . 1 1 101 101 GLY H H 101 8.353 8.353 8.487 -0.134 25927 4235 1 7 . 1 1 102 102 ASP N N 102 120.512 120.512 119.713 0.799 25927 4236 1 7 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.600 0.003 25927 4237 1 7 . 1 1 102 102 ASP C C 102 176.419 176.419 177.315 -0.896 25927 4238 1 7 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.257 0.034 25927 4239 1 7 . 1 1 102 102 ASP CB C 102 41.277 41.277 42.004 -0.727 25927 4240 1 7 . 1 1 102 102 ASP H H 102 8.204 8.204 7.935 0.269 25927 4241 1 7 . 1 1 103 103 LEU N N 103 122.331 122.331 119.385 2.946 25927 4242 1 7 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.389 -0.131 25927 4243 1 7 . 1 1 103 103 LEU C C 103 177.394 177.394 175.654 1.740 25927 4244 1 7 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.613 -0.085 25927 4245 1 7 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.768 -0.540 25927 4246 1 7 . 1 1 103 103 LEU H H 103 8.170 8.170 8.116 0.054 25927 4247 1 7 . 1 1 104 104 ALA N N 104 123.139 123.139 121.777 1.362 25927 4248 1 7 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.456 -0.256 25927 4249 1 7 . 1 1 104 104 ALA C C 104 177.730 177.730 176.172 1.558 25927 4250 1 7 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.047 0.727 25927 4251 1 7 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.333 -0.328 25927 4252 1 7 . 1 1 104 104 ALA H H 104 8.150 8.150 8.674 -0.524 25927 4253 1 7 . 1 1 105 105 HIS N N 105 117.105 117.105 118.218 -1.113 25927 4254 1 7 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.564 0.077 25927 4255 1 7 . 1 1 105 105 HIS C C 105 174.414 174.414 175.223 -0.809 25927 4256 1 7 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.127 -1.607 25927 4257 1 7 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.444 -1.166 25927 4258 1 7 . 1 1 105 105 HIS H H 105 8.239 8.239 7.980 0.259 25927 4259 1 7 . 1 1 106 106 ASP N N 106 121.315 121.315 121.406 -0.091 25927 4260 1 7 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.410 0.193 25927 4261 1 7 . 1 1 106 106 ASP C C 106 176.370 176.370 176.308 0.062 25927 4262 1 7 . 1 1 106 106 ASP CA C 106 54.319 54.319 53.552 0.767 25927 4263 1 7 . 1 1 106 106 ASP CB C 106 41.414 41.414 39.270 2.144 25927 4264 1 7 . 1 1 106 106 ASP H H 106 8.298 8.298 8.831 -0.533 25927 4265 1 7 . 1 1 107 107 GLU N N 107 121.228 121.228 119.428 1.800 25927 4266 1 7 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.246 -0.138 25927 4267 1 7 . 1 1 107 107 GLU C C 107 176.248 176.248 176.555 -0.307 25927 4268 1 7 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.625 -0.433 25927 4269 1 7 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.409 -0.314 25927 4270 1 7 . 1 1 107 107 GLU H H 107 8.536 8.536 7.978 0.558 25927 4271 1 8 . 1 1 2 2 VAL N N 2 119.413 119.413 120.758 -1.345 25927 4272 1 8 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.675 -0.543 25927 4273 1 8 . 1 1 2 2 VAL C C 2 175.957 175.957 174.260 1.697 25927 4274 1 8 . 1 1 2 2 VAL CA C 2 62.517 62.517 62.207 0.310 25927 4275 1 8 . 1 1 2 2 VAL CB C 2 32.676 32.676 34.184 -1.508 25927 4276 1 8 . 1 1 2 2 VAL H H 2 8.453 8.453 8.904 -0.451 25927 4277 1 8 . 1 1 3 3 GLU N N 3 125.255 125.255 126.123 -0.868 25927 4278 1 8 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.687 -0.339 25927 4279 1 8 . 1 1 3 3 GLU C C 3 176.154 176.154 174.690 1.464 25927 4280 1 8 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.640 0.829 25927 4281 1 8 . 1 1 3 3 GLU CB C 3 30.382 30.382 32.157 -1.775 25927 4282 1 8 . 1 1 3 3 GLU H H 3 8.587 8.587 8.265 0.322 25927 4283 1 8 . 1 1 4 4 VAL N N 4 121.132 121.132 120.867 0.265 25927 4284 1 8 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.196 -0.075 25927 4285 1 8 . 1 1 4 4 VAL C C 4 175.762 175.762 176.009 -0.247 25927 4286 1 8 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.655 0.373 25927 4287 1 8 . 1 1 4 4 VAL CB C 4 33.056 33.056 35.099 -2.043 25927 4288 1 8 . 1 1 4 4 VAL H H 4 8.172 8.172 8.414 -0.242 25927 4289 1 8 . 1 1 5 5 GLU N N 5 125.223 125.223 125.881 -0.658 25927 4290 1 8 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.142 0.182 25927 4291 1 8 . 1 1 5 5 GLU C C 5 176.006 176.006 175.878 0.128 25927 4292 1 8 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.712 -0.322 25927 4293 1 8 . 1 1 5 5 GLU CB C 5 30.419 30.419 27.602 2.817 25927 4294 1 8 . 1 1 5 5 GLU H H 5 8.472 8.472 8.823 -0.351 25927 4295 1 8 . 1 1 6 6 VAL N N 6 123.435 123.435 121.391 2.044 25927 4296 1 8 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.931 0.505 25927 4297 1 8 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.939 -5.193 25927 4298 1 8 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.505 2.233 25927 4299 1 8 . 1 1 6 6 VAL H H 6 8.288 8.288 8.183 0.105 25927 4300 1 8 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.591 -0.155 25927 4301 1 8 . 1 1 7 7 PRO C C 7 177.461 177.461 176.465 0.996 25927 4302 1 8 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.345 1.000 25927 4303 1 8 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.787 -0.483 25927 4304 1 8 . 1 1 8 8 GLY N N 8 108.925 108.925 106.425 2.500 25927 4305 1 8 . 1 1 8 8 GLY C C 8 173.995 173.995 173.291 0.704 25927 4306 1 8 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.884 0.542 25927 4307 1 8 . 1 1 8 8 GLY H H 8 8.334 8.334 8.212 0.122 25927 4308 1 8 . 1 1 9 9 LEU N N 9 121.559 121.559 121.032 0.527 25927 4309 1 8 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.750 -0.291 25927 4310 1 8 . 1 1 9 9 LEU C C 9 176.870 176.870 175.760 1.110 25927 4311 1 8 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.405 1.216 25927 4312 1 8 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.191 0.856 25927 4313 1 8 . 1 1 9 9 LEU H H 9 8.150 8.150 8.502 -0.352 25927 4314 1 8 . 1 1 10 10 LEU N N 10 122.690 122.690 123.668 -0.978 25927 4315 1 8 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.453 0.708 25927 4316 1 8 . 1 1 10 10 LEU C C 10 177.427 177.427 177.028 0.399 25927 4317 1 8 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.468 -1.606 25927 4318 1 8 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.260 2.388 25927 4319 1 8 . 1 1 10 10 LEU H H 10 8.348 8.348 7.951 0.397 25927 4320 1 8 . 1 1 11 11 THR N N 11 124.118 124.118 121.116 3.002 25927 4321 1 8 . 1 1 11 11 THR HA H 11 4.295 4.295 4.436 -0.141 25927 4322 1 8 . 1 1 11 11 THR C C 11 172.853 172.853 173.919 -1.066 25927 4323 1 8 . 1 1 11 11 THR CA C 11 63.577 63.577 61.253 2.324 25927 4324 1 8 . 1 1 11 11 THR CB C 11 69.325 69.325 70.749 -1.424 25927 4325 1 8 . 1 1 11 11 THR H H 11 9.186 9.186 8.221 0.965 25927 4326 1 8 . 1 1 12 12 ASP N N 12 127.226 127.226 125.731 1.495 25927 4327 1 8 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.819 0.478 25927 4328 1 8 . 1 1 12 12 ASP C C 12 176.060 176.060 175.855 0.205 25927 4329 1 8 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.538 0.241 25927 4330 1 8 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.944 1.101 25927 4331 1 8 . 1 1 12 12 ASP H H 12 8.880 8.880 8.414 0.466 25927 4332 1 8 . 1 1 13 13 HIS N N 13 127.146 127.146 121.935 5.211 25927 4333 1 8 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.494 0.814 25927 4334 1 8 . 1 1 13 13 HIS C C 13 175.365 175.365 173.860 1.505 25927 4335 1 8 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.464 -2.306 25927 4336 1 8 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.779 1.175 25927 4337 1 8 . 1 1 13 13 HIS H H 13 8.867 8.867 7.915 0.952 25927 4338 1 8 . 1 1 14 14 THR N N 14 112.885 112.885 110.182 2.703 25927 4339 1 8 . 1 1 14 14 THR HA H 14 4.522 4.522 4.647 -0.125 25927 4340 1 8 . 1 1 14 14 THR C C 14 174.626 174.626 174.329 0.297 25927 4341 1 8 . 1 1 14 14 THR CA C 14 63.245 63.245 60.658 2.587 25927 4342 1 8 . 1 1 14 14 THR CB C 14 70.178 70.178 70.954 -0.776 25927 4343 1 8 . 1 1 14 14 THR H H 14 8.583 8.583 7.737 0.846 25927 4344 1 8 . 1 1 15 15 VAL N N 15 113.207 113.207 119.852 -6.645 25927 4345 1 8 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.537 0.108 25927 4346 1 8 . 1 1 15 15 VAL C C 15 175.216 175.216 174.578 0.638 25927 4347 1 8 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.485 0.778 25927 4348 1 8 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.554 2.826 25927 4349 1 8 . 1 1 15 15 VAL H H 15 9.104 9.104 8.631 0.473 25927 4350 1 8 . 1 1 16 16 SER N N 16 122.970 122.970 115.863 7.107 25927 4351 1 8 . 1 1 16 16 SER HA H 16 4.196 4.196 4.760 -0.564 25927 4352 1 8 . 1 1 16 16 SER C C 16 174.515 174.515 175.824 -1.309 25927 4353 1 8 . 1 1 16 16 SER CA C 16 57.126 57.126 55.831 1.295 25927 4354 1 8 . 1 1 16 16 SER CB C 16 67.073 67.073 65.352 1.721 25927 4355 1 8 . 1 1 16 16 SER H H 16 9.340 9.340 7.517 1.823 25927 4356 1 8 . 1 1 17 17 SER N N 17 116.643 116.643 122.286 -5.643 25927 4357 1 8 . 1 1 17 17 SER HA H 17 4.157 4.157 4.327 -0.170 25927 4358 1 8 . 1 1 17 17 SER C C 17 176.576 176.576 175.756 0.820 25927 4359 1 8 . 1 1 17 17 SER CA C 17 62.451 62.451 61.034 1.417 25927 4360 1 8 . 1 1 17 17 SER CB C 17 62.539 62.539 62.967 -0.428 25927 4361 1 8 . 1 1 17 17 SER H H 17 8.926 8.926 8.850 0.076 25927 4362 1 8 . 1 1 18 18 ILE N N 18 120.198 120.198 115.302 4.896 25927 4363 1 8 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.442 -0.371 25927 4364 1 8 . 1 1 18 18 ILE C C 18 177.925 177.925 177.749 0.176 25927 4365 1 8 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.314 2.067 25927 4366 1 8 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.153 -0.573 25927 4367 1 8 . 1 1 18 18 ILE H H 18 7.848 7.848 7.459 0.389 25927 4368 1 8 . 1 1 19 19 GLY N N 19 111.905 111.905 108.713 3.192 25927 4369 1 8 . 1 1 19 19 GLY C C 19 176.153 176.153 176.178 -0.025 25927 4370 1 8 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.250 -0.410 25927 4371 1 8 . 1 1 19 19 GLY H H 19 7.921 7.921 8.177 -0.256 25927 4372 1 8 . 1 1 20 20 HIS N N 20 120.808 120.808 121.262 -0.454 25927 4373 1 8 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.554 0.208 25927 4374 1 8 . 1 1 20 20 HIS C C 20 178.606 178.606 177.132 1.474 25927 4375 1 8 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.281 -1.423 25927 4376 1 8 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.207 -2.492 25927 4377 1 8 . 1 1 20 20 HIS H H 20 8.842 8.842 8.525 0.317 25927 4378 1 8 . 1 1 21 21 ASP N N 21 121.572 121.572 119.714 1.858 25927 4379 1 8 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.484 0.050 25927 4380 1 8 . 1 1 21 21 ASP C C 21 179.630 179.630 178.531 1.099 25927 4381 1 8 . 1 1 21 21 ASP CA C 21 57.505 57.505 56.978 0.527 25927 4382 1 8 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.388 -0.623 25927 4383 1 8 . 1 1 21 21 ASP H H 21 8.592 8.592 7.708 0.884 25927 4384 1 8 . 1 1 22 22 PHE N N 22 123.889 123.889 122.705 1.184 25927 4385 1 8 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.134 -0.039 25927 4386 1 8 . 1 1 22 22 PHE C C 22 175.647 175.647 176.735 -1.088 25927 4387 1 8 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.098 0.830 25927 4388 1 8 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.343 -0.196 25927 4389 1 8 . 1 1 22 22 PHE H H 22 8.790 8.790 8.955 -0.165 25927 4390 1 8 . 1 1 23 23 TYR N N 23 119.855 119.855 119.958 -0.103 25927 4391 1 8 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.991 -0.210 25927 4392 1 8 . 1 1 23 23 TYR C C 23 177.585 177.585 177.350 0.235 25927 4393 1 8 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.767 0.206 25927 4394 1 8 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.311 0.068 25927 4395 1 8 . 1 1 23 23 TYR H H 23 9.008 9.008 7.972 1.036 25927 4396 1 8 . 1 1 24 24 ARG N N 24 120.673 120.673 118.450 2.223 25927 4397 1 8 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.841 -0.123 25927 4398 1 8 . 1 1 24 24 ARG C C 24 177.149 177.149 178.635 -1.486 25927 4399 1 8 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.053 0.307 25927 4400 1 8 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.287 0.147 25927 4401 1 8 . 1 1 24 24 ARG H H 24 8.576 8.576 7.638 0.938 25927 4402 1 8 . 1 1 25 25 ALA N N 25 120.718 120.718 122.970 -2.252 25927 4403 1 8 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.095 0.016 25927 4404 1 8 . 1 1 25 25 ALA C C 25 179.502 179.502 179.173 0.329 25927 4405 1 8 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.855 -0.045 25927 4406 1 8 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.550 0.840 25927 4407 1 8 . 1 1 25 25 ALA H H 25 8.080 8.080 8.453 -0.373 25927 4408 1 8 . 1 1 26 26 PHE N N 26 118.193 118.193 119.181 -0.988 25927 4409 1 8 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.873 -0.375 25927 4410 1 8 . 1 1 26 26 PHE C C 26 177.120 177.120 176.780 0.340 25927 4411 1 8 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.583 0.714 25927 4412 1 8 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.011 0.896 25927 4413 1 8 . 1 1 26 26 PHE H H 26 8.467 8.467 8.202 0.265 25927 4414 1 8 . 1 1 27 27 SER N N 27 112.572 112.572 113.931 -1.359 25927 4415 1 8 . 1 1 27 27 SER HA H 27 3.845 3.845 4.241 -0.396 25927 4416 1 8 . 1 1 27 27 SER C C 27 176.828 176.828 176.507 0.321 25927 4417 1 8 . 1 1 27 27 SER CA C 27 61.656 61.656 61.006 0.650 25927 4418 1 8 . 1 1 27 27 SER CB C 27 62.952 62.952 62.883 0.069 25927 4419 1 8 . 1 1 27 27 SER H H 27 8.477 8.477 7.970 0.507 25927 4420 1 8 . 1 1 28 28 ASP N N 28 119.022 119.022 121.562 -2.540 25927 4421 1 8 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.486 -0.062 25927 4422 1 8 . 1 1 28 28 ASP C C 28 177.325 177.325 177.341 -0.016 25927 4423 1 8 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.426 0.231 25927 4424 1 8 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.943 0.331 25927 4425 1 8 . 1 1 28 28 ASP H H 28 8.019 8.019 8.172 -0.153 25927 4426 1 8 . 1 1 29 29 LYS N N 29 115.330 115.330 115.284 0.046 25927 4427 1 8 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.324 0.035 25927 4428 1 8 . 1 1 29 29 LYS C C 29 175.910 175.910 176.334 -0.424 25927 4429 1 8 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.260 -0.096 25927 4430 1 8 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.754 2.556 25927 4431 1 8 . 1 1 29 29 LYS H H 29 6.910 6.910 7.492 -0.582 25927 4432 1 8 . 1 1 30 30 TRP N N 30 122.847 122.847 123.735 -0.888 25927 4433 1 8 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.074 0.103 25927 4434 1 8 . 1 1 30 30 TRP C C 30 175.188 175.188 175.165 0.023 25927 4435 1 8 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.691 -0.650 25927 4436 1 8 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.776 0.144 25927 4437 1 8 . 1 1 30 30 TRP H H 30 7.638 7.638 7.585 0.053 25927 4438 1 8 . 1 1 31 31 GLU N N 31 128.182 128.182 126.218 1.964 25927 4439 1 8 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.032 0.127 25927 4440 1 8 . 1 1 31 31 GLU C C 31 173.960 173.960 173.873 0.087 25927 4441 1 8 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.313 -0.199 25927 4442 1 8 . 1 1 31 31 GLU CB C 31 31.083 31.083 30.626 0.457 25927 4443 1 8 . 1 1 31 31 GLU H H 31 7.426 7.426 7.434 -0.008 25927 4444 1 8 . 1 1 32 32 SER N N 32 115.672 115.672 118.969 -3.297 25927 4445 1 8 . 1 1 32 32 SER HA H 32 4.100 4.100 4.545 -0.445 25927 4446 1 8 . 1 1 32 32 SER C C 32 173.864 173.864 173.773 0.091 25927 4447 1 8 . 1 1 32 32 SER CA C 32 57.344 57.344 57.377 -0.033 25927 4448 1 8 . 1 1 32 32 SER CB C 32 64.220 64.220 65.639 -1.419 25927 4449 1 8 . 1 1 32 32 SER H H 32 7.276 7.276 7.955 -0.679 25927 4450 1 8 . 1 1 33 33 ASP N N 33 123.759 123.759 121.040 2.719 25927 4451 1 8 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.586 0.037 25927 4452 1 8 . 1 1 33 33 ASP C C 33 176.175 176.175 176.515 -0.340 25927 4453 1 8 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.734 -0.605 25927 4454 1 8 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.464 -0.854 25927 4455 1 8 . 1 1 33 33 ASP H H 33 8.429 8.429 8.625 -0.196 25927 4456 1 8 . 1 1 34 34 TYR N N 34 122.283 122.283 118.547 3.736 25927 4457 1 8 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.644 -0.070 25927 4458 1 8 . 1 1 34 34 TYR C C 34 177.025 177.025 176.417 0.608 25927 4459 1 8 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.672 1.145 25927 4460 1 8 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.184 -0.050 25927 4461 1 8 . 1 1 34 34 TYR H H 34 8.649 8.649 7.796 0.853 25927 4462 1 8 . 1 1 35 35 THR N N 35 116.852 116.852 113.023 3.829 25927 4463 1 8 . 1 1 35 35 THR HA H 35 4.311 4.311 4.108 0.203 25927 4464 1 8 . 1 1 35 35 THR C C 35 174.704 174.704 174.300 0.404 25927 4465 1 8 . 1 1 35 35 THR CA C 35 61.364 61.364 62.893 -1.529 25927 4466 1 8 . 1 1 35 35 THR CB C 35 69.454 69.454 68.793 0.661 25927 4467 1 8 . 1 1 35 35 THR H H 35 8.067 8.067 8.491 -0.424 25927 4468 1 8 . 1 1 36 36 GLY N N 36 107.698 107.698 107.315 0.383 25927 4469 1 8 . 1 1 36 36 GLY C C 36 171.455 171.455 174.221 -2.766 25927 4470 1 8 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.058 -0.540 25927 4471 1 8 . 1 1 36 36 GLY H H 36 5.732 5.732 6.550 -0.818 25927 4472 1 8 . 1 1 37 37 ASN N N 37 117.424 117.424 118.950 -1.526 25927 4473 1 8 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.714 0.271 25927 4474 1 8 . 1 1 37 37 ASN C C 37 175.393 175.393 173.685 1.708 25927 4475 1 8 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.300 0.533 25927 4476 1 8 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.232 3.281 25927 4477 1 8 . 1 1 37 37 ASN H H 37 8.346 8.346 8.508 -0.162 25927 4478 1 8 . 1 1 38 38 LEU N N 38 126.809 126.809 118.551 8.258 25927 4479 1 8 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.644 -0.646 25927 4480 1 8 . 1 1 38 38 LEU C C 38 175.770 175.770 175.361 0.409 25927 4481 1 8 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.846 2.168 25927 4482 1 8 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.559 -0.493 25927 4483 1 8 . 1 1 38 38 LEU H H 38 8.469 8.469 7.799 0.670 25927 4484 1 8 . 1 1 39 39 THR N N 39 119.369 119.369 114.265 5.104 25927 4485 1 8 . 1 1 39 39 THR HA H 39 4.799 4.799 4.912 -0.113 25927 4486 1 8 . 1 1 39 39 THR C C 39 172.224 172.224 172.701 -0.477 25927 4487 1 8 . 1 1 39 39 THR CA C 39 61.958 61.958 60.544 1.414 25927 4488 1 8 . 1 1 39 39 THR CB C 39 70.327 70.327 72.117 -1.790 25927 4489 1 8 . 1 1 39 39 THR H H 39 8.849 8.849 8.904 -0.055 25927 4490 1 8 . 1 1 40 40 ILE N N 40 125.490 125.490 124.031 1.459 25927 4491 1 8 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.358 0.162 25927 4492 1 8 . 1 1 40 40 ILE C C 40 173.125 173.125 173.741 -0.616 25927 4493 1 8 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.364 0.817 25927 4494 1 8 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.080 -2.630 25927 4495 1 8 . 1 1 40 40 ILE H H 40 8.562 8.562 7.925 0.637 25927 4496 1 8 . 1 1 41 41 ASN N N 41 124.656 124.656 124.260 0.396 25927 4497 1 8 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.693 -0.793 25927 4498 1 8 . 1 1 41 41 ASN C C 41 173.445 173.445 174.068 -0.623 25927 4499 1 8 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.596 0.483 25927 4500 1 8 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.303 -0.187 25927 4501 1 8 . 1 1 41 41 ASN H H 41 9.173 9.173 8.794 0.379 25927 4502 1 8 . 1 1 42 42 GLU N N 42 120.095 120.095 122.013 -1.918 25927 4503 1 8 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.343 0.042 25927 4504 1 8 . 1 1 42 42 GLU C C 42 173.971 173.971 175.242 -1.271 25927 4505 1 8 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.522 -0.392 25927 4506 1 8 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.625 1.832 25927 4507 1 8 . 1 1 42 42 GLU H H 42 7.741 7.741 8.237 -0.496 25927 4508 1 8 . 1 1 43 43 ARG N N 43 127.178 127.178 121.559 5.619 25927 4509 1 8 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.835 0.198 25927 4510 1 8 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.475 0.220 25927 4511 1 8 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.708 -0.220 25927 4512 1 8 . 1 1 43 43 ARG H H 43 9.039 9.039 8.762 0.277 25927 4513 1 8 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.612 0.115 25927 4514 1 8 . 1 1 44 44 PRO C C 44 176.335 176.335 175.971 0.364 25927 4515 1 8 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.749 0.593 25927 4516 1 8 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.130 0.544 25927 4517 1 8 . 1 1 45 45 SER N N 45 117.089 117.089 122.463 -5.374 25927 4518 1 8 . 1 1 45 45 SER HA H 45 4.837 4.837 4.723 0.114 25927 4519 1 8 . 1 1 45 45 SER C C 45 174.334 174.334 174.595 -0.261 25927 4520 1 8 . 1 1 45 45 SER CA C 45 56.688 56.688 57.584 -0.896 25927 4521 1 8 . 1 1 45 45 SER CB C 45 64.628 64.628 64.454 0.174 25927 4522 1 8 . 1 1 45 45 SER H H 45 8.497 8.497 8.921 -0.424 25927 4523 1 8 . 1 1 46 46 ALA N N 46 126.901 126.901 127.709 -0.808 25927 4524 1 8 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.059 0.163 25927 4525 1 8 . 1 1 46 46 ALA C C 46 178.171 178.171 178.470 -0.299 25927 4526 1 8 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.232 -0.144 25927 4527 1 8 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.948 -0.356 25927 4528 1 8 . 1 1 46 46 ALA H H 46 8.780 8.780 8.684 0.096 25927 4529 1 8 . 1 1 47 47 ARG N N 47 117.860 117.860 117.069 0.791 25927 4530 1 8 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.161 0.249 25927 4531 1 8 . 1 1 47 47 ARG C C 47 175.674 175.674 176.513 -0.839 25927 4532 1 8 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.035 -1.783 25927 4533 1 8 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.614 0.972 25927 4534 1 8 . 1 1 47 47 ARG H H 47 8.381 8.381 8.008 0.373 25927 4535 1 8 . 1 1 48 48 ALA N N 48 121.099 121.099 117.588 3.511 25927 4536 1 8 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.646 -0.227 25927 4537 1 8 . 1 1 48 48 ALA C C 48 176.874 176.874 175.949 0.925 25927 4538 1 8 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.224 1.044 25927 4539 1 8 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.648 -1.867 25927 4540 1 8 . 1 1 48 48 ALA H H 48 8.012 8.012 8.195 -0.183 25927 4541 1 8 . 1 1 49 49 GLY N N 49 106.126 106.126 107.233 -1.107 25927 4542 1 8 . 1 1 49 49 GLY C C 49 172.803 172.803 172.058 0.745 25927 4543 1 8 . 1 1 49 49 GLY CA C 49 44.490 44.490 46.011 -1.520 25927 4544 1 8 . 1 1 49 49 GLY H H 49 7.946 7.946 8.532 -0.586 25927 4545 1 8 . 1 1 50 50 SER N N 50 113.972 113.972 116.002 -2.030 25927 4546 1 8 . 1 1 50 50 SER HA H 50 4.736 4.736 5.094 -0.358 25927 4547 1 8 . 1 1 50 50 SER C C 50 171.367 171.367 172.499 -1.132 25927 4548 1 8 . 1 1 50 50 SER CA C 50 57.165 57.165 56.194 0.971 25927 4549 1 8 . 1 1 50 50 SER CB C 50 66.797 66.797 66.245 0.552 25927 4550 1 8 . 1 1 50 50 SER H H 50 7.631 7.631 8.152 -0.521 25927 4551 1 8 . 1 1 51 51 TRP N N 51 121.787 121.787 123.319 -1.532 25927 4552 1 8 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.254 0.602 25927 4553 1 8 . 1 1 51 51 TRP C C 51 176.055 176.055 175.802 0.253 25927 4554 1 8 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.307 -0.514 25927 4555 1 8 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.547 -0.014 25927 4556 1 8 . 1 1 51 51 TRP H H 51 8.588 8.588 8.558 0.030 25927 4557 1 8 . 1 1 52 52 ILE N N 52 126.898 126.898 124.820 2.078 25927 4558 1 8 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.830 0.241 25927 4559 1 8 . 1 1 52 52 ILE C C 52 175.754 175.754 175.137 0.617 25927 4560 1 8 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.560 -1.827 25927 4561 1 8 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.267 0.088 25927 4562 1 8 . 1 1 52 52 ILE H H 52 8.963 8.963 9.074 -0.111 25927 4563 1 8 . 1 1 53 53 THR N N 53 116.271 116.271 123.704 -7.433 25927 4564 1 8 . 1 1 53 53 THR HA H 53 5.095 5.095 4.795 0.300 25927 4565 1 8 . 1 1 53 53 THR C C 53 173.382 173.382 172.841 0.541 25927 4566 1 8 . 1 1 53 53 THR CA C 53 59.290 59.290 61.778 -2.488 25927 4567 1 8 . 1 1 53 53 THR CB C 53 71.819 71.819 70.898 0.921 25927 4568 1 8 . 1 1 53 53 THR H H 53 8.371 8.371 9.147 -0.776 25927 4569 1 8 . 1 1 54 54 ILE N N 54 124.947 124.947 129.716 -4.769 25927 4570 1 8 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.093 0.090 25927 4571 1 8 . 1 1 54 54 ILE C C 54 175.952 175.952 173.903 2.049 25927 4572 1 8 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.339 2.255 25927 4573 1 8 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.815 -2.198 25927 4574 1 8 . 1 1 54 54 ILE H H 54 9.056 9.056 9.042 0.014 25927 4575 1 8 . 1 1 55 55 THR N N 55 118.298 118.298 123.144 -4.846 25927 4576 1 8 . 1 1 55 55 THR HA H 55 5.458 5.458 5.119 0.339 25927 4577 1 8 . 1 1 55 55 THR C C 55 173.980 173.980 173.572 0.408 25927 4578 1 8 . 1 1 55 55 THR CA C 55 58.717 58.717 59.778 -1.061 25927 4579 1 8 . 1 1 55 55 THR CB C 55 71.839 71.839 71.021 0.818 25927 4580 1 8 . 1 1 55 55 THR H H 55 9.250 9.250 8.871 0.379 25927 4581 1 8 . 1 1 56 56 VAL N N 56 120.047 120.047 126.021 -5.974 25927 4582 1 8 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.705 -0.285 25927 4583 1 8 . 1 1 56 56 VAL C C 56 176.226 176.226 176.509 -0.283 25927 4584 1 8 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.724 -0.683 25927 4585 1 8 . 1 1 56 56 VAL CB C 56 33.761 33.761 32.037 1.724 25927 4586 1 8 . 1 1 56 56 VAL H H 56 8.435 8.435 8.805 -0.370 25927 4587 1 8 . 1 1 57 57 ASN N N 57 125.479 125.479 126.887 -1.408 25927 4588 1 8 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.263 -0.068 25927 4589 1 8 . 1 1 57 57 ASN C C 57 175.026 175.026 175.579 -0.553 25927 4590 1 8 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.576 -0.880 25927 4591 1 8 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.346 -0.347 25927 4592 1 8 . 1 1 57 57 ASN H H 57 9.199 9.199 9.411 -0.212 25927 4593 1 8 . 1 1 58 58 GLN N N 58 116.897 116.897 116.299 0.598 25927 4594 1 8 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.489 -0.303 25927 4595 1 8 . 1 1 58 58 GLN C C 58 175.237 175.237 174.809 0.428 25927 4596 1 8 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.492 1.347 25927 4597 1 8 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.048 -2.465 25927 4598 1 8 . 1 1 58 58 GLN H H 58 8.576 8.576 8.234 0.342 25927 4599 1 8 . 1 1 59 59 ASP N N 59 122.465 122.465 122.943 -0.478 25927 4600 1 8 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.890 -0.174 25927 4601 1 8 . 1 1 59 59 ASP C C 59 175.302 175.302 174.512 0.790 25927 4602 1 8 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.766 0.367 25927 4603 1 8 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.024 -2.571 25927 4604 1 8 . 1 1 59 59 ASP H H 59 8.343 8.343 8.273 0.070 25927 4605 1 8 . 1 1 60 60 VAL N N 60 124.577 124.577 123.663 0.914 25927 4606 1 8 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.141 -0.264 25927 4607 1 8 . 1 1 60 60 VAL C C 60 176.802 176.802 175.594 1.208 25927 4608 1 8 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.956 0.825 25927 4609 1 8 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.741 -1.007 25927 4610 1 8 . 1 1 60 60 VAL H H 60 8.754 8.754 8.742 0.012 25927 4611 1 8 . 1 1 61 61 ILE N N 61 123.852 123.852 124.431 -0.579 25927 4612 1 8 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.568 -0.049 25927 4613 1 8 . 1 1 61 61 ILE C C 61 175.073 175.073 175.122 -0.049 25927 4614 1 8 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.161 -0.562 25927 4615 1 8 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.179 -1.209 25927 4616 1 8 . 1 1 61 61 ILE H H 61 8.984 8.984 8.059 0.925 25927 4617 1 8 . 1 1 62 62 PHE N N 62 119.927 119.927 120.856 -0.929 25927 4618 1 8 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.858 -0.212 25927 4619 1 8 . 1 1 62 62 PHE C C 62 171.958 171.958 172.809 -0.851 25927 4620 1 8 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.445 0.926 25927 4621 1 8 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.706 0.104 25927 4622 1 8 . 1 1 62 62 PHE H H 62 7.557 7.557 7.603 -0.046 25927 4623 1 8 . 1 1 63 63 GLN N N 63 125.524 125.524 122.714 2.810 25927 4624 1 8 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.824 0.285 25927 4625 1 8 . 1 1 63 63 GLN C C 63 172.837 172.837 173.544 -0.707 25927 4626 1 8 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.895 -0.133 25927 4627 1 8 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.792 -0.112 25927 4628 1 8 . 1 1 63 63 GLN H H 63 7.389 7.389 7.701 -0.312 25927 4629 1 8 . 1 1 64 64 THR N N 64 115.981 115.981 114.954 1.027 25927 4630 1 8 . 1 1 64 64 THR HA H 64 4.428 4.428 4.488 -0.060 25927 4631 1 8 . 1 1 64 64 THR C C 64 169.980 169.980 172.090 -2.110 25927 4632 1 8 . 1 1 64 64 THR CA C 64 60.555 60.555 60.971 -0.416 25927 4633 1 8 . 1 1 64 64 THR CB C 64 69.083 69.083 71.793 -2.710 25927 4634 1 8 . 1 1 64 64 THR H H 64 8.588 8.588 8.718 -0.130 25927 4635 1 8 . 1 1 65 65 PHE N N 65 125.997 125.997 123.514 2.483 25927 4636 1 8 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.529 -0.115 25927 4637 1 8 . 1 1 65 65 PHE C C 65 173.940 173.940 174.421 -0.481 25927 4638 1 8 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.229 0.021 25927 4639 1 8 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.134 0.579 25927 4640 1 8 . 1 1 65 65 PHE H H 65 8.054 8.054 8.266 -0.212 25927 4641 1 8 . 1 1 66 66 LEU N N 66 127.935 127.935 125.642 2.293 25927 4642 1 8 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.584 -0.132 25927 4643 1 8 . 1 1 66 66 LEU C C 66 174.502 174.502 175.140 -0.638 25927 4644 1 8 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.693 -1.084 25927 4645 1 8 . 1 1 66 66 LEU H H 66 8.383 8.383 8.501 -0.118 25927 4646 1 8 . 1 1 67 67 PHE N N 67 123.162 123.162 118.949 4.213 25927 4647 1 8 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.475 -0.851 25927 4648 1 8 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.819 -1.692 25927 4649 1 8 . 1 1 67 67 PHE H H 67 8.285 8.285 8.820 -0.535 25927 4650 1 8 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.504 -0.057 25927 4651 1 8 . 1 1 68 68 PRO C C 68 175.918 175.918 176.990 -1.072 25927 4652 1 8 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.132 -2.509 25927 4653 1 8 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.365 -0.144 25927 4654 1 8 . 1 1 69 69 LEU N N 69 121.360 121.360 120.084 1.276 25927 4655 1 8 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.379 -0.185 25927 4656 1 8 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.690 -0.438 25927 4657 1 8 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.247 -1.570 25927 4658 1 8 . 1 1 69 69 LEU H H 69 8.300 8.300 8.250 0.050 25927 4659 1 8 . 1 1 70 70 LYS N N 70 123.012 123.012 117.410 5.602 25927 4660 1 8 . 1 1 70 70 LYS CA C 70 55.700 55.700 56.231 -0.531 25927 4661 1 8 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.060 -3.341 25927 4662 1 8 . 1 1 70 70 LYS H H 70 8.156 8.156 7.973 0.183 25927 4663 1 8 . 1 1 71 71 ARG N N 71 125.250 125.250 121.227 4.023 25927 4664 1 8 . 1 1 71 71 ARG C C 71 179.581 179.581 176.567 3.014 25927 4665 1 8 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.531 0.687 25927 4666 1 8 . 1 1 71 71 ARG H H 71 8.279 8.279 8.798 -0.519 25927 4667 1 8 . 1 1 72 72 ASP N N 72 119.355 119.355 120.341 -0.986 25927 4668 1 8 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.546 0.200 25927 4669 1 8 . 1 1 72 72 ASP C C 72 177.124 177.124 177.150 -0.026 25927 4670 1 8 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.917 -0.244 25927 4671 1 8 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.365 -0.318 25927 4672 1 8 . 1 1 72 72 ASP H H 72 8.182 8.182 8.250 -0.068 25927 4673 1 8 . 1 1 73 73 PHE N N 73 122.846 122.846 121.869 0.977 25927 4674 1 8 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.120 0.010 25927 4675 1 8 . 1 1 73 73 PHE C C 73 176.729 176.729 176.821 -0.092 25927 4676 1 8 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.161 0.861 25927 4677 1 8 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.153 1.051 25927 4678 1 8 . 1 1 73 73 PHE H H 73 8.197 8.197 8.379 -0.182 25927 4679 1 8 . 1 1 74 74 GLU N N 74 118.652 118.652 118.605 0.047 25927 4680 1 8 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.893 -0.049 25927 4681 1 8 . 1 1 74 74 GLU C C 74 179.310 179.310 178.720 0.590 25927 4682 1 8 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.734 0.917 25927 4683 1 8 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.370 -0.721 25927 4684 1 8 . 1 1 74 74 GLU H H 74 9.098 9.098 9.099 -0.001 25927 4685 1 8 . 1 1 75 75 LYS N N 75 117.836 117.836 119.448 -1.612 25927 4686 1 8 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.091 -0.012 25927 4687 1 8 . 1 1 75 75 LYS C C 75 179.312 179.312 179.329 -0.017 25927 4688 1 8 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.416 -0.136 25927 4689 1 8 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.232 0.111 25927 4690 1 8 . 1 1 75 75 LYS H H 75 8.078 8.078 7.741 0.337 25927 4691 1 8 . 1 1 76 76 THR N N 76 118.581 118.581 117.594 0.987 25927 4692 1 8 . 1 1 76 76 THR HA H 76 4.168 4.168 4.140 0.028 25927 4693 1 8 . 1 1 76 76 THR C C 76 175.873 175.873 176.787 -0.914 25927 4694 1 8 . 1 1 76 76 THR CA C 76 67.009 67.009 66.921 0.088 25927 4695 1 8 . 1 1 76 76 THR CB C 76 68.404 68.404 68.562 -0.158 25927 4696 1 8 . 1 1 76 76 THR H H 76 8.031 8.031 8.355 -0.324 25927 4697 1 8 . 1 1 77 77 VAL N N 77 122.994 122.994 121.706 1.288 25927 4698 1 8 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.554 -0.162 25927 4699 1 8 . 1 1 77 77 VAL C C 77 177.137 177.137 177.581 -0.444 25927 4700 1 8 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.910 0.545 25927 4701 1 8 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.258 0.315 25927 4702 1 8 . 1 1 77 77 VAL H H 77 7.999 7.999 8.149 -0.150 25927 4703 1 8 . 1 1 78 78 VAL N N 78 117.994 117.994 118.903 -0.909 25927 4704 1 8 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.494 0.054 25927 4705 1 8 . 1 1 78 78 VAL C C 78 177.830 177.830 177.542 0.288 25927 4706 1 8 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.431 0.843 25927 4707 1 8 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.285 0.458 25927 4708 1 8 . 1 1 78 78 VAL H H 78 7.745 7.745 7.976 -0.231 25927 4709 1 8 . 1 1 79 79 ALA N N 79 120.460 120.460 121.214 -0.754 25927 4710 1 8 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.065 0.115 25927 4711 1 8 . 1 1 79 79 ALA C C 79 176.512 176.512 179.142 -2.630 25927 4712 1 8 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.928 0.173 25927 4713 1 8 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.105 0.065 25927 4714 1 8 . 1 1 79 79 ALA H H 79 7.844 7.844 8.434 -0.590 25927 4715 1 8 . 1 1 80 80 ALA N N 80 119.351 119.351 120.617 -1.266 25927 4716 1 8 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.733 -0.737 25927 4717 1 8 . 1 1 80 80 ALA C C 80 180.805 180.805 179.452 1.353 25927 4718 1 8 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.911 -0.254 25927 4719 1 8 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.483 0.875 25927 4720 1 8 . 1 1 80 80 ALA H H 80 8.178 8.178 8.045 0.133 25927 4721 1 8 . 1 1 81 81 LEU N N 81 123.041 123.041 119.482 3.559 25927 4722 1 8 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.014 -0.150 25927 4723 1 8 . 1 1 81 81 LEU C C 81 179.526 179.526 179.071 0.455 25927 4724 1 8 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.754 1.131 25927 4725 1 8 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.597 0.954 25927 4726 1 8 . 1 1 81 81 LEU H H 81 8.469 8.469 7.250 1.219 25927 4727 1 8 . 1 1 82 82 ILE N N 82 119.350 119.350 118.702 0.648 25927 4728 1 8 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.627 0.200 25927 4729 1 8 . 1 1 82 82 ILE C C 82 179.375 179.375 178.133 1.242 25927 4730 1 8 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.314 -0.735 25927 4731 1 8 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.636 0.978 25927 4732 1 8 . 1 1 82 82 ILE H H 82 7.988 7.988 7.304 0.684 25927 4733 1 8 . 1 1 83 83 GLN N N 83 118.033 118.033 118.382 -0.349 25927 4734 1 8 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.917 0.276 25927 4735 1 8 . 1 1 83 83 GLN C C 83 179.932 179.932 178.626 1.306 25927 4736 1 8 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.785 0.378 25927 4737 1 8 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.013 0.681 25927 4738 1 8 . 1 1 83 83 GLN H H 83 8.665 8.665 8.156 0.509 25927 4739 1 8 . 1 1 84 84 THR N N 84 118.583 118.583 115.148 3.435 25927 4740 1 8 . 1 1 84 84 THR HA H 84 3.813 3.813 4.054 -0.241 25927 4741 1 8 . 1 1 84 84 THR C C 84 175.824 175.824 176.238 -0.414 25927 4742 1 8 . 1 1 84 84 THR CA C 84 68.515 68.515 67.588 0.927 25927 4743 1 8 . 1 1 84 84 THR CB C 84 67.514 67.514 68.811 -1.297 25927 4744 1 8 . 1 1 84 84 THR H H 84 8.355 8.355 8.169 0.186 25927 4745 1 8 . 1 1 85 85 GLU N N 85 121.547 121.547 120.786 0.761 25927 4746 1 8 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.159 0.014 25927 4747 1 8 . 1 1 85 85 GLU C C 85 178.637 178.637 178.584 0.053 25927 4748 1 8 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.132 1.244 25927 4749 1 8 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.985 0.227 25927 4750 1 8 . 1 1 85 85 GLU H H 85 7.846 7.846 7.838 0.008 25927 4751 1 8 . 1 1 86 86 GLU N N 86 118.203 118.203 119.481 -1.278 25927 4752 1 8 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.015 0.089 25927 4753 1 8 . 1 1 86 86 GLU C C 86 179.080 179.080 178.836 0.244 25927 4754 1 8 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.101 0.583 25927 4755 1 8 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.102 0.456 25927 4756 1 8 . 1 1 86 86 GLU H H 86 8.154 8.154 8.538 -0.384 25927 4757 1 8 . 1 1 87 87 ALA N N 87 121.242 121.242 121.485 -0.243 25927 4758 1 8 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.143 0.033 25927 4759 1 8 . 1 1 87 87 ALA C C 87 181.299 181.299 179.439 1.860 25927 4760 1 8 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.830 0.386 25927 4761 1 8 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.623 0.610 25927 4762 1 8 . 1 1 87 87 ALA H H 87 8.181 8.181 7.469 0.712 25927 4763 1 8 . 1 1 88 88 LEU N N 88 119.086 119.086 117.840 1.246 25927 4764 1 8 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.071 -0.074 25927 4765 1 8 . 1 1 88 88 LEU C C 88 179.526 179.526 178.257 1.269 25927 4766 1 8 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.149 1.399 25927 4767 1 8 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.388 -0.144 25927 4768 1 8 . 1 1 88 88 LEU H H 88 8.379 8.379 7.372 1.007 25927 4769 1 8 . 1 1 89 89 ASN N N 89 119.429 119.429 118.535 0.894 25927 4770 1 8 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.467 0.100 25927 4771 1 8 . 1 1 89 89 ASN C C 89 177.117 177.117 176.735 0.382 25927 4772 1 8 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.705 -0.701 25927 4773 1 8 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.490 -0.142 25927 4774 1 8 . 1 1 89 89 ASN H H 89 8.271 8.271 8.708 -0.437 25927 4775 1 8 . 1 1 90 90 ARG N N 90 118.735 118.735 116.741 1.994 25927 4776 1 8 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.382 -0.229 25927 4777 1 8 . 1 1 90 90 ARG C C 90 177.836 177.836 177.174 0.662 25927 4778 1 8 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.999 1.575 25927 4779 1 8 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.478 -0.248 25927 4780 1 8 . 1 1 90 90 ARG H H 90 8.010 8.010 7.746 0.264 25927 4781 1 8 . 1 1 91 91 ARG N N 91 118.976 118.976 118.992 -0.016 25927 4782 1 8 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.216 -0.007 25927 4783 1 8 . 1 1 91 91 ARG C C 91 177.455 177.455 177.816 -0.361 25927 4784 1 8 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.445 -0.419 25927 4785 1 8 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.064 -0.277 25927 4786 1 8 . 1 1 91 91 ARG H H 91 7.833 7.833 7.538 0.295 25927 4787 1 8 . 1 1 92 92 GLN N N 92 118.834 118.834 115.443 3.391 25927 4788 1 8 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.485 -0.228 25927 4789 1 8 . 1 1 92 92 GLN C C 92 177.362 177.362 177.938 -0.576 25927 4790 1 8 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.761 0.727 25927 4791 1 8 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.598 -1.466 25927 4792 1 8 . 1 1 92 92 GLN H H 92 7.988 7.988 8.188 -0.200 25927 4793 1 8 . 1 1 93 93 ILE N N 93 120.499 120.499 122.020 -1.521 25927 4794 1 8 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.748 0.268 25927 4795 1 8 . 1 1 93 93 ILE C C 93 177.002 177.002 177.059 -0.057 25927 4796 1 8 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.855 -1.994 25927 4797 1 8 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.397 1.171 25927 4798 1 8 . 1 1 93 93 ILE H H 93 7.976 7.976 7.849 0.127 25927 4799 1 8 . 1 1 94 94 ASN N N 94 120.172 120.172 118.966 1.206 25927 4800 1 8 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.281 0.358 25927 4801 1 8 . 1 1 94 94 ASN C C 94 176.336 176.336 177.715 -1.379 25927 4802 1 8 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.092 -2.775 25927 4803 1 8 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.329 0.271 25927 4804 1 8 . 1 1 94 94 ASN H H 94 8.272 8.272 8.169 0.103 25927 4805 1 8 . 1 1 95 95 GLN N N 95 120.288 120.288 118.706 1.582 25927 4806 1 8 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.136 0.044 25927 4807 1 8 . 1 1 95 95 GLN C C 95 176.701 176.701 177.944 -1.243 25927 4808 1 8 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.545 -1.366 25927 4809 1 8 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.712 0.284 25927 4810 1 8 . 1 1 95 95 GLN H H 95 8.303 8.303 7.653 0.650 25927 4811 1 8 . 1 1 96 96 ALA N N 96 123.219 123.219 122.794 0.425 25927 4812 1 8 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.067 0.194 25927 4813 1 8 . 1 1 96 96 ALA C C 96 178.429 178.429 179.518 -1.089 25927 4814 1 8 . 1 1 96 96 ALA CA C 96 53.432 53.432 55.141 -1.709 25927 4815 1 8 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.640 0.133 25927 4816 1 8 . 1 1 96 96 ALA H H 96 8.112 8.112 7.632 0.480 25927 4817 1 8 . 1 1 97 97 LEU N N 97 119.452 119.452 117.087 2.365 25927 4818 1 8 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.504 -0.203 25927 4819 1 8 . 1 1 97 97 LEU C C 97 177.834 177.834 178.565 -0.731 25927 4820 1 8 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.458 -1.712 25927 4821 1 8 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.656 0.634 25927 4822 1 8 . 1 1 97 97 LEU H H 97 7.932 7.932 8.233 -0.301 25927 4823 1 8 . 1 1 98 98 LEU N N 98 121.124 121.124 119.255 1.869 25927 4824 1 8 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.355 0.022 25927 4825 1 8 . 1 1 98 98 LEU C C 98 177.729 177.729 178.759 -1.030 25927 4826 1 8 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.149 -1.723 25927 4827 1 8 . 1 1 98 98 LEU CB C 98 42.406 42.406 41.956 0.450 25927 4828 1 8 . 1 1 98 98 LEU H H 98 7.947 7.947 7.759 0.188 25927 4829 1 8 . 1 1 99 99 SER N N 99 115.913 115.913 112.988 2.925 25927 4830 1 8 . 1 1 99 99 SER HA H 99 4.525 4.525 4.371 0.154 25927 4831 1 8 . 1 1 99 99 SER C C 99 174.980 174.980 175.176 -0.196 25927 4832 1 8 . 1 1 99 99 SER CA C 99 58.478 58.478 60.452 -1.974 25927 4833 1 8 . 1 1 99 99 SER CB C 99 63.839 63.839 63.644 0.195 25927 4834 1 8 . 1 1 99 99 SER H H 99 8.238 8.238 8.196 0.042 25927 4835 1 8 . 1 1 100 100 THR N N 100 114.610 114.610 116.372 -1.762 25927 4836 1 8 . 1 1 100 100 THR HA H 100 4.361 4.361 4.502 -0.141 25927 4837 1 8 . 1 1 100 100 THR C C 100 175.368 175.368 173.318 2.050 25927 4838 1 8 . 1 1 100 100 THR CA C 100 62.195 62.195 62.577 -0.382 25927 4839 1 8 . 1 1 100 100 THR CB C 100 69.794 69.794 69.868 -0.074 25927 4840 1 8 . 1 1 100 100 THR H H 100 8.140 8.140 7.622 0.518 25927 4841 1 8 . 1 1 101 101 GLY N N 101 110.650 110.650 114.833 -4.183 25927 4842 1 8 . 1 1 101 101 GLY C C 101 173.935 173.935 173.923 0.012 25927 4843 1 8 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.734 0.759 25927 4844 1 8 . 1 1 101 101 GLY H H 101 8.353 8.353 8.307 0.046 25927 4845 1 8 . 1 1 102 102 ASP N N 102 120.512 120.512 119.329 1.183 25927 4846 1 8 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.608 -0.005 25927 4847 1 8 . 1 1 102 102 ASP C C 102 176.419 176.419 177.656 -1.237 25927 4848 1 8 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.649 -0.358 25927 4849 1 8 . 1 1 102 102 ASP CB C 102 41.277 41.277 41.524 -0.247 25927 4850 1 8 . 1 1 102 102 ASP H H 102 8.204 8.204 7.849 0.355 25927 4851 1 8 . 1 1 103 103 LEU N N 103 122.331 122.331 119.976 2.355 25927 4852 1 8 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.401 -0.143 25927 4853 1 8 . 1 1 103 103 LEU C C 103 177.394 177.394 175.761 1.633 25927 4854 1 8 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.384 0.144 25927 4855 1 8 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.902 -0.674 25927 4856 1 8 . 1 1 103 103 LEU H H 103 8.170 8.170 8.138 0.032 25927 4857 1 8 . 1 1 104 104 ALA N N 104 123.139 123.139 122.426 0.713 25927 4858 1 8 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.447 -0.247 25927 4859 1 8 . 1 1 104 104 ALA C C 104 177.730 177.730 176.841 0.889 25927 4860 1 8 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.057 0.717 25927 4861 1 8 . 1 1 104 104 ALA CB C 104 19.005 19.005 18.681 0.324 25927 4862 1 8 . 1 1 104 104 ALA H H 104 8.150 8.150 8.986 -0.836 25927 4863 1 8 . 1 1 105 105 HIS N N 105 117.105 117.105 117.965 -0.860 25927 4864 1 8 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.627 0.014 25927 4865 1 8 . 1 1 105 105 HIS C C 105 174.414 174.414 174.204 0.210 25927 4866 1 8 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.783 -2.263 25927 4867 1 8 . 1 1 105 105 HIS CB C 105 29.278 29.278 31.233 -1.955 25927 4868 1 8 . 1 1 105 105 HIS H H 105 8.239 8.239 8.531 -0.292 25927 4869 1 8 . 1 1 106 106 ASP N N 106 121.315 121.315 118.100 3.215 25927 4870 1 8 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.733 -0.130 25927 4871 1 8 . 1 1 106 106 ASP C C 106 176.370 176.370 175.633 0.737 25927 4872 1 8 . 1 1 106 106 ASP CA C 106 54.319 54.319 53.931 0.388 25927 4873 1 8 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.934 0.480 25927 4874 1 8 . 1 1 106 106 ASP H H 106 8.298 8.298 8.105 0.193 25927 4875 1 8 . 1 1 107 107 GLU N N 107 121.228 121.228 119.513 1.715 25927 4876 1 8 . 1 1 107 107 GLU HA H 107 4.108 4.108 3.979 0.129 25927 4877 1 8 . 1 1 107 107 GLU C C 107 176.248 176.248 176.142 0.106 25927 4878 1 8 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.839 -0.647 25927 4879 1 8 . 1 1 107 107 GLU CB C 107 30.095 30.095 29.938 0.157 25927 4880 1 8 . 1 1 107 107 GLU H H 107 8.536 8.536 8.622 -0.086 25927 4881 1 9 . 1 1 2 2 VAL N N 2 119.413 119.413 120.891 -1.478 25927 4882 1 9 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.375 -0.243 25927 4883 1 9 . 1 1 2 2 VAL C C 2 175.957 175.957 174.158 1.799 25927 4884 1 9 . 1 1 2 2 VAL CA C 2 62.517 62.517 61.982 0.535 25927 4885 1 9 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.810 -1.134 25927 4886 1 9 . 1 1 2 2 VAL H H 2 8.453 8.453 8.047 0.406 25927 4887 1 9 . 1 1 3 3 GLU N N 3 125.255 125.255 126.326 -1.071 25927 4888 1 9 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.773 -0.425 25927 4889 1 9 . 1 1 3 3 GLU C C 3 176.154 176.154 175.116 1.038 25927 4890 1 9 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.059 0.409 25927 4891 1 9 . 1 1 3 3 GLU CB C 3 30.382 30.382 31.456 -1.073 25927 4892 1 9 . 1 1 3 3 GLU H H 3 8.587 8.587 8.539 0.048 25927 4893 1 9 . 1 1 4 4 VAL N N 4 121.132 121.132 121.301 -0.169 25927 4894 1 9 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.153 -0.032 25927 4895 1 9 . 1 1 4 4 VAL C C 4 175.762 175.762 174.872 0.890 25927 4896 1 9 . 1 1 4 4 VAL CA C 4 62.028 62.028 62.108 -0.080 25927 4897 1 9 . 1 1 4 4 VAL CB C 4 33.056 33.056 32.554 0.502 25927 4898 1 9 . 1 1 4 4 VAL H H 4 8.172 8.172 8.224 -0.052 25927 4899 1 9 . 1 1 5 5 GLU N N 5 125.223 125.223 117.762 7.461 25927 4900 1 9 . 1 1 5 5 GLU HA H 5 4.324 4.324 3.994 0.330 25927 4901 1 9 . 1 1 5 5 GLU C C 5 176.006 176.006 175.998 0.008 25927 4902 1 9 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.916 -0.527 25927 4903 1 9 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.694 1.725 25927 4904 1 9 . 1 1 5 5 GLU H H 5 8.472 8.472 8.363 0.109 25927 4905 1 9 . 1 1 6 6 VAL N N 6 123.435 123.435 118.124 5.311 25927 4906 1 9 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.990 0.446 25927 4907 1 9 . 1 1 6 6 VAL CA C 6 59.746 59.746 63.926 -4.180 25927 4908 1 9 . 1 1 6 6 VAL CB C 6 32.738 32.738 31.001 1.737 25927 4909 1 9 . 1 1 6 6 VAL H H 6 8.288 8.288 8.037 0.251 25927 4910 1 9 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.588 -0.152 25927 4911 1 9 . 1 1 7 7 PRO C C 7 177.461 177.461 176.552 0.909 25927 4912 1 9 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.357 0.988 25927 4913 1 9 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.774 -0.470 25927 4914 1 9 . 1 1 8 8 GLY N N 8 108.925 108.925 106.459 2.466 25927 4915 1 9 . 1 1 8 8 GLY C C 8 173.995 173.995 173.294 0.701 25927 4916 1 9 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.913 0.513 25927 4917 1 9 . 1 1 8 8 GLY H H 8 8.334 8.334 8.221 0.113 25927 4918 1 9 . 1 1 9 9 LEU N N 9 121.559 121.559 121.077 0.482 25927 4919 1 9 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.750 -0.291 25927 4920 1 9 . 1 1 9 9 LEU C C 9 176.870 176.870 175.766 1.104 25927 4921 1 9 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.387 1.234 25927 4922 1 9 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.247 0.801 25927 4923 1 9 . 1 1 9 9 LEU H H 9 8.150 8.150 8.521 -0.371 25927 4924 1 9 . 1 1 10 10 LEU N N 10 122.690 122.690 122.537 0.153 25927 4925 1 9 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.403 0.758 25927 4926 1 9 . 1 1 10 10 LEU C C 10 177.427 177.427 177.121 0.306 25927 4927 1 9 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.752 -1.890 25927 4928 1 9 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.847 1.800 25927 4929 1 9 . 1 1 10 10 LEU H H 10 8.348 8.348 7.737 0.611 25927 4930 1 9 . 1 1 11 11 THR N N 11 124.118 124.118 119.046 5.072 25927 4931 1 9 . 1 1 11 11 THR HA H 11 4.295 4.295 4.427 -0.132 25927 4932 1 9 . 1 1 11 11 THR C C 11 172.853 172.853 173.901 -1.048 25927 4933 1 9 . 1 1 11 11 THR CA C 11 63.577 63.577 60.891 2.686 25927 4934 1 9 . 1 1 11 11 THR CB C 11 69.325 69.325 71.434 -2.110 25927 4935 1 9 . 1 1 11 11 THR H H 11 9.186 9.186 8.017 1.169 25927 4936 1 9 . 1 1 12 12 ASP N N 12 127.226 127.226 125.410 1.816 25927 4937 1 9 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.801 0.496 25927 4938 1 9 . 1 1 12 12 ASP C C 12 176.060 176.060 175.839 0.221 25927 4939 1 9 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.552 0.227 25927 4940 1 9 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.977 1.067 25927 4941 1 9 . 1 1 12 12 ASP H H 12 8.880 8.880 8.392 0.488 25927 4942 1 9 . 1 1 13 13 HIS N N 13 127.146 127.146 121.993 5.153 25927 4943 1 9 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.491 0.817 25927 4944 1 9 . 1 1 13 13 HIS C C 13 175.365 175.365 173.882 1.483 25927 4945 1 9 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.536 -2.378 25927 4946 1 9 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.774 1.180 25927 4947 1 9 . 1 1 13 13 HIS H H 13 8.867 8.867 7.918 0.949 25927 4948 1 9 . 1 1 14 14 THR N N 14 112.885 112.885 109.852 3.033 25927 4949 1 9 . 1 1 14 14 THR HA H 14 4.522 4.522 4.588 -0.066 25927 4950 1 9 . 1 1 14 14 THR C C 14 174.626 174.626 173.859 0.767 25927 4951 1 9 . 1 1 14 14 THR CA C 14 63.245 63.245 60.845 2.400 25927 4952 1 9 . 1 1 14 14 THR CB C 14 70.178 70.178 71.070 -0.892 25927 4953 1 9 . 1 1 14 14 THR H H 14 8.583 8.583 7.750 0.833 25927 4954 1 9 . 1 1 15 15 VAL N N 15 113.207 113.207 124.143 -10.936 25927 4955 1 9 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.463 0.182 25927 4956 1 9 . 1 1 15 15 VAL C C 15 175.216 175.216 174.198 1.018 25927 4957 1 9 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.512 0.751 25927 4958 1 9 . 1 1 15 15 VAL CB C 15 35.380 35.380 33.148 2.232 25927 4959 1 9 . 1 1 15 15 VAL H H 15 9.104 9.104 8.556 0.548 25927 4960 1 9 . 1 1 16 16 SER N N 16 122.970 122.970 114.908 8.062 25927 4961 1 9 . 1 1 16 16 SER HA H 16 4.196 4.196 4.654 -0.458 25927 4962 1 9 . 1 1 16 16 SER C C 16 174.515 174.515 175.474 -0.959 25927 4963 1 9 . 1 1 16 16 SER CA C 16 57.126 57.126 56.497 0.629 25927 4964 1 9 . 1 1 16 16 SER CB C 16 67.073 67.073 65.115 1.958 25927 4965 1 9 . 1 1 16 16 SER H H 16 9.340 9.340 7.854 1.486 25927 4966 1 9 . 1 1 17 17 SER N N 17 116.643 116.643 122.014 -5.371 25927 4967 1 9 . 1 1 17 17 SER HA H 17 4.157 4.157 4.331 -0.174 25927 4968 1 9 . 1 1 17 17 SER C C 17 176.576 176.576 175.551 1.025 25927 4969 1 9 . 1 1 17 17 SER CA C 17 62.451 62.451 61.302 1.149 25927 4970 1 9 . 1 1 17 17 SER CB C 17 62.539 62.539 63.136 -0.598 25927 4971 1 9 . 1 1 17 17 SER H H 17 8.926 8.926 8.921 0.005 25927 4972 1 9 . 1 1 18 18 ILE N N 18 120.198 120.198 114.129 6.069 25927 4973 1 9 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.435 -0.364 25927 4974 1 9 . 1 1 18 18 ILE C C 18 177.925 177.925 177.591 0.334 25927 4975 1 9 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.319 2.062 25927 4976 1 9 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.472 -0.892 25927 4977 1 9 . 1 1 18 18 ILE H H 18 7.848 7.848 7.575 0.273 25927 4978 1 9 . 1 1 19 19 GLY N N 19 111.905 111.905 109.004 2.901 25927 4979 1 9 . 1 1 19 19 GLY C C 19 176.153 176.153 175.863 0.290 25927 4980 1 9 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.362 -0.522 25927 4981 1 9 . 1 1 19 19 GLY H H 19 7.921 7.921 8.191 -0.270 25927 4982 1 9 . 1 1 20 20 HIS N N 20 120.808 120.808 121.273 -0.465 25927 4983 1 9 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.598 0.164 25927 4984 1 9 . 1 1 20 20 HIS C C 20 178.606 178.606 177.320 1.286 25927 4985 1 9 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.456 -1.598 25927 4986 1 9 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.289 -2.574 25927 4987 1 9 . 1 1 20 20 HIS H H 20 8.842 8.842 8.627 0.215 25927 4988 1 9 . 1 1 21 21 ASP N N 21 121.572 121.572 120.156 1.416 25927 4989 1 9 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.480 0.054 25927 4990 1 9 . 1 1 21 21 ASP C C 21 179.630 179.630 178.387 1.243 25927 4991 1 9 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.953 -0.448 25927 4992 1 9 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.747 -0.982 25927 4993 1 9 . 1 1 21 21 ASP H H 21 8.592 8.592 7.716 0.876 25927 4994 1 9 . 1 1 22 22 PHE N N 22 123.889 123.889 122.602 1.287 25927 4995 1 9 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.097 -0.002 25927 4996 1 9 . 1 1 22 22 PHE C C 22 175.647 175.647 176.652 -1.005 25927 4997 1 9 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.214 0.714 25927 4998 1 9 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.410 -0.263 25927 4999 1 9 . 1 1 22 22 PHE H H 22 8.790 8.790 8.896 -0.106 25927 5000 1 9 . 1 1 23 23 TYR N N 23 119.855 119.855 119.972 -0.117 25927 5001 1 9 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.965 -0.184 25927 5002 1 9 . 1 1 23 23 TYR C C 23 177.585 177.585 177.319 0.266 25927 5003 1 9 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.922 0.051 25927 5004 1 9 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.490 -0.111 25927 5005 1 9 . 1 1 23 23 TYR H H 23 9.008 9.008 7.951 1.057 25927 5006 1 9 . 1 1 24 24 ARG N N 24 120.673 120.673 118.367 2.306 25927 5007 1 9 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.815 -0.097 25927 5008 1 9 . 1 1 24 24 ARG C C 24 177.149 177.149 178.694 -1.545 25927 5009 1 9 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.150 0.210 25927 5010 1 9 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.248 0.186 25927 5011 1 9 . 1 1 24 24 ARG H H 24 8.576 8.576 7.603 0.973 25927 5012 1 9 . 1 1 25 25 ALA N N 25 120.718 120.718 122.756 -2.038 25927 5013 1 9 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.097 0.014 25927 5014 1 9 . 1 1 25 25 ALA C C 25 179.502 179.502 179.069 0.433 25927 5015 1 9 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.828 -0.018 25927 5016 1 9 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.570 0.820 25927 5017 1 9 . 1 1 25 25 ALA H H 25 8.080 8.080 8.416 -0.336 25927 5018 1 9 . 1 1 26 26 PHE N N 26 118.193 118.193 119.108 -0.915 25927 5019 1 9 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.831 -0.333 25927 5020 1 9 . 1 1 26 26 PHE C C 26 177.120 177.120 176.825 0.295 25927 5021 1 9 . 1 1 26 26 PHE CA C 26 61.297 61.297 61.151 0.146 25927 5022 1 9 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.217 0.690 25927 5023 1 9 . 1 1 26 26 PHE H H 26 8.467 8.467 8.216 0.251 25927 5024 1 9 . 1 1 27 27 SER N N 27 112.572 112.572 113.826 -1.254 25927 5025 1 9 . 1 1 27 27 SER HA H 27 3.845 3.845 4.243 -0.398 25927 5026 1 9 . 1 1 27 27 SER C C 27 176.828 176.828 176.441 0.387 25927 5027 1 9 . 1 1 27 27 SER CA C 27 61.656 61.656 61.015 0.641 25927 5028 1 9 . 1 1 27 27 SER CB C 27 62.952 62.952 62.847 0.105 25927 5029 1 9 . 1 1 27 27 SER H H 27 8.477 8.477 8.009 0.468 25927 5030 1 9 . 1 1 28 28 ASP N N 28 119.022 119.022 121.518 -2.496 25927 5031 1 9 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.495 -0.071 25927 5032 1 9 . 1 1 28 28 ASP C C 28 177.325 177.325 177.334 -0.009 25927 5033 1 9 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.384 0.273 25927 5034 1 9 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.934 0.340 25927 5035 1 9 . 1 1 28 28 ASP H H 28 8.019 8.019 8.074 -0.055 25927 5036 1 9 . 1 1 29 29 LYS N N 29 115.330 115.330 115.294 0.036 25927 5037 1 9 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.326 0.033 25927 5038 1 9 . 1 1 29 29 LYS C C 29 175.910 175.910 176.327 -0.417 25927 5039 1 9 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.244 -0.080 25927 5040 1 9 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.745 2.565 25927 5041 1 9 . 1 1 29 29 LYS H H 29 6.910 6.910 7.498 -0.588 25927 5042 1 9 . 1 1 30 30 TRP N N 30 122.847 122.847 124.199 -1.352 25927 5043 1 9 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.078 0.099 25927 5044 1 9 . 1 1 30 30 TRP C C 30 175.188 175.188 175.265 -0.077 25927 5045 1 9 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.618 -0.577 25927 5046 1 9 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.784 0.136 25927 5047 1 9 . 1 1 30 30 TRP H H 30 7.638 7.638 7.614 0.024 25927 5048 1 9 . 1 1 31 31 GLU N N 31 128.182 128.182 125.701 2.481 25927 5049 1 9 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.073 0.086 25927 5050 1 9 . 1 1 31 31 GLU C C 31 173.960 173.960 173.929 0.031 25927 5051 1 9 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.212 -0.097 25927 5052 1 9 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.099 -0.016 25927 5053 1 9 . 1 1 31 31 GLU H H 31 7.426 7.426 7.518 -0.092 25927 5054 1 9 . 1 1 32 32 SER N N 32 115.672 115.672 119.012 -3.340 25927 5055 1 9 . 1 1 32 32 SER HA H 32 4.100 4.100 4.562 -0.462 25927 5056 1 9 . 1 1 32 32 SER C C 32 173.864 173.864 173.651 0.213 25927 5057 1 9 . 1 1 32 32 SER CA C 32 57.344 57.344 57.307 0.037 25927 5058 1 9 . 1 1 32 32 SER CB C 32 64.220 64.220 65.544 -1.324 25927 5059 1 9 . 1 1 32 32 SER H H 32 7.276 7.276 7.910 -0.634 25927 5060 1 9 . 1 1 33 33 ASP N N 33 123.759 123.759 120.780 2.979 25927 5061 1 9 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.600 0.023 25927 5062 1 9 . 1 1 33 33 ASP C C 33 176.175 176.175 176.414 -0.239 25927 5063 1 9 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.722 -0.593 25927 5064 1 9 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.487 -0.877 25927 5065 1 9 . 1 1 33 33 ASP H H 33 8.429 8.429 8.627 -0.198 25927 5066 1 9 . 1 1 34 34 TYR N N 34 122.283 122.283 118.292 3.991 25927 5067 1 9 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.664 -0.090 25927 5068 1 9 . 1 1 34 34 TYR C C 34 177.025 177.025 176.367 0.658 25927 5069 1 9 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.586 1.231 25927 5070 1 9 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.231 -0.097 25927 5071 1 9 . 1 1 34 34 TYR H H 34 8.649 8.649 7.789 0.860 25927 5072 1 9 . 1 1 35 35 THR N N 35 116.852 116.852 112.991 3.861 25927 5073 1 9 . 1 1 35 35 THR HA H 35 4.311 4.311 4.111 0.200 25927 5074 1 9 . 1 1 35 35 THR C C 35 174.704 174.704 174.315 0.389 25927 5075 1 9 . 1 1 35 35 THR CA C 35 61.364 61.364 62.920 -1.556 25927 5076 1 9 . 1 1 35 35 THR CB C 35 69.454 69.454 68.764 0.690 25927 5077 1 9 . 1 1 35 35 THR H H 35 8.067 8.067 8.486 -0.419 25927 5078 1 9 . 1 1 36 36 GLY N N 36 107.698 107.698 107.328 0.370 25927 5079 1 9 . 1 1 36 36 GLY C C 36 171.455 171.455 174.214 -2.759 25927 5080 1 9 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.067 -0.549 25927 5081 1 9 . 1 1 36 36 GLY H H 36 5.732 5.732 6.560 -0.828 25927 5082 1 9 . 1 1 37 37 ASN N N 37 117.424 117.424 118.942 -1.518 25927 5083 1 9 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.721 0.264 25927 5084 1 9 . 1 1 37 37 ASN C C 37 175.393 175.393 173.686 1.707 25927 5085 1 9 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.294 0.539 25927 5086 1 9 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.255 3.257 25927 5087 1 9 . 1 1 37 37 ASN H H 37 8.346 8.346 8.510 -0.164 25927 5088 1 9 . 1 1 38 38 LEU N N 38 126.809 126.809 118.584 8.225 25927 5089 1 9 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.647 -0.649 25927 5090 1 9 . 1 1 38 38 LEU C C 38 175.770 175.770 175.345 0.425 25927 5091 1 9 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.836 2.178 25927 5092 1 9 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.589 -0.523 25927 5093 1 9 . 1 1 38 38 LEU H H 38 8.469 8.469 7.784 0.685 25927 5094 1 9 . 1 1 39 39 THR N N 39 119.369 119.369 114.174 5.195 25927 5095 1 9 . 1 1 39 39 THR HA H 39 4.799 4.799 4.915 -0.116 25927 5096 1 9 . 1 1 39 39 THR C C 39 172.224 172.224 172.699 -0.475 25927 5097 1 9 . 1 1 39 39 THR CA C 39 61.958 61.958 60.524 1.434 25927 5098 1 9 . 1 1 39 39 THR CB C 39 70.327 70.327 72.129 -1.802 25927 5099 1 9 . 1 1 39 39 THR H H 39 8.849 8.849 8.904 -0.055 25927 5100 1 9 . 1 1 40 40 ILE N N 40 125.490 125.490 123.888 1.602 25927 5101 1 9 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.348 0.172 25927 5102 1 9 . 1 1 40 40 ILE C C 40 173.125 173.125 173.726 -0.601 25927 5103 1 9 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.387 0.794 25927 5104 1 9 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.061 -2.611 25927 5105 1 9 . 1 1 40 40 ILE H H 40 8.562 8.562 7.936 0.626 25927 5106 1 9 . 1 1 41 41 ASN N N 41 124.656 124.656 124.233 0.423 25927 5107 1 9 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.707 -0.807 25927 5108 1 9 . 1 1 41 41 ASN C C 41 173.445 173.445 174.119 -0.674 25927 5109 1 9 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.585 0.494 25927 5110 1 9 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.288 -0.172 25927 5111 1 9 . 1 1 41 41 ASN H H 41 9.173 9.173 8.784 0.389 25927 5112 1 9 . 1 1 42 42 GLU N N 42 120.095 120.095 121.497 -1.402 25927 5113 1 9 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.285 0.100 25927 5114 1 9 . 1 1 42 42 GLU C C 42 173.971 173.971 175.431 -1.460 25927 5115 1 9 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.621 -0.491 25927 5116 1 9 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.306 2.151 25927 5117 1 9 . 1 1 42 42 GLU H H 42 7.741 7.741 8.226 -0.485 25927 5118 1 9 . 1 1 43 43 ARG N N 43 127.178 127.178 120.569 6.609 25927 5119 1 9 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.803 0.230 25927 5120 1 9 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.646 0.049 25927 5121 1 9 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.692 -0.204 25927 5122 1 9 . 1 1 43 43 ARG H H 43 9.039 9.039 8.629 0.410 25927 5123 1 9 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.977 -0.250 25927 5124 1 9 . 1 1 44 44 PRO C C 44 176.335 176.335 176.248 0.087 25927 5125 1 9 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.244 1.098 25927 5126 1 9 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.554 0.120 25927 5127 1 9 . 1 1 45 45 SER N N 45 117.089 117.089 119.442 -2.353 25927 5128 1 9 . 1 1 45 45 SER HA H 45 4.837 4.837 4.707 0.130 25927 5129 1 9 . 1 1 45 45 SER C C 45 174.334 174.334 174.941 -0.607 25927 5130 1 9 . 1 1 45 45 SER CA C 45 56.688 56.688 57.713 -1.025 25927 5131 1 9 . 1 1 45 45 SER CB C 45 64.628 64.628 65.136 -0.508 25927 5132 1 9 . 1 1 45 45 SER H H 45 8.497 8.497 8.938 -0.441 25927 5133 1 9 . 1 1 46 46 ALA N N 46 126.901 126.901 130.405 -3.504 25927 5134 1 9 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.310 -0.088 25927 5135 1 9 . 1 1 46 46 ALA C C 46 178.171 178.171 178.528 -0.357 25927 5136 1 9 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.029 0.059 25927 5137 1 9 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.599 -0.007 25927 5138 1 9 . 1 1 46 46 ALA H H 46 8.780 8.780 8.835 -0.055 25927 5139 1 9 . 1 1 47 47 ARG N N 47 117.860 117.860 117.445 0.415 25927 5140 1 9 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.131 0.279 25927 5141 1 9 . 1 1 47 47 ARG C C 47 175.674 175.674 176.958 -1.284 25927 5142 1 9 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.331 -2.079 25927 5143 1 9 . 1 1 47 47 ARG CB C 47 30.586 30.586 30.372 0.214 25927 5144 1 9 . 1 1 47 47 ARG H H 47 8.381 8.381 7.954 0.427 25927 5145 1 9 . 1 1 48 48 ALA N N 48 121.099 121.099 117.573 3.526 25927 5146 1 9 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.595 -0.176 25927 5147 1 9 . 1 1 48 48 ALA C C 48 176.874 176.874 175.936 0.938 25927 5148 1 9 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.218 1.050 25927 5149 1 9 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.392 -1.611 25927 5150 1 9 . 1 1 48 48 ALA H H 48 8.012 8.012 7.922 0.090 25927 5151 1 9 . 1 1 49 49 GLY N N 49 106.126 106.126 107.323 -1.197 25927 5152 1 9 . 1 1 49 49 GLY C C 49 172.803 172.803 172.067 0.736 25927 5153 1 9 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.926 -1.436 25927 5154 1 9 . 1 1 49 49 GLY H H 49 7.946 7.946 8.544 -0.598 25927 5155 1 9 . 1 1 50 50 SER N N 50 113.972 113.972 116.234 -2.262 25927 5156 1 9 . 1 1 50 50 SER HA H 50 4.736 4.736 5.146 -0.410 25927 5157 1 9 . 1 1 50 50 SER C C 50 171.367 171.367 172.707 -1.340 25927 5158 1 9 . 1 1 50 50 SER CA C 50 57.165 57.165 56.169 0.996 25927 5159 1 9 . 1 1 50 50 SER CB C 50 66.797 66.797 66.216 0.581 25927 5160 1 9 . 1 1 50 50 SER H H 50 7.631 7.631 8.098 -0.467 25927 5161 1 9 . 1 1 51 51 TRP N N 51 121.787 121.787 123.462 -1.675 25927 5162 1 9 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.062 0.794 25927 5163 1 9 . 1 1 51 51 TRP C C 51 176.055 176.055 175.951 0.104 25927 5164 1 9 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.578 -0.784 25927 5165 1 9 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.374 0.160 25927 5166 1 9 . 1 1 51 51 TRP H H 51 8.588 8.588 8.436 0.152 25927 5167 1 9 . 1 1 52 52 ILE N N 52 126.898 126.898 124.033 2.865 25927 5168 1 9 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.806 0.265 25927 5169 1 9 . 1 1 52 52 ILE C C 52 175.754 175.754 175.060 0.694 25927 5170 1 9 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.586 -1.853 25927 5171 1 9 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.431 -0.076 25927 5172 1 9 . 1 1 52 52 ILE H H 52 8.963 8.963 9.089 -0.126 25927 5173 1 9 . 1 1 53 53 THR N N 53 116.271 116.271 123.680 -7.409 25927 5174 1 9 . 1 1 53 53 THR HA H 53 5.095 5.095 4.786 0.309 25927 5175 1 9 . 1 1 53 53 THR C C 53 173.382 173.382 172.835 0.547 25927 5176 1 9 . 1 1 53 53 THR CA C 53 59.290 59.290 61.763 -2.473 25927 5177 1 9 . 1 1 53 53 THR CB C 53 71.819 71.819 70.838 0.981 25927 5178 1 9 . 1 1 53 53 THR H H 53 8.371 8.371 9.158 -0.787 25927 5179 1 9 . 1 1 54 54 ILE N N 54 124.947 124.947 129.749 -4.802 25927 5180 1 9 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.079 0.104 25927 5181 1 9 . 1 1 54 54 ILE C C 54 175.952 175.952 173.890 2.062 25927 5182 1 9 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.333 2.261 25927 5183 1 9 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.815 -2.198 25927 5184 1 9 . 1 1 54 54 ILE H H 54 9.056 9.056 9.044 0.012 25927 5185 1 9 . 1 1 55 55 THR N N 55 118.298 118.298 123.136 -4.838 25927 5186 1 9 . 1 1 55 55 THR HA H 55 5.458 5.458 5.111 0.347 25927 5187 1 9 . 1 1 55 55 THR C C 55 173.980 173.980 173.579 0.401 25927 5188 1 9 . 1 1 55 55 THR CA C 55 58.717 58.717 59.772 -1.055 25927 5189 1 9 . 1 1 55 55 THR CB C 55 71.839 71.839 71.007 0.831 25927 5190 1 9 . 1 1 55 55 THR H H 55 9.250 9.250 8.884 0.366 25927 5191 1 9 . 1 1 56 56 VAL N N 56 120.047 120.047 126.057 -6.010 25927 5192 1 9 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.693 -0.273 25927 5193 1 9 . 1 1 56 56 VAL C C 56 176.226 176.226 176.519 -0.293 25927 5194 1 9 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.771 -0.730 25927 5195 1 9 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.994 1.767 25927 5196 1 9 . 1 1 56 56 VAL H H 56 8.435 8.435 8.805 -0.370 25927 5197 1 9 . 1 1 57 57 ASN N N 57 125.479 125.479 126.844 -1.365 25927 5198 1 9 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.265 -0.070 25927 5199 1 9 . 1 1 57 57 ASN C C 57 175.026 175.026 175.564 -0.538 25927 5200 1 9 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.572 -0.876 25927 5201 1 9 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.350 -0.351 25927 5202 1 9 . 1 1 57 57 ASN H H 57 9.199 9.199 9.408 -0.209 25927 5203 1 9 . 1 1 58 58 GLN N N 58 116.897 116.897 116.270 0.627 25927 5204 1 9 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.486 -0.300 25927 5205 1 9 . 1 1 58 58 GLN C C 58 175.237 175.237 174.763 0.474 25927 5206 1 9 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.489 1.350 25927 5207 1 9 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.070 -2.487 25927 5208 1 9 . 1 1 58 58 GLN H H 58 8.576 8.576 8.247 0.329 25927 5209 1 9 . 1 1 59 59 ASP N N 59 122.465 122.465 122.840 -0.375 25927 5210 1 9 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.892 -0.176 25927 5211 1 9 . 1 1 59 59 ASP C C 59 175.302 175.302 174.486 0.816 25927 5212 1 9 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.747 0.386 25927 5213 1 9 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.141 -2.688 25927 5214 1 9 . 1 1 59 59 ASP H H 59 8.343 8.343 8.250 0.093 25927 5215 1 9 . 1 1 60 60 VAL N N 60 124.577 124.577 123.502 1.075 25927 5216 1 9 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.126 -0.249 25927 5217 1 9 . 1 1 60 60 VAL C C 60 176.802 176.802 175.456 1.346 25927 5218 1 9 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.992 0.789 25927 5219 1 9 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.698 -0.964 25927 5220 1 9 . 1 1 60 60 VAL H H 60 8.754 8.754 8.712 0.042 25927 5221 1 9 . 1 1 61 61 ILE N N 61 123.852 123.852 124.045 -0.193 25927 5222 1 9 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.570 -0.051 25927 5223 1 9 . 1 1 61 61 ILE C C 61 175.073 175.073 175.150 -0.077 25927 5224 1 9 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.283 -0.684 25927 5225 1 9 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.134 -1.164 25927 5226 1 9 . 1 1 61 61 ILE H H 61 8.984 8.984 8.094 0.890 25927 5227 1 9 . 1 1 62 62 PHE N N 62 119.927 119.927 121.058 -1.131 25927 5228 1 9 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.874 -0.228 25927 5229 1 9 . 1 1 62 62 PHE C C 62 171.958 171.958 172.758 -0.800 25927 5230 1 9 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.113 1.258 25927 5231 1 9 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.779 0.031 25927 5232 1 9 . 1 1 62 62 PHE H H 62 7.557 7.557 7.613 -0.056 25927 5233 1 9 . 1 1 63 63 GLN N N 63 125.524 125.524 122.745 2.779 25927 5234 1 9 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.806 0.303 25927 5235 1 9 . 1 1 63 63 GLN C C 63 172.837 172.837 173.559 -0.722 25927 5236 1 9 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.891 -0.129 25927 5237 1 9 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.779 -0.099 25927 5238 1 9 . 1 1 63 63 GLN H H 63 7.389 7.389 7.738 -0.349 25927 5239 1 9 . 1 1 64 64 THR N N 64 115.981 115.981 114.917 1.064 25927 5240 1 9 . 1 1 64 64 THR HA H 64 4.428 4.428 4.560 -0.132 25927 5241 1 9 . 1 1 64 64 THR C C 64 169.980 169.980 172.160 -2.180 25927 5242 1 9 . 1 1 64 64 THR CA C 64 60.555 60.555 61.034 -0.479 25927 5243 1 9 . 1 1 64 64 THR CB C 64 69.083 69.083 71.830 -2.747 25927 5244 1 9 . 1 1 64 64 THR H H 64 8.588 8.588 8.752 -0.164 25927 5245 1 9 . 1 1 65 65 PHE N N 65 125.997 125.997 123.635 2.362 25927 5246 1 9 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.601 -0.187 25927 5247 1 9 . 1 1 65 65 PHE C C 65 173.940 173.940 174.505 -0.565 25927 5248 1 9 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.199 0.051 25927 5249 1 9 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.162 0.551 25927 5250 1 9 . 1 1 65 65 PHE H H 65 8.054 8.054 8.321 -0.267 25927 5251 1 9 . 1 1 66 66 LEU N N 66 127.935 127.935 125.717 2.218 25927 5252 1 9 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.567 -0.115 25927 5253 1 9 . 1 1 66 66 LEU C C 66 174.502 174.502 175.228 -0.726 25927 5254 1 9 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.477 -0.868 25927 5255 1 9 . 1 1 66 66 LEU H H 66 8.383 8.383 8.564 -0.181 25927 5256 1 9 . 1 1 67 67 PHE N N 67 123.162 123.162 119.216 3.946 25927 5257 1 9 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.479 -0.855 25927 5258 1 9 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.708 -1.581 25927 5259 1 9 . 1 1 67 67 PHE H H 67 8.285 8.285 8.810 -0.525 25927 5260 1 9 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.532 -0.085 25927 5261 1 9 . 1 1 68 68 PRO C C 68 175.918 175.918 176.904 -0.986 25927 5262 1 9 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.035 -2.412 25927 5263 1 9 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.340 -0.119 25927 5264 1 9 . 1 1 69 69 LEU N N 69 121.360 121.360 119.126 2.234 25927 5265 1 9 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.452 -0.258 25927 5266 1 9 . 1 1 69 69 LEU CA C 69 55.251 55.251 54.932 0.319 25927 5267 1 9 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.119 -1.442 25927 5268 1 9 . 1 1 69 69 LEU H H 69 8.300 8.300 8.219 0.081 25927 5269 1 9 . 1 1 70 70 LYS N N 70 123.012 123.012 118.827 4.185 25927 5270 1 9 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.563 0.137 25927 5271 1 9 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.602 -3.882 25927 5272 1 9 . 1 1 70 70 LYS H H 70 8.156 8.156 7.531 0.625 25927 5273 1 9 . 1 1 71 71 ARG N N 71 125.250 125.250 120.562 4.688 25927 5274 1 9 . 1 1 71 71 ARG C C 71 179.581 179.581 177.079 2.502 25927 5275 1 9 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.176 1.042 25927 5276 1 9 . 1 1 71 71 ARG H H 71 8.279 8.279 8.812 -0.533 25927 5277 1 9 . 1 1 72 72 ASP N N 72 119.355 119.355 120.025 -0.670 25927 5278 1 9 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.546 0.200 25927 5279 1 9 . 1 1 72 72 ASP C C 72 177.124 177.124 177.217 -0.093 25927 5280 1 9 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.862 -0.189 25927 5281 1 9 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.544 -0.496 25927 5282 1 9 . 1 1 72 72 ASP H H 72 8.182 8.182 8.322 -0.140 25927 5283 1 9 . 1 1 73 73 PHE N N 73 122.846 122.846 121.895 0.951 25927 5284 1 9 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.116 0.014 25927 5285 1 9 . 1 1 73 73 PHE C C 73 176.729 176.729 176.811 -0.082 25927 5286 1 9 . 1 1 73 73 PHE CA C 73 63.022 63.022 61.943 1.079 25927 5287 1 9 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.252 0.952 25927 5288 1 9 . 1 1 73 73 PHE H H 73 8.197 8.197 8.281 -0.084 25927 5289 1 9 . 1 1 74 74 GLU N N 74 118.652 118.652 118.626 0.026 25927 5290 1 9 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.896 -0.052 25927 5291 1 9 . 1 1 74 74 GLU C C 74 179.310 179.310 178.713 0.597 25927 5292 1 9 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.662 0.989 25927 5293 1 9 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.416 -0.767 25927 5294 1 9 . 1 1 74 74 GLU H H 74 9.098 9.098 8.954 0.144 25927 5295 1 9 . 1 1 75 75 LYS N N 75 117.836 117.836 119.508 -1.672 25927 5296 1 9 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.091 -0.012 25927 5297 1 9 . 1 1 75 75 LYS C C 75 179.312 179.312 179.344 -0.032 25927 5298 1 9 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.410 -0.130 25927 5299 1 9 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.211 0.133 25927 5300 1 9 . 1 1 75 75 LYS H H 75 8.078 8.078 7.721 0.357 25927 5301 1 9 . 1 1 76 76 THR N N 76 118.581 118.581 117.560 1.021 25927 5302 1 9 . 1 1 76 76 THR HA H 76 4.168 4.168 4.153 0.015 25927 5303 1 9 . 1 1 76 76 THR C C 76 175.873 175.873 176.801 -0.928 25927 5304 1 9 . 1 1 76 76 THR CA C 76 67.009 67.009 66.916 0.093 25927 5305 1 9 . 1 1 76 76 THR CB C 76 68.404 68.404 68.574 -0.170 25927 5306 1 9 . 1 1 76 76 THR H H 76 8.031 8.031 8.380 -0.349 25927 5307 1 9 . 1 1 77 77 VAL N N 77 122.994 122.994 121.743 1.251 25927 5308 1 9 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.549 -0.157 25927 5309 1 9 . 1 1 77 77 VAL C C 77 177.137 177.137 177.585 -0.448 25927 5310 1 9 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.913 0.542 25927 5311 1 9 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.252 0.321 25927 5312 1 9 . 1 1 77 77 VAL H H 77 7.999 7.999 8.151 -0.152 25927 5313 1 9 . 1 1 78 78 VAL N N 78 117.994 117.994 118.909 -0.915 25927 5314 1 9 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.499 0.049 25927 5315 1 9 . 1 1 78 78 VAL C C 78 177.830 177.830 177.548 0.282 25927 5316 1 9 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.434 0.840 25927 5317 1 9 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.290 0.453 25927 5318 1 9 . 1 1 78 78 VAL H H 78 7.745 7.745 7.969 -0.224 25927 5319 1 9 . 1 1 79 79 ALA N N 79 120.460 120.460 121.226 -0.766 25927 5320 1 9 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.073 0.107 25927 5321 1 9 . 1 1 79 79 ALA C C 79 176.512 176.512 179.158 -2.646 25927 5322 1 9 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.934 0.167 25927 5323 1 9 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.113 0.057 25927 5324 1 9 . 1 1 79 79 ALA H H 79 7.844 7.844 8.445 -0.601 25927 5325 1 9 . 1 1 80 80 ALA N N 80 119.351 119.351 120.648 -1.297 25927 5326 1 9 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.773 -0.777 25927 5327 1 9 . 1 1 80 80 ALA C C 80 180.805 180.805 179.464 1.341 25927 5328 1 9 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.940 -0.283 25927 5329 1 9 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.499 0.859 25927 5330 1 9 . 1 1 80 80 ALA H H 80 8.178 8.178 8.097 0.081 25927 5331 1 9 . 1 1 81 81 LEU N N 81 123.041 123.041 119.477 3.564 25927 5332 1 9 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.029 -0.165 25927 5333 1 9 . 1 1 81 81 LEU C C 81 179.526 179.526 179.086 0.440 25927 5334 1 9 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.764 1.121 25927 5335 1 9 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.601 0.950 25927 5336 1 9 . 1 1 81 81 LEU H H 81 8.469 8.469 7.262 1.207 25927 5337 1 9 . 1 1 82 82 ILE N N 82 119.350 119.350 118.719 0.631 25927 5338 1 9 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.638 0.189 25927 5339 1 9 . 1 1 82 82 ILE C C 82 179.375 179.375 178.127 1.248 25927 5340 1 9 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.321 -0.742 25927 5341 1 9 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.646 0.968 25927 5342 1 9 . 1 1 82 82 ILE H H 82 7.988 7.988 7.315 0.673 25927 5343 1 9 . 1 1 83 83 GLN N N 83 118.033 118.033 118.392 -0.359 25927 5344 1 9 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.916 0.277 25927 5345 1 9 . 1 1 83 83 GLN C C 83 179.932 179.932 178.619 1.313 25927 5346 1 9 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.776 0.387 25927 5347 1 9 . 1 1 83 83 GLN CB C 83 28.694 28.694 27.999 0.695 25927 5348 1 9 . 1 1 83 83 GLN H H 83 8.665 8.665 8.192 0.473 25927 5349 1 9 . 1 1 84 84 THR N N 84 118.583 118.583 115.108 3.475 25927 5350 1 9 . 1 1 84 84 THR HA H 84 3.813 3.813 4.055 -0.242 25927 5351 1 9 . 1 1 84 84 THR C C 84 175.824 175.824 176.243 -0.419 25927 5352 1 9 . 1 1 84 84 THR CA C 84 68.515 68.515 67.542 0.973 25927 5353 1 9 . 1 1 84 84 THR CB C 84 67.514 67.514 68.820 -1.306 25927 5354 1 9 . 1 1 84 84 THR H H 84 8.355 8.355 8.175 0.180 25927 5355 1 9 . 1 1 85 85 GLU N N 85 121.547 121.547 120.713 0.834 25927 5356 1 9 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.160 0.013 25927 5357 1 9 . 1 1 85 85 GLU C C 85 178.637 178.637 178.583 0.054 25927 5358 1 9 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.111 1.265 25927 5359 1 9 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.992 0.220 25927 5360 1 9 . 1 1 85 85 GLU H H 85 7.846 7.846 7.839 0.007 25927 5361 1 9 . 1 1 86 86 GLU N N 86 118.203 118.203 119.444 -1.241 25927 5362 1 9 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.032 0.072 25927 5363 1 9 . 1 1 86 86 GLU C C 86 179.080 179.080 178.818 0.262 25927 5364 1 9 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.058 0.626 25927 5365 1 9 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.114 0.444 25927 5366 1 9 . 1 1 86 86 GLU H H 86 8.154 8.154 8.524 -0.370 25927 5367 1 9 . 1 1 87 87 ALA N N 87 121.242 121.242 121.075 0.167 25927 5368 1 9 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.131 0.045 25927 5369 1 9 . 1 1 87 87 ALA C C 87 181.299 181.299 179.224 2.075 25927 5370 1 9 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.833 0.383 25927 5371 1 9 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.683 0.550 25927 5372 1 9 . 1 1 87 87 ALA H H 87 8.181 8.181 7.476 0.705 25927 5373 1 9 . 1 1 88 88 LEU N N 88 119.086 119.086 117.361 1.725 25927 5374 1 9 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.074 -0.077 25927 5375 1 9 . 1 1 88 88 LEU C C 88 179.526 179.526 178.543 0.983 25927 5376 1 9 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.187 1.361 25927 5377 1 9 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.418 -0.174 25927 5378 1 9 . 1 1 88 88 LEU H H 88 8.379 8.379 7.496 0.883 25927 5379 1 9 . 1 1 89 89 ASN N N 89 119.429 119.429 118.478 0.951 25927 5380 1 9 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.441 0.126 25927 5381 1 9 . 1 1 89 89 ASN C C 89 177.117 177.117 176.889 0.228 25927 5382 1 9 . 1 1 89 89 ASN CA C 89 56.004 56.004 57.060 -1.056 25927 5383 1 9 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.546 -0.197 25927 5384 1 9 . 1 1 89 89 ASN H H 89 8.271 8.271 8.585 -0.314 25927 5385 1 9 . 1 1 90 90 ARG N N 90 118.735 118.735 117.374 1.361 25927 5386 1 9 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.366 -0.213 25927 5387 1 9 . 1 1 90 90 ARG C C 90 177.836 177.836 177.047 0.789 25927 5388 1 9 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.762 1.812 25927 5389 1 9 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.366 -0.136 25927 5390 1 9 . 1 1 90 90 ARG H H 90 8.010 8.010 8.041 -0.031 25927 5391 1 9 . 1 1 91 91 ARG N N 91 118.976 118.976 118.804 0.172 25927 5392 1 9 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.237 -0.028 25927 5393 1 9 . 1 1 91 91 ARG C C 91 177.455 177.455 177.856 -0.401 25927 5394 1 9 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.612 -0.586 25927 5395 1 9 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.234 -0.447 25927 5396 1 9 . 1 1 91 91 ARG H H 91 7.833 7.833 7.701 0.132 25927 5397 1 9 . 1 1 92 92 GLN N N 92 118.834 118.834 115.072 3.762 25927 5398 1 9 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.491 -0.234 25927 5399 1 9 . 1 1 92 92 GLN C C 92 177.362 177.362 177.855 -0.493 25927 5400 1 9 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.732 0.756 25927 5401 1 9 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.563 -1.431 25927 5402 1 9 . 1 1 92 92 GLN H H 92 7.988 7.988 8.151 -0.163 25927 5403 1 9 . 1 1 93 93 ILE N N 93 120.499 120.499 122.089 -1.590 25927 5404 1 9 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.769 0.247 25927 5405 1 9 . 1 1 93 93 ILE C C 93 177.002 177.002 176.977 0.025 25927 5406 1 9 . 1 1 93 93 ILE CA C 93 62.861 62.861 65.358 -2.497 25927 5407 1 9 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.328 1.240 25927 5408 1 9 . 1 1 93 93 ILE H H 93 7.976 7.976 7.809 0.167 25927 5409 1 9 . 1 1 94 94 ASN N N 94 120.172 120.172 118.921 1.251 25927 5410 1 9 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.331 0.308 25927 5411 1 9 . 1 1 94 94 ASN C C 94 176.336 176.336 177.773 -1.437 25927 5412 1 9 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.852 -2.535 25927 5413 1 9 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.484 0.116 25927 5414 1 9 . 1 1 94 94 ASN H H 94 8.272 8.272 8.069 0.203 25927 5415 1 9 . 1 1 95 95 GLN N N 95 120.288 120.288 118.902 1.386 25927 5416 1 9 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.147 0.033 25927 5417 1 9 . 1 1 95 95 GLN C C 95 176.701 176.701 177.897 -1.196 25927 5418 1 9 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.599 -1.420 25927 5419 1 9 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.768 0.228 25927 5420 1 9 . 1 1 95 95 GLN H H 95 8.303 8.303 7.896 0.407 25927 5421 1 9 . 1 1 96 96 ALA N N 96 123.219 123.219 123.441 -0.222 25927 5422 1 9 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.087 0.174 25927 5423 1 9 . 1 1 96 96 ALA C C 96 178.429 178.429 179.669 -1.240 25927 5424 1 9 . 1 1 96 96 ALA CA C 96 53.432 53.432 55.267 -1.835 25927 5425 1 9 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.672 0.101 25927 5426 1 9 . 1 1 96 96 ALA H H 96 8.112 8.112 7.528 0.584 25927 5427 1 9 . 1 1 97 97 LEU N N 97 119.452 119.452 116.849 2.603 25927 5428 1 9 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.144 0.157 25927 5429 1 9 . 1 1 97 97 LEU C C 97 177.834 177.834 178.093 -0.259 25927 5430 1 9 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.891 -2.145 25927 5431 1 9 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.429 0.861 25927 5432 1 9 . 1 1 97 97 LEU H H 97 7.932 7.932 8.373 -0.441 25927 5433 1 9 . 1 1 98 98 LEU N N 98 121.124 121.124 118.594 2.530 25927 5434 1 9 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.099 0.278 25927 5435 1 9 . 1 1 98 98 LEU C C 98 177.729 177.729 179.239 -1.510 25927 5436 1 9 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.312 -1.886 25927 5437 1 9 . 1 1 98 98 LEU CB C 98 42.406 42.406 41.997 0.409 25927 5438 1 9 . 1 1 98 98 LEU H H 98 7.947 7.947 7.443 0.504 25927 5439 1 9 . 1 1 99 99 SER N N 99 115.913 115.913 114.040 1.873 25927 5440 1 9 . 1 1 99 99 SER HA H 99 4.525 4.525 4.277 0.248 25927 5441 1 9 . 1 1 99 99 SER C C 99 174.980 174.980 175.718 -0.738 25927 5442 1 9 . 1 1 99 99 SER CA C 99 58.478 58.478 60.719 -2.241 25927 5443 1 9 . 1 1 99 99 SER CB C 99 63.839 63.839 63.228 0.611 25927 5444 1 9 . 1 1 99 99 SER H H 99 8.238 8.238 8.414 -0.176 25927 5445 1 9 . 1 1 100 100 THR N N 100 114.610 114.610 117.695 -3.085 25927 5446 1 9 . 1 1 100 100 THR HA H 100 4.361 4.361 4.548 -0.187 25927 5447 1 9 . 1 1 100 100 THR C C 100 175.368 175.368 174.982 0.386 25927 5448 1 9 . 1 1 100 100 THR CA C 100 62.195 62.195 62.203 -0.008 25927 5449 1 9 . 1 1 100 100 THR CB C 100 69.794 69.794 68.417 1.377 25927 5450 1 9 . 1 1 100 100 THR H H 100 8.140 8.140 7.504 0.636 25927 5451 1 9 . 1 1 101 101 GLY N N 101 110.650 110.650 111.116 -0.466 25927 5452 1 9 . 1 1 101 101 GLY C C 101 173.935 173.935 174.143 -0.208 25927 5453 1 9 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.486 1.007 25927 5454 1 9 . 1 1 101 101 GLY H H 101 8.353 8.353 7.728 0.625 25927 5455 1 9 . 1 1 102 102 ASP N N 102 120.512 120.512 120.401 0.111 25927 5456 1 9 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.672 -0.069 25927 5457 1 9 . 1 1 102 102 ASP C C 102 176.419 176.419 177.432 -1.013 25927 5458 1 9 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.494 -0.203 25927 5459 1 9 . 1 1 102 102 ASP CB C 102 41.277 41.277 41.901 -0.624 25927 5460 1 9 . 1 1 102 102 ASP H H 102 8.204 8.204 7.599 0.605 25927 5461 1 9 . 1 1 103 103 LEU N N 103 122.331 122.331 119.469 2.862 25927 5462 1 9 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.416 -0.158 25927 5463 1 9 . 1 1 103 103 LEU C C 103 177.394 177.394 175.610 1.784 25927 5464 1 9 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.539 -0.011 25927 5465 1 9 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.706 -0.478 25927 5466 1 9 . 1 1 103 103 LEU H H 103 8.170 8.170 8.135 0.035 25927 5467 1 9 . 1 1 104 104 ALA N N 104 123.139 123.139 123.466 -0.327 25927 5468 1 9 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.537 -0.337 25927 5469 1 9 . 1 1 104 104 ALA C C 104 177.730 177.730 177.071 0.659 25927 5470 1 9 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.369 0.405 25927 5471 1 9 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.111 -0.106 25927 5472 1 9 . 1 1 104 104 ALA H H 104 8.150 8.150 8.454 -0.304 25927 5473 1 9 . 1 1 105 105 HIS N N 105 117.105 117.105 118.567 -1.462 25927 5474 1 9 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.752 -0.111 25927 5475 1 9 . 1 1 105 105 HIS C C 105 174.414 174.414 174.637 -0.223 25927 5476 1 9 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.826 -2.306 25927 5477 1 9 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.510 -1.232 25927 5478 1 9 . 1 1 105 105 HIS H H 105 8.239 8.239 8.309 -0.070 25927 5479 1 9 . 1 1 106 106 ASP N N 106 121.315 121.315 118.061 3.254 25927 5480 1 9 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.716 -0.113 25927 5481 1 9 . 1 1 106 106 ASP C C 106 176.370 176.370 176.331 0.039 25927 5482 1 9 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.024 0.295 25927 5483 1 9 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.634 0.780 25927 5484 1 9 . 1 1 106 106 ASP H H 106 8.298 8.298 8.333 -0.035 25927 5485 1 9 . 1 1 107 107 GLU N N 107 121.228 121.228 119.502 1.726 25927 5486 1 9 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.081 0.027 25927 5487 1 9 . 1 1 107 107 GLU C C 107 176.248 176.248 175.848 0.400 25927 5488 1 9 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.613 -0.421 25927 5489 1 9 . 1 1 107 107 GLU CB C 107 30.095 30.095 29.857 0.238 25927 5490 1 9 . 1 1 107 107 GLU H H 107 8.536 8.536 8.916 -0.380 25927 5491 1 10 . 1 1 2 2 VAL N N 2 119.413 119.413 119.090 0.323 25927 5492 1 10 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.374 -0.242 25927 5493 1 10 . 1 1 2 2 VAL C C 2 175.957 175.957 175.342 0.615 25927 5494 1 10 . 1 1 2 2 VAL CA C 2 62.517 62.517 63.187 -0.670 25927 5495 1 10 . 1 1 2 2 VAL CB C 2 32.676 32.676 32.703 -0.027 25927 5496 1 10 . 1 1 2 2 VAL H H 2 8.453 8.453 8.315 0.138 25927 5497 1 10 . 1 1 3 3 GLU N N 3 125.255 125.255 121.478 3.777 25927 5498 1 10 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.685 -0.337 25927 5499 1 10 . 1 1 3 3 GLU C C 3 176.154 176.154 175.184 0.970 25927 5500 1 10 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.385 0.084 25927 5501 1 10 . 1 1 3 3 GLU CB C 3 30.382 30.382 30.515 -0.133 25927 5502 1 10 . 1 1 3 3 GLU H H 3 8.587 8.587 7.973 0.614 25927 5503 1 10 . 1 1 4 4 VAL N N 4 121.132 121.132 122.831 -1.699 25927 5504 1 10 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.270 -0.149 25927 5505 1 10 . 1 1 4 4 VAL C C 4 175.762 175.762 176.387 -0.625 25927 5506 1 10 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.568 0.460 25927 5507 1 10 . 1 1 4 4 VAL CB C 4 33.056 33.056 35.474 -2.417 25927 5508 1 10 . 1 1 4 4 VAL H H 4 8.172 8.172 8.248 -0.076 25927 5509 1 10 . 1 1 5 5 GLU N N 5 125.223 125.223 124.516 0.707 25927 5510 1 10 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.203 0.121 25927 5511 1 10 . 1 1 5 5 GLU C C 5 176.006 176.006 175.883 0.123 25927 5512 1 10 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.765 -0.376 25927 5513 1 10 . 1 1 5 5 GLU CB C 5 30.419 30.419 27.751 2.668 25927 5514 1 10 . 1 1 5 5 GLU H H 5 8.472 8.472 8.789 -0.317 25927 5515 1 10 . 1 1 6 6 VAL N N 6 123.435 123.435 121.289 2.146 25927 5516 1 10 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.923 0.513 25927 5517 1 10 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.802 -5.056 25927 5518 1 10 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.502 2.236 25927 5519 1 10 . 1 1 6 6 VAL H H 6 8.288 8.288 8.096 0.192 25927 5520 1 10 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.594 -0.158 25927 5521 1 10 . 1 1 7 7 PRO C C 7 177.461 177.461 176.501 0.960 25927 5522 1 10 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.358 0.988 25927 5523 1 10 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.774 -0.470 25927 5524 1 10 . 1 1 8 8 GLY N N 8 108.925 108.925 106.489 2.436 25927 5525 1 10 . 1 1 8 8 GLY C C 8 173.995 173.995 173.317 0.678 25927 5526 1 10 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.874 0.552 25927 5527 1 10 . 1 1 8 8 GLY H H 8 8.334 8.334 8.223 0.111 25927 5528 1 10 . 1 1 9 9 LEU N N 9 121.559 121.559 121.064 0.495 25927 5529 1 10 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.763 -0.303 25927 5530 1 10 . 1 1 9 9 LEU C C 9 176.870 176.870 175.780 1.090 25927 5531 1 10 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.355 1.266 25927 5532 1 10 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.201 0.847 25927 5533 1 10 . 1 1 9 9 LEU H H 9 8.150 8.150 8.512 -0.362 25927 5534 1 10 . 1 1 10 10 LEU N N 10 122.690 122.690 122.581 0.109 25927 5535 1 10 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.418 0.743 25927 5536 1 10 . 1 1 10 10 LEU C C 10 177.427 177.427 177.193 0.234 25927 5537 1 10 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.752 -1.890 25927 5538 1 10 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.822 1.826 25927 5539 1 10 . 1 1 10 10 LEU H H 10 8.348 8.348 7.756 0.592 25927 5540 1 10 . 1 1 11 11 THR N N 11 124.118 124.118 119.612 4.506 25927 5541 1 10 . 1 1 11 11 THR HA H 11 4.295 4.295 4.557 -0.262 25927 5542 1 10 . 1 1 11 11 THR C C 11 172.853 172.853 174.012 -1.159 25927 5543 1 10 . 1 1 11 11 THR CA C 11 63.577 63.577 61.291 2.286 25927 5544 1 10 . 1 1 11 11 THR CB C 11 69.325 69.325 71.511 -2.186 25927 5545 1 10 . 1 1 11 11 THR H H 11 9.186 9.186 8.113 1.073 25927 5546 1 10 . 1 1 12 12 ASP N N 12 127.226 127.226 126.460 0.766 25927 5547 1 10 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.862 0.435 25927 5548 1 10 . 1 1 12 12 ASP C C 12 176.060 176.060 175.643 0.417 25927 5549 1 10 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.796 -0.017 25927 5550 1 10 . 1 1 12 12 ASP CB C 12 39.044 39.044 38.300 0.744 25927 5551 1 10 . 1 1 12 12 ASP H H 12 8.880 8.880 8.512 0.368 25927 5552 1 10 . 1 1 13 13 HIS N N 13 127.146 127.146 119.370 7.776 25927 5553 1 10 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.275 1.033 25927 5554 1 10 . 1 1 13 13 HIS C C 13 175.365 175.365 174.872 0.493 25927 5555 1 10 . 1 1 13 13 HIS CA C 13 53.158 53.158 57.369 -4.211 25927 5556 1 10 . 1 1 13 13 HIS CB C 13 28.954 28.954 30.257 -1.303 25927 5557 1 10 . 1 1 13 13 HIS H H 13 8.867 8.867 8.012 0.855 25927 5558 1 10 . 1 1 14 14 THR N N 14 112.885 112.885 109.322 3.563 25927 5559 1 10 . 1 1 14 14 THR HA H 14 4.522 4.522 4.370 0.152 25927 5560 1 10 . 1 1 14 14 THR C C 14 174.626 174.626 174.070 0.556 25927 5561 1 10 . 1 1 14 14 THR CA C 14 63.245 63.245 61.337 1.909 25927 5562 1 10 . 1 1 14 14 THR CB C 14 70.178 70.178 69.632 0.546 25927 5563 1 10 . 1 1 14 14 THR H H 14 8.583 8.583 7.545 1.038 25927 5564 1 10 . 1 1 15 15 VAL N N 15 113.207 113.207 122.717 -9.510 25927 5565 1 10 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.309 0.336 25927 5566 1 10 . 1 1 15 15 VAL C C 15 175.216 175.216 174.390 0.826 25927 5567 1 10 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.528 0.735 25927 5568 1 10 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.800 2.580 25927 5569 1 10 . 1 1 15 15 VAL H H 15 9.104 9.104 8.431 0.673 25927 5570 1 10 . 1 1 16 16 SER N N 16 122.970 122.970 115.382 7.588 25927 5571 1 10 . 1 1 16 16 SER HA H 16 4.196 4.196 4.711 -0.515 25927 5572 1 10 . 1 1 16 16 SER C C 16 174.515 174.515 175.760 -1.245 25927 5573 1 10 . 1 1 16 16 SER CA C 16 57.126 57.126 56.392 0.734 25927 5574 1 10 . 1 1 16 16 SER CB C 16 67.073 67.073 64.879 2.194 25927 5575 1 10 . 1 1 16 16 SER H H 16 9.340 9.340 7.625 1.715 25927 5576 1 10 . 1 1 17 17 SER N N 17 116.643 116.643 122.099 -5.456 25927 5577 1 10 . 1 1 17 17 SER HA H 17 4.157 4.157 4.351 -0.194 25927 5578 1 10 . 1 1 17 17 SER C C 17 176.576 176.576 175.605 0.971 25927 5579 1 10 . 1 1 17 17 SER CA C 17 62.451 62.451 61.023 1.428 25927 5580 1 10 . 1 1 17 17 SER CB C 17 62.539 62.539 62.948 -0.409 25927 5581 1 10 . 1 1 17 17 SER H H 17 8.926 8.926 8.875 0.051 25927 5582 1 10 . 1 1 18 18 ILE N N 18 120.198 120.198 114.650 5.548 25927 5583 1 10 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.478 -0.407 25927 5584 1 10 . 1 1 18 18 ILE C C 18 177.925 177.925 177.667 0.258 25927 5585 1 10 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.040 2.341 25927 5586 1 10 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.447 -0.867 25927 5587 1 10 . 1 1 18 18 ILE H H 18 7.848 7.848 7.520 0.328 25927 5588 1 10 . 1 1 19 19 GLY N N 19 111.905 111.905 108.583 3.322 25927 5589 1 10 . 1 1 19 19 GLY C C 19 176.153 176.153 176.103 0.050 25927 5590 1 10 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.188 -0.348 25927 5591 1 10 . 1 1 19 19 GLY H H 19 7.921 7.921 8.151 -0.230 25927 5592 1 10 . 1 1 20 20 HIS N N 20 120.808 120.808 121.511 -0.703 25927 5593 1 10 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.487 0.275 25927 5594 1 10 . 1 1 20 20 HIS C C 20 178.606 178.606 176.841 1.765 25927 5595 1 10 . 1 1 20 20 HIS CA C 20 57.858 57.858 58.384 -0.526 25927 5596 1 10 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.238 -2.523 25927 5597 1 10 . 1 1 20 20 HIS H H 20 8.842 8.842 8.529 0.313 25927 5598 1 10 . 1 1 21 21 ASP N N 21 121.572 121.572 119.663 1.909 25927 5599 1 10 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.403 0.131 25927 5600 1 10 . 1 1 21 21 ASP C C 21 179.630 179.630 178.618 1.012 25927 5601 1 10 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.509 -0.004 25927 5602 1 10 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.729 -0.964 25927 5603 1 10 . 1 1 21 21 ASP H H 21 8.592 8.592 7.743 0.849 25927 5604 1 10 . 1 1 22 22 PHE N N 22 123.889 123.889 122.632 1.257 25927 5605 1 10 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.133 -0.038 25927 5606 1 10 . 1 1 22 22 PHE C C 22 175.647 175.647 176.647 -1.000 25927 5607 1 10 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.072 0.856 25927 5608 1 10 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.150 -0.003 25927 5609 1 10 . 1 1 22 22 PHE H H 22 8.790 8.790 8.817 -0.027 25927 5610 1 10 . 1 1 23 23 TYR N N 23 119.855 119.855 120.183 -0.328 25927 5611 1 10 . 1 1 23 23 TYR HA H 23 3.781 3.781 4.028 -0.247 25927 5612 1 10 . 1 1 23 23 TYR C C 23 177.585 177.585 177.408 0.177 25927 5613 1 10 . 1 1 23 23 TYR CA C 23 62.973 62.973 63.098 -0.125 25927 5614 1 10 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.625 -0.246 25927 5615 1 10 . 1 1 23 23 TYR H H 23 9.008 9.008 8.009 0.999 25927 5616 1 10 . 1 1 24 24 ARG N N 24 120.673 120.673 118.581 2.092 25927 5617 1 10 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.928 -0.210 25927 5618 1 10 . 1 1 24 24 ARG C C 24 177.149 177.149 178.781 -1.632 25927 5619 1 10 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.306 0.054 25927 5620 1 10 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.292 0.142 25927 5621 1 10 . 1 1 24 24 ARG H H 24 8.576 8.576 7.736 0.840 25927 5622 1 10 . 1 1 25 25 ALA N N 25 120.718 120.718 122.657 -1.939 25927 5623 1 10 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.112 -0.001 25927 5624 1 10 . 1 1 25 25 ALA C C 25 179.502 179.502 179.128 0.374 25927 5625 1 10 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.804 0.006 25927 5626 1 10 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.600 0.790 25927 5627 1 10 . 1 1 25 25 ALA H H 25 8.080 8.080 8.479 -0.399 25927 5628 1 10 . 1 1 26 26 PHE N N 26 118.193 118.193 119.343 -1.150 25927 5629 1 10 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.877 -0.379 25927 5630 1 10 . 1 1 26 26 PHE C C 26 177.120 177.120 176.839 0.281 25927 5631 1 10 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.595 0.702 25927 5632 1 10 . 1 1 26 26 PHE CB C 26 39.907 39.907 38.982 0.925 25927 5633 1 10 . 1 1 26 26 PHE H H 26 8.467 8.467 8.199 0.268 25927 5634 1 10 . 1 1 27 27 SER N N 27 112.572 112.572 113.940 -1.368 25927 5635 1 10 . 1 1 27 27 SER HA H 27 3.845 3.845 4.249 -0.404 25927 5636 1 10 . 1 1 27 27 SER C C 27 176.828 176.828 176.497 0.331 25927 5637 1 10 . 1 1 27 27 SER CA C 27 61.656 61.656 61.052 0.604 25927 5638 1 10 . 1 1 27 27 SER CB C 27 62.952 62.952 62.875 0.077 25927 5639 1 10 . 1 1 27 27 SER H H 27 8.477 8.477 8.050 0.427 25927 5640 1 10 . 1 1 28 28 ASP N N 28 119.022 119.022 121.505 -2.483 25927 5641 1 10 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.509 -0.085 25927 5642 1 10 . 1 1 28 28 ASP C C 28 177.325 177.325 177.333 -0.008 25927 5643 1 10 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.392 0.265 25927 5644 1 10 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.958 0.316 25927 5645 1 10 . 1 1 28 28 ASP H H 28 8.019 8.019 8.006 0.013 25927 5646 1 10 . 1 1 29 29 LYS N N 29 115.330 115.330 115.660 -0.330 25927 5647 1 10 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.380 -0.021 25927 5648 1 10 . 1 1 29 29 LYS C C 29 175.910 175.910 176.348 -0.438 25927 5649 1 10 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.318 -0.154 25927 5650 1 10 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.670 2.640 25927 5651 1 10 . 1 1 29 29 LYS H H 29 6.910 6.910 7.538 -0.628 25927 5652 1 10 . 1 1 30 30 TRP N N 30 122.847 122.847 123.597 -0.750 25927 5653 1 10 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.103 0.074 25927 5654 1 10 . 1 1 30 30 TRP C C 30 175.188 175.188 175.108 0.080 25927 5655 1 10 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.791 -0.750 25927 5656 1 10 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.596 0.324 25927 5657 1 10 . 1 1 30 30 TRP H H 30 7.638 7.638 7.579 0.059 25927 5658 1 10 . 1 1 31 31 GLU N N 31 128.182 128.182 126.071 2.111 25927 5659 1 10 . 1 1 31 31 GLU HA H 31 4.159 4.159 3.948 0.211 25927 5660 1 10 . 1 1 31 31 GLU C C 31 173.960 173.960 173.378 0.582 25927 5661 1 10 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.494 -0.380 25927 5662 1 10 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.155 -0.072 25927 5663 1 10 . 1 1 31 31 GLU H H 31 7.426 7.426 7.360 0.066 25927 5664 1 10 . 1 1 32 32 SER N N 32 115.672 115.672 117.100 -1.428 25927 5665 1 10 . 1 1 32 32 SER HA H 32 4.100 4.100 4.635 -0.535 25927 5666 1 10 . 1 1 32 32 SER C C 32 173.864 173.864 173.512 0.352 25927 5667 1 10 . 1 1 32 32 SER CA C 32 57.344 57.344 57.650 -0.305 25927 5668 1 10 . 1 1 32 32 SER CB C 32 64.220 64.220 65.212 -0.992 25927 5669 1 10 . 1 1 32 32 SER H H 32 7.276 7.276 7.991 -0.715 25927 5670 1 10 . 1 1 33 33 ASP N N 33 123.759 123.759 121.416 2.343 25927 5671 1 10 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.639 -0.016 25927 5672 1 10 . 1 1 33 33 ASP C C 33 176.175 176.175 176.639 -0.464 25927 5673 1 10 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.752 -0.623 25927 5674 1 10 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.241 -0.631 25927 5675 1 10 . 1 1 33 33 ASP H H 33 8.429 8.429 8.602 -0.173 25927 5676 1 10 . 1 1 34 34 TYR N N 34 122.283 122.283 118.504 3.779 25927 5677 1 10 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.651 -0.077 25927 5678 1 10 . 1 1 34 34 TYR C C 34 177.025 177.025 176.365 0.660 25927 5679 1 10 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.401 1.416 25927 5680 1 10 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.439 -0.305 25927 5681 1 10 . 1 1 34 34 TYR H H 34 8.649 8.649 7.751 0.898 25927 5682 1 10 . 1 1 35 35 THR N N 35 116.852 116.852 112.942 3.910 25927 5683 1 10 . 1 1 35 35 THR HA H 35 4.311 4.311 4.108 0.203 25927 5684 1 10 . 1 1 35 35 THR C C 35 174.704 174.704 174.326 0.378 25927 5685 1 10 . 1 1 35 35 THR CA C 35 61.364 61.364 62.827 -1.462 25927 5686 1 10 . 1 1 35 35 THR CB C 35 69.454 69.454 68.793 0.661 25927 5687 1 10 . 1 1 35 35 THR H H 35 8.067 8.067 8.481 -0.414 25927 5688 1 10 . 1 1 36 36 GLY N N 36 107.698 107.698 107.472 0.226 25927 5689 1 10 . 1 1 36 36 GLY C C 36 171.455 171.455 174.178 -2.723 25927 5690 1 10 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.067 -0.549 25927 5691 1 10 . 1 1 36 36 GLY H H 36 5.732 5.732 6.561 -0.829 25927 5692 1 10 . 1 1 37 37 ASN N N 37 117.424 117.424 118.970 -1.546 25927 5693 1 10 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.712 0.273 25927 5694 1 10 . 1 1 37 37 ASN C C 37 175.393 175.393 173.680 1.713 25927 5695 1 10 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.316 0.517 25927 5696 1 10 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.240 3.273 25927 5697 1 10 . 1 1 37 37 ASN H H 37 8.346 8.346 8.507 -0.161 25927 5698 1 10 . 1 1 38 38 LEU N N 38 126.809 126.809 118.556 8.253 25927 5699 1 10 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.627 -0.629 25927 5700 1 10 . 1 1 38 38 LEU C C 38 175.770 175.770 175.312 0.458 25927 5701 1 10 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.807 2.207 25927 5702 1 10 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.660 -0.594 25927 5703 1 10 . 1 1 38 38 LEU H H 38 8.469 8.469 7.778 0.691 25927 5704 1 10 . 1 1 39 39 THR N N 39 119.369 119.369 114.004 5.365 25927 5705 1 10 . 1 1 39 39 THR HA H 39 4.799 4.799 4.890 -0.091 25927 5706 1 10 . 1 1 39 39 THR C C 39 172.224 172.224 172.644 -0.420 25927 5707 1 10 . 1 1 39 39 THR CA C 39 61.958 61.958 60.584 1.374 25927 5708 1 10 . 1 1 39 39 THR CB C 39 70.327 70.327 72.011 -1.684 25927 5709 1 10 . 1 1 39 39 THR H H 39 8.849 8.849 8.855 -0.006 25927 5710 1 10 . 1 1 40 40 ILE N N 40 125.490 125.490 123.634 1.856 25927 5711 1 10 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.383 0.137 25927 5712 1 10 . 1 1 40 40 ILE C C 40 173.125 173.125 173.778 -0.653 25927 5713 1 10 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.308 0.873 25927 5714 1 10 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.399 -2.949 25927 5715 1 10 . 1 1 40 40 ILE H H 40 8.562 8.562 7.939 0.623 25927 5716 1 10 . 1 1 41 41 ASN N N 41 124.656 124.656 123.964 0.692 25927 5717 1 10 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.238 -0.338 25927 5718 1 10 . 1 1 41 41 ASN C C 41 173.445 173.445 173.643 -0.198 25927 5719 1 10 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.743 0.336 25927 5720 1 10 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.195 -0.079 25927 5721 1 10 . 1 1 41 41 ASN H H 41 9.173 9.173 8.624 0.549 25927 5722 1 10 . 1 1 42 42 GLU N N 42 120.095 120.095 121.987 -1.892 25927 5723 1 10 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.246 0.139 25927 5724 1 10 . 1 1 42 42 GLU C C 42 173.971 173.971 175.230 -1.259 25927 5725 1 10 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.654 -0.524 25927 5726 1 10 . 1 1 42 42 GLU CB C 42 35.457 35.457 32.972 2.485 25927 5727 1 10 . 1 1 42 42 GLU H H 42 7.741 7.741 8.642 -0.901 25927 5728 1 10 . 1 1 43 43 ARG N N 43 127.178 127.178 121.649 5.529 25927 5729 1 10 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.813 0.220 25927 5730 1 10 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.356 0.339 25927 5731 1 10 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.624 -0.136 25927 5732 1 10 . 1 1 43 43 ARG H H 43 9.039 9.039 8.702 0.337 25927 5733 1 10 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.627 0.100 25927 5734 1 10 . 1 1 44 44 PRO C C 44 176.335 176.335 175.864 0.471 25927 5735 1 10 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.787 0.555 25927 5736 1 10 . 1 1 44 44 PRO CB C 44 32.674 32.674 31.949 0.725 25927 5737 1 10 . 1 1 45 45 SER N N 45 117.089 117.089 122.629 -5.540 25927 5738 1 10 . 1 1 45 45 SER HA H 45 4.837 4.837 4.721 0.116 25927 5739 1 10 . 1 1 45 45 SER C C 45 174.334 174.334 174.492 -0.158 25927 5740 1 10 . 1 1 45 45 SER CA C 45 56.688 56.688 57.485 -0.797 25927 5741 1 10 . 1 1 45 45 SER CB C 45 64.628 64.628 64.836 -0.208 25927 5742 1 10 . 1 1 45 45 SER H H 45 8.497 8.497 8.915 -0.418 25927 5743 1 10 . 1 1 46 46 ALA N N 46 126.901 126.901 128.189 -1.288 25927 5744 1 10 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.057 0.165 25927 5745 1 10 . 1 1 46 46 ALA C C 46 178.171 178.171 178.501 -0.330 25927 5746 1 10 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.202 -0.114 25927 5747 1 10 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.959 -0.367 25927 5748 1 10 . 1 1 46 46 ALA H H 46 8.780 8.780 8.735 0.045 25927 5749 1 10 . 1 1 47 47 ARG N N 47 117.860 117.860 117.192 0.668 25927 5750 1 10 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.152 0.258 25927 5751 1 10 . 1 1 47 47 ARG C C 47 175.674 175.674 176.535 -0.861 25927 5752 1 10 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.087 -1.835 25927 5753 1 10 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.635 0.951 25927 5754 1 10 . 1 1 47 47 ARG H H 47 8.381 8.381 8.032 0.349 25927 5755 1 10 . 1 1 48 48 ALA N N 48 121.099 121.099 117.425 3.674 25927 5756 1 10 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.613 -0.194 25927 5757 1 10 . 1 1 48 48 ALA C C 48 176.874 176.874 175.920 0.954 25927 5758 1 10 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.232 1.036 25927 5759 1 10 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.529 -1.748 25927 5760 1 10 . 1 1 48 48 ALA H H 48 8.012 8.012 8.118 -0.106 25927 5761 1 10 . 1 1 49 49 GLY N N 49 106.126 106.126 107.312 -1.186 25927 5762 1 10 . 1 1 49 49 GLY C C 49 172.803 172.803 172.079 0.724 25927 5763 1 10 . 1 1 49 49 GLY CA C 49 44.490 44.490 46.063 -1.573 25927 5764 1 10 . 1 1 49 49 GLY H H 49 7.946 7.946 8.531 -0.585 25927 5765 1 10 . 1 1 50 50 SER N N 50 113.972 113.972 116.198 -2.226 25927 5766 1 10 . 1 1 50 50 SER HA H 50 4.736 4.736 5.139 -0.403 25927 5767 1 10 . 1 1 50 50 SER C C 50 171.367 171.367 172.593 -1.226 25927 5768 1 10 . 1 1 50 50 SER CA C 50 57.165 57.165 56.201 0.964 25927 5769 1 10 . 1 1 50 50 SER CB C 50 66.797 66.797 66.257 0.540 25927 5770 1 10 . 1 1 50 50 SER H H 50 7.631 7.631 8.155 -0.524 25927 5771 1 10 . 1 1 51 51 TRP N N 51 121.787 121.787 123.736 -1.949 25927 5772 1 10 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.171 0.685 25927 5773 1 10 . 1 1 51 51 TRP C C 51 176.055 176.055 175.738 0.317 25927 5774 1 10 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.198 -0.405 25927 5775 1 10 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.474 0.059 25927 5776 1 10 . 1 1 51 51 TRP H H 51 8.588 8.588 8.594 -0.006 25927 5777 1 10 . 1 1 52 52 ILE N N 52 126.898 126.898 125.165 1.733 25927 5778 1 10 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.771 0.300 25927 5779 1 10 . 1 1 52 52 ILE C C 52 175.754 175.754 175.119 0.635 25927 5780 1 10 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.561 -1.828 25927 5781 1 10 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.136 0.218 25927 5782 1 10 . 1 1 52 52 ILE H H 52 8.963 8.963 9.071 -0.108 25927 5783 1 10 . 1 1 53 53 THR N N 53 116.271 116.271 123.686 -7.415 25927 5784 1 10 . 1 1 53 53 THR HA H 53 5.095 5.095 4.777 0.318 25927 5785 1 10 . 1 1 53 53 THR C C 53 173.382 173.382 172.808 0.574 25927 5786 1 10 . 1 1 53 53 THR CA C 53 59.290 59.290 61.761 -2.470 25927 5787 1 10 . 1 1 53 53 THR CB C 53 71.819 71.819 70.897 0.923 25927 5788 1 10 . 1 1 53 53 THR H H 53 8.371 8.371 9.149 -0.778 25927 5789 1 10 . 1 1 54 54 ILE N N 54 124.947 124.947 129.634 -4.687 25927 5790 1 10 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.071 0.112 25927 5791 1 10 . 1 1 54 54 ILE C C 54 175.952 175.952 173.874 2.078 25927 5792 1 10 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.300 2.294 25927 5793 1 10 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.844 -2.227 25927 5794 1 10 . 1 1 54 54 ILE H H 54 9.056 9.056 9.021 0.035 25927 5795 1 10 . 1 1 55 55 THR N N 55 118.298 118.298 123.069 -4.771 25927 5796 1 10 . 1 1 55 55 THR HA H 55 5.458 5.458 5.095 0.363 25927 5797 1 10 . 1 1 55 55 THR C C 55 173.980 173.980 173.533 0.447 25927 5798 1 10 . 1 1 55 55 THR CA C 55 58.717 58.717 59.746 -1.029 25927 5799 1 10 . 1 1 55 55 THR CB C 55 71.839 71.839 71.004 0.835 25927 5800 1 10 . 1 1 55 55 THR H H 55 9.250 9.250 8.855 0.395 25927 5801 1 10 . 1 1 56 56 VAL N N 56 120.047 120.047 125.870 -5.823 25927 5802 1 10 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.697 -0.277 25927 5803 1 10 . 1 1 56 56 VAL C C 56 176.226 176.226 176.500 -0.274 25927 5804 1 10 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.645 -0.604 25927 5805 1 10 . 1 1 56 56 VAL CB C 56 33.761 33.761 32.048 1.712 25927 5806 1 10 . 1 1 56 56 VAL H H 56 8.435 8.435 8.798 -0.363 25927 5807 1 10 . 1 1 57 57 ASN N N 57 125.479 125.479 126.851 -1.372 25927 5808 1 10 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.242 -0.047 25927 5809 1 10 . 1 1 57 57 ASN C C 57 175.026 175.026 175.520 -0.494 25927 5810 1 10 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.547 -0.851 25927 5811 1 10 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.343 -0.344 25927 5812 1 10 . 1 1 57 57 ASN H H 57 9.199 9.199 9.360 -0.161 25927 5813 1 10 . 1 1 58 58 GLN N N 58 116.897 116.897 116.257 0.640 25927 5814 1 10 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.460 -0.274 25927 5815 1 10 . 1 1 58 58 GLN C C 58 175.237 175.237 174.760 0.477 25927 5816 1 10 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.473 1.366 25927 5817 1 10 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.055 -2.473 25927 5818 1 10 . 1 1 58 58 GLN H H 58 8.576 8.576 8.230 0.346 25927 5819 1 10 . 1 1 59 59 ASP N N 59 122.465 122.465 122.813 -0.348 25927 5820 1 10 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.883 -0.167 25927 5821 1 10 . 1 1 59 59 ASP C C 59 175.302 175.302 174.480 0.822 25927 5822 1 10 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.724 0.409 25927 5823 1 10 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.133 -2.679 25927 5824 1 10 . 1 1 59 59 ASP H H 59 8.343 8.343 8.238 0.105 25927 5825 1 10 . 1 1 60 60 VAL N N 60 124.577 124.577 123.515 1.062 25927 5826 1 10 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.124 -0.247 25927 5827 1 10 . 1 1 60 60 VAL C C 60 176.802 176.802 175.559 1.243 25927 5828 1 10 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.953 0.828 25927 5829 1 10 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.722 -0.988 25927 5830 1 10 . 1 1 60 60 VAL H H 60 8.754 8.754 8.725 0.029 25927 5831 1 10 . 1 1 61 61 ILE N N 61 123.852 123.852 124.470 -0.618 25927 5832 1 10 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.569 -0.050 25927 5833 1 10 . 1 1 61 61 ILE C C 61 175.073 175.073 175.143 -0.070 25927 5834 1 10 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.235 -0.636 25927 5835 1 10 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.204 -1.234 25927 5836 1 10 . 1 1 61 61 ILE H H 61 8.984 8.984 8.065 0.919 25927 5837 1 10 . 1 1 62 62 PHE N N 62 119.927 119.927 121.037 -1.110 25927 5838 1 10 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.871 -0.225 25927 5839 1 10 . 1 1 62 62 PHE C C 62 171.958 171.958 172.757 -0.799 25927 5840 1 10 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.088 1.283 25927 5841 1 10 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.782 0.028 25927 5842 1 10 . 1 1 62 62 PHE H H 62 7.557 7.557 7.602 -0.045 25927 5843 1 10 . 1 1 63 63 GLN N N 63 125.524 125.524 122.779 2.745 25927 5844 1 10 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.789 0.320 25927 5845 1 10 . 1 1 63 63 GLN C C 63 172.837 172.837 173.556 -0.719 25927 5846 1 10 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.888 -0.126 25927 5847 1 10 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.781 -0.101 25927 5848 1 10 . 1 1 63 63 GLN H H 63 7.389 7.389 7.731 -0.342 25927 5849 1 10 . 1 1 64 64 THR N N 64 115.981 115.981 114.943 1.038 25927 5850 1 10 . 1 1 64 64 THR HA H 64 4.428 4.428 4.527 -0.099 25927 5851 1 10 . 1 1 64 64 THR C C 64 169.980 169.980 172.134 -2.154 25927 5852 1 10 . 1 1 64 64 THR CA C 64 60.555 60.555 61.037 -0.482 25927 5853 1 10 . 1 1 64 64 THR CB C 64 69.083 69.083 71.814 -2.731 25927 5854 1 10 . 1 1 64 64 THR H H 64 8.588 8.588 8.727 -0.139 25927 5855 1 10 . 1 1 65 65 PHE N N 65 125.997 125.997 123.790 2.207 25927 5856 1 10 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.533 -0.119 25927 5857 1 10 . 1 1 65 65 PHE C C 65 173.940 173.940 174.419 -0.479 25927 5858 1 10 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.217 0.033 25927 5859 1 10 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.057 0.656 25927 5860 1 10 . 1 1 65 65 PHE H H 65 8.054 8.054 8.279 -0.225 25927 5861 1 10 . 1 1 66 66 LEU N N 66 127.935 127.935 125.759 2.176 25927 5862 1 10 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.527 -0.075 25927 5863 1 10 . 1 1 66 66 LEU C C 66 174.502 174.502 175.171 -0.669 25927 5864 1 10 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.506 -0.897 25927 5865 1 10 . 1 1 66 66 LEU H H 66 8.383 8.383 8.542 -0.159 25927 5866 1 10 . 1 1 67 67 PHE N N 67 123.162 123.162 119.306 3.856 25927 5867 1 10 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.444 -0.820 25927 5868 1 10 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.661 -1.534 25927 5869 1 10 . 1 1 67 67 PHE H H 67 8.285 8.285 8.773 -0.488 25927 5870 1 10 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.510 -0.063 25927 5871 1 10 . 1 1 68 68 PRO C C 68 175.918 175.918 177.104 -1.186 25927 5872 1 10 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.052 -2.429 25927 5873 1 10 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.324 -0.103 25927 5874 1 10 . 1 1 69 69 LEU N N 69 121.360 121.360 119.616 1.744 25927 5875 1 10 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.331 -0.137 25927 5876 1 10 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.782 -0.531 25927 5877 1 10 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.137 -1.460 25927 5878 1 10 . 1 1 69 69 LEU H H 69 8.300 8.300 8.262 0.038 25927 5879 1 10 . 1 1 70 70 LYS N N 70 123.012 123.012 116.872 6.140 25927 5880 1 10 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.627 0.073 25927 5881 1 10 . 1 1 70 70 LYS CB C 70 29.720 29.720 32.926 -3.206 25927 5882 1 10 . 1 1 70 70 LYS H H 70 8.156 8.156 7.965 0.191 25927 5883 1 10 . 1 1 71 71 ARG N N 71 125.250 125.250 120.406 4.844 25927 5884 1 10 . 1 1 71 71 ARG C C 71 179.581 179.581 176.682 2.899 25927 5885 1 10 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.328 0.890 25927 5886 1 10 . 1 1 71 71 ARG H H 71 8.279 8.279 8.857 -0.578 25927 5887 1 10 . 1 1 72 72 ASP N N 72 119.355 119.355 120.336 -0.981 25927 5888 1 10 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.530 0.216 25927 5889 1 10 . 1 1 72 72 ASP C C 72 177.124 177.124 177.426 -0.302 25927 5890 1 10 . 1 1 72 72 ASP CA C 72 55.673 55.673 56.062 -0.389 25927 5891 1 10 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.445 -0.398 25927 5892 1 10 . 1 1 72 72 ASP H H 72 8.182 8.182 8.398 -0.216 25927 5893 1 10 . 1 1 73 73 PHE N N 73 122.846 122.846 121.850 0.996 25927 5894 1 10 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.106 0.024 25927 5895 1 10 . 1 1 73 73 PHE C C 73 176.729 176.729 176.823 -0.094 25927 5896 1 10 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.107 0.915 25927 5897 1 10 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.208 0.996 25927 5898 1 10 . 1 1 73 73 PHE H H 73 8.197 8.197 8.345 -0.148 25927 5899 1 10 . 1 1 74 74 GLU N N 74 118.652 118.652 118.586 0.066 25927 5900 1 10 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.891 -0.047 25927 5901 1 10 . 1 1 74 74 GLU C C 74 179.310 179.310 178.717 0.593 25927 5902 1 10 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.718 0.933 25927 5903 1 10 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.380 -0.731 25927 5904 1 10 . 1 1 74 74 GLU H H 74 9.098 9.098 9.064 0.034 25927 5905 1 10 . 1 1 75 75 LYS N N 75 117.836 117.836 119.418 -1.582 25927 5906 1 10 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.093 -0.014 25927 5907 1 10 . 1 1 75 75 LYS C C 75 179.312 179.312 179.334 -0.022 25927 5908 1 10 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.413 -0.133 25927 5909 1 10 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.233 0.110 25927 5910 1 10 . 1 1 75 75 LYS H H 75 8.078 8.078 7.744 0.334 25927 5911 1 10 . 1 1 76 76 THR N N 76 118.581 118.581 117.581 1.000 25927 5912 1 10 . 1 1 76 76 THR HA H 76 4.168 4.168 4.144 0.024 25927 5913 1 10 . 1 1 76 76 THR C C 76 175.873 175.873 176.793 -0.920 25927 5914 1 10 . 1 1 76 76 THR CA C 76 67.009 67.009 66.923 0.086 25927 5915 1 10 . 1 1 76 76 THR CB C 76 68.404 68.404 68.563 -0.159 25927 5916 1 10 . 1 1 76 76 THR H H 76 8.031 8.031 8.361 -0.330 25927 5917 1 10 . 1 1 77 77 VAL N N 77 122.994 122.994 121.718 1.276 25927 5918 1 10 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.560 -0.168 25927 5919 1 10 . 1 1 77 77 VAL C C 77 177.137 177.137 177.583 -0.446 25927 5920 1 10 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.912 0.543 25927 5921 1 10 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.253 0.320 25927 5922 1 10 . 1 1 77 77 VAL H H 77 7.999 7.999 8.147 -0.148 25927 5923 1 10 . 1 1 78 78 VAL N N 78 117.994 117.994 118.951 -0.957 25927 5924 1 10 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.500 0.048 25927 5925 1 10 . 1 1 78 78 VAL C C 78 177.830 177.830 177.548 0.282 25927 5926 1 10 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.449 0.825 25927 5927 1 10 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.288 0.456 25927 5928 1 10 . 1 1 78 78 VAL H H 78 7.745 7.745 7.954 -0.209 25927 5929 1 10 . 1 1 79 79 ALA N N 79 120.460 120.460 121.223 -0.763 25927 5930 1 10 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.075 0.105 25927 5931 1 10 . 1 1 79 79 ALA C C 79 176.512 176.512 179.147 -2.635 25927 5932 1 10 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.934 0.167 25927 5933 1 10 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.105 0.066 25927 5934 1 10 . 1 1 79 79 ALA H H 79 7.844 7.844 8.466 -0.622 25927 5935 1 10 . 1 1 80 80 ALA N N 80 119.351 119.351 120.693 -1.342 25927 5936 1 10 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.765 -0.769 25927 5937 1 10 . 1 1 80 80 ALA C C 80 180.805 180.805 179.462 1.343 25927 5938 1 10 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.943 -0.285 25927 5939 1 10 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.490 0.868 25927 5940 1 10 . 1 1 80 80 ALA H H 80 8.178 8.178 8.092 0.086 25927 5941 1 10 . 1 1 81 81 LEU N N 81 123.041 123.041 119.481 3.560 25927 5942 1 10 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.033 -0.169 25927 5943 1 10 . 1 1 81 81 LEU C C 81 179.526 179.526 179.084 0.442 25927 5944 1 10 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.764 1.121 25927 5945 1 10 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.601 0.950 25927 5946 1 10 . 1 1 81 81 LEU H H 81 8.469 8.469 7.259 1.210 25927 5947 1 10 . 1 1 82 82 ILE N N 82 119.350 119.350 118.770 0.580 25927 5948 1 10 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.633 0.194 25927 5949 1 10 . 1 1 82 82 ILE C C 82 179.375 179.375 178.136 1.239 25927 5950 1 10 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.345 -0.766 25927 5951 1 10 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.643 0.971 25927 5952 1 10 . 1 1 82 82 ILE H H 82 7.988 7.988 7.310 0.678 25927 5953 1 10 . 1 1 83 83 GLN N N 83 118.033 118.033 118.351 -0.318 25927 5954 1 10 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.913 0.280 25927 5955 1 10 . 1 1 83 83 GLN C C 83 179.932 179.932 178.609 1.323 25927 5956 1 10 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.764 0.399 25927 5957 1 10 . 1 1 83 83 GLN CB C 83 28.694 28.694 27.981 0.713 25927 5958 1 10 . 1 1 83 83 GLN H H 83 8.665 8.665 8.238 0.427 25927 5959 1 10 . 1 1 84 84 THR N N 84 118.583 118.583 115.150 3.433 25927 5960 1 10 . 1 1 84 84 THR HA H 84 3.813 3.813 4.044 -0.231 25927 5961 1 10 . 1 1 84 84 THR C C 84 175.824 175.824 176.231 -0.407 25927 5962 1 10 . 1 1 84 84 THR CA C 84 68.515 68.515 67.590 0.925 25927 5963 1 10 . 1 1 84 84 THR CB C 84 67.514 67.514 68.803 -1.289 25927 5964 1 10 . 1 1 84 84 THR H H 84 8.355 8.355 8.169 0.186 25927 5965 1 10 . 1 1 85 85 GLU N N 85 121.547 121.547 120.560 0.987 25927 5966 1 10 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.086 0.087 25927 5967 1 10 . 1 1 85 85 GLU C C 85 178.637 178.637 178.484 0.153 25927 5968 1 10 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.156 1.220 25927 5969 1 10 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.835 0.377 25927 5970 1 10 . 1 1 85 85 GLU H H 85 7.846 7.846 7.852 -0.006 25927 5971 1 10 . 1 1 86 86 GLU N N 86 118.203 118.203 119.435 -1.232 25927 5972 1 10 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.022 0.082 25927 5973 1 10 . 1 1 86 86 GLU C C 86 179.080 179.080 178.826 0.254 25927 5974 1 10 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.061 0.623 25927 5975 1 10 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.106 0.452 25927 5976 1 10 . 1 1 86 86 GLU H H 86 8.154 8.154 8.531 -0.377 25927 5977 1 10 . 1 1 87 87 ALA N N 87 121.242 121.242 121.315 -0.073 25927 5978 1 10 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.146 0.030 25927 5979 1 10 . 1 1 87 87 ALA C C 87 181.299 181.299 179.438 1.861 25927 5980 1 10 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.775 0.441 25927 5981 1 10 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.641 0.592 25927 5982 1 10 . 1 1 87 87 ALA H H 87 8.181 8.181 7.470 0.711 25927 5983 1 10 . 1 1 88 88 LEU N N 88 119.086 119.086 117.804 1.282 25927 5984 1 10 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.085 -0.088 25927 5985 1 10 . 1 1 88 88 LEU C C 88 179.526 179.526 178.551 0.975 25927 5986 1 10 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.273 1.275 25927 5987 1 10 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.416 -0.172 25927 5988 1 10 . 1 1 88 88 LEU H H 88 8.379 8.379 7.458 0.921 25927 5989 1 10 . 1 1 89 89 ASN N N 89 119.429 119.429 118.256 1.173 25927 5990 1 10 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.442 0.125 25927 5991 1 10 . 1 1 89 89 ASN C C 89 177.117 177.117 176.160 0.957 25927 5992 1 10 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.663 -0.659 25927 5993 1 10 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.476 -0.127 25927 5994 1 10 . 1 1 89 89 ASN H H 89 8.271 8.271 8.616 -0.345 25927 5995 1 10 . 1 1 90 90 ARG N N 90 118.735 118.735 116.762 1.973 25927 5996 1 10 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.391 -0.238 25927 5997 1 10 . 1 1 90 90 ARG C C 90 177.836 177.836 177.058 0.778 25927 5998 1 10 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.734 1.840 25927 5999 1 10 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.744 -0.514 25927 6000 1 10 . 1 1 90 90 ARG H H 90 8.010 8.010 7.830 0.180 25927 6001 1 10 . 1 1 91 91 ARG N N 91 118.976 118.976 118.745 0.231 25927 6002 1 10 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.235 -0.026 25927 6003 1 10 . 1 1 91 91 ARG C C 91 177.455 177.455 177.842 -0.387 25927 6004 1 10 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.594 -0.569 25927 6005 1 10 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.231 -0.444 25927 6006 1 10 . 1 1 91 91 ARG H H 91 7.833 7.833 7.648 0.185 25927 6007 1 10 . 1 1 92 92 GLN N N 92 118.834 118.834 115.232 3.602 25927 6008 1 10 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.489 -0.232 25927 6009 1 10 . 1 1 92 92 GLN C C 92 177.362 177.362 177.894 -0.532 25927 6010 1 10 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.742 0.746 25927 6011 1 10 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.591 -1.459 25927 6012 1 10 . 1 1 92 92 GLN H H 92 7.988 7.988 8.173 -0.185 25927 6013 1 10 . 1 1 93 93 ILE N N 93 120.499 120.499 122.501 -2.002 25927 6014 1 10 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.718 0.298 25927 6015 1 10 . 1 1 93 93 ILE C C 93 177.002 177.002 177.106 -0.104 25927 6016 1 10 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.918 -2.057 25927 6017 1 10 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.426 1.141 25927 6018 1 10 . 1 1 93 93 ILE H H 93 7.976 7.976 7.939 0.037 25927 6019 1 10 . 1 1 94 94 ASN N N 94 120.172 120.172 118.494 1.678 25927 6020 1 10 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.303 0.336 25927 6021 1 10 . 1 1 94 94 ASN C C 94 176.336 176.336 177.745 -1.409 25927 6022 1 10 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.828 -2.511 25927 6023 1 10 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.270 0.330 25927 6024 1 10 . 1 1 94 94 ASN H H 94 8.272 8.272 8.270 0.002 25927 6025 1 10 . 1 1 95 95 GLN N N 95 120.288 120.288 118.789 1.499 25927 6026 1 10 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.130 0.050 25927 6027 1 10 . 1 1 95 95 GLN C C 95 176.701 176.701 177.825 -1.124 25927 6028 1 10 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.536 -1.357 25927 6029 1 10 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.762 0.234 25927 6030 1 10 . 1 1 95 95 GLN H H 95 8.303 8.303 7.799 0.504 25927 6031 1 10 . 1 1 96 96 ALA N N 96 123.219 123.219 121.759 1.460 25927 6032 1 10 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.104 0.157 25927 6033 1 10 . 1 1 96 96 ALA C C 96 178.429 178.429 178.757 -0.328 25927 6034 1 10 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.744 -1.312 25927 6035 1 10 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.803 -0.030 25927 6036 1 10 . 1 1 96 96 ALA H H 96 8.112 8.112 7.470 0.642 25927 6037 1 10 . 1 1 97 97 LEU N N 97 119.452 119.452 114.497 4.955 25927 6038 1 10 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.263 0.038 25927 6039 1 10 . 1 1 97 97 LEU C C 97 177.834 177.834 178.022 -0.188 25927 6040 1 10 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.172 -1.426 25927 6041 1 10 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.848 0.442 25927 6042 1 10 . 1 1 97 97 LEU H H 97 7.932 7.932 8.087 -0.155 25927 6043 1 10 . 1 1 98 98 LEU N N 98 121.124 121.124 118.402 2.722 25927 6044 1 10 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.263 0.114 25927 6045 1 10 . 1 1 98 98 LEU C C 98 177.729 177.729 178.803 -1.074 25927 6046 1 10 . 1 1 98 98 LEU CA C 98 55.426 55.426 56.234 -0.808 25927 6047 1 10 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.499 -0.093 25927 6048 1 10 . 1 1 98 98 LEU H H 98 7.947 7.947 7.420 0.527 25927 6049 1 10 . 1 1 99 99 SER N N 99 115.913 115.913 114.438 1.475 25927 6050 1 10 . 1 1 99 99 SER HA H 99 4.525 4.525 4.593 -0.068 25927 6051 1 10 . 1 1 99 99 SER C C 99 174.980 174.980 174.874 0.106 25927 6052 1 10 . 1 1 99 99 SER CA C 99 58.478 58.478 57.816 0.662 25927 6053 1 10 . 1 1 99 99 SER CB C 99 63.839 63.839 62.429 1.410 25927 6054 1 10 . 1 1 99 99 SER H H 99 8.238 8.238 8.035 0.203 25927 6055 1 10 . 1 1 100 100 THR N N 100 114.610 114.610 114.440 0.170 25927 6056 1 10 . 1 1 100 100 THR HA H 100 4.361 4.361 4.386 -0.025 25927 6057 1 10 . 1 1 100 100 THR C C 100 175.368 175.368 175.900 -0.532 25927 6058 1 10 . 1 1 100 100 THR CA C 100 62.195 62.195 62.188 0.007 25927 6059 1 10 . 1 1 100 100 THR CB C 100 69.794 69.794 68.973 0.821 25927 6060 1 10 . 1 1 100 100 THR H H 100 8.140 8.140 7.387 0.753 25927 6061 1 10 . 1 1 101 101 GLY N N 101 110.650 110.650 109.912 0.738 25927 6062 1 10 . 1 1 101 101 GLY C C 101 173.935 173.935 174.197 -0.262 25927 6063 1 10 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.741 0.752 25927 6064 1 10 . 1 1 101 101 GLY H H 101 8.353 8.353 7.933 0.420 25927 6065 1 10 . 1 1 102 102 ASP N N 102 120.512 120.512 119.011 1.501 25927 6066 1 10 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.141 0.462 25927 6067 1 10 . 1 1 102 102 ASP C C 102 176.419 176.419 175.539 0.880 25927 6068 1 10 . 1 1 102 102 ASP CA C 102 54.291 54.291 55.430 -1.139 25927 6069 1 10 . 1 1 102 102 ASP CB C 102 41.277 41.277 41.193 0.084 25927 6070 1 10 . 1 1 102 102 ASP H H 102 8.204 8.204 8.169 0.035 25927 6071 1 10 . 1 1 103 103 LEU N N 103 122.331 122.331 120.804 1.527 25927 6072 1 10 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.320 -0.062 25927 6073 1 10 . 1 1 103 103 LEU C C 103 177.394 177.394 176.536 0.858 25927 6074 1 10 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.921 -0.393 25927 6075 1 10 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.021 0.207 25927 6076 1 10 . 1 1 103 103 LEU H H 103 8.170 8.170 8.169 0.001 25927 6077 1 10 . 1 1 104 104 ALA N N 104 123.139 123.139 128.364 -5.225 25927 6078 1 10 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.347 -0.147 25927 6079 1 10 . 1 1 104 104 ALA C C 104 177.730 177.730 176.099 1.631 25927 6080 1 10 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.927 0.847 25927 6081 1 10 . 1 1 104 104 ALA CB C 104 19.005 19.005 18.847 0.158 25927 6082 1 10 . 1 1 104 104 ALA H H 104 8.150 8.150 8.759 -0.609 25927 6083 1 10 . 1 1 105 105 HIS N N 105 117.105 117.105 117.899 -0.794 25927 6084 1 10 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.568 0.073 25927 6085 1 10 . 1 1 105 105 HIS C C 105 174.414 174.414 174.724 -0.310 25927 6086 1 10 . 1 1 105 105 HIS CA C 105 55.520 55.520 56.636 -1.116 25927 6087 1 10 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.710 -1.432 25927 6088 1 10 . 1 1 105 105 HIS H H 105 8.239 8.239 8.069 0.170 25927 6089 1 10 . 1 1 106 106 ASP N N 106 121.315 121.315 123.704 -2.389 25927 6090 1 10 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.594 0.009 25927 6091 1 10 . 1 1 106 106 ASP C C 106 176.370 176.370 175.964 0.406 25927 6092 1 10 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.821 -0.502 25927 6093 1 10 . 1 1 106 106 ASP CB C 106 41.414 41.414 39.351 2.063 25927 6094 1 10 . 1 1 106 106 ASP H H 106 8.298 8.298 8.884 -0.586 25927 6095 1 10 . 1 1 107 107 GLU N N 107 121.228 121.228 119.252 1.976 25927 6096 1 10 . 1 1 107 107 GLU HA H 107 4.108 4.108 3.792 0.316 25927 6097 1 10 . 1 1 107 107 GLU C C 107 176.248 176.248 176.074 0.174 25927 6098 1 10 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.768 -0.576 25927 6099 1 10 . 1 1 107 107 GLU CB C 107 30.095 30.095 29.369 0.726 25927 6100 1 10 . 1 1 107 107 GLU H H 107 8.536 8.536 7.771 0.765 25927 6101 1 11 . 1 1 2 2 VAL N N 2 119.413 119.413 118.540 0.873 25927 6102 1 11 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.450 -0.318 25927 6103 1 11 . 1 1 2 2 VAL C C 2 175.957 175.957 175.896 0.061 25927 6104 1 11 . 1 1 2 2 VAL CA C 2 62.517 62.517 61.751 0.766 25927 6105 1 11 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.328 -0.652 25927 6106 1 11 . 1 1 2 2 VAL H H 2 8.453 8.453 8.119 0.334 25927 6107 1 11 . 1 1 3 3 GLU N N 3 125.255 125.255 121.482 3.773 25927 6108 1 11 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.441 -0.093 25927 6109 1 11 . 1 1 3 3 GLU C C 3 176.154 176.154 176.594 -0.440 25927 6110 1 11 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.786 0.683 25927 6111 1 11 . 1 1 3 3 GLU CB C 3 30.382 30.382 29.772 0.610 25927 6112 1 11 . 1 1 3 3 GLU H H 3 8.587 8.587 8.734 -0.147 25927 6113 1 11 . 1 1 4 4 VAL N N 4 121.132 121.132 122.846 -1.714 25927 6114 1 11 . 1 1 4 4 VAL HA H 4 4.121 4.121 3.952 0.169 25927 6115 1 11 . 1 1 4 4 VAL C C 4 175.762 175.762 174.999 0.763 25927 6116 1 11 . 1 1 4 4 VAL CA C 4 62.028 62.028 62.002 0.026 25927 6117 1 11 . 1 1 4 4 VAL CB C 4 33.056 33.056 30.180 2.876 25927 6118 1 11 . 1 1 4 4 VAL H H 4 8.172 8.172 7.807 0.365 25927 6119 1 11 . 1 1 5 5 GLU N N 5 125.223 125.223 117.253 7.970 25927 6120 1 11 . 1 1 5 5 GLU HA H 5 4.324 4.324 3.867 0.457 25927 6121 1 11 . 1 1 5 5 GLU C C 5 176.006 176.006 176.268 -0.262 25927 6122 1 11 . 1 1 5 5 GLU CA C 5 56.389 56.389 57.019 -0.630 25927 6123 1 11 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.107 2.312 25927 6124 1 11 . 1 1 5 5 GLU H H 5 8.472 8.472 7.786 0.686 25927 6125 1 11 . 1 1 6 6 VAL N N 6 123.435 123.435 117.718 5.717 25927 6126 1 11 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.922 0.514 25927 6127 1 11 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.653 -4.907 25927 6128 1 11 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.723 2.015 25927 6129 1 11 . 1 1 6 6 VAL H H 6 8.288 8.288 8.197 0.091 25927 6130 1 11 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.604 -0.168 25927 6131 1 11 . 1 1 7 7 PRO C C 7 177.461 177.461 176.498 0.963 25927 6132 1 11 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.334 1.011 25927 6133 1 11 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.840 -0.536 25927 6134 1 11 . 1 1 8 8 GLY N N 8 108.925 108.925 106.376 2.549 25927 6135 1 11 . 1 1 8 8 GLY C C 8 173.995 173.995 173.264 0.731 25927 6136 1 11 . 1 1 8 8 GLY CA C 8 45.426 45.426 45.002 0.424 25927 6137 1 11 . 1 1 8 8 GLY H H 8 8.334 8.334 8.220 0.114 25927 6138 1 11 . 1 1 9 9 LEU N N 9 121.559 121.559 121.136 0.423 25927 6139 1 11 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.765 -0.306 25927 6140 1 11 . 1 1 9 9 LEU C C 9 176.870 176.870 175.741 1.129 25927 6141 1 11 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.450 1.171 25927 6142 1 11 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.181 0.867 25927 6143 1 11 . 1 1 9 9 LEU H H 9 8.150 8.150 8.539 -0.389 25927 6144 1 11 . 1 1 10 10 LEU N N 10 122.690 122.690 122.578 0.112 25927 6145 1 11 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.436 0.725 25927 6146 1 11 . 1 1 10 10 LEU C C 10 177.427 177.427 177.187 0.240 25927 6147 1 11 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.730 -1.868 25927 6148 1 11 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.865 1.783 25927 6149 1 11 . 1 1 10 10 LEU H H 10 8.348 8.348 7.755 0.593 25927 6150 1 11 . 1 1 11 11 THR N N 11 124.118 124.118 119.266 4.852 25927 6151 1 11 . 1 1 11 11 THR HA H 11 4.295 4.295 4.557 -0.262 25927 6152 1 11 . 1 1 11 11 THR C C 11 172.853 172.853 173.996 -1.143 25927 6153 1 11 . 1 1 11 11 THR CA C 11 63.577 63.577 61.136 2.441 25927 6154 1 11 . 1 1 11 11 THR CB C 11 69.325 69.325 71.757 -2.432 25927 6155 1 11 . 1 1 11 11 THR H H 11 9.186 9.186 8.078 1.108 25927 6156 1 11 . 1 1 12 12 ASP N N 12 127.226 127.226 125.454 1.772 25927 6157 1 11 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.858 0.439 25927 6158 1 11 . 1 1 12 12 ASP C C 12 176.060 176.060 175.717 0.343 25927 6159 1 11 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.648 0.131 25927 6160 1 11 . 1 1 12 12 ASP CB C 12 39.044 39.044 38.291 0.753 25927 6161 1 11 . 1 1 12 12 ASP H H 12 8.880 8.880 8.470 0.410 25927 6162 1 11 . 1 1 13 13 HIS N N 13 127.146 127.146 122.771 4.375 25927 6163 1 11 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.558 0.750 25927 6164 1 11 . 1 1 13 13 HIS C C 13 175.365 175.365 173.764 1.601 25927 6165 1 11 . 1 1 13 13 HIS CA C 13 53.158 53.158 56.330 -3.172 25927 6166 1 11 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.795 1.159 25927 6167 1 11 . 1 1 13 13 HIS H H 13 8.867 8.867 8.057 0.810 25927 6168 1 11 . 1 1 14 14 THR N N 14 112.885 112.885 110.491 2.394 25927 6169 1 11 . 1 1 14 14 THR HA H 14 4.522 4.522 4.651 -0.129 25927 6170 1 11 . 1 1 14 14 THR C C 14 174.626 174.626 174.171 0.455 25927 6171 1 11 . 1 1 14 14 THR CA C 14 63.245 63.245 60.755 2.490 25927 6172 1 11 . 1 1 14 14 THR CB C 14 70.178 70.178 70.707 -0.529 25927 6173 1 11 . 1 1 14 14 THR H H 14 8.583 8.583 7.749 0.834 25927 6174 1 11 . 1 1 15 15 VAL N N 15 113.207 113.207 120.381 -7.174 25927 6175 1 11 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.535 0.110 25927 6176 1 11 . 1 1 15 15 VAL C C 15 175.216 175.216 174.552 0.664 25927 6177 1 11 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.529 0.734 25927 6178 1 11 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.546 2.834 25927 6179 1 11 . 1 1 15 15 VAL H H 15 9.104 9.104 8.323 0.781 25927 6180 1 11 . 1 1 16 16 SER N N 16 122.970 122.970 115.996 6.974 25927 6181 1 11 . 1 1 16 16 SER HA H 16 4.196 4.196 4.837 -0.641 25927 6182 1 11 . 1 1 16 16 SER C C 16 174.515 174.515 175.207 -0.692 25927 6183 1 11 . 1 1 16 16 SER CA C 16 57.126 57.126 56.447 0.679 25927 6184 1 11 . 1 1 16 16 SER CB C 16 67.073 67.073 66.133 0.940 25927 6185 1 11 . 1 1 16 16 SER H H 16 9.340 9.340 7.642 1.698 25927 6186 1 11 . 1 1 17 17 SER N N 17 116.643 116.643 117.204 -0.561 25927 6187 1 11 . 1 1 17 17 SER HA H 17 4.157 4.157 4.140 0.017 25927 6188 1 11 . 1 1 17 17 SER C C 17 176.576 176.576 176.263 0.313 25927 6189 1 11 . 1 1 17 17 SER CA C 17 62.451 62.451 61.436 1.015 25927 6190 1 11 . 1 1 17 17 SER CB C 17 62.539 62.539 62.906 -0.367 25927 6191 1 11 . 1 1 17 17 SER H H 17 8.926 8.926 8.858 0.068 25927 6192 1 11 . 1 1 18 18 ILE N N 18 120.198 120.198 117.047 3.151 25927 6193 1 11 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.251 -0.180 25927 6194 1 11 . 1 1 18 18 ILE C C 18 177.925 177.925 177.737 0.188 25927 6195 1 11 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.586 1.795 25927 6196 1 11 . 1 1 18 18 ILE CB C 18 37.580 37.580 37.568 0.012 25927 6197 1 11 . 1 1 18 18 ILE H H 18 7.848 7.848 7.632 0.216 25927 6198 1 11 . 1 1 19 19 GLY N N 19 111.905 111.905 109.049 2.856 25927 6199 1 11 . 1 1 19 19 GLY C C 19 176.153 176.153 175.843 0.310 25927 6200 1 11 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.330 -0.490 25927 6201 1 11 . 1 1 19 19 GLY H H 19 7.921 7.921 8.203 -0.282 25927 6202 1 11 . 1 1 20 20 HIS N N 20 120.808 120.808 121.592 -0.784 25927 6203 1 11 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.553 0.209 25927 6204 1 11 . 1 1 20 20 HIS C C 20 178.606 178.606 177.265 1.341 25927 6205 1 11 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.506 -1.648 25927 6206 1 11 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.219 -2.504 25927 6207 1 11 . 1 1 20 20 HIS H H 20 8.842 8.842 8.645 0.197 25927 6208 1 11 . 1 1 21 21 ASP N N 21 121.572 121.572 119.888 1.684 25927 6209 1 11 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.469 0.065 25927 6210 1 11 . 1 1 21 21 ASP C C 21 179.630 179.630 178.542 1.088 25927 6211 1 11 . 1 1 21 21 ASP CA C 21 57.505 57.505 56.950 0.555 25927 6212 1 11 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.536 -0.771 25927 6213 1 11 . 1 1 21 21 ASP H H 21 8.592 8.592 7.780 0.812 25927 6214 1 11 . 1 1 22 22 PHE N N 22 123.889 123.889 122.729 1.160 25927 6215 1 11 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.154 -0.059 25927 6216 1 11 . 1 1 22 22 PHE C C 22 175.647 175.647 176.699 -1.052 25927 6217 1 11 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.093 0.835 25927 6218 1 11 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.249 -0.102 25927 6219 1 11 . 1 1 22 22 PHE H H 22 8.790 8.790 9.032 -0.242 25927 6220 1 11 . 1 1 23 23 TYR N N 23 119.855 119.855 120.106 -0.251 25927 6221 1 11 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.986 -0.205 25927 6222 1 11 . 1 1 23 23 TYR C C 23 177.585 177.585 177.339 0.246 25927 6223 1 11 . 1 1 23 23 TYR CA C 23 62.973 62.973 63.008 -0.035 25927 6224 1 11 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.526 -0.147 25927 6225 1 11 . 1 1 23 23 TYR H H 23 9.008 9.008 8.011 0.997 25927 6226 1 11 . 1 1 24 24 ARG N N 24 120.673 120.673 118.417 2.256 25927 6227 1 11 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.831 -0.113 25927 6228 1 11 . 1 1 24 24 ARG C C 24 177.149 177.149 178.716 -1.567 25927 6229 1 11 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.182 0.178 25927 6230 1 11 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.257 0.177 25927 6231 1 11 . 1 1 24 24 ARG H H 24 8.576 8.576 7.625 0.951 25927 6232 1 11 . 1 1 25 25 ALA N N 25 120.718 120.718 122.713 -1.995 25927 6233 1 11 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.103 0.008 25927 6234 1 11 . 1 1 25 25 ALA C C 25 179.502 179.502 179.075 0.427 25927 6235 1 11 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.837 -0.027 25927 6236 1 11 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.576 0.814 25927 6237 1 11 . 1 1 25 25 ALA H H 25 8.080 8.080 8.444 -0.364 25927 6238 1 11 . 1 1 26 26 PHE N N 26 118.193 118.193 119.164 -0.971 25927 6239 1 11 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.840 -0.342 25927 6240 1 11 . 1 1 26 26 PHE C C 26 177.120 177.120 176.838 0.282 25927 6241 1 11 . 1 1 26 26 PHE CA C 26 61.297 61.297 61.162 0.135 25927 6242 1 11 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.252 0.656 25927 6243 1 11 . 1 1 26 26 PHE H H 26 8.467 8.467 8.215 0.252 25927 6244 1 11 . 1 1 27 27 SER N N 27 112.572 112.572 113.853 -1.281 25927 6245 1 11 . 1 1 27 27 SER HA H 27 3.845 3.845 4.255 -0.410 25927 6246 1 11 . 1 1 27 27 SER C C 27 176.828 176.828 176.455 0.373 25927 6247 1 11 . 1 1 27 27 SER CA C 27 61.656 61.656 61.031 0.625 25927 6248 1 11 . 1 1 27 27 SER CB C 27 62.952 62.952 62.856 0.096 25927 6249 1 11 . 1 1 27 27 SER H H 27 8.477 8.477 8.049 0.428 25927 6250 1 11 . 1 1 28 28 ASP N N 28 119.022 119.022 121.534 -2.512 25927 6251 1 11 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.500 -0.076 25927 6252 1 11 . 1 1 28 28 ASP C C 28 177.325 177.325 177.330 -0.005 25927 6253 1 11 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.412 0.245 25927 6254 1 11 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.952 0.322 25927 6255 1 11 . 1 1 28 28 ASP H H 28 8.019 8.019 8.086 -0.067 25927 6256 1 11 . 1 1 29 29 LYS N N 29 115.330 115.330 115.310 0.020 25927 6257 1 11 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.330 0.029 25927 6258 1 11 . 1 1 29 29 LYS C C 29 175.910 175.910 176.342 -0.432 25927 6259 1 11 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.259 -0.095 25927 6260 1 11 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.745 2.565 25927 6261 1 11 . 1 1 29 29 LYS H H 29 6.910 6.910 7.506 -0.596 25927 6262 1 11 . 1 1 30 30 TRP N N 30 122.847 122.847 124.203 -1.356 25927 6263 1 11 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.091 0.086 25927 6264 1 11 . 1 1 30 30 TRP C C 30 175.188 175.188 175.274 -0.086 25927 6265 1 11 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.637 -0.596 25927 6266 1 11 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.816 0.104 25927 6267 1 11 . 1 1 30 30 TRP H H 30 7.638 7.638 7.635 0.003 25927 6268 1 11 . 1 1 31 31 GLU N N 31 128.182 128.182 125.632 2.550 25927 6269 1 11 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.120 0.039 25927 6270 1 11 . 1 1 31 31 GLU C C 31 173.960 173.960 174.019 -0.059 25927 6271 1 11 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.251 -0.137 25927 6272 1 11 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.047 0.036 25927 6273 1 11 . 1 1 31 31 GLU H H 31 7.426 7.426 7.518 -0.092 25927 6274 1 11 . 1 1 32 32 SER N N 32 115.672 115.672 118.896 -3.224 25927 6275 1 11 . 1 1 32 32 SER HA H 32 4.100 4.100 4.580 -0.480 25927 6276 1 11 . 1 1 32 32 SER C C 32 173.864 173.864 173.635 0.229 25927 6277 1 11 . 1 1 32 32 SER CA C 32 57.344 57.344 57.322 0.022 25927 6278 1 11 . 1 1 32 32 SER CB C 32 64.220 64.220 65.429 -1.209 25927 6279 1 11 . 1 1 32 32 SER H H 32 7.276 7.276 7.918 -0.642 25927 6280 1 11 . 1 1 33 33 ASP N N 33 123.759 123.759 121.238 2.521 25927 6281 1 11 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.624 -0.001 25927 6282 1 11 . 1 1 33 33 ASP C C 33 176.175 176.175 176.515 -0.340 25927 6283 1 11 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.420 -0.291 25927 6284 1 11 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.409 -0.799 25927 6285 1 11 . 1 1 33 33 ASP H H 33 8.429 8.429 8.612 -0.183 25927 6286 1 11 . 1 1 34 34 TYR N N 34 122.283 122.283 118.282 4.001 25927 6287 1 11 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.592 -0.018 25927 6288 1 11 . 1 1 34 34 TYR C C 34 177.025 177.025 175.824 1.201 25927 6289 1 11 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.774 1.043 25927 6290 1 11 . 1 1 34 34 TYR CB C 34 39.134 39.134 38.832 0.302 25927 6291 1 11 . 1 1 34 34 TYR H H 34 8.649 8.649 7.737 0.912 25927 6292 1 11 . 1 1 35 35 THR N N 35 116.852 116.852 112.377 4.475 25927 6293 1 11 . 1 1 35 35 THR HA H 35 4.311 4.311 4.147 0.164 25927 6294 1 11 . 1 1 35 35 THR C C 35 174.704 174.704 174.141 0.563 25927 6295 1 11 . 1 1 35 35 THR CA C 35 61.364 61.364 63.066 -1.702 25927 6296 1 11 . 1 1 35 35 THR CB C 35 69.454 69.454 68.821 0.633 25927 6297 1 11 . 1 1 35 35 THR H H 35 8.067 8.067 8.437 -0.370 25927 6298 1 11 . 1 1 36 36 GLY N N 36 107.698 107.698 107.336 0.362 25927 6299 1 11 . 1 1 36 36 GLY C C 36 171.455 171.455 174.219 -2.764 25927 6300 1 11 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.088 -0.570 25927 6301 1 11 . 1 1 36 36 GLY H H 36 5.732 5.732 6.629 -0.897 25927 6302 1 11 . 1 1 37 37 ASN N N 37 117.424 117.424 118.946 -1.522 25927 6303 1 11 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.731 0.254 25927 6304 1 11 . 1 1 37 37 ASN C C 37 175.393 175.393 173.668 1.725 25927 6305 1 11 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.255 0.578 25927 6306 1 11 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.278 3.235 25927 6307 1 11 . 1 1 37 37 ASN H H 37 8.346 8.346 8.497 -0.151 25927 6308 1 11 . 1 1 38 38 LEU N N 38 126.809 126.809 118.646 8.163 25927 6309 1 11 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.647 -0.649 25927 6310 1 11 . 1 1 38 38 LEU C C 38 175.770 175.770 175.358 0.412 25927 6311 1 11 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.828 2.186 25927 6312 1 11 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.585 -0.519 25927 6313 1 11 . 1 1 38 38 LEU H H 38 8.469 8.469 7.774 0.695 25927 6314 1 11 . 1 1 39 39 THR N N 39 119.369 119.369 114.223 5.146 25927 6315 1 11 . 1 1 39 39 THR HA H 39 4.799 4.799 4.918 -0.119 25927 6316 1 11 . 1 1 39 39 THR C C 39 172.224 172.224 172.675 -0.451 25927 6317 1 11 . 1 1 39 39 THR CA C 39 61.958 61.958 60.596 1.362 25927 6318 1 11 . 1 1 39 39 THR CB C 39 70.327 70.327 72.064 -1.737 25927 6319 1 11 . 1 1 39 39 THR H H 39 8.849 8.849 8.876 -0.027 25927 6320 1 11 . 1 1 40 40 ILE N N 40 125.490 125.490 123.977 1.513 25927 6321 1 11 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.391 0.129 25927 6322 1 11 . 1 1 40 40 ILE C C 40 173.125 173.125 173.761 -0.636 25927 6323 1 11 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.314 0.867 25927 6324 1 11 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.328 -2.878 25927 6325 1 11 . 1 1 40 40 ILE H H 40 8.562 8.562 7.938 0.624 25927 6326 1 11 . 1 1 41 41 ASN N N 41 124.656 124.656 124.195 0.461 25927 6327 1 11 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.667 -0.767 25927 6328 1 11 . 1 1 41 41 ASN C C 41 173.445 173.445 174.015 -0.570 25927 6329 1 11 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.749 0.330 25927 6330 1 11 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.402 -0.286 25927 6331 1 11 . 1 1 41 41 ASN H H 41 9.173 9.173 8.810 0.363 25927 6332 1 11 . 1 1 42 42 GLU N N 42 120.095 120.095 121.742 -1.647 25927 6333 1 11 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.503 -0.118 25927 6334 1 11 . 1 1 42 42 GLU C C 42 173.971 173.971 175.642 -1.671 25927 6335 1 11 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.645 -0.514 25927 6336 1 11 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.304 2.153 25927 6337 1 11 . 1 1 42 42 GLU H H 42 7.741 7.741 8.713 -0.972 25927 6338 1 11 . 1 1 43 43 ARG N N 43 127.178 127.178 121.815 5.363 25927 6339 1 11 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.860 0.173 25927 6340 1 11 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.312 0.383 25927 6341 1 11 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.173 0.315 25927 6342 1 11 . 1 1 43 43 ARG H H 43 9.039 9.039 8.908 0.131 25927 6343 1 11 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.636 0.091 25927 6344 1 11 . 1 1 44 44 PRO C C 44 176.335 176.335 176.250 0.085 25927 6345 1 11 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.886 0.456 25927 6346 1 11 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.140 0.534 25927 6347 1 11 . 1 1 45 45 SER N N 45 117.089 117.089 122.941 -5.852 25927 6348 1 11 . 1 1 45 45 SER HA H 45 4.837 4.837 4.736 0.101 25927 6349 1 11 . 1 1 45 45 SER C C 45 174.334 174.334 174.531 -0.197 25927 6350 1 11 . 1 1 45 45 SER CA C 45 56.688 56.688 57.449 -0.761 25927 6351 1 11 . 1 1 45 45 SER CB C 45 64.628 64.628 64.173 0.455 25927 6352 1 11 . 1 1 45 45 SER H H 45 8.497 8.497 8.931 -0.434 25927 6353 1 11 . 1 1 46 46 ALA N N 46 126.901 126.901 127.368 -0.467 25927 6354 1 11 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.016 0.206 25927 6355 1 11 . 1 1 46 46 ALA C C 46 178.171 178.171 178.609 -0.438 25927 6356 1 11 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.209 -0.121 25927 6357 1 11 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.965 -0.373 25927 6358 1 11 . 1 1 46 46 ALA H H 46 8.780 8.780 8.699 0.081 25927 6359 1 11 . 1 1 47 47 ARG N N 47 117.860 117.860 117.344 0.516 25927 6360 1 11 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.161 0.249 25927 6361 1 11 . 1 1 47 47 ARG C C 47 175.674 175.674 176.589 -0.915 25927 6362 1 11 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.234 -1.982 25927 6363 1 11 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.678 0.908 25927 6364 1 11 . 1 1 47 47 ARG H H 47 8.381 8.381 8.059 0.322 25927 6365 1 11 . 1 1 48 48 ALA N N 48 121.099 121.099 117.382 3.717 25927 6366 1 11 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.553 -0.134 25927 6367 1 11 . 1 1 48 48 ALA C C 48 176.874 176.874 175.762 1.112 25927 6368 1 11 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.175 1.093 25927 6369 1 11 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.503 -1.722 25927 6370 1 11 . 1 1 48 48 ALA H H 48 8.012 8.012 8.141 -0.129 25927 6371 1 11 . 1 1 49 49 GLY N N 49 106.126 106.126 106.910 -0.784 25927 6372 1 11 . 1 1 49 49 GLY C C 49 172.803 172.803 171.837 0.966 25927 6373 1 11 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.955 -1.465 25927 6374 1 11 . 1 1 49 49 GLY H H 49 7.946 7.946 8.200 -0.254 25927 6375 1 11 . 1 1 50 50 SER N N 50 113.972 113.972 115.687 -1.715 25927 6376 1 11 . 1 1 50 50 SER HA H 50 4.736 4.736 5.389 -0.653 25927 6377 1 11 . 1 1 50 50 SER C C 50 171.367 171.367 172.958 -1.591 25927 6378 1 11 . 1 1 50 50 SER CA C 50 57.165 57.165 56.524 0.641 25927 6379 1 11 . 1 1 50 50 SER CB C 50 66.797 66.797 66.290 0.507 25927 6380 1 11 . 1 1 50 50 SER H H 50 7.631 7.631 7.691 -0.060 25927 6381 1 11 . 1 1 51 51 TRP N N 51 121.787 121.787 125.135 -3.348 25927 6382 1 11 . 1 1 51 51 TRP HA H 51 4.856 4.856 5.093 -0.237 25927 6383 1 11 . 1 1 51 51 TRP C C 51 176.055 176.055 175.844 0.211 25927 6384 1 11 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.167 -0.374 25927 6385 1 11 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.787 -0.253 25927 6386 1 11 . 1 1 51 51 TRP H H 51 8.588 8.588 9.146 -0.558 25927 6387 1 11 . 1 1 52 52 ILE N N 52 126.898 126.898 126.733 0.165 25927 6388 1 11 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.895 0.176 25927 6389 1 11 . 1 1 52 52 ILE C C 52 175.754 175.754 175.452 0.302 25927 6390 1 11 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.701 -1.968 25927 6391 1 11 . 1 1 52 52 ILE CB C 52 38.355 38.355 37.717 0.638 25927 6392 1 11 . 1 1 52 52 ILE H H 52 8.963 8.963 9.234 -0.271 25927 6393 1 11 . 1 1 53 53 THR N N 53 116.271 116.271 123.790 -7.519 25927 6394 1 11 . 1 1 53 53 THR HA H 53 5.095 5.095 4.806 0.289 25927 6395 1 11 . 1 1 53 53 THR C C 53 173.382 173.382 172.901 0.481 25927 6396 1 11 . 1 1 53 53 THR CA C 53 59.290 59.290 61.837 -2.547 25927 6397 1 11 . 1 1 53 53 THR CB C 53 71.819 71.819 70.999 0.820 25927 6398 1 11 . 1 1 53 53 THR H H 53 8.371 8.371 9.193 -0.822 25927 6399 1 11 . 1 1 54 54 ILE N N 54 124.947 124.947 129.650 -4.703 25927 6400 1 11 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.109 0.074 25927 6401 1 11 . 1 1 54 54 ILE C C 54 175.952 175.952 173.921 2.031 25927 6402 1 11 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.368 2.226 25927 6403 1 11 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.795 -2.178 25927 6404 1 11 . 1 1 54 54 ILE H H 54 9.056 9.056 9.042 0.014 25927 6405 1 11 . 1 1 55 55 THR N N 55 118.298 118.298 123.125 -4.827 25927 6406 1 11 . 1 1 55 55 THR HA H 55 5.458 5.458 5.116 0.342 25927 6407 1 11 . 1 1 55 55 THR C C 55 173.980 173.980 173.573 0.407 25927 6408 1 11 . 1 1 55 55 THR CA C 55 58.717 58.717 59.768 -1.051 25927 6409 1 11 . 1 1 55 55 THR CB C 55 71.839 71.839 71.024 0.815 25927 6410 1 11 . 1 1 55 55 THR H H 55 9.250 9.250 8.878 0.372 25927 6411 1 11 . 1 1 56 56 VAL N N 56 120.047 120.047 126.017 -5.970 25927 6412 1 11 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.714 -0.294 25927 6413 1 11 . 1 1 56 56 VAL C C 56 176.226 176.226 176.543 -0.317 25927 6414 1 11 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.715 -0.674 25927 6415 1 11 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.962 1.799 25927 6416 1 11 . 1 1 56 56 VAL H H 56 8.435 8.435 8.801 -0.366 25927 6417 1 11 . 1 1 57 57 ASN N N 57 125.479 125.479 126.865 -1.386 25927 6418 1 11 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.251 -0.056 25927 6419 1 11 . 1 1 57 57 ASN C C 57 175.026 175.026 175.551 -0.525 25927 6420 1 11 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.562 -0.867 25927 6421 1 11 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.348 -0.349 25927 6422 1 11 . 1 1 57 57 ASN H H 57 9.199 9.199 9.391 -0.192 25927 6423 1 11 . 1 1 58 58 GLN N N 58 116.897 116.897 116.214 0.683 25927 6424 1 11 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.472 -0.286 25927 6425 1 11 . 1 1 58 58 GLN C C 58 175.237 175.237 174.770 0.467 25927 6426 1 11 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.484 1.355 25927 6427 1 11 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.057 -2.474 25927 6428 1 11 . 1 1 58 58 GLN H H 58 8.576 8.576 8.240 0.336 25927 6429 1 11 . 1 1 59 59 ASP N N 59 122.465 122.465 122.872 -0.407 25927 6430 1 11 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.893 -0.177 25927 6431 1 11 . 1 1 59 59 ASP C C 59 175.302 175.302 174.515 0.787 25927 6432 1 11 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.729 0.404 25927 6433 1 11 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.081 -2.628 25927 6434 1 11 . 1 1 59 59 ASP H H 59 8.343 8.343 8.237 0.106 25927 6435 1 11 . 1 1 60 60 VAL N N 60 124.577 124.577 123.714 0.863 25927 6436 1 11 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.143 -0.266 25927 6437 1 11 . 1 1 60 60 VAL C C 60 176.802 176.802 175.544 1.258 25927 6438 1 11 . 1 1 60 60 VAL CA C 60 63.781 63.781 63.012 0.769 25927 6439 1 11 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.720 -0.986 25927 6440 1 11 . 1 1 60 60 VAL H H 60 8.754 8.754 8.745 0.009 25927 6441 1 11 . 1 1 61 61 ILE N N 61 123.852 123.852 124.328 -0.476 25927 6442 1 11 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.568 -0.049 25927 6443 1 11 . 1 1 61 61 ILE C C 61 175.073 175.073 175.088 -0.015 25927 6444 1 11 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.212 -0.613 25927 6445 1 11 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.204 -1.234 25927 6446 1 11 . 1 1 61 61 ILE H H 61 8.984 8.984 8.077 0.907 25927 6447 1 11 . 1 1 62 62 PHE N N 62 119.927 119.927 120.753 -0.826 25927 6448 1 11 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.868 -0.222 25927 6449 1 11 . 1 1 62 62 PHE C C 62 171.958 171.958 172.826 -0.868 25927 6450 1 11 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.420 0.951 25927 6451 1 11 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.729 0.081 25927 6452 1 11 . 1 1 62 62 PHE H H 62 7.557 7.557 7.606 -0.049 25927 6453 1 11 . 1 1 63 63 GLN N N 63 125.524 125.524 122.451 3.073 25927 6454 1 11 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.778 0.331 25927 6455 1 11 . 1 1 63 63 GLN C C 63 172.837 172.837 173.514 -0.677 25927 6456 1 11 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.923 -0.161 25927 6457 1 11 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.779 -0.098 25927 6458 1 11 . 1 1 63 63 GLN H H 63 7.389 7.389 7.579 -0.190 25927 6459 1 11 . 1 1 64 64 THR N N 64 115.981 115.981 114.929 1.052 25927 6460 1 11 . 1 1 64 64 THR HA H 64 4.428 4.428 4.422 0.006 25927 6461 1 11 . 1 1 64 64 THR C C 64 169.980 169.980 172.005 -2.025 25927 6462 1 11 . 1 1 64 64 THR CA C 64 60.555 60.555 60.968 -0.412 25927 6463 1 11 . 1 1 64 64 THR CB C 64 69.083 69.083 71.714 -2.631 25927 6464 1 11 . 1 1 64 64 THR H H 64 8.588 8.588 8.769 -0.181 25927 6465 1 11 . 1 1 65 65 PHE N N 65 125.997 125.997 125.234 0.763 25927 6466 1 11 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.443 -0.029 25927 6467 1 11 . 1 1 65 65 PHE C C 65 173.940 173.940 174.078 -0.138 25927 6468 1 11 . 1 1 65 65 PHE CA C 65 57.250 57.250 55.444 1.806 25927 6469 1 11 . 1 1 65 65 PHE CB C 65 40.713 40.713 39.061 1.652 25927 6470 1 11 . 1 1 65 65 PHE H H 65 8.054 8.054 8.152 -0.098 25927 6471 1 11 . 1 1 66 66 LEU N N 66 127.935 127.935 127.365 0.570 25927 6472 1 11 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.375 0.077 25927 6473 1 11 . 1 1 66 66 LEU C C 66 174.502 174.502 175.129 -0.627 25927 6474 1 11 . 1 1 66 66 LEU CB C 66 43.609 43.609 43.860 -0.251 25927 6475 1 11 . 1 1 66 66 LEU H H 66 8.383 8.383 8.523 -0.140 25927 6476 1 11 . 1 1 67 67 PHE N N 67 123.162 123.162 119.153 4.009 25927 6477 1 11 . 1 1 67 67 PHE HA H 67 4.624 4.624 4.807 -0.183 25927 6478 1 11 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.731 -1.604 25927 6479 1 11 . 1 1 67 67 PHE H H 67 8.285 8.285 8.673 -0.388 25927 6480 1 11 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.447 -0.000 25927 6481 1 11 . 1 1 68 68 PRO C C 68 175.918 175.918 176.967 -1.049 25927 6482 1 11 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.105 -2.482 25927 6483 1 11 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.312 -0.091 25927 6484 1 11 . 1 1 69 69 LEU N N 69 121.360 121.360 119.621 1.739 25927 6485 1 11 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.361 -0.167 25927 6486 1 11 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.398 -0.147 25927 6487 1 11 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.354 -1.677 25927 6488 1 11 . 1 1 69 69 LEU H H 69 8.300 8.300 8.143 0.157 25927 6489 1 11 . 1 1 70 70 LYS N N 70 123.012 123.012 118.810 4.202 25927 6490 1 11 . 1 1 70 70 LYS CA C 70 55.700 55.700 56.133 -0.433 25927 6491 1 11 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.165 -3.445 25927 6492 1 11 . 1 1 70 70 LYS H H 70 8.156 8.156 7.744 0.412 25927 6493 1 11 . 1 1 71 71 ARG N N 71 125.250 125.250 123.989 1.261 25927 6494 1 11 . 1 1 71 71 ARG C C 71 179.581 179.581 176.488 3.093 25927 6495 1 11 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.526 0.692 25927 6496 1 11 . 1 1 71 71 ARG H H 71 8.279 8.279 8.781 -0.502 25927 6497 1 11 . 1 1 72 72 ASP N N 72 119.355 119.355 120.358 -1.003 25927 6498 1 11 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.466 0.280 25927 6499 1 11 . 1 1 72 72 ASP C C 72 177.124 177.124 177.088 0.036 25927 6500 1 11 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.831 -0.158 25927 6501 1 11 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.398 -0.351 25927 6502 1 11 . 1 1 72 72 ASP H H 72 8.182 8.182 8.138 0.044 25927 6503 1 11 . 1 1 73 73 PHE N N 73 122.846 122.846 121.718 1.128 25927 6504 1 11 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.057 0.073 25927 6505 1 11 . 1 1 73 73 PHE C C 73 176.729 176.729 176.777 -0.048 25927 6506 1 11 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.370 0.652 25927 6507 1 11 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.160 1.044 25927 6508 1 11 . 1 1 73 73 PHE H H 73 8.197 8.197 7.978 0.219 25927 6509 1 11 . 1 1 74 74 GLU N N 74 118.652 118.652 118.569 0.083 25927 6510 1 11 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.866 -0.022 25927 6511 1 11 . 1 1 74 74 GLU C C 74 179.310 179.310 178.687 0.623 25927 6512 1 11 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.706 0.945 25927 6513 1 11 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.346 -0.697 25927 6514 1 11 . 1 1 74 74 GLU H H 74 9.098 9.098 9.067 0.031 25927 6515 1 11 . 1 1 75 75 LYS N N 75 117.836 117.836 119.396 -1.560 25927 6516 1 11 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.073 0.006 25927 6517 1 11 . 1 1 75 75 LYS C C 75 179.312 179.312 179.311 0.001 25927 6518 1 11 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.396 -0.116 25927 6519 1 11 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.206 0.137 25927 6520 1 11 . 1 1 75 75 LYS H H 75 8.078 8.078 7.725 0.353 25927 6521 1 11 . 1 1 76 76 THR N N 76 118.581 118.581 117.540 1.041 25927 6522 1 11 . 1 1 76 76 THR HA H 76 4.168 4.168 4.120 0.048 25927 6523 1 11 . 1 1 76 76 THR C C 76 175.873 175.873 176.773 -0.900 25927 6524 1 11 . 1 1 76 76 THR CA C 76 67.009 67.009 66.899 0.110 25927 6525 1 11 . 1 1 76 76 THR CB C 76 68.404 68.404 68.538 -0.134 25927 6526 1 11 . 1 1 76 76 THR H H 76 8.031 8.031 8.401 -0.370 25927 6527 1 11 . 1 1 77 77 VAL N N 77 122.994 122.994 121.633 1.361 25927 6528 1 11 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.499 -0.107 25927 6529 1 11 . 1 1 77 77 VAL C C 77 177.137 177.137 177.559 -0.422 25927 6530 1 11 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.846 0.609 25927 6531 1 11 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.223 0.350 25927 6532 1 11 . 1 1 77 77 VAL H H 77 7.999 7.999 8.090 -0.091 25927 6533 1 11 . 1 1 78 78 VAL N N 78 117.994 117.994 118.954 -0.960 25927 6534 1 11 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.485 0.063 25927 6535 1 11 . 1 1 78 78 VAL C C 78 177.830 177.830 177.522 0.308 25927 6536 1 11 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.430 0.844 25927 6537 1 11 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.275 0.468 25927 6538 1 11 . 1 1 78 78 VAL H H 78 7.745 7.745 7.989 -0.244 25927 6539 1 11 . 1 1 79 79 ALA N N 79 120.460 120.460 121.182 -0.722 25927 6540 1 11 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.059 0.121 25927 6541 1 11 . 1 1 79 79 ALA C C 79 176.512 176.512 179.125 -2.613 25927 6542 1 11 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.913 0.188 25927 6543 1 11 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.085 0.085 25927 6544 1 11 . 1 1 79 79 ALA H H 79 7.844 7.844 8.417 -0.573 25927 6545 1 11 . 1 1 80 80 ALA N N 80 119.351 119.351 120.661 -1.310 25927 6546 1 11 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.627 -0.631 25927 6547 1 11 . 1 1 80 80 ALA C C 80 180.805 180.805 179.436 1.369 25927 6548 1 11 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.874 -0.217 25927 6549 1 11 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.443 0.915 25927 6550 1 11 . 1 1 80 80 ALA H H 80 8.178 8.178 7.977 0.201 25927 6551 1 11 . 1 1 81 81 LEU N N 81 123.041 123.041 119.471 3.570 25927 6552 1 11 . 1 1 81 81 LEU HA H 81 3.864 3.864 3.999 -0.135 25927 6553 1 11 . 1 1 81 81 LEU C C 81 179.526 179.526 179.080 0.446 25927 6554 1 11 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.733 1.152 25927 6555 1 11 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.597 0.953 25927 6556 1 11 . 1 1 81 81 LEU H H 81 8.469 8.469 7.230 1.239 25927 6557 1 11 . 1 1 82 82 ILE N N 82 119.350 119.350 118.412 0.938 25927 6558 1 11 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.564 0.263 25927 6559 1 11 . 1 1 82 82 ILE C C 82 179.375 179.375 178.178 1.197 25927 6560 1 11 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.394 -0.815 25927 6561 1 11 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.679 0.935 25927 6562 1 11 . 1 1 82 82 ILE H H 82 7.988 7.988 7.259 0.729 25927 6563 1 11 . 1 1 83 83 GLN N N 83 118.033 118.033 118.414 -0.381 25927 6564 1 11 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.936 0.257 25927 6565 1 11 . 1 1 83 83 GLN C C 83 179.932 179.932 178.637 1.295 25927 6566 1 11 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.813 0.350 25927 6567 1 11 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.056 0.638 25927 6568 1 11 . 1 1 83 83 GLN H H 83 8.665 8.665 8.193 0.472 25927 6569 1 11 . 1 1 84 84 THR N N 84 118.583 118.583 115.411 3.172 25927 6570 1 11 . 1 1 84 84 THR HA H 84 3.813 3.813 4.061 -0.248 25927 6571 1 11 . 1 1 84 84 THR C C 84 175.824 175.824 176.246 -0.422 25927 6572 1 11 . 1 1 84 84 THR CA C 84 68.515 68.515 67.602 0.913 25927 6573 1 11 . 1 1 84 84 THR CB C 84 67.514 67.514 68.791 -1.277 25927 6574 1 11 . 1 1 84 84 THR H H 84 8.355 8.355 8.245 0.110 25927 6575 1 11 . 1 1 85 85 GLU N N 85 121.547 121.547 120.795 0.752 25927 6576 1 11 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.139 0.034 25927 6577 1 11 . 1 1 85 85 GLU C C 85 178.637 178.637 178.603 0.034 25927 6578 1 11 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.142 1.234 25927 6579 1 11 . 1 1 85 85 GLU CB C 85 29.212 29.212 29.015 0.197 25927 6580 1 11 . 1 1 85 85 GLU H H 85 7.846 7.846 7.798 0.048 25927 6581 1 11 . 1 1 86 86 GLU N N 86 118.203 118.203 119.328 -1.125 25927 6582 1 11 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.047 0.057 25927 6583 1 11 . 1 1 86 86 GLU C C 86 179.080 179.080 178.863 0.217 25927 6584 1 11 . 1 1 86 86 GLU CA C 86 59.684 59.684 58.877 0.807 25927 6585 1 11 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.060 0.498 25927 6586 1 11 . 1 1 86 86 GLU H H 86 8.154 8.154 8.532 -0.378 25927 6587 1 11 . 1 1 87 87 ALA N N 87 121.242 121.242 121.771 -0.529 25927 6588 1 11 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.147 0.029 25927 6589 1 11 . 1 1 87 87 ALA C C 87 181.299 181.299 179.420 1.879 25927 6590 1 11 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.854 0.362 25927 6591 1 11 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.635 0.598 25927 6592 1 11 . 1 1 87 87 ALA H H 87 8.181 8.181 7.515 0.666 25927 6593 1 11 . 1 1 88 88 LEU N N 88 119.086 119.086 117.836 1.250 25927 6594 1 11 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.074 -0.077 25927 6595 1 11 . 1 1 88 88 LEU C C 88 179.526 179.526 178.320 1.206 25927 6596 1 11 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.217 1.331 25927 6597 1 11 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.342 -0.098 25927 6598 1 11 . 1 1 88 88 LEU H H 88 8.379 8.379 7.526 0.853 25927 6599 1 11 . 1 1 89 89 ASN N N 89 119.429 119.429 118.216 1.213 25927 6600 1 11 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.450 0.117 25927 6601 1 11 . 1 1 89 89 ASN C C 89 177.117 177.117 175.384 1.733 25927 6602 1 11 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.232 -0.228 25927 6603 1 11 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.345 0.004 25927 6604 1 11 . 1 1 89 89 ASN H H 89 8.271 8.271 8.687 -0.416 25927 6605 1 11 . 1 1 90 90 ARG N N 90 118.735 118.735 114.090 4.645 25927 6606 1 11 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.521 -0.368 25927 6607 1 11 . 1 1 90 90 ARG C C 90 177.836 177.836 176.958 0.878 25927 6608 1 11 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.069 2.506 25927 6609 1 11 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.377 -0.147 25927 6610 1 11 . 1 1 90 90 ARG H H 90 8.010 8.010 7.569 0.441 25927 6611 1 11 . 1 1 91 91 ARG N N 91 118.976 118.976 120.093 -1.117 25927 6612 1 11 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.322 -0.113 25927 6613 1 11 . 1 1 91 91 ARG C C 91 177.455 177.455 177.790 -0.335 25927 6614 1 11 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.467 -0.441 25927 6615 1 11 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.521 -0.734 25927 6616 1 11 . 1 1 91 91 ARG H H 91 7.833 7.833 7.918 -0.085 25927 6617 1 11 . 1 1 92 92 GLN N N 92 118.834 118.834 115.796 3.038 25927 6618 1 11 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.519 -0.262 25927 6619 1 11 . 1 1 92 92 GLN C C 92 177.362 177.362 177.612 -0.250 25927 6620 1 11 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.879 0.609 25927 6621 1 11 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.755 -1.623 25927 6622 1 11 . 1 1 92 92 GLN H H 92 7.988 7.988 8.106 -0.118 25927 6623 1 11 . 1 1 93 93 ILE N N 93 120.499 120.499 121.779 -1.280 25927 6624 1 11 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.748 0.268 25927 6625 1 11 . 1 1 93 93 ILE C C 93 177.002 177.002 176.928 0.074 25927 6626 1 11 . 1 1 93 93 ILE CA C 93 62.861 62.861 65.061 -2.200 25927 6627 1 11 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.476 1.092 25927 6628 1 11 . 1 1 93 93 ILE H H 93 7.976 7.976 7.886 0.090 25927 6629 1 11 . 1 1 94 94 ASN N N 94 120.172 120.172 118.946 1.226 25927 6630 1 11 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.306 0.333 25927 6631 1 11 . 1 1 94 94 ASN C C 94 176.336 176.336 177.737 -1.401 25927 6632 1 11 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.077 -2.760 25927 6633 1 11 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.547 0.053 25927 6634 1 11 . 1 1 94 94 ASN H H 94 8.272 8.272 8.428 -0.156 25927 6635 1 11 . 1 1 95 95 GLN N N 95 120.288 120.288 119.210 1.078 25927 6636 1 11 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.083 0.097 25927 6637 1 11 . 1 1 95 95 GLN C C 95 176.701 176.701 177.963 -1.262 25927 6638 1 11 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.600 -1.421 25927 6639 1 11 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.667 0.329 25927 6640 1 11 . 1 1 95 95 GLN H H 95 8.303 8.303 7.592 0.711 25927 6641 1 11 . 1 1 96 96 ALA N N 96 123.219 123.219 122.436 0.783 25927 6642 1 11 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.083 0.178 25927 6643 1 11 . 1 1 96 96 ALA C C 96 178.429 178.429 179.878 -1.449 25927 6644 1 11 . 1 1 96 96 ALA CA C 96 53.432 53.432 55.038 -1.606 25927 6645 1 11 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.660 0.113 25927 6646 1 11 . 1 1 96 96 ALA H H 96 8.112 8.112 7.530 0.582 25927 6647 1 11 . 1 1 97 97 LEU N N 97 119.452 119.452 117.277 2.175 25927 6648 1 11 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.064 0.237 25927 6649 1 11 . 1 1 97 97 LEU C C 97 177.834 177.834 178.940 -1.106 25927 6650 1 11 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.876 -2.130 25927 6651 1 11 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.465 0.825 25927 6652 1 11 . 1 1 97 97 LEU H H 97 7.932 7.932 8.374 -0.442 25927 6653 1 11 . 1 1 98 98 LEU N N 98 121.124 121.124 121.395 -0.271 25927 6654 1 11 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.205 0.172 25927 6655 1 11 . 1 1 98 98 LEU C C 98 177.729 177.729 178.458 -0.729 25927 6656 1 11 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.039 -1.613 25927 6657 1 11 . 1 1 98 98 LEU CB C 98 42.406 42.406 41.920 0.486 25927 6658 1 11 . 1 1 98 98 LEU H H 98 7.947 7.947 7.790 0.157 25927 6659 1 11 . 1 1 99 99 SER N N 99 115.913 115.913 116.146 -0.233 25927 6660 1 11 . 1 1 99 99 SER HA H 99 4.525 4.525 4.444 0.081 25927 6661 1 11 . 1 1 99 99 SER C C 99 174.980 174.980 173.546 1.434 25927 6662 1 11 . 1 1 99 99 SER CA C 99 58.478 58.478 58.406 0.072 25927 6663 1 11 . 1 1 99 99 SER CB C 99 63.839 63.839 62.328 1.511 25927 6664 1 11 . 1 1 99 99 SER H H 99 8.238 8.238 7.898 0.340 25927 6665 1 11 . 1 1 100 100 THR N N 100 114.610 114.610 114.514 0.096 25927 6666 1 11 . 1 1 100 100 THR HA H 100 4.361 4.361 4.035 0.326 25927 6667 1 11 . 1 1 100 100 THR C C 100 175.368 175.368 174.496 0.872 25927 6668 1 11 . 1 1 100 100 THR CA C 100 62.195 62.195 63.422 -1.227 25927 6669 1 11 . 1 1 100 100 THR CB C 100 69.794 69.794 67.009 2.785 25927 6670 1 11 . 1 1 100 100 THR H H 100 8.140 8.140 7.722 0.418 25927 6671 1 11 . 1 1 101 101 GLY N N 101 110.650 110.650 108.112 2.538 25927 6672 1 11 . 1 1 101 101 GLY C C 101 173.935 173.935 174.180 -0.245 25927 6673 1 11 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.654 0.839 25927 6674 1 11 . 1 1 101 101 GLY H H 101 8.353 8.353 7.877 0.476 25927 6675 1 11 . 1 1 102 102 ASP N N 102 120.512 120.512 119.993 0.519 25927 6676 1 11 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.664 -0.061 25927 6677 1 11 . 1 1 102 102 ASP C C 102 176.419 176.419 177.511 -1.092 25927 6678 1 11 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.451 -0.160 25927 6679 1 11 . 1 1 102 102 ASP CB C 102 41.277 41.277 41.879 -0.602 25927 6680 1 11 . 1 1 102 102 ASP H H 102 8.204 8.204 7.983 0.221 25927 6681 1 11 . 1 1 103 103 LEU N N 103 122.331 122.331 119.271 3.060 25927 6682 1 11 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.097 0.161 25927 6683 1 11 . 1 1 103 103 LEU C C 103 177.394 177.394 175.213 2.181 25927 6684 1 11 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.164 0.364 25927 6685 1 11 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.401 -0.173 25927 6686 1 11 . 1 1 103 103 LEU H H 103 8.170 8.170 7.906 0.264 25927 6687 1 11 . 1 1 104 104 ALA N N 104 123.139 123.139 119.580 3.559 25927 6688 1 11 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.601 -0.401 25927 6689 1 11 . 1 1 104 104 ALA C C 104 177.730 177.730 176.084 1.646 25927 6690 1 11 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.527 1.247 25927 6691 1 11 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.758 -0.753 25927 6692 1 11 . 1 1 104 104 ALA H H 104 8.150 8.150 8.184 -0.034 25927 6693 1 11 . 1 1 105 105 HIS N N 105 117.105 117.105 118.310 -1.205 25927 6694 1 11 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.645 -0.004 25927 6695 1 11 . 1 1 105 105 HIS C C 105 174.414 174.414 175.318 -0.904 25927 6696 1 11 . 1 1 105 105 HIS CA C 105 55.520 55.520 54.025 1.495 25927 6697 1 11 . 1 1 105 105 HIS CB C 105 29.278 29.278 28.993 0.285 25927 6698 1 11 . 1 1 105 105 HIS H H 105 8.239 8.239 7.765 0.474 25927 6699 1 11 . 1 1 106 106 ASP N N 106 121.315 121.315 124.214 -2.899 25927 6700 1 11 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.393 0.210 25927 6701 1 11 . 1 1 106 106 ASP C C 106 176.370 176.370 176.328 0.042 25927 6702 1 11 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.894 -0.575 25927 6703 1 11 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.035 1.379 25927 6704 1 11 . 1 1 106 106 ASP H H 106 8.298 8.298 8.943 -0.645 25927 6705 1 11 . 1 1 107 107 GLU N N 107 121.228 121.228 117.248 3.980 25927 6706 1 11 . 1 1 107 107 GLU HA H 107 4.108 4.108 3.992 0.116 25927 6707 1 11 . 1 1 107 107 GLU C C 107 176.248 176.248 175.979 0.269 25927 6708 1 11 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.943 -0.751 25927 6709 1 11 . 1 1 107 107 GLU CB C 107 30.095 30.095 29.987 0.108 25927 6710 1 11 . 1 1 107 107 GLU H H 107 8.536 8.536 8.774 -0.238 25927 6711 1 12 . 1 1 2 2 VAL N N 2 119.413 119.413 119.972 -0.559 25927 6712 1 12 . 1 1 2 2 VAL HA H 2 4.132 4.132 3.818 0.314 25927 6713 1 12 . 1 1 2 2 VAL C C 2 175.957 175.957 175.069 0.888 25927 6714 1 12 . 1 1 2 2 VAL CA C 2 62.517 62.517 63.099 -0.582 25927 6715 1 12 . 1 1 2 2 VAL CB C 2 32.676 32.676 31.432 1.244 25927 6716 1 12 . 1 1 2 2 VAL H H 2 8.453 8.453 8.024 0.429 25927 6717 1 12 . 1 1 3 3 GLU N N 3 125.255 125.255 119.790 5.465 25927 6718 1 12 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.552 -0.204 25927 6719 1 12 . 1 1 3 3 GLU C C 3 176.154 176.154 175.790 0.364 25927 6720 1 12 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.013 0.456 25927 6721 1 12 . 1 1 3 3 GLU CB C 3 30.382 30.382 30.452 -0.070 25927 6722 1 12 . 1 1 3 3 GLU H H 3 8.587 8.587 8.340 0.247 25927 6723 1 12 . 1 1 4 4 VAL N N 4 121.132 121.132 120.567 0.565 25927 6724 1 12 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.230 -0.109 25927 6725 1 12 . 1 1 4 4 VAL C C 4 175.762 175.762 175.587 0.175 25927 6726 1 12 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.403 0.625 25927 6727 1 12 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.188 -1.132 25927 6728 1 12 . 1 1 4 4 VAL H H 4 8.172 8.172 7.619 0.553 25927 6729 1 12 . 1 1 5 5 GLU N N 5 125.223 125.223 124.849 0.374 25927 6730 1 12 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.282 0.042 25927 6731 1 12 . 1 1 5 5 GLU C C 5 176.006 176.006 176.146 -0.140 25927 6732 1 12 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.613 -0.224 25927 6733 1 12 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.016 2.403 25927 6734 1 12 . 1 1 5 5 GLU H H 5 8.472 8.472 8.754 -0.282 25927 6735 1 12 . 1 1 6 6 VAL N N 6 123.435 123.435 121.145 2.290 25927 6736 1 12 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.940 0.496 25927 6737 1 12 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.647 -4.901 25927 6738 1 12 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.790 1.948 25927 6739 1 12 . 1 1 6 6 VAL H H 6 8.288 8.288 8.046 0.242 25927 6740 1 12 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.604 -0.168 25927 6741 1 12 . 1 1 7 7 PRO C C 7 177.461 177.461 176.473 0.988 25927 6742 1 12 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.319 1.026 25927 6743 1 12 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.778 -0.473 25927 6744 1 12 . 1 1 8 8 GLY N N 8 108.925 108.925 106.408 2.517 25927 6745 1 12 . 1 1 8 8 GLY C C 8 173.995 173.995 173.289 0.706 25927 6746 1 12 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.941 0.485 25927 6747 1 12 . 1 1 8 8 GLY H H 8 8.334 8.334 8.220 0.114 25927 6748 1 12 . 1 1 9 9 LEU N N 9 121.559 121.559 121.142 0.417 25927 6749 1 12 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.759 -0.300 25927 6750 1 12 . 1 1 9 9 LEU C C 9 176.870 176.870 175.741 1.129 25927 6751 1 12 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.411 1.210 25927 6752 1 12 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.200 0.848 25927 6753 1 12 . 1 1 9 9 LEU H H 9 8.150 8.150 8.515 -0.365 25927 6754 1 12 . 1 1 10 10 LEU N N 10 122.690 122.690 122.517 0.173 25927 6755 1 12 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.415 0.746 25927 6756 1 12 . 1 1 10 10 LEU C C 10 177.427 177.427 177.200 0.227 25927 6757 1 12 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.756 -1.894 25927 6758 1 12 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.866 1.782 25927 6759 1 12 . 1 1 10 10 LEU H H 10 8.348 8.348 7.740 0.608 25927 6760 1 12 . 1 1 11 11 THR N N 11 124.118 124.118 119.478 4.640 25927 6761 1 12 . 1 1 11 11 THR HA H 11 4.295 4.295 4.551 -0.256 25927 6762 1 12 . 1 1 11 11 THR C C 11 172.853 172.853 173.972 -1.119 25927 6763 1 12 . 1 1 11 11 THR CA C 11 63.577 63.577 61.254 2.323 25927 6764 1 12 . 1 1 11 11 THR CB C 11 69.325 69.325 71.589 -2.264 25927 6765 1 12 . 1 1 11 11 THR H H 11 9.186 9.186 8.085 1.101 25927 6766 1 12 . 1 1 12 12 ASP N N 12 127.226 127.226 126.349 0.877 25927 6767 1 12 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.823 0.474 25927 6768 1 12 . 1 1 12 12 ASP C C 12 176.060 176.060 175.643 0.417 25927 6769 1 12 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.794 -0.015 25927 6770 1 12 . 1 1 12 12 ASP CB C 12 39.044 39.044 38.256 0.788 25927 6771 1 12 . 1 1 12 12 ASP H H 12 8.880 8.880 8.488 0.392 25927 6772 1 12 . 1 1 13 13 HIS N N 13 127.146 127.146 119.350 7.796 25927 6773 1 12 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.297 1.011 25927 6774 1 12 . 1 1 13 13 HIS C C 13 175.365 175.365 174.873 0.492 25927 6775 1 12 . 1 1 13 13 HIS CA C 13 53.158 53.158 57.387 -4.229 25927 6776 1 12 . 1 1 13 13 HIS CB C 13 28.954 28.954 30.239 -1.285 25927 6777 1 12 . 1 1 13 13 HIS H H 13 8.867 8.867 7.992 0.875 25927 6778 1 12 . 1 1 14 14 THR N N 14 112.885 112.885 109.325 3.560 25927 6779 1 12 . 1 1 14 14 THR HA H 14 4.522 4.522 4.393 0.129 25927 6780 1 12 . 1 1 14 14 THR C C 14 174.626 174.626 174.167 0.459 25927 6781 1 12 . 1 1 14 14 THR CA C 14 63.245 63.245 61.293 1.952 25927 6782 1 12 . 1 1 14 14 THR CB C 14 70.178 70.178 69.636 0.542 25927 6783 1 12 . 1 1 14 14 THR H H 14 8.583 8.583 7.562 1.021 25927 6784 1 12 . 1 1 15 15 VAL N N 15 113.207 113.207 123.901 -10.694 25927 6785 1 12 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.441 0.204 25927 6786 1 12 . 1 1 15 15 VAL C C 15 175.216 175.216 174.211 1.005 25927 6787 1 12 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.431 0.833 25927 6788 1 12 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.999 2.381 25927 6789 1 12 . 1 1 15 15 VAL H H 15 9.104 9.104 8.438 0.666 25927 6790 1 12 . 1 1 16 16 SER N N 16 122.970 122.970 114.865 8.105 25927 6791 1 12 . 1 1 16 16 SER HA H 16 4.196 4.196 4.639 -0.443 25927 6792 1 12 . 1 1 16 16 SER C C 16 174.515 174.515 175.487 -0.972 25927 6793 1 12 . 1 1 16 16 SER CA C 16 57.126 57.126 56.467 0.659 25927 6794 1 12 . 1 1 16 16 SER CB C 16 67.073 67.073 65.133 1.940 25927 6795 1 12 . 1 1 16 16 SER H H 16 9.340 9.340 7.824 1.516 25927 6796 1 12 . 1 1 17 17 SER N N 17 116.643 116.643 122.188 -5.545 25927 6797 1 12 . 1 1 17 17 SER HA H 17 4.157 4.157 4.285 -0.128 25927 6798 1 12 . 1 1 17 17 SER C C 17 176.576 176.576 175.753 0.823 25927 6799 1 12 . 1 1 17 17 SER CA C 17 62.451 62.451 61.540 0.911 25927 6800 1 12 . 1 1 17 17 SER CB C 17 62.539 62.539 63.001 -0.462 25927 6801 1 12 . 1 1 17 17 SER H H 17 8.926 8.926 8.908 0.018 25927 6802 1 12 . 1 1 18 18 ILE N N 18 120.198 120.198 114.275 5.923 25927 6803 1 12 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.389 -0.318 25927 6804 1 12 . 1 1 18 18 ILE C C 18 177.925 177.925 177.603 0.322 25927 6805 1 12 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.424 1.957 25927 6806 1 12 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.114 -0.534 25927 6807 1 12 . 1 1 18 18 ILE H H 18 7.848 7.848 7.488 0.360 25927 6808 1 12 . 1 1 19 19 GLY N N 19 111.905 111.905 108.831 3.074 25927 6809 1 12 . 1 1 19 19 GLY C C 19 176.153 176.153 176.261 -0.108 25927 6810 1 12 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.295 -0.455 25927 6811 1 12 . 1 1 19 19 GLY H H 19 7.921 7.921 8.116 -0.195 25927 6812 1 12 . 1 1 20 20 HIS N N 20 120.808 120.808 121.464 -0.656 25927 6813 1 12 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.542 0.220 25927 6814 1 12 . 1 1 20 20 HIS C C 20 178.606 178.606 177.162 1.444 25927 6815 1 12 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.428 -1.570 25927 6816 1 12 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.213 -2.498 25927 6817 1 12 . 1 1 20 20 HIS H H 20 8.842 8.842 8.603 0.239 25927 6818 1 12 . 1 1 21 21 ASP N N 21 121.572 121.572 119.663 1.909 25927 6819 1 12 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.496 0.038 25927 6820 1 12 . 1 1 21 21 ASP C C 21 179.630 179.630 178.568 1.062 25927 6821 1 12 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.002 0.503 25927 6822 1 12 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.360 -0.595 25927 6823 1 12 . 1 1 21 21 ASP H H 21 8.592 8.592 7.728 0.864 25927 6824 1 12 . 1 1 22 22 PHE N N 22 123.889 123.889 122.741 1.148 25927 6825 1 12 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.136 -0.041 25927 6826 1 12 . 1 1 22 22 PHE C C 22 175.647 175.647 176.715 -1.068 25927 6827 1 12 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.187 0.741 25927 6828 1 12 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.331 -0.184 25927 6829 1 12 . 1 1 22 22 PHE H H 22 8.790 8.790 8.896 -0.105 25927 6830 1 12 . 1 1 23 23 TYR N N 23 119.855 119.855 120.007 -0.152 25927 6831 1 12 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.972 -0.191 25927 6832 1 12 . 1 1 23 23 TYR C C 23 177.585 177.585 177.357 0.228 25927 6833 1 12 . 1 1 23 23 TYR CA C 23 62.973 62.973 63.019 -0.046 25927 6834 1 12 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.499 -0.120 25927 6835 1 12 . 1 1 23 23 TYR H H 23 9.008 9.008 7.986 1.022 25927 6836 1 12 . 1 1 24 24 ARG N N 24 120.673 120.673 118.380 2.293 25927 6837 1 12 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.883 -0.165 25927 6838 1 12 . 1 1 24 24 ARG C C 24 177.149 177.149 178.707 -1.558 25927 6839 1 12 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.198 0.162 25927 6840 1 12 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.300 0.134 25927 6841 1 12 . 1 1 24 24 ARG H H 24 8.576 8.576 7.646 0.930 25927 6842 1 12 . 1 1 25 25 ALA N N 25 120.718 120.718 122.789 -2.071 25927 6843 1 12 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.106 0.005 25927 6844 1 12 . 1 1 25 25 ALA C C 25 179.502 179.502 179.086 0.416 25927 6845 1 12 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.865 -0.056 25927 6846 1 12 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.572 0.818 25927 6847 1 12 . 1 1 25 25 ALA H H 25 8.080 8.080 8.432 -0.352 25927 6848 1 12 . 1 1 26 26 PHE N N 26 118.193 118.193 119.116 -0.923 25927 6849 1 12 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.832 -0.334 25927 6850 1 12 . 1 1 26 26 PHE C C 26 177.120 177.120 176.827 0.293 25927 6851 1 12 . 1 1 26 26 PHE CA C 26 61.297 61.297 61.143 0.154 25927 6852 1 12 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.197 0.710 25927 6853 1 12 . 1 1 26 26 PHE H H 26 8.467 8.467 8.207 0.260 25927 6854 1 12 . 1 1 27 27 SER N N 27 112.572 112.572 113.854 -1.282 25927 6855 1 12 . 1 1 27 27 SER HA H 27 3.845 3.845 4.235 -0.390 25927 6856 1 12 . 1 1 27 27 SER C C 27 176.828 176.828 176.462 0.366 25927 6857 1 12 . 1 1 27 27 SER CA C 27 61.656 61.656 61.024 0.632 25927 6858 1 12 . 1 1 27 27 SER CB C 27 62.952 62.952 62.859 0.093 25927 6859 1 12 . 1 1 27 27 SER H H 27 8.477 8.477 8.028 0.449 25927 6860 1 12 . 1 1 28 28 ASP N N 28 119.022 119.022 121.539 -2.517 25927 6861 1 12 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.503 -0.079 25927 6862 1 12 . 1 1 28 28 ASP C C 28 177.325 177.325 177.345 -0.020 25927 6863 1 12 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.417 0.240 25927 6864 1 12 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.957 0.317 25927 6865 1 12 . 1 1 28 28 ASP H H 28 8.019 8.019 8.107 -0.088 25927 6866 1 12 . 1 1 29 29 LYS N N 29 115.330 115.330 115.681 -0.351 25927 6867 1 12 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.380 -0.021 25927 6868 1 12 . 1 1 29 29 LYS C C 29 175.910 175.910 176.371 -0.461 25927 6869 1 12 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.315 -0.151 25927 6870 1 12 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.672 2.639 25927 6871 1 12 . 1 1 29 29 LYS H H 29 6.910 6.910 7.529 -0.619 25927 6872 1 12 . 1 1 30 30 TRP N N 30 122.847 122.847 123.629 -0.782 25927 6873 1 12 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.105 0.072 25927 6874 1 12 . 1 1 30 30 TRP C C 30 175.188 175.188 175.079 0.109 25927 6875 1 12 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.781 -0.740 25927 6876 1 12 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.645 0.275 25927 6877 1 12 . 1 1 30 30 TRP H H 30 7.638 7.638 7.573 0.065 25927 6878 1 12 . 1 1 31 31 GLU N N 31 128.182 128.182 125.571 2.611 25927 6879 1 12 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.037 0.122 25927 6880 1 12 . 1 1 31 31 GLU C C 31 173.960 173.960 173.765 0.195 25927 6881 1 12 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.293 -0.179 25927 6882 1 12 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.232 -0.149 25927 6883 1 12 . 1 1 31 31 GLU H H 31 7.426 7.426 7.283 0.143 25927 6884 1 12 . 1 1 32 32 SER N N 32 115.672 115.672 118.843 -3.171 25927 6885 1 12 . 1 1 32 32 SER HA H 32 4.100 4.100 4.531 -0.431 25927 6886 1 12 . 1 1 32 32 SER C C 32 173.864 173.864 173.687 0.177 25927 6887 1 12 . 1 1 32 32 SER CA C 32 57.344 57.344 57.384 -0.040 25927 6888 1 12 . 1 1 32 32 SER CB C 32 64.220 64.220 65.730 -1.510 25927 6889 1 12 . 1 1 32 32 SER H H 32 7.276 7.276 7.996 -0.720 25927 6890 1 12 . 1 1 33 33 ASP N N 33 123.759 123.759 120.094 3.665 25927 6891 1 12 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.808 -0.185 25927 6892 1 12 . 1 1 33 33 ASP C C 33 176.175 176.175 176.175 0.000 25927 6893 1 12 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.770 -0.641 25927 6894 1 12 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.562 -0.952 25927 6895 1 12 . 1 1 33 33 ASP H H 33 8.429 8.429 8.670 -0.241 25927 6896 1 12 . 1 1 34 34 TYR N N 34 122.283 122.283 119.062 3.221 25927 6897 1 12 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.861 -0.287 25927 6898 1 12 . 1 1 34 34 TYR C C 34 177.025 177.025 175.773 1.252 25927 6899 1 12 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.110 1.707 25927 6900 1 12 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.079 0.055 25927 6901 1 12 . 1 1 34 34 TYR H H 34 8.649 8.649 7.654 0.995 25927 6902 1 12 . 1 1 35 35 THR N N 35 116.852 116.852 112.528 4.324 25927 6903 1 12 . 1 1 35 35 THR HA H 35 4.311 4.311 4.164 0.147 25927 6904 1 12 . 1 1 35 35 THR C C 35 174.704 174.704 174.179 0.525 25927 6905 1 12 . 1 1 35 35 THR CA C 35 61.364 61.364 63.079 -1.715 25927 6906 1 12 . 1 1 35 35 THR CB C 35 69.454 69.454 68.717 0.737 25927 6907 1 12 . 1 1 35 35 THR H H 35 8.067 8.067 8.455 -0.388 25927 6908 1 12 . 1 1 36 36 GLY N N 36 107.698 107.698 107.486 0.212 25927 6909 1 12 . 1 1 36 36 GLY C C 36 171.455 171.455 174.191 -2.736 25927 6910 1 12 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.063 -0.545 25927 6911 1 12 . 1 1 36 36 GLY H H 36 5.732 5.732 6.624 -0.892 25927 6912 1 12 . 1 1 37 37 ASN N N 37 117.424 117.424 118.954 -1.530 25927 6913 1 12 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.722 0.263 25927 6914 1 12 . 1 1 37 37 ASN C C 37 175.393 175.393 173.667 1.726 25927 6915 1 12 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.267 0.566 25927 6916 1 12 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.278 3.235 25927 6917 1 12 . 1 1 37 37 ASN H H 37 8.346 8.346 8.495 -0.149 25927 6918 1 12 . 1 1 38 38 LEU N N 38 126.809 126.809 118.666 8.143 25927 6919 1 12 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.634 -0.636 25927 6920 1 12 . 1 1 38 38 LEU C C 38 175.770 175.770 175.322 0.448 25927 6921 1 12 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.813 2.201 25927 6922 1 12 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.636 -0.570 25927 6923 1 12 . 1 1 38 38 LEU H H 38 8.469 8.469 7.754 0.715 25927 6924 1 12 . 1 1 39 39 THR N N 39 119.369 119.369 114.042 5.327 25927 6925 1 12 . 1 1 39 39 THR HA H 39 4.799 4.799 4.887 -0.088 25927 6926 1 12 . 1 1 39 39 THR C C 39 172.224 172.224 172.645 -0.421 25927 6927 1 12 . 1 1 39 39 THR CA C 39 61.958 61.958 60.570 1.388 25927 6928 1 12 . 1 1 39 39 THR CB C 39 70.327 70.327 72.017 -1.690 25927 6929 1 12 . 1 1 39 39 THR H H 39 8.849 8.849 8.847 0.002 25927 6930 1 12 . 1 1 40 40 ILE N N 40 125.490 125.490 123.599 1.891 25927 6931 1 12 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.369 0.151 25927 6932 1 12 . 1 1 40 40 ILE C C 40 173.125 173.125 173.767 -0.642 25927 6933 1 12 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.308 0.873 25927 6934 1 12 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.355 -2.905 25927 6935 1 12 . 1 1 40 40 ILE H H 40 8.562 8.562 7.928 0.635 25927 6936 1 12 . 1 1 41 41 ASN N N 41 124.656 124.656 123.568 1.088 25927 6937 1 12 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.212 -0.312 25927 6938 1 12 . 1 1 41 41 ASN C C 41 173.445 173.445 173.520 -0.075 25927 6939 1 12 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.861 0.218 25927 6940 1 12 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.450 -0.334 25927 6941 1 12 . 1 1 41 41 ASN H H 41 9.173 9.173 8.683 0.490 25927 6942 1 12 . 1 1 42 42 GLU N N 42 120.095 120.095 122.167 -2.072 25927 6943 1 12 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.293 0.092 25927 6944 1 12 . 1 1 42 42 GLU C C 42 173.971 173.971 175.385 -1.414 25927 6945 1 12 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.727 -0.597 25927 6946 1 12 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.305 2.152 25927 6947 1 12 . 1 1 42 42 GLU H H 42 7.741 7.741 8.707 -0.966 25927 6948 1 12 . 1 1 43 43 ARG N N 43 127.178 127.178 121.784 5.394 25927 6949 1 12 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.818 0.215 25927 6950 1 12 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.338 0.357 25927 6951 1 12 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.639 -0.151 25927 6952 1 12 . 1 1 43 43 ARG H H 43 9.039 9.039 8.705 0.334 25927 6953 1 12 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.654 0.073 25927 6954 1 12 . 1 1 44 44 PRO C C 44 176.335 176.335 176.007 0.328 25927 6955 1 12 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.798 0.544 25927 6956 1 12 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.020 0.654 25927 6957 1 12 . 1 1 45 45 SER N N 45 117.089 117.089 122.738 -5.649 25927 6958 1 12 . 1 1 45 45 SER HA H 45 4.837 4.837 4.723 0.114 25927 6959 1 12 . 1 1 45 45 SER C C 45 174.334 174.334 174.611 -0.277 25927 6960 1 12 . 1 1 45 45 SER CA C 45 56.688 56.688 57.554 -0.866 25927 6961 1 12 . 1 1 45 45 SER CB C 45 64.628 64.628 64.171 0.457 25927 6962 1 12 . 1 1 45 45 SER H H 45 8.497 8.497 8.905 -0.408 25927 6963 1 12 . 1 1 46 46 ALA N N 46 126.901 126.901 127.257 -0.356 25927 6964 1 12 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.060 0.162 25927 6965 1 12 . 1 1 46 46 ALA C C 46 178.171 178.171 178.426 -0.255 25927 6966 1 12 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.238 -0.150 25927 6967 1 12 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.944 -0.352 25927 6968 1 12 . 1 1 46 46 ALA H H 46 8.780 8.780 8.661 0.119 25927 6969 1 12 . 1 1 47 47 ARG N N 47 117.860 117.860 116.986 0.874 25927 6970 1 12 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.160 0.250 25927 6971 1 12 . 1 1 47 47 ARG C C 47 175.674 175.674 176.490 -0.816 25927 6972 1 12 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.013 -1.761 25927 6973 1 12 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.600 0.986 25927 6974 1 12 . 1 1 47 47 ARG H H 47 8.381 8.381 7.995 0.386 25927 6975 1 12 . 1 1 48 48 ALA N N 48 121.099 121.099 117.661 3.438 25927 6976 1 12 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.642 -0.223 25927 6977 1 12 . 1 1 48 48 ALA C C 48 176.874 176.874 175.952 0.922 25927 6978 1 12 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.194 1.074 25927 6979 1 12 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.647 -1.866 25927 6980 1 12 . 1 1 48 48 ALA H H 48 8.012 8.012 8.219 -0.207 25927 6981 1 12 . 1 1 49 49 GLY N N 49 106.126 106.126 107.180 -1.054 25927 6982 1 12 . 1 1 49 49 GLY C C 49 172.803 172.803 172.073 0.730 25927 6983 1 12 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.980 -1.490 25927 6984 1 12 . 1 1 49 49 GLY H H 49 7.946 7.946 8.516 -0.570 25927 6985 1 12 . 1 1 50 50 SER N N 50 113.972 113.972 116.023 -2.051 25927 6986 1 12 . 1 1 50 50 SER HA H 50 4.736 4.736 5.127 -0.391 25927 6987 1 12 . 1 1 50 50 SER C C 50 171.367 171.367 172.537 -1.170 25927 6988 1 12 . 1 1 50 50 SER CA C 50 57.165 57.165 56.191 0.973 25927 6989 1 12 . 1 1 50 50 SER CB C 50 66.797 66.797 66.280 0.517 25927 6990 1 12 . 1 1 50 50 SER H H 50 7.631 7.631 8.211 -0.580 25927 6991 1 12 . 1 1 51 51 TRP N N 51 121.787 121.787 123.338 -1.551 25927 6992 1 12 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.217 0.639 25927 6993 1 12 . 1 1 51 51 TRP C C 51 176.055 176.055 175.816 0.239 25927 6994 1 12 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.253 -0.460 25927 6995 1 12 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.514 0.020 25927 6996 1 12 . 1 1 51 51 TRP H H 51 8.588 8.588 8.584 0.004 25927 6997 1 12 . 1 1 52 52 ILE N N 52 126.898 126.898 124.872 2.026 25927 6998 1 12 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.799 0.272 25927 6999 1 12 . 1 1 52 52 ILE C C 52 175.754 175.754 175.121 0.633 25927 7000 1 12 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.576 -1.843 25927 7001 1 12 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.237 0.118 25927 7002 1 12 . 1 1 52 52 ILE H H 52 8.963 8.963 9.081 -0.118 25927 7003 1 12 . 1 1 53 53 THR N N 53 116.271 116.271 123.642 -7.371 25927 7004 1 12 . 1 1 53 53 THR HA H 53 5.095 5.095 4.785 0.310 25927 7005 1 12 . 1 1 53 53 THR C C 53 173.382 173.382 172.811 0.571 25927 7006 1 12 . 1 1 53 53 THR CA C 53 59.290 59.290 61.769 -2.479 25927 7007 1 12 . 1 1 53 53 THR CB C 53 71.819 71.819 70.910 0.909 25927 7008 1 12 . 1 1 53 53 THR H H 53 8.371 8.371 9.146 -0.775 25927 7009 1 12 . 1 1 54 54 ILE N N 54 124.947 124.947 129.630 -4.683 25927 7010 1 12 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.071 0.112 25927 7011 1 12 . 1 1 54 54 ILE C C 54 175.952 175.952 173.876 2.076 25927 7012 1 12 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.299 2.295 25927 7013 1 12 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.844 -2.227 25927 7014 1 12 . 1 1 54 54 ILE H H 54 9.056 9.056 9.028 0.028 25927 7015 1 12 . 1 1 55 55 THR N N 55 118.298 118.298 123.060 -4.762 25927 7016 1 12 . 1 1 55 55 THR HA H 55 5.458 5.458 5.099 0.359 25927 7017 1 12 . 1 1 55 55 THR C C 55 173.980 173.980 173.541 0.439 25927 7018 1 12 . 1 1 55 55 THR CA C 55 58.717 58.717 59.751 -1.034 25927 7019 1 12 . 1 1 55 55 THR CB C 55 71.839 71.839 71.018 0.821 25927 7020 1 12 . 1 1 55 55 THR H H 55 9.250 9.250 8.841 0.409 25927 7021 1 12 . 1 1 56 56 VAL N N 56 120.047 120.047 125.886 -5.839 25927 7022 1 12 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.716 -0.296 25927 7023 1 12 . 1 1 56 56 VAL C C 56 176.226 176.226 176.513 -0.287 25927 7024 1 12 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.642 -0.601 25927 7025 1 12 . 1 1 56 56 VAL CB C 56 33.761 33.761 32.004 1.758 25927 7026 1 12 . 1 1 56 56 VAL H H 56 8.435 8.435 8.800 -0.365 25927 7027 1 12 . 1 1 57 57 ASN N N 57 125.479 125.479 126.855 -1.376 25927 7028 1 12 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.242 -0.047 25927 7029 1 12 . 1 1 57 57 ASN C C 57 175.026 175.026 175.534 -0.508 25927 7030 1 12 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.553 -0.857 25927 7031 1 12 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.345 -0.346 25927 7032 1 12 . 1 1 57 57 ASN H H 57 9.199 9.199 9.365 -0.166 25927 7033 1 12 . 1 1 58 58 GLN N N 58 116.897 116.897 116.277 0.620 25927 7034 1 12 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.462 -0.276 25927 7035 1 12 . 1 1 58 58 GLN C C 58 175.237 175.237 174.768 0.469 25927 7036 1 12 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.476 1.363 25927 7037 1 12 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.049 -2.466 25927 7038 1 12 . 1 1 58 58 GLN H H 58 8.576 8.576 8.231 0.345 25927 7039 1 12 . 1 1 59 59 ASP N N 59 122.465 122.465 122.813 -0.348 25927 7040 1 12 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.886 -0.170 25927 7041 1 12 . 1 1 59 59 ASP C C 59 175.302 175.302 174.478 0.824 25927 7042 1 12 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.720 0.413 25927 7043 1 12 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.122 -2.669 25927 7044 1 12 . 1 1 59 59 ASP H H 59 8.343 8.343 8.232 0.111 25927 7045 1 12 . 1 1 60 60 VAL N N 60 124.577 124.577 123.472 1.105 25927 7046 1 12 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.128 -0.251 25927 7047 1 12 . 1 1 60 60 VAL C C 60 176.802 176.802 175.602 1.200 25927 7048 1 12 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.927 0.854 25927 7049 1 12 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.728 -0.994 25927 7050 1 12 . 1 1 60 60 VAL H H 60 8.754 8.754 8.716 0.038 25927 7051 1 12 . 1 1 61 61 ILE N N 61 123.852 123.852 124.344 -0.492 25927 7052 1 12 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.560 -0.041 25927 7053 1 12 . 1 1 61 61 ILE C C 61 175.073 175.073 175.105 -0.032 25927 7054 1 12 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.163 -0.564 25927 7055 1 12 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.174 -1.204 25927 7056 1 12 . 1 1 61 61 ILE H H 61 8.984 8.984 8.049 0.935 25927 7057 1 12 . 1 1 62 62 PHE N N 62 119.927 119.927 120.840 -0.913 25927 7058 1 12 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.855 -0.209 25927 7059 1 12 . 1 1 62 62 PHE C C 62 171.958 171.958 172.801 -0.843 25927 7060 1 12 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.414 0.957 25927 7061 1 12 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.710 0.100 25927 7062 1 12 . 1 1 62 62 PHE H H 62 7.557 7.557 7.593 -0.036 25927 7063 1 12 . 1 1 63 63 GLN N N 63 125.524 125.524 122.734 2.790 25927 7064 1 12 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.811 0.298 25927 7065 1 12 . 1 1 63 63 GLN C C 63 172.837 172.837 173.542 -0.705 25927 7066 1 12 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.872 -0.110 25927 7067 1 12 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.776 -0.096 25927 7068 1 12 . 1 1 63 63 GLN H H 63 7.389 7.389 7.697 -0.308 25927 7069 1 12 . 1 1 64 64 THR N N 64 115.981 115.981 114.871 1.110 25927 7070 1 12 . 1 1 64 64 THR HA H 64 4.428 4.428 4.506 -0.078 25927 7071 1 12 . 1 1 64 64 THR C C 64 169.980 169.980 172.138 -2.158 25927 7072 1 12 . 1 1 64 64 THR CA C 64 60.555 60.555 60.991 -0.436 25927 7073 1 12 . 1 1 64 64 THR CB C 64 69.083 69.083 71.743 -2.660 25927 7074 1 12 . 1 1 64 64 THR H H 64 8.588 8.588 8.746 -0.158 25927 7075 1 12 . 1 1 65 65 PHE N N 65 125.997 125.997 123.694 2.303 25927 7076 1 12 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.565 -0.151 25927 7077 1 12 . 1 1 65 65 PHE C C 65 173.940 173.940 174.534 -0.594 25927 7078 1 12 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.230 0.020 25927 7079 1 12 . 1 1 65 65 PHE CB C 65 40.713 40.713 39.782 0.931 25927 7080 1 12 . 1 1 65 65 PHE H H 65 8.054 8.054 8.281 -0.227 25927 7081 1 12 . 1 1 66 66 LEU N N 66 127.935 127.935 125.891 2.044 25927 7082 1 12 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.593 -0.141 25927 7083 1 12 . 1 1 66 66 LEU C C 66 174.502 174.502 175.169 -0.667 25927 7084 1 12 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.527 -0.918 25927 7085 1 12 . 1 1 66 66 LEU H H 66 8.383 8.383 8.546 -0.163 25927 7086 1 12 . 1 1 67 67 PHE N N 67 123.162 123.162 119.267 3.895 25927 7087 1 12 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.459 -0.835 25927 7088 1 12 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.700 -1.573 25927 7089 1 12 . 1 1 67 67 PHE H H 67 8.285 8.285 8.838 -0.553 25927 7090 1 12 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.511 -0.064 25927 7091 1 12 . 1 1 68 68 PRO C C 68 175.918 175.918 177.115 -1.197 25927 7092 1 12 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.071 -2.448 25927 7093 1 12 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.330 -0.109 25927 7094 1 12 . 1 1 69 69 LEU N N 69 121.360 121.360 118.451 2.909 25927 7095 1 12 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.372 -0.178 25927 7096 1 12 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.988 -0.737 25927 7097 1 12 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.352 -1.675 25927 7098 1 12 . 1 1 69 69 LEU H H 69 8.300 8.300 8.331 -0.031 25927 7099 1 12 . 1 1 70 70 LYS N N 70 123.012 123.012 118.872 4.140 25927 7100 1 12 . 1 1 70 70 LYS CA C 70 55.700 55.700 56.255 -0.555 25927 7101 1 12 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.081 -3.361 25927 7102 1 12 . 1 1 70 70 LYS H H 70 8.156 8.156 7.973 0.183 25927 7103 1 12 . 1 1 71 71 ARG N N 71 125.250 125.250 120.369 4.881 25927 7104 1 12 . 1 1 71 71 ARG C C 71 179.581 179.581 176.964 2.617 25927 7105 1 12 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.211 1.007 25927 7106 1 12 . 1 1 71 71 ARG H H 71 8.279 8.279 8.760 -0.481 25927 7107 1 12 . 1 1 72 72 ASP N N 72 119.355 119.355 119.765 -0.410 25927 7108 1 12 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.575 0.171 25927 7109 1 12 . 1 1 72 72 ASP C C 72 177.124 177.124 177.231 -0.107 25927 7110 1 12 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.737 -0.064 25927 7111 1 12 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.693 -0.646 25927 7112 1 12 . 1 1 72 72 ASP H H 72 8.182 8.182 8.321 -0.139 25927 7113 1 12 . 1 1 73 73 PHE N N 73 122.846 122.846 121.984 0.862 25927 7114 1 12 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.127 0.003 25927 7115 1 12 . 1 1 73 73 PHE C C 73 176.729 176.729 176.814 -0.085 25927 7116 1 12 . 1 1 73 73 PHE CA C 73 63.022 63.022 61.939 1.083 25927 7117 1 12 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.194 1.010 25927 7118 1 12 . 1 1 73 73 PHE H H 73 8.197 8.197 8.345 -0.148 25927 7119 1 12 . 1 1 74 74 GLU N N 74 118.652 118.652 118.625 0.027 25927 7120 1 12 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.888 -0.044 25927 7121 1 12 . 1 1 74 74 GLU C C 74 179.310 179.310 178.717 0.593 25927 7122 1 12 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.691 0.961 25927 7123 1 12 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.400 -0.751 25927 7124 1 12 . 1 1 74 74 GLU H H 74 9.098 9.098 9.028 0.070 25927 7125 1 12 . 1 1 75 75 LYS N N 75 117.836 117.836 119.491 -1.655 25927 7126 1 12 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.088 -0.009 25927 7127 1 12 . 1 1 75 75 LYS C C 75 179.312 179.312 179.344 -0.032 25927 7128 1 12 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.408 -0.128 25927 7129 1 12 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.207 0.136 25927 7130 1 12 . 1 1 75 75 LYS H H 75 8.078 8.078 7.796 0.282 25927 7131 1 12 . 1 1 76 76 THR N N 76 118.581 118.581 117.534 1.047 25927 7132 1 12 . 1 1 76 76 THR HA H 76 4.168 4.168 4.147 0.021 25927 7133 1 12 . 1 1 76 76 THR C C 76 175.873 175.873 176.794 -0.921 25927 7134 1 12 . 1 1 76 76 THR CA C 76 67.009 67.009 66.917 0.092 25927 7135 1 12 . 1 1 76 76 THR CB C 76 68.404 68.404 68.574 -0.170 25927 7136 1 12 . 1 1 76 76 THR H H 76 8.031 8.031 8.359 -0.328 25927 7137 1 12 . 1 1 77 77 VAL N N 77 122.994 122.994 121.738 1.256 25927 7138 1 12 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.570 -0.178 25927 7139 1 12 . 1 1 77 77 VAL C C 77 177.137 177.137 177.592 -0.455 25927 7140 1 12 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.919 0.535 25927 7141 1 12 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.262 0.310 25927 7142 1 12 . 1 1 77 77 VAL H H 77 7.999 7.999 8.137 -0.138 25927 7143 1 12 . 1 1 78 78 VAL N N 78 117.994 117.994 118.910 -0.916 25927 7144 1 12 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.504 0.044 25927 7145 1 12 . 1 1 78 78 VAL C C 78 177.830 177.830 177.548 0.282 25927 7146 1 12 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.438 0.836 25927 7147 1 12 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.287 0.456 25927 7148 1 12 . 1 1 78 78 VAL H H 78 7.745 7.745 7.981 -0.236 25927 7149 1 12 . 1 1 79 79 ALA N N 79 120.460 120.460 121.226 -0.766 25927 7150 1 12 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.073 0.107 25927 7151 1 12 . 1 1 79 79 ALA C C 79 176.512 176.512 179.149 -2.637 25927 7152 1 12 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.935 0.166 25927 7153 1 12 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.111 0.059 25927 7154 1 12 . 1 1 79 79 ALA H H 79 7.844 7.844 8.426 -0.582 25927 7155 1 12 . 1 1 80 80 ALA N N 80 119.351 119.351 120.600 -1.249 25927 7156 1 12 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.732 -0.736 25927 7157 1 12 . 1 1 80 80 ALA C C 80 180.805 180.805 179.449 1.356 25927 7158 1 12 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.904 -0.247 25927 7159 1 12 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.485 0.872 25927 7160 1 12 . 1 1 80 80 ALA H H 80 8.178 8.178 8.067 0.111 25927 7161 1 12 . 1 1 81 81 LEU N N 81 123.041 123.041 119.504 3.537 25927 7162 1 12 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.027 -0.163 25927 7163 1 12 . 1 1 81 81 LEU C C 81 179.526 179.526 179.076 0.450 25927 7164 1 12 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.768 1.117 25927 7165 1 12 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.613 0.938 25927 7166 1 12 . 1 1 81 81 LEU H H 81 8.469 8.469 7.264 1.205 25927 7167 1 12 . 1 1 82 82 ILE N N 82 119.350 119.350 118.709 0.641 25927 7168 1 12 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.640 0.187 25927 7169 1 12 . 1 1 82 82 ILE C C 82 179.375 179.375 178.150 1.225 25927 7170 1 12 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.316 -0.737 25927 7171 1 12 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.648 0.966 25927 7172 1 12 . 1 1 82 82 ILE H H 82 7.988 7.988 7.316 0.672 25927 7173 1 12 . 1 1 83 83 GLN N N 83 118.033 118.033 118.371 -0.338 25927 7174 1 12 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.920 0.273 25927 7175 1 12 . 1 1 83 83 GLN C C 83 179.932 179.932 178.616 1.316 25927 7176 1 12 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.766 0.397 25927 7177 1 12 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.008 0.687 25927 7178 1 12 . 1 1 83 83 GLN H H 83 8.665 8.665 8.173 0.492 25927 7179 1 12 . 1 1 84 84 THR N N 84 118.583 118.583 115.139 3.444 25927 7180 1 12 . 1 1 84 84 THR HA H 84 3.813 3.813 4.048 -0.235 25927 7181 1 12 . 1 1 84 84 THR C C 84 175.824 175.824 176.236 -0.412 25927 7182 1 12 . 1 1 84 84 THR CA C 84 68.515 68.515 67.566 0.949 25927 7183 1 12 . 1 1 84 84 THR CB C 84 67.514 67.514 68.814 -1.300 25927 7184 1 12 . 1 1 84 84 THR H H 84 8.355 8.355 8.170 0.185 25927 7185 1 12 . 1 1 85 85 GLU N N 85 121.547 121.547 120.740 0.807 25927 7186 1 12 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.142 0.031 25927 7187 1 12 . 1 1 85 85 GLU C C 85 178.637 178.637 178.577 0.060 25927 7188 1 12 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.123 1.253 25927 7189 1 12 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.987 0.225 25927 7190 1 12 . 1 1 85 85 GLU H H 85 7.846 7.846 7.837 0.009 25927 7191 1 12 . 1 1 86 86 GLU N N 86 118.203 118.203 119.440 -1.237 25927 7192 1 12 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.025 0.079 25927 7193 1 12 . 1 1 86 86 GLU C C 86 179.080 179.080 178.827 0.253 25927 7194 1 12 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.061 0.623 25927 7195 1 12 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.103 0.455 25927 7196 1 12 . 1 1 86 86 GLU H H 86 8.154 8.154 8.527 -0.373 25927 7197 1 12 . 1 1 87 87 ALA N N 87 121.242 121.242 121.311 -0.069 25927 7198 1 12 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.154 0.022 25927 7199 1 12 . 1 1 87 87 ALA C C 87 181.299 181.299 179.299 2.000 25927 7200 1 12 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.727 0.489 25927 7201 1 12 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.656 0.577 25927 7202 1 12 . 1 1 87 87 ALA H H 87 8.181 8.181 7.462 0.719 25927 7203 1 12 . 1 1 88 88 LEU N N 88 119.086 119.086 117.824 1.262 25927 7204 1 12 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.099 -0.102 25927 7205 1 12 . 1 1 88 88 LEU C C 88 179.526 179.526 178.198 1.328 25927 7206 1 12 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.053 1.495 25927 7207 1 12 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.493 -0.249 25927 7208 1 12 . 1 1 88 88 LEU H H 88 8.379 8.379 7.451 0.928 25927 7209 1 12 . 1 1 89 89 ASN N N 89 119.429 119.429 118.592 0.837 25927 7210 1 12 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.441 0.126 25927 7211 1 12 . 1 1 89 89 ASN C C 89 177.117 177.117 176.515 0.602 25927 7212 1 12 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.691 -0.688 25927 7213 1 12 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.488 -0.139 25927 7214 1 12 . 1 1 89 89 ASN H H 89 8.271 8.271 8.626 -0.355 25927 7215 1 12 . 1 1 90 90 ARG N N 90 118.735 118.735 117.099 1.636 25927 7216 1 12 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.437 -0.284 25927 7217 1 12 . 1 1 90 90 ARG C C 90 177.836 177.836 176.999 0.837 25927 7218 1 12 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.083 2.491 25927 7219 1 12 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.325 -0.095 25927 7220 1 12 . 1 1 90 90 ARG H H 90 8.010 8.010 7.928 0.082 25927 7221 1 12 . 1 1 91 91 ARG N N 91 118.976 118.976 118.869 0.107 25927 7222 1 12 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.285 -0.076 25927 7223 1 12 . 1 1 91 91 ARG C C 91 177.455 177.455 177.938 -0.483 25927 7224 1 12 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.495 -0.469 25927 7225 1 12 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.149 -0.362 25927 7226 1 12 . 1 1 91 91 ARG H H 91 7.833 7.833 7.690 0.143 25927 7227 1 12 . 1 1 92 92 GLN N N 92 118.834 118.834 115.181 3.653 25927 7228 1 12 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.490 -0.233 25927 7229 1 12 . 1 1 92 92 GLN C C 92 177.362 177.362 177.883 -0.521 25927 7230 1 12 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.691 0.796 25927 7231 1 12 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.596 -1.464 25927 7232 1 12 . 1 1 92 92 GLN H H 92 7.988 7.988 8.142 -0.154 25927 7233 1 12 . 1 1 93 93 ILE N N 93 120.499 120.499 122.014 -1.515 25927 7234 1 12 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.708 0.308 25927 7235 1 12 . 1 1 93 93 ILE C C 93 177.002 177.002 176.997 0.005 25927 7236 1 12 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.821 -1.960 25927 7237 1 12 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.517 1.051 25927 7238 1 12 . 1 1 93 93 ILE H H 93 7.976 7.976 7.757 0.219 25927 7239 1 12 . 1 1 94 94 ASN N N 94 120.172 120.172 118.884 1.288 25927 7240 1 12 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.309 0.330 25927 7241 1 12 . 1 1 94 94 ASN C C 94 176.336 176.336 177.764 -1.428 25927 7242 1 12 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.018 -2.701 25927 7243 1 12 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.319 0.281 25927 7244 1 12 . 1 1 94 94 ASN H H 94 8.272 8.272 8.285 -0.013 25927 7245 1 12 . 1 1 95 95 GLN N N 95 120.288 120.288 118.752 1.536 25927 7246 1 12 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.139 0.041 25927 7247 1 12 . 1 1 95 95 GLN C C 95 176.701 176.701 177.822 -1.121 25927 7248 1 12 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.577 -1.398 25927 7249 1 12 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.707 0.289 25927 7250 1 12 . 1 1 95 95 GLN H H 95 8.303 8.303 7.587 0.716 25927 7251 1 12 . 1 1 96 96 ALA N N 96 123.219 123.219 123.095 0.124 25927 7252 1 12 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.289 -0.028 25927 7253 1 12 . 1 1 96 96 ALA C C 96 178.429 178.429 180.060 -1.631 25927 7254 1 12 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.817 -1.385 25927 7255 1 12 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.767 0.006 25927 7256 1 12 . 1 1 96 96 ALA H H 96 8.112 8.112 7.680 0.432 25927 7257 1 12 . 1 1 97 97 LEU N N 97 119.452 119.452 117.314 2.138 25927 7258 1 12 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.184 0.117 25927 7259 1 12 . 1 1 97 97 LEU C C 97 177.834 177.834 178.387 -0.553 25927 7260 1 12 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.839 -2.093 25927 7261 1 12 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.743 0.547 25927 7262 1 12 . 1 1 97 97 LEU H H 97 7.932 7.932 8.397 -0.465 25927 7263 1 12 . 1 1 98 98 LEU N N 98 121.124 121.124 120.003 1.121 25927 7264 1 12 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.291 0.086 25927 7265 1 12 . 1 1 98 98 LEU C C 98 177.729 177.729 178.063 -0.334 25927 7266 1 12 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.080 -1.654 25927 7267 1 12 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.907 -0.501 25927 7268 1 12 . 1 1 98 98 LEU H H 98 7.947 7.947 7.804 0.143 25927 7269 1 12 . 1 1 99 99 SER N N 99 115.913 115.913 110.395 5.518 25927 7270 1 12 . 1 1 99 99 SER HA H 99 4.525 4.525 4.549 -0.024 25927 7271 1 12 . 1 1 99 99 SER C C 99 174.980 174.980 175.607 -0.627 25927 7272 1 12 . 1 1 99 99 SER CA C 99 58.478 58.478 59.201 -0.723 25927 7273 1 12 . 1 1 99 99 SER CB C 99 63.839 63.839 63.933 -0.094 25927 7274 1 12 . 1 1 99 99 SER H H 99 8.238 8.238 8.365 -0.127 25927 7275 1 12 . 1 1 100 100 THR N N 100 114.610 114.610 114.411 0.199 25927 7276 1 12 . 1 1 100 100 THR HA H 100 4.361 4.361 4.480 -0.119 25927 7277 1 12 . 1 1 100 100 THR C C 100 175.368 175.368 176.097 -0.729 25927 7278 1 12 . 1 1 100 100 THR CA C 100 62.195 62.195 63.084 -0.889 25927 7279 1 12 . 1 1 100 100 THR CB C 100 69.794 69.794 69.214 0.580 25927 7280 1 12 . 1 1 100 100 THR H H 100 8.140 8.140 8.027 0.113 25927 7281 1 12 . 1 1 101 101 GLY N N 101 110.650 110.650 109.937 0.713 25927 7282 1 12 . 1 1 101 101 GLY C C 101 173.935 173.935 174.238 -0.303 25927 7283 1 12 . 1 1 101 101 GLY CA C 101 45.493 45.493 45.454 0.039 25927 7284 1 12 . 1 1 101 101 GLY H H 101 8.353 8.353 8.017 0.336 25927 7285 1 12 . 1 1 102 102 ASP N N 102 120.512 120.512 118.093 2.419 25927 7286 1 12 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.788 -0.185 25927 7287 1 12 . 1 1 102 102 ASP C C 102 176.419 176.419 175.078 1.341 25927 7288 1 12 . 1 1 102 102 ASP CA C 102 54.291 54.291 53.564 0.727 25927 7289 1 12 . 1 1 102 102 ASP CB C 102 41.277 41.277 44.033 -2.756 25927 7290 1 12 . 1 1 102 102 ASP H H 102 8.204 8.204 7.924 0.280 25927 7291 1 12 . 1 1 103 103 LEU N N 103 122.331 122.331 118.707 3.624 25927 7292 1 12 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.436 -0.178 25927 7293 1 12 . 1 1 103 103 LEU C C 103 177.394 177.394 176.245 1.149 25927 7294 1 12 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.750 -0.222 25927 7295 1 12 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.470 -0.242 25927 7296 1 12 . 1 1 103 103 LEU H H 103 8.170 8.170 8.028 0.142 25927 7297 1 12 . 1 1 104 104 ALA N N 104 123.139 123.139 120.978 2.161 25927 7298 1 12 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.604 -0.404 25927 7299 1 12 . 1 1 104 104 ALA C C 104 177.730 177.730 177.194 0.536 25927 7300 1 12 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.898 0.876 25927 7301 1 12 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.249 -0.244 25927 7302 1 12 . 1 1 104 104 ALA H H 104 8.150 8.150 8.347 -0.197 25927 7303 1 12 . 1 1 105 105 HIS N N 105 117.105 117.105 118.436 -1.331 25927 7304 1 12 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.527 0.114 25927 7305 1 12 . 1 1 105 105 HIS C C 105 174.414 174.414 175.086 -0.672 25927 7306 1 12 . 1 1 105 105 HIS CA C 105 55.520 55.520 58.553 -3.033 25927 7307 1 12 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.270 -0.992 25927 7308 1 12 . 1 1 105 105 HIS H H 105 8.239 8.239 8.238 0.001 25927 7309 1 12 . 1 1 106 106 ASP N N 106 121.315 121.315 117.192 4.123 25927 7310 1 12 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.695 -0.092 25927 7311 1 12 . 1 1 106 106 ASP C C 106 176.370 176.370 175.951 0.419 25927 7312 1 12 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.192 0.127 25927 7313 1 12 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.408 1.006 25927 7314 1 12 . 1 1 106 106 ASP H H 106 8.298 8.298 8.255 0.043 25927 7315 1 12 . 1 1 107 107 GLU N N 107 121.228 121.228 119.559 1.669 25927 7316 1 12 . 1 1 107 107 GLU HA H 107 4.108 4.108 3.978 0.130 25927 7317 1 12 . 1 1 107 107 GLU C C 107 176.248 176.248 175.974 0.274 25927 7318 1 12 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.880 -0.688 25927 7319 1 12 . 1 1 107 107 GLU CB C 107 30.095 30.095 29.938 0.157 25927 7320 1 12 . 1 1 107 107 GLU H H 107 8.536 8.536 8.894 -0.358 25927 7321 1 13 . 1 1 2 2 VAL N N 2 119.413 119.413 119.635 -0.222 25927 7322 1 13 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.298 -0.166 25927 7323 1 13 . 1 1 2 2 VAL C C 2 175.957 175.957 174.218 1.739 25927 7324 1 13 . 1 1 2 2 VAL CA C 2 62.517 62.517 62.247 0.270 25927 7325 1 13 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.929 -1.253 25927 7326 1 13 . 1 1 2 2 VAL H H 2 8.453 8.453 8.175 0.278 25927 7327 1 13 . 1 1 3 3 GLU N N 3 125.255 125.255 127.010 -1.755 25927 7328 1 13 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.783 -0.435 25927 7329 1 13 . 1 1 3 3 GLU C C 3 176.154 176.154 174.779 1.375 25927 7330 1 13 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.500 -0.031 25927 7331 1 13 . 1 1 3 3 GLU CB C 3 30.382 30.382 29.937 0.445 25927 7332 1 13 . 1 1 3 3 GLU H H 3 8.587 8.587 8.643 -0.056 25927 7333 1 13 . 1 1 4 4 VAL N N 4 121.132 121.132 124.334 -3.202 25927 7334 1 13 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.163 -0.042 25927 7335 1 13 . 1 1 4 4 VAL C C 4 175.762 175.762 176.325 -0.563 25927 7336 1 13 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.290 0.738 25927 7337 1 13 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.123 -1.067 25927 7338 1 13 . 1 1 4 4 VAL H H 4 8.172 8.172 8.113 0.059 25927 7339 1 13 . 1 1 5 5 GLU N N 5 125.223 125.223 124.517 0.706 25927 7340 1 13 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.348 -0.024 25927 7341 1 13 . 1 1 5 5 GLU C C 5 176.006 176.006 176.084 -0.078 25927 7342 1 13 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.358 0.031 25927 7343 1 13 . 1 1 5 5 GLU CB C 5 30.419 30.419 27.486 2.933 25927 7344 1 13 . 1 1 5 5 GLU H H 5 8.472 8.472 8.765 -0.293 25927 7345 1 13 . 1 1 6 6 VAL N N 6 123.435 123.435 120.935 2.500 25927 7346 1 13 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.953 0.483 25927 7347 1 13 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.805 -5.059 25927 7348 1 13 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.743 1.995 25927 7349 1 13 . 1 1 6 6 VAL H H 6 8.288 8.288 7.983 0.305 25927 7350 1 13 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.583 -0.147 25927 7351 1 13 . 1 1 7 7 PRO C C 7 177.461 177.461 176.492 0.969 25927 7352 1 13 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.350 0.995 25927 7353 1 13 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.720 -0.416 25927 7354 1 13 . 1 1 8 8 GLY N N 8 108.925 108.925 106.387 2.538 25927 7355 1 13 . 1 1 8 8 GLY C C 8 173.995 173.995 173.322 0.673 25927 7356 1 13 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.869 0.557 25927 7357 1 13 . 1 1 8 8 GLY H H 8 8.334 8.334 8.214 0.120 25927 7358 1 13 . 1 1 9 9 LEU N N 9 121.559 121.559 121.136 0.423 25927 7359 1 13 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.755 -0.296 25927 7360 1 13 . 1 1 9 9 LEU C C 9 176.870 176.870 175.773 1.097 25927 7361 1 13 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.369 1.252 25927 7362 1 13 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.204 0.844 25927 7363 1 13 . 1 1 9 9 LEU H H 9 8.150 8.150 8.488 -0.338 25927 7364 1 13 . 1 1 10 10 LEU N N 10 122.690 122.690 123.680 -0.990 25927 7365 1 13 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.455 0.706 25927 7366 1 13 . 1 1 10 10 LEU C C 10 177.427 177.427 177.030 0.397 25927 7367 1 13 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.464 -1.602 25927 7368 1 13 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.241 2.407 25927 7369 1 13 . 1 1 10 10 LEU H H 10 8.348 8.348 7.958 0.390 25927 7370 1 13 . 1 1 11 11 THR N N 11 124.118 124.118 121.143 2.975 25927 7371 1 13 . 1 1 11 11 THR HA H 11 4.295 4.295 4.438 -0.143 25927 7372 1 13 . 1 1 11 11 THR C C 11 172.853 172.853 173.927 -1.074 25927 7373 1 13 . 1 1 11 11 THR CA C 11 63.577 63.577 61.277 2.300 25927 7374 1 13 . 1 1 11 11 THR CB C 11 69.325 69.325 70.730 -1.405 25927 7375 1 13 . 1 1 11 11 THR H H 11 9.186 9.186 8.221 0.965 25927 7376 1 13 . 1 1 12 12 ASP N N 12 127.226 127.226 125.778 1.448 25927 7377 1 13 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.824 0.473 25927 7378 1 13 . 1 1 12 12 ASP C C 12 176.060 176.060 175.868 0.192 25927 7379 1 13 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.522 0.257 25927 7380 1 13 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.939 1.105 25927 7381 1 13 . 1 1 12 12 ASP H H 12 8.880 8.880 8.422 0.458 25927 7382 1 13 . 1 1 13 13 HIS N N 13 127.146 127.146 121.961 5.185 25927 7383 1 13 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.492 0.816 25927 7384 1 13 . 1 1 13 13 HIS C C 13 175.365 175.365 173.859 1.506 25927 7385 1 13 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.479 -2.321 25927 7386 1 13 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.783 1.171 25927 7387 1 13 . 1 1 13 13 HIS H H 13 8.867 8.867 7.916 0.951 25927 7388 1 13 . 1 1 14 14 THR N N 14 112.885 112.885 110.138 2.747 25927 7389 1 13 . 1 1 14 14 THR HA H 14 4.522 4.522 4.651 -0.129 25927 7390 1 13 . 1 1 14 14 THR C C 14 174.626 174.626 174.315 0.311 25927 7391 1 13 . 1 1 14 14 THR CA C 14 63.245 63.245 60.679 2.566 25927 7392 1 13 . 1 1 14 14 THR CB C 14 70.178 70.178 70.947 -0.769 25927 7393 1 13 . 1 1 14 14 THR H H 14 8.583 8.583 7.732 0.851 25927 7394 1 13 . 1 1 15 15 VAL N N 15 113.207 113.207 120.129 -6.922 25927 7395 1 13 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.581 0.064 25927 7396 1 13 . 1 1 15 15 VAL C C 15 175.216 175.216 174.466 0.750 25927 7397 1 13 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.315 0.948 25927 7398 1 13 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.785 2.595 25927 7399 1 13 . 1 1 15 15 VAL H H 15 9.104 9.104 8.329 0.775 25927 7400 1 13 . 1 1 16 16 SER N N 16 122.970 122.970 115.053 7.917 25927 7401 1 13 . 1 1 16 16 SER HA H 16 4.196 4.196 4.702 -0.506 25927 7402 1 13 . 1 1 16 16 SER C C 16 174.515 174.515 175.721 -1.206 25927 7403 1 13 . 1 1 16 16 SER CA C 16 57.126 57.126 55.805 1.321 25927 7404 1 13 . 1 1 16 16 SER CB C 16 67.073 67.073 65.381 1.692 25927 7405 1 13 . 1 1 16 16 SER H H 16 9.340 9.340 7.682 1.658 25927 7406 1 13 . 1 1 17 17 SER N N 17 116.643 116.643 122.224 -5.581 25927 7407 1 13 . 1 1 17 17 SER HA H 17 4.157 4.157 4.289 -0.132 25927 7408 1 13 . 1 1 17 17 SER C C 17 176.576 176.576 175.759 0.817 25927 7409 1 13 . 1 1 17 17 SER CA C 17 62.451 62.451 61.546 0.905 25927 7410 1 13 . 1 1 17 17 SER CB C 17 62.539 62.539 63.014 -0.475 25927 7411 1 13 . 1 1 17 17 SER H H 17 8.926 8.926 8.911 0.015 25927 7412 1 13 . 1 1 18 18 ILE N N 18 120.198 120.198 114.346 5.852 25927 7413 1 13 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.393 -0.322 25927 7414 1 13 . 1 1 18 18 ILE C C 18 177.925 177.925 177.590 0.335 25927 7415 1 13 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.446 1.935 25927 7416 1 13 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.097 -0.517 25927 7417 1 13 . 1 1 18 18 ILE H H 18 7.848 7.848 7.500 0.348 25927 7418 1 13 . 1 1 19 19 GLY N N 19 111.905 111.905 108.755 3.150 25927 7419 1 13 . 1 1 19 19 GLY C C 19 176.153 176.153 176.202 -0.049 25927 7420 1 13 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.248 -0.408 25927 7421 1 13 . 1 1 19 19 GLY H H 19 7.921 7.921 8.139 -0.218 25927 7422 1 13 . 1 1 20 20 HIS N N 20 120.808 120.808 121.344 -0.536 25927 7423 1 13 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.537 0.225 25927 7424 1 13 . 1 1 20 20 HIS C C 20 178.606 178.606 177.147 1.459 25927 7425 1 13 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.406 -1.548 25927 7426 1 13 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.219 -2.504 25927 7427 1 13 . 1 1 20 20 HIS H H 20 8.842 8.842 8.589 0.253 25927 7428 1 13 . 1 1 21 21 ASP N N 21 121.572 121.572 119.672 1.900 25927 7429 1 13 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.494 0.040 25927 7430 1 13 . 1 1 21 21 ASP C C 21 179.630 179.630 178.585 1.045 25927 7431 1 13 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.035 0.470 25927 7432 1 13 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.345 -0.580 25927 7433 1 13 . 1 1 21 21 ASP H H 21 8.592 8.592 7.727 0.865 25927 7434 1 13 . 1 1 22 22 PHE N N 22 123.889 123.889 122.674 1.215 25927 7435 1 13 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.151 -0.056 25927 7436 1 13 . 1 1 22 22 PHE C C 22 175.647 175.647 176.721 -1.074 25927 7437 1 13 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.031 0.897 25927 7438 1 13 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.258 -0.111 25927 7439 1 13 . 1 1 22 22 PHE H H 22 8.790 8.790 8.946 -0.156 25927 7440 1 13 . 1 1 23 23 TYR N N 23 119.855 119.855 120.101 -0.246 25927 7441 1 13 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.991 -0.210 25927 7442 1 13 . 1 1 23 23 TYR C C 23 177.585 177.585 177.360 0.225 25927 7443 1 13 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.811 0.162 25927 7444 1 13 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.324 0.055 25927 7445 1 13 . 1 1 23 23 TYR H H 23 9.008 9.008 7.975 1.033 25927 7446 1 13 . 1 1 24 24 ARG N N 24 120.673 120.673 118.531 2.142 25927 7447 1 13 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.838 -0.120 25927 7448 1 13 . 1 1 24 24 ARG C C 24 177.149 177.149 178.676 -1.527 25927 7449 1 13 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.163 0.197 25927 7450 1 13 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.277 0.157 25927 7451 1 13 . 1 1 24 24 ARG H H 24 8.576 8.576 7.623 0.953 25927 7452 1 13 . 1 1 25 25 ALA N N 25 120.718 120.718 122.817 -2.099 25927 7453 1 13 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.106 0.005 25927 7454 1 13 . 1 1 25 25 ALA C C 25 179.502 179.502 179.112 0.390 25927 7455 1 13 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.859 -0.049 25927 7456 1 13 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.566 0.824 25927 7457 1 13 . 1 1 25 25 ALA H H 25 8.080 8.080 8.464 -0.384 25927 7458 1 13 . 1 1 26 26 PHE N N 26 118.193 118.193 119.088 -0.895 25927 7459 1 13 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.839 -0.341 25927 7460 1 13 . 1 1 26 26 PHE C C 26 177.120 177.120 176.844 0.276 25927 7461 1 13 . 1 1 26 26 PHE CA C 26 61.297 61.297 61.132 0.165 25927 7462 1 13 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.237 0.670 25927 7463 1 13 . 1 1 26 26 PHE H H 26 8.467 8.467 8.205 0.262 25927 7464 1 13 . 1 1 27 27 SER N N 27 112.572 112.572 113.760 -1.188 25927 7465 1 13 . 1 1 27 27 SER HA H 27 3.845 3.845 4.253 -0.408 25927 7466 1 13 . 1 1 27 27 SER C C 27 176.828 176.828 176.478 0.350 25927 7467 1 13 . 1 1 27 27 SER CA C 27 61.656 61.656 60.999 0.657 25927 7468 1 13 . 1 1 27 27 SER CB C 27 62.952 62.952 62.885 0.067 25927 7469 1 13 . 1 1 27 27 SER H H 27 8.477 8.477 8.017 0.460 25927 7470 1 13 . 1 1 28 28 ASP N N 28 119.022 119.022 121.517 -2.495 25927 7471 1 13 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.494 -0.070 25927 7472 1 13 . 1 1 28 28 ASP C C 28 177.325 177.325 177.317 0.008 25927 7473 1 13 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.397 0.260 25927 7474 1 13 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.938 0.336 25927 7475 1 13 . 1 1 28 28 ASP H H 28 8.019 8.019 8.164 -0.145 25927 7476 1 13 . 1 1 29 29 LYS N N 29 115.330 115.330 115.335 -0.005 25927 7477 1 13 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.397 -0.038 25927 7478 1 13 . 1 1 29 29 LYS C C 29 175.910 175.910 176.065 -0.155 25927 7479 1 13 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.034 0.130 25927 7480 1 13 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.329 2.981 25927 7481 1 13 . 1 1 29 29 LYS H H 29 6.910 6.910 7.561 -0.651 25927 7482 1 13 . 1 1 30 30 TRP N N 30 122.847 122.847 123.345 -0.498 25927 7483 1 13 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.091 0.086 25927 7484 1 13 . 1 1 30 30 TRP C C 30 175.188 175.188 175.148 0.040 25927 7485 1 13 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.554 -0.513 25927 7486 1 13 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.666 0.254 25927 7487 1 13 . 1 1 30 30 TRP H H 30 7.638 7.638 7.580 0.058 25927 7488 1 13 . 1 1 31 31 GLU N N 31 128.182 128.182 123.734 4.448 25927 7489 1 13 . 1 1 31 31 GLU HA H 31 4.159 4.159 3.947 0.212 25927 7490 1 13 . 1 1 31 31 GLU C C 31 173.960 173.960 173.506 0.454 25927 7491 1 13 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.091 0.023 25927 7492 1 13 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.311 -0.228 25927 7493 1 13 . 1 1 31 31 GLU H H 31 7.426 7.426 7.355 0.071 25927 7494 1 13 . 1 1 32 32 SER N N 32 115.672 115.672 116.168 -0.496 25927 7495 1 13 . 1 1 32 32 SER HA H 32 4.100 4.100 4.627 -0.527 25927 7496 1 13 . 1 1 32 32 SER C C 32 173.864 173.864 173.820 0.044 25927 7497 1 13 . 1 1 32 32 SER CA C 32 57.344 57.344 57.685 -0.341 25927 7498 1 13 . 1 1 32 32 SER CB C 32 64.220 64.220 65.670 -1.450 25927 7499 1 13 . 1 1 32 32 SER H H 32 7.276 7.276 7.873 -0.597 25927 7500 1 13 . 1 1 33 33 ASP N N 33 123.759 123.759 121.631 2.128 25927 7501 1 13 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.446 0.177 25927 7502 1 13 . 1 1 33 33 ASP C C 33 176.175 176.175 176.857 -0.682 25927 7503 1 13 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.733 -0.605 25927 7504 1 13 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.295 -0.685 25927 7505 1 13 . 1 1 33 33 ASP H H 33 8.429 8.429 8.748 -0.319 25927 7506 1 13 . 1 1 34 34 TYR N N 34 122.283 122.283 118.587 3.696 25927 7507 1 13 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.597 -0.023 25927 7508 1 13 . 1 1 34 34 TYR C C 34 177.025 177.025 176.390 0.635 25927 7509 1 13 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.553 1.264 25927 7510 1 13 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.353 -0.219 25927 7511 1 13 . 1 1 34 34 TYR H H 34 8.649 8.649 7.732 0.917 25927 7512 1 13 . 1 1 35 35 THR N N 35 116.852 116.852 112.836 4.016 25927 7513 1 13 . 1 1 35 35 THR HA H 35 4.311 4.311 4.091 0.220 25927 7514 1 13 . 1 1 35 35 THR C C 35 174.704 174.704 174.338 0.366 25927 7515 1 13 . 1 1 35 35 THR CA C 35 61.364 61.364 62.875 -1.511 25927 7516 1 13 . 1 1 35 35 THR CB C 35 69.454 69.454 68.768 0.686 25927 7517 1 13 . 1 1 35 35 THR H H 35 8.067 8.067 8.486 -0.419 25927 7518 1 13 . 1 1 36 36 GLY N N 36 107.698 107.698 107.415 0.283 25927 7519 1 13 . 1 1 36 36 GLY C C 36 171.455 171.455 174.228 -2.773 25927 7520 1 13 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.087 -0.569 25927 7521 1 13 . 1 1 36 36 GLY H H 36 5.732 5.732 6.573 -0.841 25927 7522 1 13 . 1 1 37 37 ASN N N 37 117.424 117.424 118.945 -1.521 25927 7523 1 13 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.721 0.264 25927 7524 1 13 . 1 1 37 37 ASN C C 37 175.393 175.393 173.674 1.719 25927 7525 1 13 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.281 0.552 25927 7526 1 13 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.240 3.273 25927 7527 1 13 . 1 1 37 37 ASN H H 37 8.346 8.346 8.519 -0.173 25927 7528 1 13 . 1 1 38 38 LEU N N 38 126.809 126.809 118.560 8.249 25927 7529 1 13 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.648 -0.650 25927 7530 1 13 . 1 1 38 38 LEU C C 38 175.770 175.770 175.367 0.403 25927 7531 1 13 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.852 2.162 25927 7532 1 13 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.528 -0.462 25927 7533 1 13 . 1 1 38 38 LEU H H 38 8.469 8.469 7.789 0.680 25927 7534 1 13 . 1 1 39 39 THR N N 39 119.369 119.369 114.342 5.027 25927 7535 1 13 . 1 1 39 39 THR HA H 39 4.799 4.799 4.919 -0.120 25927 7536 1 13 . 1 1 39 39 THR C C 39 172.224 172.224 172.693 -0.469 25927 7537 1 13 . 1 1 39 39 THR CA C 39 61.958 61.958 60.545 1.413 25927 7538 1 13 . 1 1 39 39 THR CB C 39 70.327 70.327 72.119 -1.792 25927 7539 1 13 . 1 1 39 39 THR H H 39 8.849 8.849 8.900 -0.051 25927 7540 1 13 . 1 1 40 40 ILE N N 40 125.490 125.490 123.972 1.518 25927 7541 1 13 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.378 0.142 25927 7542 1 13 . 1 1 40 40 ILE C C 40 173.125 173.125 173.744 -0.619 25927 7543 1 13 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.338 0.843 25927 7544 1 13 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.182 -2.732 25927 7545 1 13 . 1 1 40 40 ILE H H 40 8.562 8.562 7.925 0.637 25927 7546 1 13 . 1 1 41 41 ASN N N 41 124.656 124.656 124.157 0.499 25927 7547 1 13 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.694 -0.794 25927 7548 1 13 . 1 1 41 41 ASN C C 41 173.445 173.445 174.028 -0.583 25927 7549 1 13 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.605 0.474 25927 7550 1 13 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.365 -0.249 25927 7551 1 13 . 1 1 41 41 ASN H H 41 9.173 9.173 8.806 0.367 25927 7552 1 13 . 1 1 42 42 GLU N N 42 120.095 120.095 121.997 -1.902 25927 7553 1 13 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.328 0.057 25927 7554 1 13 . 1 1 42 42 GLU C C 42 173.971 173.971 175.237 -1.266 25927 7555 1 13 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.530 -0.400 25927 7556 1 13 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.605 1.852 25927 7557 1 13 . 1 1 42 42 GLU H H 42 7.741 7.741 8.227 -0.486 25927 7558 1 13 . 1 1 43 43 ARG N N 43 127.178 127.178 121.581 5.597 25927 7559 1 13 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.834 0.199 25927 7560 1 13 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.422 0.273 25927 7561 1 13 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.660 -0.172 25927 7562 1 13 . 1 1 43 43 ARG H H 43 9.039 9.039 8.717 0.322 25927 7563 1 13 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.612 0.115 25927 7564 1 13 . 1 1 44 44 PRO C C 44 176.335 176.335 175.931 0.404 25927 7565 1 13 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.794 0.548 25927 7566 1 13 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.020 0.654 25927 7567 1 13 . 1 1 45 45 SER N N 45 117.089 117.089 122.634 -5.545 25927 7568 1 13 . 1 1 45 45 SER HA H 45 4.837 4.837 4.724 0.113 25927 7569 1 13 . 1 1 45 45 SER C C 45 174.334 174.334 174.558 -0.224 25927 7570 1 13 . 1 1 45 45 SER CA C 45 56.688 56.688 57.541 -0.853 25927 7571 1 13 . 1 1 45 45 SER CB C 45 64.628 64.628 64.510 0.118 25927 7572 1 13 . 1 1 45 45 SER H H 45 8.497 8.497 8.930 -0.433 25927 7573 1 13 . 1 1 46 46 ALA N N 46 126.901 126.901 127.813 -0.912 25927 7574 1 13 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.061 0.161 25927 7575 1 13 . 1 1 46 46 ALA C C 46 178.171 178.171 178.469 -0.298 25927 7576 1 13 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.220 -0.132 25927 7577 1 13 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.954 -0.362 25927 7578 1 13 . 1 1 46 46 ALA H H 46 8.780 8.780 8.700 0.080 25927 7579 1 13 . 1 1 47 47 ARG N N 47 117.860 117.860 117.097 0.763 25927 7580 1 13 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.157 0.253 25927 7581 1 13 . 1 1 47 47 ARG C C 47 175.674 175.674 176.518 -0.844 25927 7582 1 13 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.050 -1.798 25927 7583 1 13 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.617 0.969 25927 7584 1 13 . 1 1 47 47 ARG H H 47 8.381 8.381 8.014 0.367 25927 7585 1 13 . 1 1 48 48 ALA N N 48 121.099 121.099 117.531 3.568 25927 7586 1 13 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.635 -0.216 25927 7587 1 13 . 1 1 48 48 ALA C C 48 176.874 176.874 175.953 0.921 25927 7588 1 13 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.227 1.041 25927 7589 1 13 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.614 -1.833 25927 7590 1 13 . 1 1 48 48 ALA H H 48 8.012 8.012 8.177 -0.165 25927 7591 1 13 . 1 1 49 49 GLY N N 49 106.126 106.126 107.283 -1.157 25927 7592 1 13 . 1 1 49 49 GLY C C 49 172.803 172.803 172.082 0.721 25927 7593 1 13 . 1 1 49 49 GLY CA C 49 44.490 44.490 46.027 -1.537 25927 7594 1 13 . 1 1 49 49 GLY H H 49 7.946 7.946 8.544 -0.598 25927 7595 1 13 . 1 1 50 50 SER N N 50 113.972 113.972 116.121 -2.149 25927 7596 1 13 . 1 1 50 50 SER HA H 50 4.736 4.736 5.144 -0.408 25927 7597 1 13 . 1 1 50 50 SER C C 50 171.367 171.367 172.574 -1.207 25927 7598 1 13 . 1 1 50 50 SER CA C 50 57.165 57.165 56.179 0.986 25927 7599 1 13 . 1 1 50 50 SER CB C 50 66.797 66.797 66.268 0.529 25927 7600 1 13 . 1 1 50 50 SER H H 50 7.631 7.631 8.191 -0.560 25927 7601 1 13 . 1 1 51 51 TRP N N 51 121.787 121.787 123.365 -1.578 25927 7602 1 13 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.192 0.664 25927 7603 1 13 . 1 1 51 51 TRP C C 51 176.055 176.055 175.811 0.244 25927 7604 1 13 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.279 -0.486 25927 7605 1 13 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.515 0.019 25927 7606 1 13 . 1 1 51 51 TRP H H 51 8.588 8.588 8.594 -0.006 25927 7607 1 13 . 1 1 52 52 ILE N N 52 126.898 126.898 124.750 2.148 25927 7608 1 13 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.825 0.246 25927 7609 1 13 . 1 1 52 52 ILE C C 52 175.754 175.754 175.123 0.631 25927 7610 1 13 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.545 -1.812 25927 7611 1 13 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.285 0.070 25927 7612 1 13 . 1 1 52 52 ILE H H 52 8.963 8.963 9.084 -0.121 25927 7613 1 13 . 1 1 53 53 THR N N 53 116.271 116.271 123.667 -7.396 25927 7614 1 13 . 1 1 53 53 THR HA H 53 5.095 5.095 4.789 0.306 25927 7615 1 13 . 1 1 53 53 THR C C 53 173.382 173.382 172.839 0.543 25927 7616 1 13 . 1 1 53 53 THR CA C 53 59.290 59.290 61.771 -2.481 25927 7617 1 13 . 1 1 53 53 THR CB C 53 71.819 71.819 70.907 0.912 25927 7618 1 13 . 1 1 53 53 THR H H 53 8.371 8.371 9.147 -0.776 25927 7619 1 13 . 1 1 54 54 ILE N N 54 124.947 124.947 129.694 -4.747 25927 7620 1 13 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.094 0.089 25927 7621 1 13 . 1 1 54 54 ILE C C 54 175.952 175.952 173.915 2.037 25927 7622 1 13 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.358 2.236 25927 7623 1 13 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.802 -2.185 25927 7624 1 13 . 1 1 54 54 ILE H H 54 9.056 9.056 9.033 0.023 25927 7625 1 13 . 1 1 55 55 THR N N 55 118.298 118.298 123.105 -4.807 25927 7626 1 13 . 1 1 55 55 THR HA H 55 5.458 5.458 5.120 0.338 25927 7627 1 13 . 1 1 55 55 THR C C 55 173.980 173.980 173.575 0.405 25927 7628 1 13 . 1 1 55 55 THR CA C 55 58.717 58.717 59.781 -1.064 25927 7629 1 13 . 1 1 55 55 THR CB C 55 71.839 71.839 71.071 0.768 25927 7630 1 13 . 1 1 55 55 THR H H 55 9.250 9.250 8.895 0.355 25927 7631 1 13 . 1 1 56 56 VAL N N 56 120.047 120.047 125.928 -5.881 25927 7632 1 13 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.708 -0.288 25927 7633 1 13 . 1 1 56 56 VAL C C 56 176.226 176.226 176.534 -0.308 25927 7634 1 13 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.725 -0.684 25927 7635 1 13 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.943 1.818 25927 7636 1 13 . 1 1 56 56 VAL H H 56 8.435 8.435 8.815 -0.380 25927 7637 1 13 . 1 1 57 57 ASN N N 57 125.479 125.479 126.870 -1.391 25927 7638 1 13 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.263 -0.068 25927 7639 1 13 . 1 1 57 57 ASN C C 57 175.026 175.026 175.593 -0.567 25927 7640 1 13 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.576 -0.880 25927 7641 1 13 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.345 -0.346 25927 7642 1 13 . 1 1 57 57 ASN H H 57 9.199 9.199 9.390 -0.191 25927 7643 1 13 . 1 1 58 58 GLN N N 58 116.897 116.897 116.300 0.597 25927 7644 1 13 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.490 -0.304 25927 7645 1 13 . 1 1 58 58 GLN C C 58 175.237 175.237 174.786 0.451 25927 7646 1 13 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.494 1.345 25927 7647 1 13 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.064 -2.481 25927 7648 1 13 . 1 1 58 58 GLN H H 58 8.576 8.576 8.249 0.327 25927 7649 1 13 . 1 1 59 59 ASP N N 59 122.465 122.465 122.796 -0.331 25927 7650 1 13 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.898 -0.182 25927 7651 1 13 . 1 1 59 59 ASP C C 59 175.302 175.302 174.476 0.826 25927 7652 1 13 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.731 0.402 25927 7653 1 13 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.172 -2.719 25927 7654 1 13 . 1 1 59 59 ASP H H 59 8.343 8.343 8.251 0.092 25927 7655 1 13 . 1 1 60 60 VAL N N 60 124.577 124.577 123.390 1.187 25927 7656 1 13 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.145 -0.268 25927 7657 1 13 . 1 1 60 60 VAL C C 60 176.802 176.802 175.652 1.150 25927 7658 1 13 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.908 0.873 25927 7659 1 13 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.750 -1.016 25927 7660 1 13 . 1 1 60 60 VAL H H 60 8.754 8.754 8.717 0.037 25927 7661 1 13 . 1 1 61 61 ILE N N 61 123.852 123.852 124.354 -0.502 25927 7662 1 13 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.570 -0.051 25927 7663 1 13 . 1 1 61 61 ILE C C 61 175.073 175.073 175.132 -0.059 25927 7664 1 13 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.159 -0.560 25927 7665 1 13 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.163 -1.193 25927 7666 1 13 . 1 1 61 61 ILE H H 61 8.984 8.984 8.070 0.914 25927 7667 1 13 . 1 1 62 62 PHE N N 62 119.927 119.927 120.834 -0.907 25927 7668 1 13 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.857 -0.211 25927 7669 1 13 . 1 1 62 62 PHE C C 62 171.958 171.958 172.802 -0.844 25927 7670 1 13 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.438 0.933 25927 7671 1 13 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.712 0.098 25927 7672 1 13 . 1 1 62 62 PHE H H 62 7.557 7.557 7.603 -0.046 25927 7673 1 13 . 1 1 63 63 GLN N N 63 125.524 125.524 122.665 2.859 25927 7674 1 13 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.813 0.296 25927 7675 1 13 . 1 1 63 63 GLN C C 63 172.837 172.837 173.536 -0.699 25927 7676 1 13 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.880 -0.118 25927 7677 1 13 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.779 -0.099 25927 7678 1 13 . 1 1 63 63 GLN H H 63 7.389 7.389 7.681 -0.292 25927 7679 1 13 . 1 1 64 64 THR N N 64 115.981 115.981 114.890 1.091 25927 7680 1 13 . 1 1 64 64 THR HA H 64 4.428 4.428 4.519 -0.091 25927 7681 1 13 . 1 1 64 64 THR C C 64 169.980 169.980 172.132 -2.152 25927 7682 1 13 . 1 1 64 64 THR CA C 64 60.555 60.555 61.029 -0.473 25927 7683 1 13 . 1 1 64 64 THR CB C 64 69.083 69.083 71.802 -2.719 25927 7684 1 13 . 1 1 64 64 THR H H 64 8.588 8.588 8.737 -0.149 25927 7685 1 13 . 1 1 65 65 PHE N N 65 125.997 125.997 123.578 2.419 25927 7686 1 13 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.541 -0.127 25927 7687 1 13 . 1 1 65 65 PHE C C 65 173.940 173.940 174.423 -0.483 25927 7688 1 13 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.257 -0.007 25927 7689 1 13 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.120 0.593 25927 7690 1 13 . 1 1 65 65 PHE H H 65 8.054 8.054 8.275 -0.221 25927 7691 1 13 . 1 1 66 66 LEU N N 66 127.935 127.935 125.545 2.390 25927 7692 1 13 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.545 -0.093 25927 7693 1 13 . 1 1 66 66 LEU C C 66 174.502 174.502 175.123 -0.621 25927 7694 1 13 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.691 -1.082 25927 7695 1 13 . 1 1 66 66 LEU H H 66 8.383 8.383 8.543 -0.160 25927 7696 1 13 . 1 1 67 67 PHE N N 67 123.162 123.162 119.050 4.112 25927 7697 1 13 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.467 -0.843 25927 7698 1 13 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.659 -1.532 25927 7699 1 13 . 1 1 67 67 PHE H H 67 8.285 8.285 8.787 -0.502 25927 7700 1 13 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.517 -0.070 25927 7701 1 13 . 1 1 68 68 PRO C C 68 175.918 175.918 177.082 -1.164 25927 7702 1 13 . 1 1 68 68 PRO CA C 68 61.623 61.623 63.966 -2.343 25927 7703 1 13 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.254 -0.033 25927 7704 1 13 . 1 1 69 69 LEU N N 69 121.360 121.360 119.679 1.681 25927 7705 1 13 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.441 -0.247 25927 7706 1 13 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.428 -0.177 25927 7707 1 13 . 1 1 69 69 LEU CB C 69 40.677 40.677 41.846 -1.169 25927 7708 1 13 . 1 1 69 69 LEU H H 69 8.300 8.300 8.348 -0.048 25927 7709 1 13 . 1 1 70 70 LYS N N 70 123.012 123.012 119.181 3.831 25927 7710 1 13 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.895 -0.195 25927 7711 1 13 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.407 -3.687 25927 7712 1 13 . 1 1 70 70 LYS H H 70 8.156 8.156 7.784 0.372 25927 7713 1 13 . 1 1 71 71 ARG N N 71 125.250 125.250 122.846 2.404 25927 7714 1 13 . 1 1 71 71 ARG C C 71 179.581 179.581 176.814 2.767 25927 7715 1 13 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.464 0.754 25927 7716 1 13 . 1 1 71 71 ARG H H 71 8.279 8.279 8.792 -0.513 25927 7717 1 13 . 1 1 72 72 ASP N N 72 119.355 119.355 120.229 -0.874 25927 7718 1 13 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.523 0.223 25927 7719 1 13 . 1 1 72 72 ASP C C 72 177.124 177.124 177.365 -0.241 25927 7720 1 13 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.977 -0.304 25927 7721 1 13 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.450 -0.403 25927 7722 1 13 . 1 1 72 72 ASP H H 72 8.182 8.182 8.312 -0.130 25927 7723 1 13 . 1 1 73 73 PHE N N 73 122.846 122.846 121.716 1.130 25927 7724 1 13 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.102 0.028 25927 7725 1 13 . 1 1 73 73 PHE C C 73 176.729 176.729 176.825 -0.096 25927 7726 1 13 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.289 0.732 25927 7727 1 13 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.209 0.995 25927 7728 1 13 . 1 1 73 73 PHE H H 73 8.197 8.197 8.102 0.095 25927 7729 1 13 . 1 1 74 74 GLU N N 74 118.652 118.652 118.584 0.068 25927 7730 1 13 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.903 -0.059 25927 7731 1 13 . 1 1 74 74 GLU C C 74 179.310 179.310 178.723 0.587 25927 7732 1 13 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.730 0.921 25927 7733 1 13 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.375 -0.726 25927 7734 1 13 . 1 1 74 74 GLU H H 74 9.098 9.098 9.086 0.012 25927 7735 1 13 . 1 1 75 75 LYS N N 75 117.836 117.836 119.445 -1.609 25927 7736 1 13 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.092 -0.013 25927 7737 1 13 . 1 1 75 75 LYS C C 75 179.312 179.312 179.341 -0.029 25927 7738 1 13 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.427 -0.147 25927 7739 1 13 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.238 0.105 25927 7740 1 13 . 1 1 75 75 LYS H H 75 8.078 8.078 7.749 0.329 25927 7741 1 13 . 1 1 76 76 THR N N 76 118.581 118.581 117.541 1.040 25927 7742 1 13 . 1 1 76 76 THR HA H 76 4.168 4.168 4.149 0.019 25927 7743 1 13 . 1 1 76 76 THR C C 76 175.873 175.873 176.790 -0.917 25927 7744 1 13 . 1 1 76 76 THR CA C 76 67.009 67.009 66.918 0.091 25927 7745 1 13 . 1 1 76 76 THR CB C 76 68.404 68.404 68.577 -0.173 25927 7746 1 13 . 1 1 76 76 THR H H 76 8.031 8.031 8.340 -0.309 25927 7747 1 13 . 1 1 77 77 VAL N N 77 122.994 122.994 121.732 1.262 25927 7748 1 13 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.555 -0.163 25927 7749 1 13 . 1 1 77 77 VAL C C 77 177.137 177.137 177.580 -0.443 25927 7750 1 13 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.904 0.551 25927 7751 1 13 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.255 0.318 25927 7752 1 13 . 1 1 77 77 VAL H H 77 7.999 7.999 8.142 -0.143 25927 7753 1 13 . 1 1 78 78 VAL N N 78 117.994 117.994 118.936 -0.942 25927 7754 1 13 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.502 0.046 25927 7755 1 13 . 1 1 78 78 VAL C C 78 177.830 177.830 177.545 0.285 25927 7756 1 13 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.464 0.810 25927 7757 1 13 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.285 0.458 25927 7758 1 13 . 1 1 78 78 VAL H H 78 7.745 7.745 7.980 -0.235 25927 7759 1 13 . 1 1 79 79 ALA N N 79 120.460 120.460 121.219 -0.759 25927 7760 1 13 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.064 0.116 25927 7761 1 13 . 1 1 79 79 ALA C C 79 176.512 176.512 179.151 -2.639 25927 7762 1 13 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.956 0.145 25927 7763 1 13 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.097 0.073 25927 7764 1 13 . 1 1 79 79 ALA H H 79 7.844 7.844 8.404 -0.560 25927 7765 1 13 . 1 1 80 80 ALA N N 80 119.351 119.351 120.518 -1.167 25927 7766 1 13 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.711 -0.715 25927 7767 1 13 . 1 1 80 80 ALA C C 80 180.805 180.805 179.439 1.366 25927 7768 1 13 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.874 -0.217 25927 7769 1 13 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.488 0.870 25927 7770 1 13 . 1 1 80 80 ALA H H 80 8.178 8.178 8.007 0.171 25927 7771 1 13 . 1 1 81 81 LEU N N 81 123.041 123.041 119.559 3.482 25927 7772 1 13 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.026 -0.162 25927 7773 1 13 . 1 1 81 81 LEU C C 81 179.526 179.526 179.079 0.447 25927 7774 1 13 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.763 1.123 25927 7775 1 13 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.627 0.924 25927 7776 1 13 . 1 1 81 81 LEU H H 81 8.469 8.469 7.278 1.191 25927 7777 1 13 . 1 1 82 82 ILE N N 82 119.350 119.350 118.474 0.876 25927 7778 1 13 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.574 0.253 25927 7779 1 13 . 1 1 82 82 ILE C C 82 179.375 179.375 178.188 1.187 25927 7780 1 13 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.438 -0.859 25927 7781 1 13 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.675 0.939 25927 7782 1 13 . 1 1 82 82 ILE H H 82 7.988 7.988 7.276 0.712 25927 7783 1 13 . 1 1 83 83 GLN N N 83 118.033 118.033 118.264 -0.231 25927 7784 1 13 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.937 0.256 25927 7785 1 13 . 1 1 83 83 GLN C C 83 179.932 179.932 178.633 1.299 25927 7786 1 13 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.743 0.420 25927 7787 1 13 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.022 0.672 25927 7788 1 13 . 1 1 83 83 GLN H H 83 8.665 8.665 8.190 0.475 25927 7789 1 13 . 1 1 84 84 THR N N 84 118.583 118.583 115.323 3.260 25927 7790 1 13 . 1 1 84 84 THR HA H 84 3.813 3.813 4.061 -0.248 25927 7791 1 13 . 1 1 84 84 THR C C 84 175.824 175.824 176.242 -0.418 25927 7792 1 13 . 1 1 84 84 THR CA C 84 68.515 68.515 67.577 0.938 25927 7793 1 13 . 1 1 84 84 THR CB C 84 67.514 67.514 68.815 -1.301 25927 7794 1 13 . 1 1 84 84 THR H H 84 8.355 8.355 8.190 0.165 25927 7795 1 13 . 1 1 85 85 GLU N N 85 121.547 121.547 120.688 0.859 25927 7796 1 13 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.121 0.052 25927 7797 1 13 . 1 1 85 85 GLU C C 85 178.637 178.637 178.515 0.122 25927 7798 1 13 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.199 1.177 25927 7799 1 13 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.891 0.321 25927 7800 1 13 . 1 1 85 85 GLU H H 85 7.846 7.846 7.840 0.006 25927 7801 1 13 . 1 1 86 86 GLU N N 86 118.203 118.203 119.365 -1.162 25927 7802 1 13 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.043 0.061 25927 7803 1 13 . 1 1 86 86 GLU C C 86 179.080 179.080 178.861 0.219 25927 7804 1 13 . 1 1 86 86 GLU CA C 86 59.684 59.684 58.945 0.739 25927 7805 1 13 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.070 0.488 25927 7806 1 13 . 1 1 86 86 GLU H H 86 8.154 8.154 8.525 -0.371 25927 7807 1 13 . 1 1 87 87 ALA N N 87 121.242 121.242 121.584 -0.342 25927 7808 1 13 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.162 0.014 25927 7809 1 13 . 1 1 87 87 ALA C C 87 181.299 181.299 179.237 2.062 25927 7810 1 13 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.750 0.466 25927 7811 1 13 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.652 0.581 25927 7812 1 13 . 1 1 87 87 ALA H H 87 8.181 8.181 7.470 0.711 25927 7813 1 13 . 1 1 88 88 LEU N N 88 119.086 119.086 117.627 1.459 25927 7814 1 13 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.118 -0.121 25927 7815 1 13 . 1 1 88 88 LEU C C 88 179.526 179.526 178.316 1.210 25927 7816 1 13 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.163 1.385 25927 7817 1 13 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.522 -0.278 25927 7818 1 13 . 1 1 88 88 LEU H H 88 8.379 8.379 7.507 0.872 25927 7819 1 13 . 1 1 89 89 ASN N N 89 119.429 119.429 118.835 0.594 25927 7820 1 13 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.519 0.048 25927 7821 1 13 . 1 1 89 89 ASN C C 89 177.117 177.117 177.171 -0.054 25927 7822 1 13 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.468 -0.464 25927 7823 1 13 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.118 0.231 25927 7824 1 13 . 1 1 89 89 ASN H H 89 8.271 8.271 8.827 -0.556 25927 7825 1 13 . 1 1 90 90 ARG N N 90 118.735 118.735 116.983 1.752 25927 7826 1 13 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.465 -0.312 25927 7827 1 13 . 1 1 90 90 ARG C C 90 177.836 177.836 177.180 0.656 25927 7828 1 13 . 1 1 90 90 ARG CA C 90 58.574 58.574 55.911 2.663 25927 7829 1 13 . 1 1 90 90 ARG CB C 90 30.230 30.230 29.765 0.465 25927 7830 1 13 . 1 1 90 90 ARG H H 90 8.010 8.010 7.883 0.127 25927 7831 1 13 . 1 1 91 91 ARG N N 91 118.976 118.976 119.454 -0.478 25927 7832 1 13 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.261 -0.052 25927 7833 1 13 . 1 1 91 91 ARG C C 91 177.455 177.455 177.849 -0.394 25927 7834 1 13 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.416 -0.390 25927 7835 1 13 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.185 -0.398 25927 7836 1 13 . 1 1 91 91 ARG H H 91 7.833 7.833 7.675 0.158 25927 7837 1 13 . 1 1 92 92 GLN N N 92 118.834 118.834 113.923 4.911 25927 7838 1 13 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.535 -0.278 25927 7839 1 13 . 1 1 92 92 GLN C C 92 177.362 177.362 177.562 -0.200 25927 7840 1 13 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.882 0.606 25927 7841 1 13 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.734 -1.602 25927 7842 1 13 . 1 1 92 92 GLN H H 92 7.988 7.988 8.188 -0.200 25927 7843 1 13 . 1 1 93 93 ILE N N 93 120.499 120.499 122.516 -2.017 25927 7844 1 13 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.858 0.158 25927 7845 1 13 . 1 1 93 93 ILE C C 93 177.002 177.002 176.872 0.130 25927 7846 1 13 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.940 -2.079 25927 7847 1 13 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.484 1.084 25927 7848 1 13 . 1 1 93 93 ILE H H 93 7.976 7.976 7.876 0.100 25927 7849 1 13 . 1 1 94 94 ASN N N 94 120.172 120.172 119.438 0.734 25927 7850 1 13 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.302 0.337 25927 7851 1 13 . 1 1 94 94 ASN C C 94 176.336 176.336 177.485 -1.149 25927 7852 1 13 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.231 -1.914 25927 7853 1 13 . 1 1 94 94 ASN CB C 94 38.600 38.600 37.160 1.440 25927 7854 1 13 . 1 1 94 94 ASN H H 94 8.272 8.272 8.119 0.153 25927 7855 1 13 . 1 1 95 95 GLN N N 95 120.288 120.288 119.529 0.759 25927 7856 1 13 . 1 1 95 95 GLN HA H 95 4.180 4.180 3.990 0.190 25927 7857 1 13 . 1 1 95 95 GLN C C 95 176.701 176.701 177.731 -1.030 25927 7858 1 13 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.726 -1.547 25927 7859 1 13 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.593 0.403 25927 7860 1 13 . 1 1 95 95 GLN H H 95 8.303 8.303 7.970 0.333 25927 7861 1 13 . 1 1 96 96 ALA N N 96 123.219 123.219 121.245 1.974 25927 7862 1 13 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.273 -0.012 25927 7863 1 13 . 1 1 96 96 ALA C C 96 178.429 178.429 179.983 -1.554 25927 7864 1 13 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.544 -1.112 25927 7865 1 13 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.827 -0.054 25927 7866 1 13 . 1 1 96 96 ALA H H 96 8.112 8.112 7.561 0.551 25927 7867 1 13 . 1 1 97 97 LEU N N 97 119.452 119.452 118.275 1.177 25927 7868 1 13 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.318 -0.017 25927 7869 1 13 . 1 1 97 97 LEU C C 97 177.834 177.834 178.746 -0.912 25927 7870 1 13 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.559 -1.813 25927 7871 1 13 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.597 0.693 25927 7872 1 13 . 1 1 97 97 LEU H H 97 7.932 7.932 8.240 -0.308 25927 7873 1 13 . 1 1 98 98 LEU N N 98 121.124 121.124 121.013 0.111 25927 7874 1 13 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.232 0.145 25927 7875 1 13 . 1 1 98 98 LEU C C 98 177.729 177.729 177.123 0.606 25927 7876 1 13 . 1 1 98 98 LEU CA C 98 55.426 55.426 55.588 -0.162 25927 7877 1 13 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.577 -0.171 25927 7878 1 13 . 1 1 98 98 LEU H H 98 7.947 7.947 7.971 -0.024 25927 7879 1 13 . 1 1 99 99 SER N N 99 115.913 115.913 111.997 3.916 25927 7880 1 13 . 1 1 99 99 SER HA H 99 4.525 4.525 4.156 0.369 25927 7881 1 13 . 1 1 99 99 SER C C 99 174.980 174.980 173.698 1.282 25927 7882 1 13 . 1 1 99 99 SER CA C 99 58.478 58.478 59.518 -1.040 25927 7883 1 13 . 1 1 99 99 SER CB C 99 63.839 63.839 61.643 2.196 25927 7884 1 13 . 1 1 99 99 SER H H 99 8.238 8.238 7.927 0.311 25927 7885 1 13 . 1 1 100 100 THR N N 100 114.610 114.610 116.726 -2.116 25927 7886 1 13 . 1 1 100 100 THR HA H 100 4.361 4.361 4.575 -0.214 25927 7887 1 13 . 1 1 100 100 THR C C 100 175.368 175.368 174.025 1.343 25927 7888 1 13 . 1 1 100 100 THR CA C 100 62.195 62.195 61.960 0.235 25927 7889 1 13 . 1 1 100 100 THR CB C 100 69.794 69.794 68.934 0.860 25927 7890 1 13 . 1 1 100 100 THR H H 100 8.140 8.140 8.174 -0.034 25927 7891 1 13 . 1 1 101 101 GLY N N 101 110.650 110.650 111.198 -0.548 25927 7892 1 13 . 1 1 101 101 GLY C C 101 173.935 173.935 173.210 0.725 25927 7893 1 13 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.878 0.615 25927 7894 1 13 . 1 1 101 101 GLY H H 101 8.353 8.353 8.495 -0.142 25927 7895 1 13 . 1 1 102 102 ASP N N 102 120.512 120.512 119.550 0.962 25927 7896 1 13 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.937 -0.334 25927 7897 1 13 . 1 1 102 102 ASP C C 102 176.419 176.419 175.930 0.489 25927 7898 1 13 . 1 1 102 102 ASP CA C 102 54.291 54.291 53.356 0.935 25927 7899 1 13 . 1 1 102 102 ASP CB C 102 41.277 41.277 44.067 -2.790 25927 7900 1 13 . 1 1 102 102 ASP H H 102 8.204 8.204 7.975 0.229 25927 7901 1 13 . 1 1 103 103 LEU N N 103 122.331 122.331 119.038 3.293 25927 7902 1 13 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.413 -0.155 25927 7903 1 13 . 1 1 103 103 LEU C C 103 177.394 177.394 175.857 1.537 25927 7904 1 13 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.425 0.103 25927 7905 1 13 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.517 -0.289 25927 7906 1 13 . 1 1 103 103 LEU H H 103 8.170 8.170 8.148 0.022 25927 7907 1 13 . 1 1 104 104 ALA N N 104 123.139 123.139 122.384 0.755 25927 7908 1 13 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.631 -0.431 25927 7909 1 13 . 1 1 104 104 ALA C C 104 177.730 177.730 176.724 1.006 25927 7910 1 13 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.946 0.828 25927 7911 1 13 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.309 -0.304 25927 7912 1 13 . 1 1 104 104 ALA H H 104 8.150 8.150 8.330 -0.180 25927 7913 1 13 . 1 1 105 105 HIS N N 105 117.105 117.105 118.505 -1.400 25927 7914 1 13 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.462 0.179 25927 7915 1 13 . 1 1 105 105 HIS C C 105 174.414 174.414 174.883 -0.469 25927 7916 1 13 . 1 1 105 105 HIS CA C 105 55.520 55.520 58.089 -2.569 25927 7917 1 13 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.313 -1.035 25927 7918 1 13 . 1 1 105 105 HIS H H 105 8.239 8.239 8.065 0.174 25927 7919 1 13 . 1 1 106 106 ASP N N 106 121.315 121.315 116.798 4.517 25927 7920 1 13 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.447 0.156 25927 7921 1 13 . 1 1 106 106 ASP C C 106 176.370 176.370 175.824 0.546 25927 7922 1 13 . 1 1 106 106 ASP CA C 106 54.319 54.319 53.538 0.782 25927 7923 1 13 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.405 1.009 25927 7924 1 13 . 1 1 106 106 ASP H H 106 8.298 8.298 8.168 0.130 25927 7925 1 13 . 1 1 107 107 GLU N N 107 121.228 121.228 118.875 2.353 25927 7926 1 13 . 1 1 107 107 GLU HA H 107 4.108 4.108 3.839 0.269 25927 7927 1 13 . 1 1 107 107 GLU C C 107 176.248 176.248 175.679 0.569 25927 7928 1 13 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.632 -0.440 25927 7929 1 13 . 1 1 107 107 GLU CB C 107 30.095 30.095 29.951 0.144 25927 7930 1 13 . 1 1 107 107 GLU H H 107 8.536 8.536 8.249 0.287 25927 7931 1 14 . 1 1 2 2 VAL N N 2 119.413 119.413 118.196 1.217 25927 7932 1 14 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.829 -0.697 25927 7933 1 14 . 1 1 2 2 VAL C C 2 175.957 175.957 175.715 0.242 25927 7934 1 14 . 1 1 2 2 VAL CA C 2 62.517 62.517 61.508 1.009 25927 7935 1 14 . 1 1 2 2 VAL CB C 2 32.676 32.676 34.000 -1.324 25927 7936 1 14 . 1 1 2 2 VAL H H 2 8.453 8.453 9.099 -0.646 25927 7937 1 14 . 1 1 3 3 GLU N N 3 125.255 125.255 123.685 1.570 25927 7938 1 14 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.762 -0.414 25927 7939 1 14 . 1 1 3 3 GLU C C 3 176.154 176.154 174.845 1.309 25927 7940 1 14 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.736 0.733 25927 7941 1 14 . 1 1 3 3 GLU CB C 3 30.382 30.382 31.444 -1.062 25927 7942 1 14 . 1 1 3 3 GLU H H 3 8.587 8.587 8.634 -0.047 25927 7943 1 14 . 1 1 4 4 VAL N N 4 121.132 121.132 121.104 0.028 25927 7944 1 14 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.129 -0.008 25927 7945 1 14 . 1 1 4 4 VAL C C 4 175.762 175.762 175.651 0.111 25927 7946 1 14 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.454 0.574 25927 7947 1 14 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.815 -1.759 25927 7948 1 14 . 1 1 4 4 VAL H H 4 8.172 8.172 8.199 -0.027 25927 7949 1 14 . 1 1 5 5 GLU N N 5 125.223 125.223 125.122 0.101 25927 7950 1 14 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.351 -0.027 25927 7951 1 14 . 1 1 5 5 GLU C C 5 176.006 176.006 176.338 -0.332 25927 7952 1 14 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.182 0.207 25927 7953 1 14 . 1 1 5 5 GLU CB C 5 30.419 30.419 27.481 2.938 25927 7954 1 14 . 1 1 5 5 GLU H H 5 8.472 8.472 8.760 -0.288 25927 7955 1 14 . 1 1 6 6 VAL N N 6 123.435 123.435 121.071 2.364 25927 7956 1 14 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.955 0.481 25927 7957 1 14 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.784 -5.038 25927 7958 1 14 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.783 1.955 25927 7959 1 14 . 1 1 6 6 VAL H H 6 8.288 8.288 7.975 0.313 25927 7960 1 14 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.599 -0.163 25927 7961 1 14 . 1 1 7 7 PRO C C 7 177.461 177.461 176.472 0.989 25927 7962 1 14 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.341 1.004 25927 7963 1 14 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.766 -0.462 25927 7964 1 14 . 1 1 8 8 GLY N N 8 108.925 108.925 106.348 2.577 25927 7965 1 14 . 1 1 8 8 GLY C C 8 173.995 173.995 173.290 0.705 25927 7966 1 14 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.928 0.498 25927 7967 1 14 . 1 1 8 8 GLY H H 8 8.334 8.334 8.213 0.121 25927 7968 1 14 . 1 1 9 9 LEU N N 9 121.559 121.559 121.045 0.514 25927 7969 1 14 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.756 -0.297 25927 7970 1 14 . 1 1 9 9 LEU C C 9 176.870 176.870 175.754 1.116 25927 7971 1 14 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.410 1.211 25927 7972 1 14 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.241 0.807 25927 7973 1 14 . 1 1 9 9 LEU H H 9 8.150 8.150 8.490 -0.340 25927 7974 1 14 . 1 1 10 10 LEU N N 10 122.690 122.690 122.474 0.216 25927 7975 1 14 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.424 0.737 25927 7976 1 14 . 1 1 10 10 LEU C C 10 177.427 177.427 177.165 0.262 25927 7977 1 14 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.779 -1.917 25927 7978 1 14 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.947 1.701 25927 7979 1 14 . 1 1 10 10 LEU H H 10 8.348 8.348 7.736 0.612 25927 7980 1 14 . 1 1 11 11 THR N N 11 124.118 124.118 118.933 5.185 25927 7981 1 14 . 1 1 11 11 THR HA H 11 4.295 4.295 4.439 -0.144 25927 7982 1 14 . 1 1 11 11 THR C C 11 172.853 172.853 173.885 -1.032 25927 7983 1 14 . 1 1 11 11 THR CA C 11 63.577 63.577 60.919 2.658 25927 7984 1 14 . 1 1 11 11 THR CB C 11 69.325 69.325 71.474 -2.149 25927 7985 1 14 . 1 1 11 11 THR H H 11 9.186 9.186 8.023 1.163 25927 7986 1 14 . 1 1 12 12 ASP N N 12 127.226 127.226 125.328 1.898 25927 7987 1 14 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.809 0.488 25927 7988 1 14 . 1 1 12 12 ASP C C 12 176.060 176.060 175.781 0.279 25927 7989 1 14 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.571 0.208 25927 7990 1 14 . 1 1 12 12 ASP CB C 12 39.044 39.044 38.035 1.009 25927 7991 1 14 . 1 1 12 12 ASP H H 12 8.880 8.880 8.416 0.464 25927 7992 1 14 . 1 1 13 13 HIS N N 13 127.146 127.146 121.937 5.209 25927 7993 1 14 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.500 0.808 25927 7994 1 14 . 1 1 13 13 HIS C C 13 175.365 175.365 173.880 1.485 25927 7995 1 14 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.472 -2.314 25927 7996 1 14 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.800 1.154 25927 7997 1 14 . 1 1 13 13 HIS H H 13 8.867 8.867 7.933 0.934 25927 7998 1 14 . 1 1 14 14 THR N N 14 112.885 112.885 110.119 2.766 25927 7999 1 14 . 1 1 14 14 THR HA H 14 4.522 4.522 4.666 -0.144 25927 8000 1 14 . 1 1 14 14 THR C C 14 174.626 174.626 174.338 0.288 25927 8001 1 14 . 1 1 14 14 THR CA C 14 63.245 63.245 60.616 2.629 25927 8002 1 14 . 1 1 14 14 THR CB C 14 70.178 70.178 71.015 -0.837 25927 8003 1 14 . 1 1 14 14 THR H H 14 8.583 8.583 7.719 0.864 25927 8004 1 14 . 1 1 15 15 VAL N N 15 113.207 113.207 119.337 -6.130 25927 8005 1 14 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.396 0.249 25927 8006 1 14 . 1 1 15 15 VAL C C 15 175.216 175.216 174.586 0.630 25927 8007 1 14 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.416 0.848 25927 8008 1 14 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.806 2.574 25927 8009 1 14 . 1 1 15 15 VAL H H 15 9.104 9.104 8.315 0.789 25927 8010 1 14 . 1 1 16 16 SER N N 16 122.970 122.970 114.716 8.254 25927 8011 1 14 . 1 1 16 16 SER HA H 16 4.196 4.196 4.737 -0.541 25927 8012 1 14 . 1 1 16 16 SER C C 16 174.515 174.515 176.030 -1.515 25927 8013 1 14 . 1 1 16 16 SER CA C 16 57.126 57.126 55.813 1.313 25927 8014 1 14 . 1 1 16 16 SER CB C 16 67.073 67.073 65.470 1.603 25927 8015 1 14 . 1 1 16 16 SER H H 16 9.340 9.340 7.593 1.747 25927 8016 1 14 . 1 1 17 17 SER N N 17 116.643 116.643 121.692 -5.049 25927 8017 1 14 . 1 1 17 17 SER HA H 17 4.157 4.157 4.301 -0.144 25927 8018 1 14 . 1 1 17 17 SER C C 17 176.576 176.576 175.606 0.970 25927 8019 1 14 . 1 1 17 17 SER CA C 17 62.451 62.451 61.047 1.404 25927 8020 1 14 . 1 1 17 17 SER CB C 17 62.539 62.539 63.002 -0.463 25927 8021 1 14 . 1 1 17 17 SER H H 17 8.926 8.926 8.831 0.095 25927 8022 1 14 . 1 1 18 18 ILE N N 18 120.198 120.198 115.276 4.922 25927 8023 1 14 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.387 -0.316 25927 8024 1 14 . 1 1 18 18 ILE C C 18 177.925 177.925 177.956 -0.031 25927 8025 1 14 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.240 2.141 25927 8026 1 14 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.367 -0.787 25927 8027 1 14 . 1 1 18 18 ILE H H 18 7.848 7.848 7.470 0.378 25927 8028 1 14 . 1 1 19 19 GLY N N 19 111.905 111.905 108.741 3.164 25927 8029 1 14 . 1 1 19 19 GLY C C 19 176.153 176.153 176.280 -0.127 25927 8030 1 14 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.291 -0.451 25927 8031 1 14 . 1 1 19 19 GLY H H 19 7.921 7.921 8.303 -0.382 25927 8032 1 14 . 1 1 20 20 HIS N N 20 120.808 120.808 121.575 -0.767 25927 8033 1 14 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.620 0.142 25927 8034 1 14 . 1 1 20 20 HIS C C 20 178.606 178.606 177.306 1.300 25927 8035 1 14 . 1 1 20 20 HIS CA C 20 57.858 57.858 58.299 -0.441 25927 8036 1 14 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.020 -2.305 25927 8037 1 14 . 1 1 20 20 HIS H H 20 8.842 8.842 8.568 0.274 25927 8038 1 14 . 1 1 21 21 ASP N N 21 121.572 121.572 120.133 1.439 25927 8039 1 14 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.403 0.131 25927 8040 1 14 . 1 1 21 21 ASP C C 21 179.630 179.630 178.425 1.205 25927 8041 1 14 . 1 1 21 21 ASP CA C 21 57.505 57.505 58.028 -0.523 25927 8042 1 14 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.693 -0.928 25927 8043 1 14 . 1 1 21 21 ASP H H 21 8.592 8.592 7.659 0.933 25927 8044 1 14 . 1 1 22 22 PHE N N 22 123.889 123.889 122.486 1.403 25927 8045 1 14 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.116 -0.021 25927 8046 1 14 . 1 1 22 22 PHE C C 22 175.647 175.647 176.719 -1.072 25927 8047 1 14 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.210 0.718 25927 8048 1 14 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.438 -0.291 25927 8049 1 14 . 1 1 22 22 PHE H H 22 8.790 8.790 8.890 -0.100 25927 8050 1 14 . 1 1 23 23 TYR N N 23 119.855 119.855 119.994 -0.139 25927 8051 1 14 . 1 1 23 23 TYR HA H 23 3.781 3.781 4.011 -0.230 25927 8052 1 14 . 1 1 23 23 TYR C C 23 177.585 177.585 177.389 0.196 25927 8053 1 14 . 1 1 23 23 TYR CA C 23 62.973 62.973 63.031 -0.058 25927 8054 1 14 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.606 -0.227 25927 8055 1 14 . 1 1 23 23 TYR H H 23 9.008 9.008 8.036 0.972 25927 8056 1 14 . 1 1 24 24 ARG N N 24 120.673 120.673 118.360 2.313 25927 8057 1 14 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.883 -0.165 25927 8058 1 14 . 1 1 24 24 ARG C C 24 177.149 177.149 178.708 -1.559 25927 8059 1 14 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.126 0.234 25927 8060 1 14 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.319 0.115 25927 8061 1 14 . 1 1 24 24 ARG H H 24 8.576 8.576 7.693 0.883 25927 8062 1 14 . 1 1 25 25 ALA N N 25 120.718 120.718 122.926 -2.208 25927 8063 1 14 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.089 0.022 25927 8064 1 14 . 1 1 25 25 ALA C C 25 179.502 179.502 179.148 0.354 25927 8065 1 14 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.860 -0.050 25927 8066 1 14 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.552 0.838 25927 8067 1 14 . 1 1 25 25 ALA H H 25 8.080 8.080 8.455 -0.375 25927 8068 1 14 . 1 1 26 26 PHE N N 26 118.193 118.193 119.240 -1.047 25927 8069 1 14 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.882 -0.384 25927 8070 1 14 . 1 1 26 26 PHE C C 26 177.120 177.120 176.822 0.298 25927 8071 1 14 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.532 0.765 25927 8072 1 14 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.037 0.870 25927 8073 1 14 . 1 1 26 26 PHE H H 26 8.467 8.467 8.188 0.279 25927 8074 1 14 . 1 1 27 27 SER N N 27 112.572 112.572 113.960 -1.388 25927 8075 1 14 . 1 1 27 27 SER HA H 27 3.845 3.845 4.252 -0.407 25927 8076 1 14 . 1 1 27 27 SER C C 27 176.828 176.828 176.508 0.320 25927 8077 1 14 . 1 1 27 27 SER CA C 27 61.656 61.656 61.028 0.628 25927 8078 1 14 . 1 1 27 27 SER CB C 27 62.952 62.952 62.888 0.064 25927 8079 1 14 . 1 1 27 27 SER H H 27 8.477 8.477 8.060 0.417 25927 8080 1 14 . 1 1 28 28 ASP N N 28 119.022 119.022 121.555 -2.533 25927 8081 1 14 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.496 -0.072 25927 8082 1 14 . 1 1 28 28 ASP C C 28 177.325 177.325 177.347 -0.022 25927 8083 1 14 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.397 0.260 25927 8084 1 14 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.932 0.342 25927 8085 1 14 . 1 1 28 28 ASP H H 28 8.019 8.019 8.117 -0.098 25927 8086 1 14 . 1 1 29 29 LYS N N 29 115.330 115.330 115.624 -0.294 25927 8087 1 14 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.377 -0.018 25927 8088 1 14 . 1 1 29 29 LYS C C 29 175.910 175.910 176.306 -0.396 25927 8089 1 14 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.292 -0.128 25927 8090 1 14 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.653 2.657 25927 8091 1 14 . 1 1 29 29 LYS H H 29 6.910 6.910 7.536 -0.626 25927 8092 1 14 . 1 1 30 30 TRP N N 30 122.847 122.847 123.928 -1.081 25927 8093 1 14 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.101 0.076 25927 8094 1 14 . 1 1 30 30 TRP C C 30 175.188 175.188 175.126 0.062 25927 8095 1 14 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.789 -0.748 25927 8096 1 14 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.624 0.296 25927 8097 1 14 . 1 1 30 30 TRP H H 30 7.638 7.638 7.564 0.074 25927 8098 1 14 . 1 1 31 31 GLU N N 31 128.182 128.182 125.270 2.912 25927 8099 1 14 . 1 1 31 31 GLU HA H 31 4.159 4.159 3.943 0.216 25927 8100 1 14 . 1 1 31 31 GLU C C 31 173.960 173.960 173.528 0.432 25927 8101 1 14 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.419 -0.305 25927 8102 1 14 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.211 -0.128 25927 8103 1 14 . 1 1 31 31 GLU H H 31 7.426 7.426 7.318 0.108 25927 8104 1 14 . 1 1 32 32 SER N N 32 115.672 115.672 117.998 -2.326 25927 8105 1 14 . 1 1 32 32 SER HA H 32 4.100 4.100 4.609 -0.509 25927 8106 1 14 . 1 1 32 32 SER C C 32 173.864 173.864 173.560 0.304 25927 8107 1 14 . 1 1 32 32 SER CA C 32 57.344 57.344 57.627 -0.283 25927 8108 1 14 . 1 1 32 32 SER CB C 32 64.220 64.220 65.021 -0.801 25927 8109 1 14 . 1 1 32 32 SER H H 32 7.276 7.276 8.083 -0.807 25927 8110 1 14 . 1 1 33 33 ASP N N 33 123.759 123.759 121.675 2.084 25927 8111 1 14 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.597 0.026 25927 8112 1 14 . 1 1 33 33 ASP C C 33 176.175 176.175 176.644 -0.469 25927 8113 1 14 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.950 -0.821 25927 8114 1 14 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.354 -0.744 25927 8115 1 14 . 1 1 33 33 ASP H H 33 8.429 8.429 8.563 -0.134 25927 8116 1 14 . 1 1 34 34 TYR N N 34 122.283 122.283 118.431 3.852 25927 8117 1 14 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.623 -0.049 25927 8118 1 14 . 1 1 34 34 TYR C C 34 177.025 177.025 176.364 0.661 25927 8119 1 14 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.467 1.350 25927 8120 1 14 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.358 -0.224 25927 8121 1 14 . 1 1 34 34 TYR H H 34 8.649 8.649 7.736 0.913 25927 8122 1 14 . 1 1 35 35 THR N N 35 116.852 116.852 112.847 4.005 25927 8123 1 14 . 1 1 35 35 THR HA H 35 4.311 4.311 4.111 0.200 25927 8124 1 14 . 1 1 35 35 THR C C 35 174.704 174.704 174.344 0.360 25927 8125 1 14 . 1 1 35 35 THR CA C 35 61.364 61.364 62.834 -1.470 25927 8126 1 14 . 1 1 35 35 THR CB C 35 69.454 69.454 68.766 0.688 25927 8127 1 14 . 1 1 35 35 THR H H 35 8.067 8.067 8.498 -0.431 25927 8128 1 14 . 1 1 36 36 GLY N N 36 107.698 107.698 107.420 0.278 25927 8129 1 14 . 1 1 36 36 GLY C C 36 171.455 171.455 174.233 -2.778 25927 8130 1 14 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.096 -0.578 25927 8131 1 14 . 1 1 36 36 GLY H H 36 5.732 5.732 6.604 -0.872 25927 8132 1 14 . 1 1 37 37 ASN N N 37 117.424 117.424 118.957 -1.533 25927 8133 1 14 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.726 0.259 25927 8134 1 14 . 1 1 37 37 ASN C C 37 175.393 175.393 173.676 1.717 25927 8135 1 14 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.283 0.550 25927 8136 1 14 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.246 3.267 25927 8137 1 14 . 1 1 37 37 ASN H H 37 8.346 8.346 8.519 -0.173 25927 8138 1 14 . 1 1 38 38 LEU N N 38 126.809 126.809 118.536 8.273 25927 8139 1 14 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.646 -0.648 25927 8140 1 14 . 1 1 38 38 LEU C C 38 175.770 175.770 175.353 0.417 25927 8141 1 14 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.844 2.170 25927 8142 1 14 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.564 -0.498 25927 8143 1 14 . 1 1 38 38 LEU H H 38 8.469 8.469 7.786 0.683 25927 8144 1 14 . 1 1 39 39 THR N N 39 119.369 119.369 114.257 5.112 25927 8145 1 14 . 1 1 39 39 THR HA H 39 4.799 4.799 4.929 -0.130 25927 8146 1 14 . 1 1 39 39 THR C C 39 172.224 172.224 172.715 -0.491 25927 8147 1 14 . 1 1 39 39 THR CA C 39 61.958 61.958 60.561 1.397 25927 8148 1 14 . 1 1 39 39 THR CB C 39 70.327 70.327 72.132 -1.805 25927 8149 1 14 . 1 1 39 39 THR H H 39 8.849 8.849 8.894 -0.045 25927 8150 1 14 . 1 1 40 40 ILE N N 40 125.490 125.490 123.959 1.531 25927 8151 1 14 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.376 0.144 25927 8152 1 14 . 1 1 40 40 ILE C C 40 173.125 173.125 173.770 -0.645 25927 8153 1 14 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.420 0.761 25927 8154 1 14 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.038 -2.588 25927 8155 1 14 . 1 1 40 40 ILE H H 40 8.562 8.562 7.965 0.597 25927 8156 1 14 . 1 1 41 41 ASN N N 41 124.656 124.656 124.211 0.445 25927 8157 1 14 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.725 -0.825 25927 8158 1 14 . 1 1 41 41 ASN C C 41 173.445 173.445 174.099 -0.654 25927 8159 1 14 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.597 0.482 25927 8160 1 14 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.404 -0.288 25927 8161 1 14 . 1 1 41 41 ASN H H 41 9.173 9.173 8.794 0.379 25927 8162 1 14 . 1 1 42 42 GLU N N 42 120.095 120.095 121.023 -0.928 25927 8163 1 14 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.413 -0.028 25927 8164 1 14 . 1 1 42 42 GLU C C 42 173.971 173.971 175.488 -1.517 25927 8165 1 14 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.766 -0.636 25927 8166 1 14 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.304 2.153 25927 8167 1 14 . 1 1 42 42 GLU H H 42 7.741 7.741 8.292 -0.551 25927 8168 1 14 . 1 1 43 43 ARG N N 43 127.178 127.178 122.348 4.830 25927 8169 1 14 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.812 0.221 25927 8170 1 14 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.248 0.447 25927 8171 1 14 . 1 1 43 43 ARG CB C 43 32.488 32.488 31.549 0.938 25927 8172 1 14 . 1 1 43 43 ARG H H 43 9.039 9.039 8.838 0.201 25927 8173 1 14 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.701 0.026 25927 8174 1 14 . 1 1 44 44 PRO C C 44 176.335 176.335 176.273 0.062 25927 8175 1 14 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.927 0.415 25927 8176 1 14 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.181 0.493 25927 8177 1 14 . 1 1 45 45 SER N N 45 117.089 117.089 122.755 -5.666 25927 8178 1 14 . 1 1 45 45 SER HA H 45 4.837 4.837 4.734 0.103 25927 8179 1 14 . 1 1 45 45 SER C C 45 174.334 174.334 174.571 -0.237 25927 8180 1 14 . 1 1 45 45 SER CA C 45 56.688 56.688 57.448 -0.760 25927 8181 1 14 . 1 1 45 45 SER CB C 45 64.628 64.628 64.319 0.309 25927 8182 1 14 . 1 1 45 45 SER H H 45 8.497 8.497 9.007 -0.510 25927 8183 1 14 . 1 1 46 46 ALA N N 46 126.901 126.901 127.660 -0.759 25927 8184 1 14 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.025 0.197 25927 8185 1 14 . 1 1 46 46 ALA C C 46 178.171 178.171 178.587 -0.416 25927 8186 1 14 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.200 -0.112 25927 8187 1 14 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.959 -0.367 25927 8188 1 14 . 1 1 46 46 ALA H H 46 8.780 8.780 8.716 0.064 25927 8189 1 14 . 1 1 47 47 ARG N N 47 117.860 117.860 117.257 0.603 25927 8190 1 14 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.163 0.247 25927 8191 1 14 . 1 1 47 47 ARG C C 47 175.674 175.674 176.544 -0.870 25927 8192 1 14 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.194 -1.942 25927 8193 1 14 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.679 0.907 25927 8194 1 14 . 1 1 47 47 ARG H H 47 8.381 8.381 8.059 0.322 25927 8195 1 14 . 1 1 48 48 ALA N N 48 121.099 121.099 117.734 3.365 25927 8196 1 14 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.529 -0.110 25927 8197 1 14 . 1 1 48 48 ALA C C 48 176.874 176.874 175.736 1.138 25927 8198 1 14 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.166 1.102 25927 8199 1 14 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.409 -1.628 25927 8200 1 14 . 1 1 48 48 ALA H H 48 8.012 8.012 8.159 -0.147 25927 8201 1 14 . 1 1 49 49 GLY N N 49 106.126 106.126 106.760 -0.634 25927 8202 1 14 . 1 1 49 49 GLY C C 49 172.803 172.803 171.788 1.015 25927 8203 1 14 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.861 -1.371 25927 8204 1 14 . 1 1 49 49 GLY H H 49 7.946 7.946 8.108 -0.162 25927 8205 1 14 . 1 1 50 50 SER N N 50 113.972 113.972 115.844 -1.872 25927 8206 1 14 . 1 1 50 50 SER HA H 50 4.736 4.736 5.338 -0.602 25927 8207 1 14 . 1 1 50 50 SER C C 50 171.367 171.367 173.377 -2.010 25927 8208 1 14 . 1 1 50 50 SER CA C 50 57.165 57.165 56.578 0.587 25927 8209 1 14 . 1 1 50 50 SER CB C 50 66.797 66.797 65.976 0.821 25927 8210 1 14 . 1 1 50 50 SER H H 50 7.631 7.631 7.606 0.025 25927 8211 1 14 . 1 1 51 51 TRP N N 51 121.787 121.787 127.269 -5.482 25927 8212 1 14 . 1 1 51 51 TRP HA H 51 4.856 4.856 5.064 -0.208 25927 8213 1 14 . 1 1 51 51 TRP C C 51 176.055 176.055 175.956 0.099 25927 8214 1 14 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.142 -0.349 25927 8215 1 14 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.241 0.293 25927 8216 1 14 . 1 1 51 51 TRP H H 51 8.588 8.588 9.174 -0.586 25927 8217 1 14 . 1 1 52 52 ILE N N 52 126.898 126.898 127.437 -0.539 25927 8218 1 14 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.731 0.340 25927 8219 1 14 . 1 1 52 52 ILE C C 52 175.754 175.754 175.563 0.191 25927 8220 1 14 . 1 1 52 52 ILE CA C 52 56.733 56.733 59.081 -2.348 25927 8221 1 14 . 1 1 52 52 ILE CB C 52 38.355 38.355 37.168 1.187 25927 8222 1 14 . 1 1 52 52 ILE H H 52 8.963 8.963 9.118 -0.155 25927 8223 1 14 . 1 1 53 53 THR N N 53 116.271 116.271 124.056 -7.785 25927 8224 1 14 . 1 1 53 53 THR HA H 53 5.095 5.095 4.803 0.292 25927 8225 1 14 . 1 1 53 53 THR C C 53 173.382 173.382 172.953 0.429 25927 8226 1 14 . 1 1 53 53 THR CA C 53 59.290 59.290 61.838 -2.548 25927 8227 1 14 . 1 1 53 53 THR CB C 53 71.819 71.819 70.934 0.885 25927 8228 1 14 . 1 1 53 53 THR H H 53 8.371 8.371 9.181 -0.810 25927 8229 1 14 . 1 1 54 54 ILE N N 54 124.947 124.947 129.749 -4.802 25927 8230 1 14 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.086 0.097 25927 8231 1 14 . 1 1 54 54 ILE C C 54 175.952 175.952 173.952 2.000 25927 8232 1 14 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.439 2.155 25927 8233 1 14 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.691 -2.074 25927 8234 1 14 . 1 1 54 54 ILE H H 54 9.056 9.056 9.029 0.027 25927 8235 1 14 . 1 1 55 55 THR N N 55 118.298 118.298 123.146 -4.848 25927 8236 1 14 . 1 1 55 55 THR HA H 55 5.458 5.458 5.133 0.325 25927 8237 1 14 . 1 1 55 55 THR C C 55 173.980 173.980 173.570 0.410 25927 8238 1 14 . 1 1 55 55 THR CA C 55 58.717 58.717 59.790 -1.073 25927 8239 1 14 . 1 1 55 55 THR CB C 55 71.839 71.839 71.096 0.743 25927 8240 1 14 . 1 1 55 55 THR H H 55 9.250 9.250 8.888 0.362 25927 8241 1 14 . 1 1 56 56 VAL N N 56 120.047 120.047 125.964 -5.917 25927 8242 1 14 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.715 -0.295 25927 8243 1 14 . 1 1 56 56 VAL C C 56 176.226 176.226 176.520 -0.294 25927 8244 1 14 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.690 -0.649 25927 8245 1 14 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.979 1.782 25927 8246 1 14 . 1 1 56 56 VAL H H 56 8.435 8.435 8.814 -0.379 25927 8247 1 14 . 1 1 57 57 ASN N N 57 125.479 125.479 126.840 -1.361 25927 8248 1 14 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.269 -0.074 25927 8249 1 14 . 1 1 57 57 ASN C C 57 175.026 175.026 175.589 -0.563 25927 8250 1 14 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.579 -0.883 25927 8251 1 14 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.346 -0.347 25927 8252 1 14 . 1 1 57 57 ASN H H 57 9.199 9.199 9.364 -0.165 25927 8253 1 14 . 1 1 58 58 GLN N N 58 116.897 116.897 116.336 0.561 25927 8254 1 14 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.495 -0.309 25927 8255 1 14 . 1 1 58 58 GLN C C 58 175.237 175.237 174.786 0.451 25927 8256 1 14 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.503 1.336 25927 8257 1 14 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.069 -2.486 25927 8258 1 14 . 1 1 58 58 GLN H H 58 8.576 8.576 8.262 0.314 25927 8259 1 14 . 1 1 59 59 ASP N N 59 122.465 122.465 122.772 -0.307 25927 8260 1 14 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.905 -0.189 25927 8261 1 14 . 1 1 59 59 ASP C C 59 175.302 175.302 174.477 0.825 25927 8262 1 14 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.734 0.398 25927 8263 1 14 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.205 -2.752 25927 8264 1 14 . 1 1 59 59 ASP H H 59 8.343 8.343 8.238 0.105 25927 8265 1 14 . 1 1 60 60 VAL N N 60 124.577 124.577 123.383 1.194 25927 8266 1 14 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.159 -0.282 25927 8267 1 14 . 1 1 60 60 VAL C C 60 176.802 176.802 175.660 1.142 25927 8268 1 14 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.928 0.853 25927 8269 1 14 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.755 -1.021 25927 8270 1 14 . 1 1 60 60 VAL H H 60 8.754 8.754 8.723 0.031 25927 8271 1 14 . 1 1 61 61 ILE N N 61 123.852 123.852 124.398 -0.546 25927 8272 1 14 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.580 -0.061 25927 8273 1 14 . 1 1 61 61 ILE C C 61 175.073 175.073 175.154 -0.081 25927 8274 1 14 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.203 -0.604 25927 8275 1 14 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.196 -1.226 25927 8276 1 14 . 1 1 61 61 ILE H H 61 8.984 8.984 8.109 0.875 25927 8277 1 14 . 1 1 62 62 PHE N N 62 119.927 119.927 120.998 -1.071 25927 8278 1 14 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.880 -0.234 25927 8279 1 14 . 1 1 62 62 PHE C C 62 171.958 171.958 172.780 -0.822 25927 8280 1 14 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.138 1.233 25927 8281 1 14 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.770 0.040 25927 8282 1 14 . 1 1 62 62 PHE H H 62 7.557 7.557 7.617 -0.060 25927 8283 1 14 . 1 1 63 63 GLN N N 63 125.524 125.524 122.397 3.127 25927 8284 1 14 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.745 0.364 25927 8285 1 14 . 1 1 63 63 GLN C C 63 172.837 172.837 173.528 -0.691 25927 8286 1 14 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.948 -0.186 25927 8287 1 14 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.788 -0.108 25927 8288 1 14 . 1 1 63 63 GLN H H 63 7.389 7.389 7.595 -0.206 25927 8289 1 14 . 1 1 64 64 THR N N 64 115.981 115.981 114.360 1.621 25927 8290 1 14 . 1 1 64 64 THR HA H 64 4.428 4.428 4.376 0.052 25927 8291 1 14 . 1 1 64 64 THR C C 64 169.980 169.980 171.659 -1.679 25927 8292 1 14 . 1 1 64 64 THR CA C 64 60.555 60.555 60.876 -0.321 25927 8293 1 14 . 1 1 64 64 THR CB C 64 69.083 69.083 71.093 -2.010 25927 8294 1 14 . 1 1 64 64 THR H H 64 8.588 8.588 8.671 -0.083 25927 8295 1 14 . 1 1 65 65 PHE N N 65 125.997 125.997 125.249 0.748 25927 8296 1 14 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.408 0.006 25927 8297 1 14 . 1 1 65 65 PHE C C 65 173.940 173.940 173.999 -0.059 25927 8298 1 14 . 1 1 65 65 PHE CA C 65 57.250 57.250 54.904 2.346 25927 8299 1 14 . 1 1 65 65 PHE CB C 65 40.713 40.713 39.216 1.497 25927 8300 1 14 . 1 1 65 65 PHE H H 65 8.054 8.054 8.110 -0.056 25927 8301 1 14 . 1 1 66 66 LEU N N 66 127.935 127.935 127.458 0.477 25927 8302 1 14 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.349 0.103 25927 8303 1 14 . 1 1 66 66 LEU C C 66 174.502 174.502 175.293 -0.791 25927 8304 1 14 . 1 1 66 66 LEU CB C 66 43.609 43.609 43.552 0.057 25927 8305 1 14 . 1 1 66 66 LEU H H 66 8.383 8.383 8.526 -0.143 25927 8306 1 14 . 1 1 67 67 PHE N N 67 123.162 123.162 119.450 3.712 25927 8307 1 14 . 1 1 67 67 PHE HA H 67 4.624 4.624 4.743 -0.119 25927 8308 1 14 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.832 -1.705 25927 8309 1 14 . 1 1 67 67 PHE H H 67 8.285 8.285 8.611 -0.326 25927 8310 1 14 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.458 -0.011 25927 8311 1 14 . 1 1 68 68 PRO C C 68 175.918 175.918 177.000 -1.082 25927 8312 1 14 . 1 1 68 68 PRO CA C 68 61.623 61.623 63.872 -2.249 25927 8313 1 14 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.197 0.024 25927 8314 1 14 . 1 1 69 69 LEU N N 69 121.360 121.360 120.527 0.833 25927 8315 1 14 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.333 -0.139 25927 8316 1 14 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.572 -0.321 25927 8317 1 14 . 1 1 69 69 LEU CB C 69 40.677 40.677 41.602 -0.925 25927 8318 1 14 . 1 1 69 69 LEU H H 69 8.300 8.300 8.293 0.007 25927 8319 1 14 . 1 1 70 70 LYS N N 70 123.012 123.012 117.356 5.656 25927 8320 1 14 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.731 -0.031 25927 8321 1 14 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.214 -3.494 25927 8322 1 14 . 1 1 70 70 LYS H H 70 8.156 8.156 7.801 0.355 25927 8323 1 14 . 1 1 71 71 ARG N N 71 125.250 125.250 120.338 4.912 25927 8324 1 14 . 1 1 71 71 ARG C C 71 179.581 179.581 176.767 2.814 25927 8325 1 14 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.459 0.759 25927 8326 1 14 . 1 1 71 71 ARG H H 71 8.279 8.279 8.803 -0.524 25927 8327 1 14 . 1 1 72 72 ASP N N 72 119.355 119.355 119.947 -0.592 25927 8328 1 14 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.511 0.235 25927 8329 1 14 . 1 1 72 72 ASP C C 72 177.124 177.124 177.266 -0.142 25927 8330 1 14 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.889 -0.216 25927 8331 1 14 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.431 -0.384 25927 8332 1 14 . 1 1 72 72 ASP H H 72 8.182 8.182 8.242 -0.060 25927 8333 1 14 . 1 1 73 73 PHE N N 73 122.846 122.846 121.910 0.936 25927 8334 1 14 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.086 0.044 25927 8335 1 14 . 1 1 73 73 PHE C C 73 176.729 176.729 176.789 -0.060 25927 8336 1 14 . 1 1 73 73 PHE CA C 73 63.022 63.022 61.848 1.174 25927 8337 1 14 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.157 1.047 25927 8338 1 14 . 1 1 73 73 PHE H H 73 8.197 8.197 8.233 -0.036 25927 8339 1 14 . 1 1 74 74 GLU N N 74 118.652 118.652 118.599 0.053 25927 8340 1 14 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.875 -0.031 25927 8341 1 14 . 1 1 74 74 GLU C C 74 179.310 179.310 178.692 0.618 25927 8342 1 14 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.640 1.011 25927 8343 1 14 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.417 -0.768 25927 8344 1 14 . 1 1 74 74 GLU H H 74 9.098 9.098 8.885 0.213 25927 8345 1 14 . 1 1 75 75 LYS N N 75 117.836 117.836 119.511 -1.675 25927 8346 1 14 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.080 -0.001 25927 8347 1 14 . 1 1 75 75 LYS C C 75 179.312 179.312 179.327 -0.015 25927 8348 1 14 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.398 -0.118 25927 8349 1 14 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.190 0.153 25927 8350 1 14 . 1 1 75 75 LYS H H 75 8.078 8.078 7.773 0.305 25927 8351 1 14 . 1 1 76 76 THR N N 76 118.581 118.581 117.517 1.064 25927 8352 1 14 . 1 1 76 76 THR HA H 76 4.168 4.168 4.119 0.049 25927 8353 1 14 . 1 1 76 76 THR C C 76 175.873 175.873 176.786 -0.913 25927 8354 1 14 . 1 1 76 76 THR CA C 76 67.009 67.009 66.894 0.115 25927 8355 1 14 . 1 1 76 76 THR CB C 76 68.404 68.404 68.542 -0.138 25927 8356 1 14 . 1 1 76 76 THR H H 76 8.031 8.031 8.376 -0.345 25927 8357 1 14 . 1 1 77 77 VAL N N 77 122.994 122.994 121.667 1.327 25927 8358 1 14 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.499 -0.107 25927 8359 1 14 . 1 1 77 77 VAL C C 77 177.137 177.137 177.556 -0.419 25927 8360 1 14 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.858 0.597 25927 8361 1 14 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.220 0.353 25927 8362 1 14 . 1 1 77 77 VAL H H 77 7.999 7.999 8.114 -0.115 25927 8363 1 14 . 1 1 78 78 VAL N N 78 117.994 117.994 118.951 -0.957 25927 8364 1 14 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.470 0.078 25927 8365 1 14 . 1 1 78 78 VAL C C 78 177.830 177.830 177.517 0.313 25927 8366 1 14 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.445 0.829 25927 8367 1 14 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.276 0.467 25927 8368 1 14 . 1 1 78 78 VAL H H 78 7.745 7.745 7.969 -0.224 25927 8369 1 14 . 1 1 79 79 ALA N N 79 120.460 120.460 121.176 -0.716 25927 8370 1 14 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.033 0.147 25927 8371 1 14 . 1 1 79 79 ALA C C 79 176.512 176.512 179.108 -2.596 25927 8372 1 14 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.909 0.192 25927 8373 1 14 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.075 0.095 25927 8374 1 14 . 1 1 79 79 ALA H H 79 7.844 7.844 8.427 -0.583 25927 8375 1 14 . 1 1 80 80 ALA N N 80 119.351 119.351 120.562 -1.211 25927 8376 1 14 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.681 -0.685 25927 8377 1 14 . 1 1 80 80 ALA C C 80 180.805 180.805 179.416 1.389 25927 8378 1 14 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.867 -0.210 25927 8379 1 14 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.456 0.902 25927 8380 1 14 . 1 1 80 80 ALA H H 80 8.178 8.178 8.048 0.130 25927 8381 1 14 . 1 1 81 81 LEU N N 81 123.041 123.041 119.459 3.582 25927 8382 1 14 . 1 1 81 81 LEU HA H 81 3.864 3.864 3.984 -0.120 25927 8383 1 14 . 1 1 81 81 LEU C C 81 179.526 179.526 179.010 0.516 25927 8384 1 14 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.716 1.169 25927 8385 1 14 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.550 1.001 25927 8386 1 14 . 1 1 81 81 LEU H H 81 8.469 8.469 7.226 1.243 25927 8387 1 14 . 1 1 82 82 ILE N N 82 119.350 119.350 118.643 0.707 25927 8388 1 14 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.523 0.304 25927 8389 1 14 . 1 1 82 82 ILE C C 82 179.375 179.375 178.077 1.298 25927 8390 1 14 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.233 -0.654 25927 8391 1 14 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.521 1.093 25927 8392 1 14 . 1 1 82 82 ILE H H 82 7.988 7.988 7.225 0.763 25927 8393 1 14 . 1 1 83 83 GLN N N 83 118.033 118.033 118.406 -0.373 25927 8394 1 14 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.904 0.289 25927 8395 1 14 . 1 1 83 83 GLN C C 83 179.932 179.932 178.614 1.318 25927 8396 1 14 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.812 0.350 25927 8397 1 14 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.007 0.687 25927 8398 1 14 . 1 1 83 83 GLN H H 83 8.665 8.665 8.209 0.456 25927 8399 1 14 . 1 1 84 84 THR N N 84 118.583 118.583 116.113 2.470 25927 8400 1 14 . 1 1 84 84 THR HA H 84 3.813 3.813 4.068 -0.255 25927 8401 1 14 . 1 1 84 84 THR C C 84 175.824 175.824 176.212 -0.388 25927 8402 1 14 . 1 1 84 84 THR CA C 84 68.515 68.515 67.377 1.138 25927 8403 1 14 . 1 1 84 84 THR CB C 84 67.514 67.514 68.828 -1.314 25927 8404 1 14 . 1 1 84 84 THR H H 84 8.355 8.355 8.155 0.200 25927 8405 1 14 . 1 1 85 85 GLU N N 85 121.547 121.547 120.546 1.001 25927 8406 1 14 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.054 0.119 25927 8407 1 14 . 1 1 85 85 GLU C C 85 178.637 178.637 178.538 0.099 25927 8408 1 14 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.118 1.258 25927 8409 1 14 . 1 1 85 85 GLU CB C 85 29.212 29.212 29.003 0.209 25927 8410 1 14 . 1 1 85 85 GLU H H 85 7.846 7.846 7.699 0.147 25927 8411 1 14 . 1 1 86 86 GLU N N 86 118.203 118.203 119.488 -1.285 25927 8412 1 14 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.012 0.092 25927 8413 1 14 . 1 1 86 86 GLU C C 86 179.080 179.080 178.843 0.237 25927 8414 1 14 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.105 0.579 25927 8415 1 14 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.117 0.441 25927 8416 1 14 . 1 1 86 86 GLU H H 86 8.154 8.154 8.517 -0.363 25927 8417 1 14 . 1 1 87 87 ALA N N 87 121.242 121.242 121.200 0.042 25927 8418 1 14 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.155 0.021 25927 8419 1 14 . 1 1 87 87 ALA C C 87 181.299 181.299 179.257 2.042 25927 8420 1 14 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.723 0.493 25927 8421 1 14 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.655 0.578 25927 8422 1 14 . 1 1 87 87 ALA H H 87 8.181 8.181 7.465 0.716 25927 8423 1 14 . 1 1 88 88 LEU N N 88 119.086 119.086 117.650 1.436 25927 8424 1 14 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.114 -0.117 25927 8425 1 14 . 1 1 88 88 LEU C C 88 179.526 179.526 178.163 1.363 25927 8426 1 14 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.002 1.546 25927 8427 1 14 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.513 -0.269 25927 8428 1 14 . 1 1 88 88 LEU H H 88 8.379 8.379 7.439 0.940 25927 8429 1 14 . 1 1 89 89 ASN N N 89 119.429 119.429 118.718 0.711 25927 8430 1 14 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.471 0.096 25927 8431 1 14 . 1 1 89 89 ASN C C 89 177.117 177.117 177.126 -0.009 25927 8432 1 14 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.882 -0.878 25927 8433 1 14 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.532 -0.183 25927 8434 1 14 . 1 1 89 89 ASN H H 89 8.271 8.271 8.621 -0.350 25927 8435 1 14 . 1 1 90 90 ARG N N 90 118.735 118.735 116.745 1.990 25927 8436 1 14 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.431 -0.278 25927 8437 1 14 . 1 1 90 90 ARG C C 90 177.836 177.836 177.173 0.663 25927 8438 1 14 . 1 1 90 90 ARG CA C 90 58.574 58.574 55.894 2.680 25927 8439 1 14 . 1 1 90 90 ARG CB C 90 30.230 30.230 29.735 0.495 25927 8440 1 14 . 1 1 90 90 ARG H H 90 8.010 8.010 7.879 0.131 25927 8441 1 14 . 1 1 91 91 ARG N N 91 118.976 118.976 119.396 -0.420 25927 8442 1 14 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.258 -0.049 25927 8443 1 14 . 1 1 91 91 ARG C C 91 177.455 177.455 177.858 -0.403 25927 8444 1 14 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.379 -0.353 25927 8445 1 14 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.176 -0.389 25927 8446 1 14 . 1 1 91 91 ARG H H 91 7.833 7.833 7.650 0.183 25927 8447 1 14 . 1 1 92 92 GLN N N 92 118.834 118.834 114.034 4.800 25927 8448 1 14 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.524 -0.267 25927 8449 1 14 . 1 1 92 92 GLN C C 92 177.362 177.362 177.546 -0.184 25927 8450 1 14 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.928 0.559 25927 8451 1 14 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.730 -1.598 25927 8452 1 14 . 1 1 92 92 GLN H H 92 7.988 7.988 8.180 -0.192 25927 8453 1 14 . 1 1 93 93 ILE N N 93 120.499 120.499 122.390 -1.891 25927 8454 1 14 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.820 0.196 25927 8455 1 14 . 1 1 93 93 ILE C C 93 177.002 177.002 176.818 0.184 25927 8456 1 14 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.793 -1.932 25927 8457 1 14 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.357 1.211 25927 8458 1 14 . 1 1 93 93 ILE H H 93 7.976 7.976 7.802 0.174 25927 8459 1 14 . 1 1 94 94 ASN N N 94 120.172 120.172 119.533 0.639 25927 8460 1 14 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.316 0.323 25927 8461 1 14 . 1 1 94 94 ASN C C 94 176.336 176.336 177.475 -1.139 25927 8462 1 14 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.200 -1.883 25927 8463 1 14 . 1 1 94 94 ASN CB C 94 38.600 38.600 37.258 1.342 25927 8464 1 14 . 1 1 94 94 ASN H H 94 8.272 8.272 8.069 0.203 25927 8465 1 14 . 1 1 95 95 GLN N N 95 120.288 120.288 119.998 0.290 25927 8466 1 14 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.026 0.154 25927 8467 1 14 . 1 1 95 95 GLN C C 95 176.701 176.701 178.296 -1.595 25927 8468 1 14 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.766 -1.587 25927 8469 1 14 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.472 0.524 25927 8470 1 14 . 1 1 95 95 GLN H H 95 8.303 8.303 8.081 0.222 25927 8471 1 14 . 1 1 96 96 ALA N N 96 123.219 123.219 122.557 0.662 25927 8472 1 14 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.199 0.062 25927 8473 1 14 . 1 1 96 96 ALA C C 96 178.429 178.429 179.593 -1.164 25927 8474 1 14 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.882 -1.450 25927 8475 1 14 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.296 0.477 25927 8476 1 14 . 1 1 96 96 ALA H H 96 8.112 8.112 7.508 0.604 25927 8477 1 14 . 1 1 97 97 LEU N N 97 119.452 119.452 117.874 1.578 25927 8478 1 14 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.348 -0.047 25927 8479 1 14 . 1 1 97 97 LEU C C 97 177.834 177.834 179.124 -1.290 25927 8480 1 14 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.578 -1.832 25927 8481 1 14 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.243 1.046 25927 8482 1 14 . 1 1 97 97 LEU H H 97 7.932 7.932 8.402 -0.470 25927 8483 1 14 . 1 1 98 98 LEU N N 98 121.124 121.124 120.492 0.632 25927 8484 1 14 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.037 0.340 25927 8485 1 14 . 1 1 98 98 LEU C C 98 177.729 177.729 178.444 -0.715 25927 8486 1 14 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.578 -2.151 25927 8487 1 14 . 1 1 98 98 LEU CB C 98 42.406 42.406 41.658 0.748 25927 8488 1 14 . 1 1 98 98 LEU H H 98 7.947 7.947 7.958 -0.011 25927 8489 1 14 . 1 1 99 99 SER N N 99 115.913 115.913 112.341 3.572 25927 8490 1 14 . 1 1 99 99 SER HA H 99 4.525 4.525 4.252 0.273 25927 8491 1 14 . 1 1 99 99 SER C C 99 174.980 174.980 176.533 -1.553 25927 8492 1 14 . 1 1 99 99 SER CA C 99 58.478 58.478 60.769 -2.291 25927 8493 1 14 . 1 1 99 99 SER CB C 99 63.839 63.839 63.408 0.430 25927 8494 1 14 . 1 1 99 99 SER H H 99 8.238 8.238 7.932 0.306 25927 8495 1 14 . 1 1 100 100 THR N N 100 114.610 114.610 112.267 2.343 25927 8496 1 14 . 1 1 100 100 THR HA H 100 4.361 4.361 4.346 0.015 25927 8497 1 14 . 1 1 100 100 THR C C 100 175.368 175.368 176.086 -0.718 25927 8498 1 14 . 1 1 100 100 THR CA C 100 62.195 62.195 62.576 -0.381 25927 8499 1 14 . 1 1 100 100 THR CB C 100 69.794 69.794 69.614 0.180 25927 8500 1 14 . 1 1 100 100 THR H H 100 8.140 8.140 7.899 0.241 25927 8501 1 14 . 1 1 101 101 GLY N N 101 110.650 110.650 111.120 -0.470 25927 8502 1 14 . 1 1 101 101 GLY C C 101 173.935 173.935 174.495 -0.560 25927 8503 1 14 . 1 1 101 101 GLY CA C 101 45.493 45.493 45.400 0.093 25927 8504 1 14 . 1 1 101 101 GLY H H 101 8.353 8.353 7.948 0.405 25927 8505 1 14 . 1 1 102 102 ASP N N 102 120.512 120.512 120.089 0.423 25927 8506 1 14 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.662 -0.059 25927 8507 1 14 . 1 1 102 102 ASP C C 102 176.419 176.419 176.827 -0.408 25927 8508 1 14 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.501 -0.210 25927 8509 1 14 . 1 1 102 102 ASP CB C 102 41.277 41.277 41.821 -0.544 25927 8510 1 14 . 1 1 102 102 ASP H H 102 8.204 8.204 7.859 0.345 25927 8511 1 14 . 1 1 103 103 LEU N N 103 122.331 122.331 121.518 0.813 25927 8512 1 14 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.098 0.160 25927 8513 1 14 . 1 1 103 103 LEU C C 103 177.394 177.394 175.879 1.515 25927 8514 1 14 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.692 -0.164 25927 8515 1 14 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.163 0.065 25927 8516 1 14 . 1 1 103 103 LEU H H 103 8.170 8.170 8.151 0.019 25927 8517 1 14 . 1 1 104 104 ALA N N 104 123.139 123.139 127.817 -4.678 25927 8518 1 14 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.365 -0.165 25927 8519 1 14 . 1 1 104 104 ALA C C 104 177.730 177.730 175.869 1.861 25927 8520 1 14 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.574 1.200 25927 8521 1 14 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.059 -0.055 25927 8522 1 14 . 1 1 104 104 ALA H H 104 8.150 8.150 8.008 0.142 25927 8523 1 14 . 1 1 105 105 HIS N N 105 117.105 117.105 119.808 -2.703 25927 8524 1 14 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.712 -0.071 25927 8525 1 14 . 1 1 105 105 HIS C C 105 174.414 174.414 174.818 -0.404 25927 8526 1 14 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.337 -1.817 25927 8527 1 14 . 1 1 105 105 HIS CB C 105 29.278 29.278 31.392 -2.114 25927 8528 1 14 . 1 1 105 105 HIS H H 105 8.239 8.239 8.718 -0.479 25927 8529 1 14 . 1 1 106 106 ASP N N 106 121.315 121.315 119.031 2.284 25927 8530 1 14 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.704 -0.101 25927 8531 1 14 . 1 1 106 106 ASP C C 106 176.370 176.370 176.421 -0.051 25927 8532 1 14 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.133 0.186 25927 8533 1 14 . 1 1 106 106 ASP CB C 106 41.414 41.414 41.056 0.358 25927 8534 1 14 . 1 1 106 106 ASP H H 106 8.298 8.298 8.163 0.135 25927 8535 1 14 . 1 1 107 107 GLU N N 107 121.228 121.228 119.275 1.953 25927 8536 1 14 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.193 -0.085 25927 8537 1 14 . 1 1 107 107 GLU C C 107 176.248 176.248 175.935 0.313 25927 8538 1 14 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.330 -0.138 25927 8539 1 14 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.166 -0.071 25927 8540 1 14 . 1 1 107 107 GLU H H 107 8.536 8.536 8.569 -0.033 25927 8541 1 15 . 1 1 2 2 VAL N N 2 119.413 119.413 117.494 1.919 25927 8542 1 15 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.503 -0.371 25927 8543 1 15 . 1 1 2 2 VAL C C 2 175.957 175.957 176.077 -0.120 25927 8544 1 15 . 1 1 2 2 VAL CA C 2 62.517 62.517 63.076 -0.559 25927 8545 1 15 . 1 1 2 2 VAL CB C 2 32.676 32.676 32.540 0.136 25927 8546 1 15 . 1 1 2 2 VAL H H 2 8.453 8.453 8.609 -0.156 25927 8547 1 15 . 1 1 3 3 GLU N N 3 125.255 125.255 119.727 5.528 25927 8548 1 15 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.650 -0.302 25927 8549 1 15 . 1 1 3 3 GLU C C 3 176.154 176.154 174.956 1.198 25927 8550 1 15 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.376 1.093 25927 8551 1 15 . 1 1 3 3 GLU CB C 3 30.382 30.382 32.481 -2.099 25927 8552 1 15 . 1 1 3 3 GLU H H 3 8.587 8.587 8.084 0.503 25927 8553 1 15 . 1 1 4 4 VAL N N 4 121.132 121.132 123.648 -2.516 25927 8554 1 15 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.184 -0.063 25927 8555 1 15 . 1 1 4 4 VAL C C 4 175.762 175.762 174.620 1.142 25927 8556 1 15 . 1 1 4 4 VAL CA C 4 62.028 62.028 62.521 -0.493 25927 8557 1 15 . 1 1 4 4 VAL CB C 4 33.056 33.056 31.988 1.068 25927 8558 1 15 . 1 1 4 4 VAL H H 4 8.172 8.172 8.390 -0.218 25927 8559 1 15 . 1 1 5 5 GLU N N 5 125.223 125.223 115.519 9.704 25927 8560 1 15 . 1 1 5 5 GLU HA H 5 4.324 4.324 3.937 0.387 25927 8561 1 15 . 1 1 5 5 GLU C C 5 176.006 176.006 175.747 0.259 25927 8562 1 15 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.759 -0.370 25927 8563 1 15 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.126 2.293 25927 8564 1 15 . 1 1 5 5 GLU H H 5 8.472 8.472 8.156 0.316 25927 8565 1 15 . 1 1 6 6 VAL N N 6 123.435 123.435 117.717 5.718 25927 8566 1 15 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.964 0.472 25927 8567 1 15 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.239 -4.492 25927 8568 1 15 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.877 1.861 25927 8569 1 15 . 1 1 6 6 VAL H H 6 8.288 8.288 8.032 0.256 25927 8570 1 15 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.582 -0.146 25927 8571 1 15 . 1 1 7 7 PRO C C 7 177.461 177.461 176.545 0.916 25927 8572 1 15 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.369 0.976 25927 8573 1 15 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.797 -0.493 25927 8574 1 15 . 1 1 8 8 GLY N N 8 108.925 108.925 106.378 2.547 25927 8575 1 15 . 1 1 8 8 GLY C C 8 173.995 173.995 173.268 0.727 25927 8576 1 15 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.920 0.506 25927 8577 1 15 . 1 1 8 8 GLY H H 8 8.334 8.334 8.204 0.130 25927 8578 1 15 . 1 1 9 9 LEU N N 9 121.559 121.559 120.949 0.610 25927 8579 1 15 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.749 -0.290 25927 8580 1 15 . 1 1 9 9 LEU C C 9 176.870 176.870 175.758 1.112 25927 8581 1 15 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.395 1.226 25927 8582 1 15 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.243 0.805 25927 8583 1 15 . 1 1 9 9 LEU H H 9 8.150 8.150 8.484 -0.334 25927 8584 1 15 . 1 1 10 10 LEU N N 10 122.690 122.690 122.521 0.169 25927 8585 1 15 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.405 0.756 25927 8586 1 15 . 1 1 10 10 LEU C C 10 177.427 177.427 177.129 0.298 25927 8587 1 15 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.756 -1.894 25927 8588 1 15 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.855 1.793 25927 8589 1 15 . 1 1 10 10 LEU H H 10 8.348 8.348 7.735 0.613 25927 8590 1 15 . 1 1 11 11 THR N N 11 124.118 124.118 119.052 5.066 25927 8591 1 15 . 1 1 11 11 THR HA H 11 4.295 4.295 4.427 -0.132 25927 8592 1 15 . 1 1 11 11 THR C C 11 172.853 172.853 173.897 -1.044 25927 8593 1 15 . 1 1 11 11 THR CA C 11 63.577 63.577 60.905 2.672 25927 8594 1 15 . 1 1 11 11 THR CB C 11 69.325 69.325 71.432 -2.107 25927 8595 1 15 . 1 1 11 11 THR H H 11 9.186 9.186 8.015 1.171 25927 8596 1 15 . 1 1 12 12 ASP N N 12 127.226 127.226 125.447 1.779 25927 8597 1 15 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.788 0.509 25927 8598 1 15 . 1 1 12 12 ASP C C 12 176.060 176.060 175.848 0.212 25927 8599 1 15 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.535 0.244 25927 8600 1 15 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.982 1.062 25927 8601 1 15 . 1 1 12 12 ASP H H 12 8.880 8.880 8.399 0.481 25927 8602 1 15 . 1 1 13 13 HIS N N 13 127.146 127.146 122.000 5.146 25927 8603 1 15 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.491 0.817 25927 8604 1 15 . 1 1 13 13 HIS C C 13 175.365 175.365 173.869 1.496 25927 8605 1 15 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.524 -2.366 25927 8606 1 15 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.784 1.170 25927 8607 1 15 . 1 1 13 13 HIS H H 13 8.867 8.867 7.915 0.952 25927 8608 1 15 . 1 1 14 14 THR N N 14 112.885 112.885 110.156 2.729 25927 8609 1 15 . 1 1 14 14 THR HA H 14 4.522 4.522 4.645 -0.123 25927 8610 1 15 . 1 1 14 14 THR C C 14 174.626 174.626 174.355 0.271 25927 8611 1 15 . 1 1 14 14 THR CA C 14 63.245 63.245 60.668 2.577 25927 8612 1 15 . 1 1 14 14 THR CB C 14 70.178 70.178 70.978 -0.800 25927 8613 1 15 . 1 1 14 14 THR H H 14 8.583 8.583 7.727 0.856 25927 8614 1 15 . 1 1 15 15 VAL N N 15 113.207 113.207 119.908 -6.701 25927 8615 1 15 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.537 0.108 25927 8616 1 15 . 1 1 15 15 VAL C C 15 175.216 175.216 174.587 0.629 25927 8617 1 15 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.472 0.791 25927 8618 1 15 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.577 2.803 25927 8619 1 15 . 1 1 15 15 VAL H H 15 9.104 9.104 8.695 0.409 25927 8620 1 15 . 1 1 16 16 SER N N 16 122.970 122.970 116.076 6.894 25927 8621 1 15 . 1 1 16 16 SER HA H 16 4.196 4.196 4.875 -0.679 25927 8622 1 15 . 1 1 16 16 SER C C 16 174.515 174.515 176.007 -1.492 25927 8623 1 15 . 1 1 16 16 SER CA C 16 57.126 57.126 55.633 1.493 25927 8624 1 15 . 1 1 16 16 SER CB C 16 67.073 67.073 64.965 2.108 25927 8625 1 15 . 1 1 16 16 SER H H 16 9.340 9.340 7.611 1.729 25927 8626 1 15 . 1 1 17 17 SER N N 17 116.643 116.643 122.203 -5.560 25927 8627 1 15 . 1 1 17 17 SER HA H 17 4.157 4.157 4.337 -0.180 25927 8628 1 15 . 1 1 17 17 SER C C 17 176.576 176.576 175.813 0.763 25927 8629 1 15 . 1 1 17 17 SER CA C 17 62.451 62.451 61.056 1.395 25927 8630 1 15 . 1 1 17 17 SER CB C 17 62.539 62.539 62.991 -0.452 25927 8631 1 15 . 1 1 17 17 SER H H 17 8.926 8.926 8.861 0.065 25927 8632 1 15 . 1 1 18 18 ILE N N 18 120.198 120.198 115.422 4.776 25927 8633 1 15 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.441 -0.370 25927 8634 1 15 . 1 1 18 18 ILE C C 18 177.925 177.925 177.733 0.192 25927 8635 1 15 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.349 2.033 25927 8636 1 15 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.132 -0.552 25927 8637 1 15 . 1 1 18 18 ILE H H 18 7.848 7.848 7.495 0.353 25927 8638 1 15 . 1 1 19 19 GLY N N 19 111.905 111.905 108.668 3.237 25927 8639 1 15 . 1 1 19 19 GLY C C 19 176.153 176.153 176.147 0.006 25927 8640 1 15 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.236 -0.397 25927 8641 1 15 . 1 1 19 19 GLY H H 19 7.921 7.921 8.223 -0.302 25927 8642 1 15 . 1 1 20 20 HIS N N 20 120.808 120.808 121.211 -0.403 25927 8643 1 15 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.553 0.209 25927 8644 1 15 . 1 1 20 20 HIS C C 20 178.606 178.606 177.063 1.543 25927 8645 1 15 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.344 -1.486 25927 8646 1 15 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.183 -2.468 25927 8647 1 15 . 1 1 20 20 HIS H H 20 8.842 8.842 8.492 0.350 25927 8648 1 15 . 1 1 21 21 ASP N N 21 121.572 121.572 119.583 1.989 25927 8649 1 15 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.457 0.077 25927 8650 1 15 . 1 1 21 21 ASP C C 21 179.630 179.630 178.623 1.007 25927 8651 1 15 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.100 0.405 25927 8652 1 15 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.269 -0.504 25927 8653 1 15 . 1 1 21 21 ASP H H 21 8.592 8.592 7.740 0.852 25927 8654 1 15 . 1 1 22 22 PHE N N 22 123.889 123.889 122.611 1.278 25927 8655 1 15 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.137 -0.042 25927 8656 1 15 . 1 1 22 22 PHE C C 22 175.647 175.647 176.675 -1.028 25927 8657 1 15 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.105 0.823 25927 8658 1 15 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.259 -0.112 25927 8659 1 15 . 1 1 22 22 PHE H H 22 8.790 8.790 9.014 -0.224 25927 8660 1 15 . 1 1 23 23 TYR N N 23 119.855 119.855 120.134 -0.279 25927 8661 1 15 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.966 -0.185 25927 8662 1 15 . 1 1 23 23 TYR C C 23 177.585 177.585 177.334 0.251 25927 8663 1 15 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.953 0.020 25927 8664 1 15 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.493 -0.114 25927 8665 1 15 . 1 1 23 23 TYR H H 23 9.008 9.008 7.938 1.070 25927 8666 1 15 . 1 1 24 24 ARG N N 24 120.673 120.673 118.385 2.288 25927 8667 1 15 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.824 -0.106 25927 8668 1 15 . 1 1 24 24 ARG C C 24 177.149 177.149 178.711 -1.562 25927 8669 1 15 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.166 0.194 25927 8670 1 15 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.257 0.177 25927 8671 1 15 . 1 1 24 24 ARG H H 24 8.576 8.576 7.601 0.975 25927 8672 1 15 . 1 1 25 25 ALA N N 25 120.718 120.718 122.755 -2.037 25927 8673 1 15 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.102 0.009 25927 8674 1 15 . 1 1 25 25 ALA C C 25 179.502 179.502 179.153 0.349 25927 8675 1 15 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.811 -0.001 25927 8676 1 15 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.579 0.811 25927 8677 1 15 . 1 1 25 25 ALA H H 25 8.080 8.080 8.439 -0.359 25927 8678 1 15 . 1 1 26 26 PHE N N 26 118.193 118.193 119.283 -1.090 25927 8679 1 15 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.870 -0.372 25927 8680 1 15 . 1 1 26 26 PHE C C 26 177.120 177.120 176.817 0.303 25927 8681 1 15 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.590 0.707 25927 8682 1 15 . 1 1 26 26 PHE CB C 26 39.907 39.907 38.992 0.915 25927 8683 1 15 . 1 1 26 26 PHE H H 26 8.467 8.467 8.212 0.255 25927 8684 1 15 . 1 1 27 27 SER N N 27 112.572 112.572 113.934 -1.362 25927 8685 1 15 . 1 1 27 27 SER HA H 27 3.845 3.845 4.239 -0.394 25927 8686 1 15 . 1 1 27 27 SER C C 27 176.828 176.828 176.492 0.336 25927 8687 1 15 . 1 1 27 27 SER CA C 27 61.656 61.656 61.029 0.627 25927 8688 1 15 . 1 1 27 27 SER CB C 27 62.952 62.952 62.863 0.089 25927 8689 1 15 . 1 1 27 27 SER H H 27 8.477 8.477 7.994 0.483 25927 8690 1 15 . 1 1 28 28 ASP N N 28 119.022 119.022 121.525 -2.503 25927 8691 1 15 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.493 -0.069 25927 8692 1 15 . 1 1 28 28 ASP C C 28 177.325 177.325 177.341 -0.016 25927 8693 1 15 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.386 0.271 25927 8694 1 15 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.934 0.340 25927 8695 1 15 . 1 1 28 28 ASP H H 28 8.019 8.019 8.067 -0.048 25927 8696 1 15 . 1 1 29 29 LYS N N 29 115.330 115.330 115.661 -0.331 25927 8697 1 15 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.372 -0.013 25927 8698 1 15 . 1 1 29 29 LYS C C 29 175.910 175.910 176.335 -0.425 25927 8699 1 15 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.295 -0.131 25927 8700 1 15 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.663 2.647 25927 8701 1 15 . 1 1 29 29 LYS H H 29 6.910 6.910 7.531 -0.621 25927 8702 1 15 . 1 1 30 30 TRP N N 30 122.847 122.847 123.597 -0.750 25927 8703 1 15 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.098 0.079 25927 8704 1 15 . 1 1 30 30 TRP C C 30 175.188 175.188 175.077 0.111 25927 8705 1 15 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.775 -0.734 25927 8706 1 15 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.619 0.301 25927 8707 1 15 . 1 1 30 30 TRP H H 30 7.638 7.638 7.566 0.072 25927 8708 1 15 . 1 1 31 31 GLU N N 31 128.182 128.182 125.510 2.672 25927 8709 1 15 . 1 1 31 31 GLU HA H 31 4.159 4.159 3.970 0.189 25927 8710 1 15 . 1 1 31 31 GLU C C 31 173.960 173.960 173.445 0.515 25927 8711 1 15 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.541 -0.427 25927 8712 1 15 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.271 -0.188 25927 8713 1 15 . 1 1 31 31 GLU H H 31 7.426 7.426 7.249 0.177 25927 8714 1 15 . 1 1 32 32 SER N N 32 115.672 115.672 117.069 -1.397 25927 8715 1 15 . 1 1 32 32 SER HA H 32 4.100 4.100 4.627 -0.527 25927 8716 1 15 . 1 1 32 32 SER C C 32 173.864 173.864 173.476 0.388 25927 8717 1 15 . 1 1 32 32 SER CA C 32 57.344 57.344 57.633 -0.289 25927 8718 1 15 . 1 1 32 32 SER CB C 32 64.220 64.220 65.241 -1.021 25927 8719 1 15 . 1 1 32 32 SER H H 32 7.276 7.276 7.976 -0.700 25927 8720 1 15 . 1 1 33 33 ASP N N 33 123.759 123.759 121.774 1.985 25927 8721 1 15 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.660 -0.037 25927 8722 1 15 . 1 1 33 33 ASP C C 33 176.175 176.175 176.447 -0.272 25927 8723 1 15 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.748 -0.619 25927 8724 1 15 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.218 -0.608 25927 8725 1 15 . 1 1 33 33 ASP H H 33 8.429 8.429 8.662 -0.233 25927 8726 1 15 . 1 1 34 34 TYR N N 34 122.283 122.283 119.087 3.196 25927 8727 1 15 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.552 0.022 25927 8728 1 15 . 1 1 34 34 TYR C C 34 177.025 177.025 176.370 0.655 25927 8729 1 15 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.161 1.656 25927 8730 1 15 . 1 1 34 34 TYR CB C 34 39.134 39.134 38.829 0.305 25927 8731 1 15 . 1 1 34 34 TYR H H 34 8.649 8.649 7.704 0.945 25927 8732 1 15 . 1 1 35 35 THR N N 35 116.852 116.852 112.865 3.987 25927 8733 1 15 . 1 1 35 35 THR HA H 35 4.311 4.311 4.085 0.226 25927 8734 1 15 . 1 1 35 35 THR C C 35 174.704 174.704 174.481 0.223 25927 8735 1 15 . 1 1 35 35 THR CA C 35 61.364 61.364 62.868 -1.504 25927 8736 1 15 . 1 1 35 35 THR CB C 35 69.454 69.454 68.847 0.607 25927 8737 1 15 . 1 1 35 35 THR H H 35 8.067 8.067 8.430 -0.363 25927 8738 1 15 . 1 1 36 36 GLY N N 36 107.698 107.698 107.360 0.338 25927 8739 1 15 . 1 1 36 36 GLY C C 36 171.455 171.455 174.236 -2.781 25927 8740 1 15 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.079 -0.561 25927 8741 1 15 . 1 1 36 36 GLY H H 36 5.732 5.732 6.554 -0.822 25927 8742 1 15 . 1 1 37 37 ASN N N 37 117.424 117.424 118.964 -1.540 25927 8743 1 15 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.715 0.270 25927 8744 1 15 . 1 1 37 37 ASN C C 37 175.393 175.393 173.683 1.710 25927 8745 1 15 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.310 0.523 25927 8746 1 15 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.220 3.293 25927 8747 1 15 . 1 1 37 37 ASN H H 37 8.346 8.346 8.525 -0.179 25927 8748 1 15 . 1 1 38 38 LEU N N 38 126.809 126.809 118.488 8.321 25927 8749 1 15 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.632 -0.634 25927 8750 1 15 . 1 1 38 38 LEU C C 38 175.770 175.770 175.343 0.427 25927 8751 1 15 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.852 2.162 25927 8752 1 15 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.567 -0.501 25927 8753 1 15 . 1 1 38 38 LEU H H 38 8.469 8.469 7.800 0.669 25927 8754 1 15 . 1 1 39 39 THR N N 39 119.369 119.369 114.190 5.179 25927 8755 1 15 . 1 1 39 39 THR HA H 39 4.799 4.799 4.921 -0.122 25927 8756 1 15 . 1 1 39 39 THR C C 39 172.224 172.224 172.688 -0.464 25927 8757 1 15 . 1 1 39 39 THR CA C 39 61.958 61.958 60.542 1.416 25927 8758 1 15 . 1 1 39 39 THR CB C 39 70.327 70.327 72.133 -1.806 25927 8759 1 15 . 1 1 39 39 THR H H 39 8.849 8.849 8.921 -0.072 25927 8760 1 15 . 1 1 40 40 ILE N N 40 125.490 125.490 123.751 1.739 25927 8761 1 15 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.371 0.149 25927 8762 1 15 . 1 1 40 40 ILE C C 40 173.125 173.125 173.724 -0.599 25927 8763 1 15 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.358 0.823 25927 8764 1 15 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.237 -2.788 25927 8765 1 15 . 1 1 40 40 ILE H H 40 8.562 8.562 7.938 0.624 25927 8766 1 15 . 1 1 41 41 ASN N N 41 124.656 124.656 124.053 0.603 25927 8767 1 15 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.702 -0.802 25927 8768 1 15 . 1 1 41 41 ASN C C 41 173.445 173.445 174.018 -0.573 25927 8769 1 15 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.593 0.486 25927 8770 1 15 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.406 -0.290 25927 8771 1 15 . 1 1 41 41 ASN H H 41 9.173 9.173 8.801 0.372 25927 8772 1 15 . 1 1 42 42 GLU N N 42 120.095 120.095 121.918 -1.823 25927 8773 1 15 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.306 0.079 25927 8774 1 15 . 1 1 42 42 GLU C C 42 173.971 173.971 175.219 -1.248 25927 8775 1 15 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.565 -0.435 25927 8776 1 15 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.636 1.821 25927 8777 1 15 . 1 1 42 42 GLU H H 42 7.741 7.741 8.223 -0.482 25927 8778 1 15 . 1 1 43 43 ARG N N 43 127.178 127.178 121.455 5.723 25927 8779 1 15 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.846 0.187 25927 8780 1 15 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.530 0.165 25927 8781 1 15 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.738 -0.250 25927 8782 1 15 . 1 1 43 43 ARG H H 43 9.039 9.039 8.674 0.365 25927 8783 1 15 . 1 1 44 44 PRO HA H 44 4.727 4.727 5.028 -0.301 25927 8784 1 15 . 1 1 44 44 PRO C C 44 176.335 176.335 176.101 0.234 25927 8785 1 15 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.221 1.121 25927 8786 1 15 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.300 0.374 25927 8787 1 15 . 1 1 45 45 SER N N 45 117.089 117.089 119.178 -2.089 25927 8788 1 15 . 1 1 45 45 SER HA H 45 4.837 4.837 4.700 0.137 25927 8789 1 15 . 1 1 45 45 SER C C 45 174.334 174.334 174.905 -0.571 25927 8790 1 15 . 1 1 45 45 SER CA C 45 56.688 56.688 57.648 -0.960 25927 8791 1 15 . 1 1 45 45 SER CB C 45 64.628 64.628 65.205 -0.577 25927 8792 1 15 . 1 1 45 45 SER H H 45 8.497 8.497 9.000 -0.503 25927 8793 1 15 . 1 1 46 46 ALA N N 46 126.901 126.901 130.397 -3.496 25927 8794 1 15 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.295 -0.073 25927 8795 1 15 . 1 1 46 46 ALA C C 46 178.171 178.171 178.539 -0.368 25927 8796 1 15 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.038 0.050 25927 8797 1 15 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.588 0.004 25927 8798 1 15 . 1 1 46 46 ALA H H 46 8.780 8.780 8.842 -0.062 25927 8799 1 15 . 1 1 47 47 ARG N N 47 117.860 117.860 117.439 0.421 25927 8800 1 15 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.116 0.294 25927 8801 1 15 . 1 1 47 47 ARG C C 47 175.674 175.674 176.942 -1.268 25927 8802 1 15 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.361 -2.109 25927 8803 1 15 . 1 1 47 47 ARG CB C 47 30.586 30.586 30.381 0.205 25927 8804 1 15 . 1 1 47 47 ARG H H 47 8.381 8.381 7.849 0.532 25927 8805 1 15 . 1 1 48 48 ALA N N 48 121.099 121.099 117.387 3.712 25927 8806 1 15 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.551 -0.132 25927 8807 1 15 . 1 1 48 48 ALA C C 48 176.874 176.874 175.857 1.017 25927 8808 1 15 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.167 1.101 25927 8809 1 15 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.193 -1.412 25927 8810 1 15 . 1 1 48 48 ALA H H 48 8.012 8.012 7.852 0.160 25927 8811 1 15 . 1 1 49 49 GLY N N 49 106.126 106.126 107.355 -1.229 25927 8812 1 15 . 1 1 49 49 GLY C C 49 172.803 172.803 172.080 0.723 25927 8813 1 15 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.932 -1.442 25927 8814 1 15 . 1 1 49 49 GLY H H 49 7.946 7.946 8.525 -0.579 25927 8815 1 15 . 1 1 50 50 SER N N 50 113.972 113.972 116.314 -2.342 25927 8816 1 15 . 1 1 50 50 SER HA H 50 4.736 4.736 5.122 -0.386 25927 8817 1 15 . 1 1 50 50 SER C C 50 171.367 171.367 172.664 -1.297 25927 8818 1 15 . 1 1 50 50 SER CA C 50 57.165 57.165 56.207 0.958 25927 8819 1 15 . 1 1 50 50 SER CB C 50 66.797 66.797 66.215 0.582 25927 8820 1 15 . 1 1 50 50 SER H H 50 7.631 7.631 8.197 -0.566 25927 8821 1 15 . 1 1 51 51 TRP N N 51 121.787 121.787 123.677 -1.890 25927 8822 1 15 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.099 0.757 25927 8823 1 15 . 1 1 51 51 TRP C C 51 176.055 176.055 175.900 0.155 25927 8824 1 15 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.431 -0.638 25927 8825 1 15 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.384 0.150 25927 8826 1 15 . 1 1 51 51 TRP H H 51 8.588 8.588 8.487 0.101 25927 8827 1 15 . 1 1 52 52 ILE N N 52 126.898 126.898 124.565 2.333 25927 8828 1 15 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.813 0.258 25927 8829 1 15 . 1 1 52 52 ILE C C 52 175.754 175.754 175.096 0.658 25927 8830 1 15 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.561 -1.828 25927 8831 1 15 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.312 0.043 25927 8832 1 15 . 1 1 52 52 ILE H H 52 8.963 8.963 9.099 -0.136 25927 8833 1 15 . 1 1 53 53 THR N N 53 116.271 116.271 123.707 -7.436 25927 8834 1 15 . 1 1 53 53 THR HA H 53 5.095 5.095 4.785 0.310 25927 8835 1 15 . 1 1 53 53 THR C C 53 173.382 173.382 172.855 0.527 25927 8836 1 15 . 1 1 53 53 THR CA C 53 59.290 59.290 61.758 -2.468 25927 8837 1 15 . 1 1 53 53 THR CB C 53 71.819 71.819 70.845 0.974 25927 8838 1 15 . 1 1 53 53 THR H H 53 8.371 8.371 9.152 -0.781 25927 8839 1 15 . 1 1 54 54 ILE N N 54 124.947 124.947 129.761 -4.814 25927 8840 1 15 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.070 0.113 25927 8841 1 15 . 1 1 54 54 ILE C C 54 175.952 175.952 173.903 2.049 25927 8842 1 15 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.364 2.229 25927 8843 1 15 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.758 -2.141 25927 8844 1 15 . 1 1 54 54 ILE H H 54 9.056 9.056 9.027 0.029 25927 8845 1 15 . 1 1 55 55 THR N N 55 118.298 118.298 123.142 -4.844 25927 8846 1 15 . 1 1 55 55 THR HA H 55 5.458 5.458 5.119 0.339 25927 8847 1 15 . 1 1 55 55 THR C C 55 173.980 173.980 173.545 0.435 25927 8848 1 15 . 1 1 55 55 THR CA C 55 58.717 58.717 59.769 -1.052 25927 8849 1 15 . 1 1 55 55 THR CB C 55 71.839 71.839 71.039 0.800 25927 8850 1 15 . 1 1 55 55 THR H H 55 9.250 9.250 8.905 0.345 25927 8851 1 15 . 1 1 56 56 VAL N N 56 120.047 120.047 125.963 -5.916 25927 8852 1 15 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.698 -0.278 25927 8853 1 15 . 1 1 56 56 VAL C C 56 176.226 176.226 176.497 -0.271 25927 8854 1 15 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.673 -0.632 25927 8855 1 15 . 1 1 56 56 VAL CB C 56 33.761 33.761 32.119 1.642 25927 8856 1 15 . 1 1 56 56 VAL H H 56 8.435 8.435 8.809 -0.374 25927 8857 1 15 . 1 1 57 57 ASN N N 57 125.479 125.479 126.861 -1.382 25927 8858 1 15 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.265 -0.070 25927 8859 1 15 . 1 1 57 57 ASN C C 57 175.026 175.026 175.570 -0.544 25927 8860 1 15 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.574 -0.878 25927 8861 1 15 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.349 -0.350 25927 8862 1 15 . 1 1 57 57 ASN H H 57 9.199 9.199 9.387 -0.188 25927 8863 1 15 . 1 1 58 58 GLN N N 58 116.897 116.897 116.307 0.590 25927 8864 1 15 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.487 -0.301 25927 8865 1 15 . 1 1 58 58 GLN C C 58 175.237 175.237 174.797 0.440 25927 8866 1 15 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.494 1.345 25927 8867 1 15 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.051 -2.468 25927 8868 1 15 . 1 1 58 58 GLN H H 58 8.576 8.576 8.247 0.329 25927 8869 1 15 . 1 1 59 59 ASP N N 59 122.465 122.465 122.879 -0.414 25927 8870 1 15 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.895 -0.179 25927 8871 1 15 . 1 1 59 59 ASP C C 59 175.302 175.302 174.502 0.800 25927 8872 1 15 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.740 0.393 25927 8873 1 15 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.084 -2.631 25927 8874 1 15 . 1 1 59 59 ASP H H 59 8.343 8.343 8.265 0.078 25927 8875 1 15 . 1 1 60 60 VAL N N 60 124.577 124.577 123.580 0.997 25927 8876 1 15 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.133 -0.256 25927 8877 1 15 . 1 1 60 60 VAL C C 60 176.802 176.802 175.622 1.180 25927 8878 1 15 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.954 0.827 25927 8879 1 15 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.722 -0.988 25927 8880 1 15 . 1 1 60 60 VAL H H 60 8.754 8.754 8.730 0.024 25927 8881 1 15 . 1 1 61 61 ILE N N 61 123.852 123.852 124.487 -0.635 25927 8882 1 15 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.574 -0.055 25927 8883 1 15 . 1 1 61 61 ILE C C 61 175.073 175.073 175.162 -0.089 25927 8884 1 15 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.208 -0.609 25927 8885 1 15 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.184 -1.214 25927 8886 1 15 . 1 1 61 61 ILE H H 61 8.984 8.984 8.102 0.882 25927 8887 1 15 . 1 1 62 62 PHE N N 62 119.927 119.927 121.062 -1.135 25927 8888 1 15 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.873 -0.227 25927 8889 1 15 . 1 1 62 62 PHE C C 62 171.958 171.958 172.762 -0.804 25927 8890 1 15 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.122 1.249 25927 8891 1 15 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.774 0.036 25927 8892 1 15 . 1 1 62 62 PHE H H 62 7.557 7.557 7.611 -0.054 25927 8893 1 15 . 1 1 63 63 GLN N N 63 125.524 125.524 122.709 2.815 25927 8894 1 15 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.811 0.298 25927 8895 1 15 . 1 1 63 63 GLN C C 63 172.837 172.837 173.564 -0.727 25927 8896 1 15 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.886 -0.124 25927 8897 1 15 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.788 -0.108 25927 8898 1 15 . 1 1 63 63 GLN H H 63 7.389 7.389 7.720 -0.331 25927 8899 1 15 . 1 1 64 64 THR N N 64 115.981 115.981 114.822 1.159 25927 8900 1 15 . 1 1 64 64 THR HA H 64 4.428 4.428 4.525 -0.097 25927 8901 1 15 . 1 1 64 64 THR C C 64 169.980 169.980 172.151 -2.171 25927 8902 1 15 . 1 1 64 64 THR CA C 64 60.555 60.555 61.031 -0.476 25927 8903 1 15 . 1 1 64 64 THR CB C 64 69.083 69.083 71.743 -2.660 25927 8904 1 15 . 1 1 64 64 THR H H 64 8.588 8.588 8.755 -0.167 25927 8905 1 15 . 1 1 65 65 PHE N N 65 125.997 125.997 123.770 2.227 25927 8906 1 15 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.631 -0.217 25927 8907 1 15 . 1 1 65 65 PHE C C 65 173.940 173.940 174.625 -0.685 25927 8908 1 15 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.093 0.157 25927 8909 1 15 . 1 1 65 65 PHE CB C 65 40.713 40.713 39.777 0.936 25927 8910 1 15 . 1 1 65 65 PHE H H 65 8.054 8.054 8.310 -0.256 25927 8911 1 15 . 1 1 66 66 LEU N N 66 127.935 127.935 126.139 1.796 25927 8912 1 15 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.653 -0.201 25927 8913 1 15 . 1 1 66 66 LEU C C 66 174.502 174.502 175.331 -0.829 25927 8914 1 15 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.428 -0.820 25927 8915 1 15 . 1 1 66 66 LEU H H 66 8.383 8.383 8.666 -0.283 25927 8916 1 15 . 1 1 67 67 PHE N N 67 123.162 123.162 119.526 3.636 25927 8917 1 15 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.487 -0.863 25927 8918 1 15 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.856 -1.729 25927 8919 1 15 . 1 1 67 67 PHE H H 67 8.285 8.285 8.863 -0.578 25927 8920 1 15 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.508 -0.061 25927 8921 1 15 . 1 1 68 68 PRO C C 68 175.918 175.918 177.084 -1.166 25927 8922 1 15 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.097 -2.474 25927 8923 1 15 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.310 -0.089 25927 8924 1 15 . 1 1 69 69 LEU N N 69 121.360 121.360 118.437 2.923 25927 8925 1 15 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.379 -0.185 25927 8926 1 15 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.971 -0.720 25927 8927 1 15 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.365 -1.688 25927 8928 1 15 . 1 1 69 69 LEU H H 69 8.300 8.300 8.321 -0.021 25927 8929 1 15 . 1 1 70 70 LYS N N 70 123.012 123.012 118.881 4.131 25927 8930 1 15 . 1 1 70 70 LYS CA C 70 55.700 55.700 56.209 -0.509 25927 8931 1 15 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.062 -3.342 25927 8932 1 15 . 1 1 70 70 LYS H H 70 8.156 8.156 7.980 0.176 25927 8933 1 15 . 1 1 71 71 ARG N N 71 125.250 125.250 120.223 5.027 25927 8934 1 15 . 1 1 71 71 ARG C C 71 179.581 179.581 177.009 2.572 25927 8935 1 15 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.408 0.810 25927 8936 1 15 . 1 1 71 71 ARG H H 71 8.279 8.279 8.768 -0.489 25927 8937 1 15 . 1 1 72 72 ASP N N 72 119.355 119.355 119.591 -0.236 25927 8938 1 15 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.561 0.185 25927 8939 1 15 . 1 1 72 72 ASP C C 72 177.124 177.124 177.213 -0.089 25927 8940 1 15 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.655 0.018 25927 8941 1 15 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.612 -0.565 25927 8942 1 15 . 1 1 72 72 ASP H H 72 8.182 8.182 8.273 -0.090 25927 8943 1 15 . 1 1 73 73 PHE N N 73 122.846 122.846 121.926 0.920 25927 8944 1 15 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.117 0.013 25927 8945 1 15 . 1 1 73 73 PHE C C 73 176.729 176.729 176.815 -0.086 25927 8946 1 15 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.018 1.004 25927 8947 1 15 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.242 0.962 25927 8948 1 15 . 1 1 73 73 PHE H H 73 8.197 8.197 8.305 -0.108 25927 8949 1 15 . 1 1 74 74 GLU N N 74 118.652 118.652 118.628 0.024 25927 8950 1 15 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.885 -0.041 25927 8951 1 15 . 1 1 74 74 GLU C C 74 179.310 179.310 178.708 0.602 25927 8952 1 15 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.679 0.972 25927 8953 1 15 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.390 -0.741 25927 8954 1 15 . 1 1 74 74 GLU H H 74 9.098 9.098 9.022 0.076 25927 8955 1 15 . 1 1 75 75 LYS N N 75 117.836 117.836 119.499 -1.663 25927 8956 1 15 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.083 -0.004 25927 8957 1 15 . 1 1 75 75 LYS C C 75 179.312 179.312 179.341 -0.029 25927 8958 1 15 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.405 -0.125 25927 8959 1 15 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.197 0.145 25927 8960 1 15 . 1 1 75 75 LYS H H 75 8.078 8.078 7.787 0.291 25927 8961 1 15 . 1 1 76 76 THR N N 76 118.581 118.581 117.525 1.056 25927 8962 1 15 . 1 1 76 76 THR HA H 76 4.168 4.168 4.148 0.020 25927 8963 1 15 . 1 1 76 76 THR C C 76 175.873 175.873 176.798 -0.925 25927 8964 1 15 . 1 1 76 76 THR CA C 76 67.009 67.009 66.921 0.088 25927 8965 1 15 . 1 1 76 76 THR CB C 76 68.404 68.404 68.578 -0.174 25927 8966 1 15 . 1 1 76 76 THR H H 76 8.031 8.031 8.367 -0.336 25927 8967 1 15 . 1 1 77 77 VAL N N 77 122.994 122.994 121.720 1.274 25927 8968 1 15 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.550 -0.158 25927 8969 1 15 . 1 1 77 77 VAL C C 77 177.137 177.137 177.594 -0.457 25927 8970 1 15 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.907 0.548 25927 8971 1 15 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.256 0.317 25927 8972 1 15 . 1 1 77 77 VAL H H 77 7.999 7.999 8.124 -0.125 25927 8973 1 15 . 1 1 78 78 VAL N N 78 117.994 117.994 118.895 -0.901 25927 8974 1 15 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.498 0.050 25927 8975 1 15 . 1 1 78 78 VAL C C 78 177.830 177.830 177.546 0.284 25927 8976 1 15 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.422 0.852 25927 8977 1 15 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.286 0.457 25927 8978 1 15 . 1 1 78 78 VAL H H 78 7.745 7.745 7.969 -0.224 25927 8979 1 15 . 1 1 79 79 ALA N N 79 120.460 120.460 121.221 -0.761 25927 8980 1 15 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.073 0.107 25927 8981 1 15 . 1 1 79 79 ALA C C 79 176.512 176.512 179.149 -2.637 25927 8982 1 15 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.926 0.175 25927 8983 1 15 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.112 0.058 25927 8984 1 15 . 1 1 79 79 ALA H H 79 7.844 7.844 8.433 -0.589 25927 8985 1 15 . 1 1 80 80 ALA N N 80 119.351 119.351 120.577 -1.226 25927 8986 1 15 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.758 -0.762 25927 8987 1 15 . 1 1 80 80 ALA C C 80 180.805 180.805 179.450 1.355 25927 8988 1 15 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.905 -0.248 25927 8989 1 15 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.504 0.854 25927 8990 1 15 . 1 1 80 80 ALA H H 80 8.178 8.178 8.079 0.099 25927 8991 1 15 . 1 1 81 81 LEU N N 81 123.041 123.041 119.490 3.551 25927 8992 1 15 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.028 -0.164 25927 8993 1 15 . 1 1 81 81 LEU C C 81 179.526 179.526 179.067 0.459 25927 8994 1 15 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.760 1.125 25927 8995 1 15 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.605 0.945 25927 8996 1 15 . 1 1 81 81 LEU H H 81 8.469 8.469 7.270 1.199 25927 8997 1 15 . 1 1 82 82 ILE N N 82 119.350 119.350 118.713 0.637 25927 8998 1 15 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.635 0.192 25927 8999 1 15 . 1 1 82 82 ILE C C 82 179.375 179.375 178.131 1.244 25927 9000 1 15 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.317 -0.737 25927 9001 1 15 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.643 0.971 25927 9002 1 15 . 1 1 82 82 ILE H H 82 7.988 7.988 7.313 0.675 25927 9003 1 15 . 1 1 83 83 GLN N N 83 118.033 118.033 118.371 -0.338 25927 9004 1 15 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.919 0.274 25927 9005 1 15 . 1 1 83 83 GLN C C 83 179.932 179.932 178.619 1.313 25927 9006 1 15 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.774 0.389 25927 9007 1 15 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.001 0.693 25927 9008 1 15 . 1 1 83 83 GLN H H 83 8.665 8.665 8.176 0.489 25927 9009 1 15 . 1 1 84 84 THR N N 84 118.583 118.583 115.126 3.457 25927 9010 1 15 . 1 1 84 84 THR HA H 84 3.813 3.813 4.053 -0.240 25927 9011 1 15 . 1 1 84 84 THR C C 84 175.824 175.824 176.237 -0.413 25927 9012 1 15 . 1 1 84 84 THR CA C 84 68.515 68.515 67.564 0.951 25927 9013 1 15 . 1 1 84 84 THR CB C 84 67.514 67.514 68.815 -1.301 25927 9014 1 15 . 1 1 84 84 THR H H 84 8.355 8.355 8.171 0.184 25927 9015 1 15 . 1 1 85 85 GLU N N 85 121.547 121.547 120.541 1.006 25927 9016 1 15 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.102 0.071 25927 9017 1 15 . 1 1 85 85 GLU C C 85 178.637 178.637 178.474 0.163 25927 9018 1 15 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.130 1.246 25927 9019 1 15 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.854 0.358 25927 9020 1 15 . 1 1 85 85 GLU H H 85 7.846 7.846 7.855 -0.009 25927 9021 1 15 . 1 1 86 86 GLU N N 86 118.203 118.203 119.461 -1.258 25927 9022 1 15 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.021 0.083 25927 9023 1 15 . 1 1 86 86 GLU C C 86 179.080 179.080 178.833 0.247 25927 9024 1 15 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.101 0.583 25927 9025 1 15 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.119 0.439 25927 9026 1 15 . 1 1 86 86 GLU H H 86 8.154 8.154 8.509 -0.355 25927 9027 1 15 . 1 1 87 87 ALA N N 87 121.242 121.242 121.293 -0.051 25927 9028 1 15 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.152 0.024 25927 9029 1 15 . 1 1 87 87 ALA C C 87 181.299 181.299 179.333 1.966 25927 9030 1 15 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.750 0.466 25927 9031 1 15 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.644 0.589 25927 9032 1 15 . 1 1 87 87 ALA H H 87 8.181 8.181 7.465 0.716 25927 9033 1 15 . 1 1 88 88 LEU N N 88 119.086 119.086 117.800 1.286 25927 9034 1 15 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.082 -0.085 25927 9035 1 15 . 1 1 88 88 LEU C C 88 179.526 179.526 178.181 1.345 25927 9036 1 15 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.045 1.503 25927 9037 1 15 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.450 -0.206 25927 9038 1 15 . 1 1 88 88 LEU H H 88 8.379 8.379 7.421 0.958 25927 9039 1 15 . 1 1 89 89 ASN N N 89 119.429 119.429 118.671 0.758 25927 9040 1 15 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.454 0.113 25927 9041 1 15 . 1 1 89 89 ASN C C 89 177.117 177.117 177.224 -0.107 25927 9042 1 15 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.861 -0.856 25927 9043 1 15 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.496 -0.147 25927 9044 1 15 . 1 1 89 89 ASN H H 89 8.271 8.271 8.651 -0.380 25927 9045 1 15 . 1 1 90 90 ARG N N 90 118.735 118.735 116.908 1.827 25927 9046 1 15 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.419 -0.266 25927 9047 1 15 . 1 1 90 90 ARG C C 90 177.836 177.836 177.243 0.593 25927 9048 1 15 . 1 1 90 90 ARG CA C 90 58.574 58.574 55.964 2.610 25927 9049 1 15 . 1 1 90 90 ARG CB C 90 30.230 30.230 29.793 0.437 25927 9050 1 15 . 1 1 90 90 ARG H H 90 8.010 8.010 7.780 0.230 25927 9051 1 15 . 1 1 91 91 ARG N N 91 118.976 118.976 119.283 -0.307 25927 9052 1 15 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.261 -0.052 25927 9053 1 15 . 1 1 91 91 ARG C C 91 177.455 177.455 177.788 -0.333 25927 9054 1 15 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.368 -0.342 25927 9055 1 15 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.153 -0.366 25927 9056 1 15 . 1 1 91 91 ARG H H 91 7.833 7.833 7.580 0.253 25927 9057 1 15 . 1 1 92 92 GLN N N 92 118.834 118.834 113.977 4.857 25927 9058 1 15 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.368 -0.111 25927 9059 1 15 . 1 1 92 92 GLN C C 92 177.362 177.362 177.464 -0.102 25927 9060 1 15 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.824 0.664 25927 9061 1 15 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.602 -1.470 25927 9062 1 15 . 1 1 92 92 GLN H H 92 7.988 7.988 8.156 -0.168 25927 9063 1 15 . 1 1 93 93 ILE N N 93 120.499 120.499 122.504 -2.005 25927 9064 1 15 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.741 0.275 25927 9065 1 15 . 1 1 93 93 ILE C C 93 177.002 177.002 176.862 0.140 25927 9066 1 15 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.950 -2.089 25927 9067 1 15 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.316 1.252 25927 9068 1 15 . 1 1 93 93 ILE H H 93 7.976 7.976 7.851 0.125 25927 9069 1 15 . 1 1 94 94 ASN N N 94 120.172 120.172 119.651 0.521 25927 9070 1 15 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.286 0.353 25927 9071 1 15 . 1 1 94 94 ASN C C 94 176.336 176.336 177.416 -1.080 25927 9072 1 15 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.209 -1.892 25927 9073 1 15 . 1 1 94 94 ASN CB C 94 38.600 38.600 37.195 1.405 25927 9074 1 15 . 1 1 94 94 ASN H H 94 8.272 8.272 8.002 0.270 25927 9075 1 15 . 1 1 95 95 GLN N N 95 120.288 120.288 119.137 1.151 25927 9076 1 15 . 1 1 95 95 GLN HA H 95 4.180 4.180 3.956 0.224 25927 9077 1 15 . 1 1 95 95 GLN C C 95 176.701 176.701 177.570 -0.869 25927 9078 1 15 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.562 -1.383 25927 9079 1 15 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.498 0.498 25927 9080 1 15 . 1 1 95 95 GLN H H 95 8.303 8.303 8.067 0.236 25927 9081 1 15 . 1 1 96 96 ALA N N 96 123.219 123.219 121.530 1.689 25927 9082 1 15 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.215 0.046 25927 9083 1 15 . 1 1 96 96 ALA C C 96 178.429 178.429 179.847 -1.418 25927 9084 1 15 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.429 -0.997 25927 9085 1 15 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.886 -0.113 25927 9086 1 15 . 1 1 96 96 ALA H H 96 8.112 8.112 7.495 0.617 25927 9087 1 15 . 1 1 97 97 LEU N N 97 119.452 119.452 116.954 2.498 25927 9088 1 15 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.154 0.147 25927 9089 1 15 . 1 1 97 97 LEU C C 97 177.834 177.834 178.155 -0.321 25927 9090 1 15 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.200 -1.454 25927 9091 1 15 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.535 0.755 25927 9092 1 15 . 1 1 97 97 LEU H H 97 7.932 7.932 8.129 -0.197 25927 9093 1 15 . 1 1 98 98 LEU N N 98 121.124 121.124 117.901 3.223 25927 9094 1 15 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.268 0.109 25927 9095 1 15 . 1 1 98 98 LEU C C 98 177.729 177.729 177.205 0.524 25927 9096 1 15 . 1 1 98 98 LEU CA C 98 55.426 55.426 55.498 -0.072 25927 9097 1 15 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.252 0.154 25927 9098 1 15 . 1 1 98 98 LEU H H 98 7.947 7.947 7.866 0.081 25927 9099 1 15 . 1 1 99 99 SER N N 99 115.913 115.913 113.243 2.670 25927 9100 1 15 . 1 1 99 99 SER HA H 99 4.525 4.525 4.130 0.395 25927 9101 1 15 . 1 1 99 99 SER C C 99 174.980 174.980 173.726 1.254 25927 9102 1 15 . 1 1 99 99 SER CA C 99 58.478 58.478 58.751 -0.273 25927 9103 1 15 . 1 1 99 99 SER CB C 99 63.839 63.839 61.444 2.395 25927 9104 1 15 . 1 1 99 99 SER H H 99 8.238 8.238 7.775 0.463 25927 9105 1 15 . 1 1 100 100 THR N N 100 114.610 114.610 110.948 3.662 25927 9106 1 15 . 1 1 100 100 THR HA H 100 4.361 4.361 4.012 0.349 25927 9107 1 15 . 1 1 100 100 THR C C 100 175.368 175.368 175.344 0.024 25927 9108 1 15 . 1 1 100 100 THR CA C 100 62.195 62.195 63.572 -1.377 25927 9109 1 15 . 1 1 100 100 THR CB C 100 69.794 69.794 66.944 2.850 25927 9110 1 15 . 1 1 100 100 THR H H 100 8.140 8.140 8.316 -0.176 25927 9111 1 15 . 1 1 101 101 GLY N N 101 110.650 110.650 107.490 3.160 25927 9112 1 15 . 1 1 101 101 GLY C C 101 173.935 173.935 173.859 0.076 25927 9113 1 15 . 1 1 101 101 GLY CA C 101 45.493 45.493 45.704 -0.211 25927 9114 1 15 . 1 1 101 101 GLY H H 101 8.353 8.353 7.942 0.411 25927 9115 1 15 . 1 1 102 102 ASP N N 102 120.512 120.512 118.624 1.888 25927 9116 1 15 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.891 -0.288 25927 9117 1 15 . 1 1 102 102 ASP C C 102 176.419 176.419 175.323 1.096 25927 9118 1 15 . 1 1 102 102 ASP CA C 102 54.291 54.291 53.333 0.958 25927 9119 1 15 . 1 1 102 102 ASP CB C 102 41.277 41.277 44.217 -2.940 25927 9120 1 15 . 1 1 102 102 ASP H H 102 8.204 8.204 7.658 0.546 25927 9121 1 15 . 1 1 103 103 LEU N N 103 122.331 122.331 118.821 3.510 25927 9122 1 15 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.456 -0.198 25927 9123 1 15 . 1 1 103 103 LEU C C 103 177.394 177.394 175.773 1.621 25927 9124 1 15 . 1 1 103 103 LEU CA C 103 55.528 55.528 56.047 -0.520 25927 9125 1 15 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.538 -0.310 25927 9126 1 15 . 1 1 103 103 LEU H H 103 8.170 8.170 8.229 -0.059 25927 9127 1 15 . 1 1 104 104 ALA N N 104 123.139 123.139 123.377 -0.238 25927 9128 1 15 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.664 -0.464 25927 9129 1 15 . 1 1 104 104 ALA C C 104 177.730 177.730 177.512 0.218 25927 9130 1 15 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.266 0.508 25927 9131 1 15 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.792 -0.787 25927 9132 1 15 . 1 1 104 104 ALA H H 104 8.150 8.150 8.899 -0.749 25927 9133 1 15 . 1 1 105 105 HIS N N 105 117.105 117.105 118.238 -1.133 25927 9134 1 15 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.508 0.133 25927 9135 1 15 . 1 1 105 105 HIS C C 105 174.414 174.414 175.643 -1.229 25927 9136 1 15 . 1 1 105 105 HIS CA C 105 55.520 55.520 58.161 -2.641 25927 9137 1 15 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.098 -0.820 25927 9138 1 15 . 1 1 105 105 HIS H H 105 8.239 8.239 8.669 -0.430 25927 9139 1 15 . 1 1 106 106 ASP N N 106 121.315 121.315 117.151 4.164 25927 9140 1 15 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.786 -0.183 25927 9141 1 15 . 1 1 106 106 ASP C C 106 176.370 176.370 176.145 0.225 25927 9142 1 15 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.190 0.129 25927 9143 1 15 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.163 1.251 25927 9144 1 15 . 1 1 106 106 ASP H H 106 8.298 8.298 8.327 -0.029 25927 9145 1 15 . 1 1 107 107 GLU N N 107 121.228 121.228 119.404 1.824 25927 9146 1 15 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.281 -0.173 25927 9147 1 15 . 1 1 107 107 GLU C C 107 176.248 176.248 176.199 0.049 25927 9148 1 15 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.610 -0.418 25927 9149 1 15 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.377 -0.282 25927 9150 1 15 . 1 1 107 107 GLU H H 107 8.536 8.536 8.677 -0.141 25927 9151 1 16 . 1 1 2 2 VAL N N 2 119.413 119.413 119.023 0.390 25927 9152 1 16 . 1 1 2 2 VAL HA H 2 4.132 4.132 3.727 0.405 25927 9153 1 16 . 1 1 2 2 VAL C C 2 175.957 175.957 174.557 1.400 25927 9154 1 16 . 1 1 2 2 VAL CA C 2 62.517 62.517 63.005 -0.488 25927 9155 1 16 . 1 1 2 2 VAL CB C 2 32.676 32.676 31.637 1.039 25927 9156 1 16 . 1 1 2 2 VAL H H 2 8.453 8.453 8.295 0.158 25927 9157 1 16 . 1 1 3 3 GLU N N 3 125.255 125.255 123.343 1.912 25927 9158 1 16 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.570 -0.222 25927 9159 1 16 . 1 1 3 3 GLU C C 3 176.154 176.154 175.678 0.476 25927 9160 1 16 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.104 0.365 25927 9161 1 16 . 1 1 3 3 GLU CB C 3 30.382 30.382 30.883 -0.501 25927 9162 1 16 . 1 1 3 3 GLU H H 3 8.587 8.587 8.318 0.269 25927 9163 1 16 . 1 1 4 4 VAL N N 4 121.132 121.132 123.584 -2.452 25927 9164 1 16 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.148 -0.027 25927 9165 1 16 . 1 1 4 4 VAL C C 4 175.762 175.762 174.969 0.793 25927 9166 1 16 . 1 1 4 4 VAL CA C 4 62.028 62.028 62.141 -0.113 25927 9167 1 16 . 1 1 4 4 VAL CB C 4 33.056 33.056 32.464 0.592 25927 9168 1 16 . 1 1 4 4 VAL H H 4 8.172 8.172 8.344 -0.172 25927 9169 1 16 . 1 1 5 5 GLU N N 5 125.223 125.223 117.855 7.368 25927 9170 1 16 . 1 1 5 5 GLU HA H 5 4.324 4.324 3.996 0.328 25927 9171 1 16 . 1 1 5 5 GLU C C 5 176.006 176.006 175.966 0.040 25927 9172 1 16 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.875 -0.486 25927 9173 1 16 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.706 1.713 25927 9174 1 16 . 1 1 5 5 GLU H H 5 8.472 8.472 8.358 0.114 25927 9175 1 16 . 1 1 6 6 VAL N N 6 123.435 123.435 118.196 5.239 25927 9176 1 16 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.994 0.442 25927 9177 1 16 . 1 1 6 6 VAL CA C 6 59.746 59.746 63.884 -4.138 25927 9178 1 16 . 1 1 6 6 VAL CB C 6 32.738 32.738 31.014 1.724 25927 9179 1 16 . 1 1 6 6 VAL H H 6 8.288 8.288 8.029 0.259 25927 9180 1 16 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.586 -0.150 25927 9181 1 16 . 1 1 7 7 PRO C C 7 177.461 177.461 176.538 0.923 25927 9182 1 16 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.357 0.988 25927 9183 1 16 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.762 -0.458 25927 9184 1 16 . 1 1 8 8 GLY N N 8 108.925 108.925 106.390 2.535 25927 9185 1 16 . 1 1 8 8 GLY C C 8 173.995 173.995 173.273 0.722 25927 9186 1 16 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.923 0.503 25927 9187 1 16 . 1 1 8 8 GLY H H 8 8.334 8.334 8.215 0.119 25927 9188 1 16 . 1 1 9 9 LEU N N 9 121.559 121.559 121.011 0.548 25927 9189 1 16 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.746 -0.287 25927 9190 1 16 . 1 1 9 9 LEU C C 9 176.870 176.870 175.766 1.104 25927 9191 1 16 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.394 1.227 25927 9192 1 16 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.244 0.804 25927 9193 1 16 . 1 1 9 9 LEU H H 9 8.150 8.150 8.535 -0.385 25927 9194 1 16 . 1 1 10 10 LEU N N 10 122.690 122.690 122.610 0.080 25927 9195 1 16 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.401 0.760 25927 9196 1 16 . 1 1 10 10 LEU C C 10 177.427 177.427 177.094 0.333 25927 9197 1 16 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.734 -1.872 25927 9198 1 16 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.812 1.837 25927 9199 1 16 . 1 1 10 10 LEU H H 10 8.348 8.348 7.748 0.600 25927 9200 1 16 . 1 1 11 11 THR N N 11 124.118 124.118 119.131 4.987 25927 9201 1 16 . 1 1 11 11 THR HA H 11 4.295 4.295 4.426 -0.131 25927 9202 1 16 . 1 1 11 11 THR C C 11 172.853 172.853 173.920 -1.067 25927 9203 1 16 . 1 1 11 11 THR CA C 11 63.577 63.577 60.916 2.661 25927 9204 1 16 . 1 1 11 11 THR CB C 11 69.325 69.325 71.410 -2.085 25927 9205 1 16 . 1 1 11 11 THR H H 11 9.186 9.186 8.013 1.173 25927 9206 1 16 . 1 1 12 12 ASP N N 12 127.226 127.226 125.417 1.809 25927 9207 1 16 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.819 0.478 25927 9208 1 16 . 1 1 12 12 ASP C C 12 176.060 176.060 175.810 0.250 25927 9209 1 16 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.522 0.257 25927 9210 1 16 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.979 1.065 25927 9211 1 16 . 1 1 12 12 ASP H H 12 8.880 8.880 8.400 0.479 25927 9212 1 16 . 1 1 13 13 HIS N N 13 127.146 127.146 122.020 5.126 25927 9213 1 16 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.490 0.818 25927 9214 1 16 . 1 1 13 13 HIS C C 13 175.365 175.365 173.860 1.505 25927 9215 1 16 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.508 -2.350 25927 9216 1 16 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.773 1.181 25927 9217 1 16 . 1 1 13 13 HIS H H 13 8.867 8.867 7.899 0.968 25927 9218 1 16 . 1 1 14 14 THR N N 14 112.885 112.885 110.179 2.706 25927 9219 1 16 . 1 1 14 14 THR HA H 14 4.522 4.522 4.651 -0.129 25927 9220 1 16 . 1 1 14 14 THR C C 14 174.626 174.626 174.340 0.286 25927 9221 1 16 . 1 1 14 14 THR CA C 14 63.245 63.245 60.674 2.571 25927 9222 1 16 . 1 1 14 14 THR CB C 14 70.178 70.178 70.917 -0.739 25927 9223 1 16 . 1 1 14 14 THR H H 14 8.583 8.583 7.741 0.842 25927 9224 1 16 . 1 1 15 15 VAL N N 15 113.207 113.207 119.996 -6.789 25927 9225 1 16 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.543 0.102 25927 9226 1 16 . 1 1 15 15 VAL C C 15 175.216 175.216 174.545 0.671 25927 9227 1 16 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.493 0.770 25927 9228 1 16 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.554 2.826 25927 9229 1 16 . 1 1 15 15 VAL H H 15 9.104 9.104 8.682 0.422 25927 9230 1 16 . 1 1 16 16 SER N N 16 122.970 122.970 116.110 6.860 25927 9231 1 16 . 1 1 16 16 SER HA H 16 4.196 4.196 4.863 -0.667 25927 9232 1 16 . 1 1 16 16 SER C C 16 174.515 174.515 176.046 -1.531 25927 9233 1 16 . 1 1 16 16 SER CA C 16 57.126 57.126 55.615 1.511 25927 9234 1 16 . 1 1 16 16 SER CB C 16 67.073 67.073 64.972 2.100 25927 9235 1 16 . 1 1 16 16 SER H H 16 9.340 9.340 7.602 1.738 25927 9236 1 16 . 1 1 17 17 SER N N 17 116.643 116.643 122.221 -5.578 25927 9237 1 16 . 1 1 17 17 SER HA H 17 4.157 4.157 4.308 -0.151 25927 9238 1 16 . 1 1 17 17 SER C C 17 176.576 176.576 175.918 0.658 25927 9239 1 16 . 1 1 17 17 SER CA C 17 62.451 62.451 61.231 1.220 25927 9240 1 16 . 1 1 17 17 SER CB C 17 62.539 62.539 62.950 -0.411 25927 9241 1 16 . 1 1 17 17 SER H H 17 8.926 8.926 8.939 -0.013 25927 9242 1 16 . 1 1 18 18 ILE N N 18 120.198 120.198 115.574 4.624 25927 9243 1 16 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.425 -0.354 25927 9244 1 16 . 1 1 18 18 ILE C C 18 177.925 177.925 177.745 0.180 25927 9245 1 16 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.330 2.051 25927 9246 1 16 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.098 -0.518 25927 9247 1 16 . 1 1 18 18 ILE H H 18 7.848 7.848 7.493 0.355 25927 9248 1 16 . 1 1 19 19 GLY N N 19 111.905 111.905 108.641 3.264 25927 9249 1 16 . 1 1 19 19 GLY C C 19 176.153 176.153 176.159 -0.006 25927 9250 1 16 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.194 -0.354 25927 9251 1 16 . 1 1 19 19 GLY H H 19 7.921 7.921 8.195 -0.274 25927 9252 1 16 . 1 1 20 20 HIS N N 20 120.808 120.808 121.436 -0.628 25927 9253 1 16 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.485 0.277 25927 9254 1 16 . 1 1 20 20 HIS C C 20 178.606 178.606 177.175 1.431 25927 9255 1 16 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.547 -1.689 25927 9256 1 16 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.129 -2.414 25927 9257 1 16 . 1 1 20 20 HIS H H 20 8.842 8.842 8.518 0.324 25927 9258 1 16 . 1 1 21 21 ASP N N 21 121.572 121.572 119.261 2.311 25927 9259 1 16 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.456 0.078 25927 9260 1 16 . 1 1 21 21 ASP C C 21 179.630 179.630 178.670 0.960 25927 9261 1 16 . 1 1 21 21 ASP CA C 21 57.505 57.505 56.986 0.519 25927 9262 1 16 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.343 -0.578 25927 9263 1 16 . 1 1 21 21 ASP H H 21 8.592 8.592 7.750 0.842 25927 9264 1 16 . 1 1 22 22 PHE N N 22 123.889 123.889 122.846 1.043 25927 9265 1 16 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.121 -0.026 25927 9266 1 16 . 1 1 22 22 PHE C C 22 175.647 175.647 176.584 -0.937 25927 9267 1 16 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.117 0.811 25927 9268 1 16 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.178 -0.031 25927 9269 1 16 . 1 1 22 22 PHE H H 22 8.790 8.790 8.920 -0.130 25927 9270 1 16 . 1 1 23 23 TYR N N 23 119.855 119.855 120.199 -0.344 25927 9271 1 16 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.976 -0.195 25927 9272 1 16 . 1 1 23 23 TYR C C 23 177.585 177.585 177.347 0.238 25927 9273 1 16 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.937 0.036 25927 9274 1 16 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.504 -0.125 25927 9275 1 16 . 1 1 23 23 TYR H H 23 9.008 9.008 7.879 1.129 25927 9276 1 16 . 1 1 24 24 ARG N N 24 120.673 120.673 118.314 2.359 25927 9277 1 16 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.866 -0.148 25927 9278 1 16 . 1 1 24 24 ARG C C 24 177.149 177.149 178.791 -1.642 25927 9279 1 16 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.262 0.098 25927 9280 1 16 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.248 0.186 25927 9281 1 16 . 1 1 24 24 ARG H H 24 8.576 8.576 7.654 0.922 25927 9282 1 16 . 1 1 25 25 ALA N N 25 120.718 120.718 122.306 -1.588 25927 9283 1 16 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.145 -0.034 25927 9284 1 16 . 1 1 25 25 ALA C C 25 179.502 179.502 178.939 0.563 25927 9285 1 16 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.654 0.156 25927 9286 1 16 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.694 0.696 25927 9287 1 16 . 1 1 25 25 ALA H H 25 8.080 8.080 8.436 -0.356 25927 9288 1 16 . 1 1 26 26 PHE N N 26 118.193 118.193 119.588 -1.395 25927 9289 1 16 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.859 -0.361 25927 9290 1 16 . 1 1 26 26 PHE C C 26 177.120 177.120 176.843 0.277 25927 9291 1 16 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.614 0.683 25927 9292 1 16 . 1 1 26 26 PHE CB C 26 39.907 39.907 38.951 0.956 25927 9293 1 16 . 1 1 26 26 PHE H H 26 8.467 8.467 8.223 0.244 25927 9294 1 16 . 1 1 27 27 SER N N 27 112.572 112.572 113.939 -1.367 25927 9295 1 16 . 1 1 27 27 SER HA H 27 3.845 3.845 4.235 -0.390 25927 9296 1 16 . 1 1 27 27 SER C C 27 176.828 176.828 176.317 0.511 25927 9297 1 16 . 1 1 27 27 SER CA C 27 61.656 61.656 61.090 0.565 25927 9298 1 16 . 1 1 27 27 SER CB C 27 62.952 62.952 62.741 0.211 25927 9299 1 16 . 1 1 27 27 SER H H 27 8.477 8.477 8.005 0.472 25927 9300 1 16 . 1 1 28 28 ASP N N 28 119.022 119.022 121.300 -2.278 25927 9301 1 16 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.518 -0.094 25927 9302 1 16 . 1 1 28 28 ASP C C 28 177.325 177.325 177.290 0.035 25927 9303 1 16 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.271 0.386 25927 9304 1 16 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.971 0.303 25927 9305 1 16 . 1 1 28 28 ASP H H 28 8.019 8.019 7.817 0.202 25927 9306 1 16 . 1 1 29 29 LYS N N 29 115.330 115.330 115.528 -0.198 25927 9307 1 16 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.315 0.044 25927 9308 1 16 . 1 1 29 29 LYS C C 29 175.910 175.910 176.416 -0.506 25927 9309 1 16 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.302 -0.138 25927 9310 1 16 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.734 2.576 25927 9311 1 16 . 1 1 29 29 LYS H H 29 6.910 6.910 7.498 -0.588 25927 9312 1 16 . 1 1 30 30 TRP N N 30 122.847 122.847 124.186 -1.339 25927 9313 1 16 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.054 0.123 25927 9314 1 16 . 1 1 30 30 TRP C C 30 175.188 175.188 175.313 -0.125 25927 9315 1 16 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.659 -0.618 25927 9316 1 16 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.837 0.083 25927 9317 1 16 . 1 1 30 30 TRP H H 30 7.638 7.638 7.672 -0.034 25927 9318 1 16 . 1 1 31 31 GLU N N 31 128.182 128.182 124.339 3.843 25927 9319 1 16 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.107 0.052 25927 9320 1 16 . 1 1 31 31 GLU C C 31 173.960 173.960 173.936 0.024 25927 9321 1 16 . 1 1 31 31 GLU CA C 31 55.114 55.114 54.989 0.125 25927 9322 1 16 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.622 -0.539 25927 9323 1 16 . 1 1 31 31 GLU H H 31 7.426 7.426 7.439 -0.013 25927 9324 1 16 . 1 1 32 32 SER N N 32 115.672 115.672 118.098 -2.426 25927 9325 1 16 . 1 1 32 32 SER HA H 32 4.100 4.100 4.574 -0.474 25927 9326 1 16 . 1 1 32 32 SER C C 32 173.864 173.864 173.587 0.277 25927 9327 1 16 . 1 1 32 32 SER CA C 32 57.344 57.344 57.243 0.101 25927 9328 1 16 . 1 1 32 32 SER CB C 32 64.220 64.220 65.339 -1.119 25927 9329 1 16 . 1 1 32 32 SER H H 32 7.276 7.276 8.035 -0.759 25927 9330 1 16 . 1 1 33 33 ASP N N 33 123.759 123.759 121.500 2.259 25927 9331 1 16 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.524 0.099 25927 9332 1 16 . 1 1 33 33 ASP C C 33 176.175 176.175 176.496 -0.321 25927 9333 1 16 . 1 1 33 33 ASP CA C 33 54.129 54.129 55.030 -0.901 25927 9334 1 16 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.491 -0.881 25927 9335 1 16 . 1 1 33 33 ASP H H 33 8.429 8.429 8.625 -0.196 25927 9336 1 16 . 1 1 34 34 TYR N N 34 122.283 122.283 118.430 3.853 25927 9337 1 16 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.607 -0.033 25927 9338 1 16 . 1 1 34 34 TYR C C 34 177.025 177.025 176.400 0.625 25927 9339 1 16 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.784 1.033 25927 9340 1 16 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.128 0.006 25927 9341 1 16 . 1 1 34 34 TYR H H 34 8.649 8.649 7.805 0.844 25927 9342 1 16 . 1 1 35 35 THR N N 35 116.852 116.852 112.937 3.915 25927 9343 1 16 . 1 1 35 35 THR HA H 35 4.311 4.311 4.088 0.223 25927 9344 1 16 . 1 1 35 35 THR C C 35 174.704 174.704 174.275 0.429 25927 9345 1 16 . 1 1 35 35 THR CA C 35 61.364 61.364 62.945 -1.581 25927 9346 1 16 . 1 1 35 35 THR CB C 35 69.454 69.454 68.758 0.696 25927 9347 1 16 . 1 1 35 35 THR H H 35 8.067 8.067 8.476 -0.409 25927 9348 1 16 . 1 1 36 36 GLY N N 36 107.698 107.698 107.188 0.510 25927 9349 1 16 . 1 1 36 36 GLY C C 36 171.455 171.455 174.204 -2.749 25927 9350 1 16 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.043 -0.525 25927 9351 1 16 . 1 1 36 36 GLY H H 36 5.732 5.732 6.485 -0.753 25927 9352 1 16 . 1 1 37 37 ASN N N 37 117.424 117.424 118.945 -1.521 25927 9353 1 16 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.718 0.267 25927 9354 1 16 . 1 1 37 37 ASN C C 37 175.393 175.393 173.677 1.716 25927 9355 1 16 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.285 0.548 25927 9356 1 16 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.249 3.264 25927 9357 1 16 . 1 1 37 37 ASN H H 37 8.346 8.346 8.480 -0.134 25927 9358 1 16 . 1 1 38 38 LEU N N 38 126.809 126.809 118.558 8.251 25927 9359 1 16 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.648 -0.650 25927 9360 1 16 . 1 1 38 38 LEU C C 38 175.770 175.770 175.368 0.402 25927 9361 1 16 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.845 2.169 25927 9362 1 16 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.537 -0.471 25927 9363 1 16 . 1 1 38 38 LEU H H 38 8.469 8.469 7.783 0.686 25927 9364 1 16 . 1 1 39 39 THR N N 39 119.369 119.369 114.258 5.111 25927 9365 1 16 . 1 1 39 39 THR HA H 39 4.799 4.799 4.920 -0.121 25927 9366 1 16 . 1 1 39 39 THR C C 39 172.224 172.224 172.694 -0.470 25927 9367 1 16 . 1 1 39 39 THR CA C 39 61.958 61.958 60.536 1.422 25927 9368 1 16 . 1 1 39 39 THR CB C 39 70.327 70.327 72.121 -1.794 25927 9369 1 16 . 1 1 39 39 THR H H 39 8.849 8.849 8.911 -0.062 25927 9370 1 16 . 1 1 40 40 ILE N N 40 125.490 125.490 123.810 1.680 25927 9371 1 16 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.376 0.144 25927 9372 1 16 . 1 1 40 40 ILE C C 40 173.125 173.125 173.741 -0.616 25927 9373 1 16 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.342 0.839 25927 9374 1 16 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.279 -2.829 25927 9375 1 16 . 1 1 40 40 ILE H H 40 8.562 8.562 7.933 0.629 25927 9376 1 16 . 1 1 41 41 ASN N N 41 124.656 124.656 123.958 0.698 25927 9377 1 16 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.698 -0.798 25927 9378 1 16 . 1 1 41 41 ASN C C 41 173.445 173.445 173.990 -0.545 25927 9379 1 16 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.592 0.487 25927 9380 1 16 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.450 -0.334 25927 9381 1 16 . 1 1 41 41 ASN H H 41 9.173 9.173 8.801 0.372 25927 9382 1 16 . 1 1 42 42 GLU N N 42 120.095 120.095 121.305 -1.210 25927 9383 1 16 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.325 0.060 25927 9384 1 16 . 1 1 42 42 GLU C C 42 173.971 173.971 175.359 -1.388 25927 9385 1 16 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.711 -0.581 25927 9386 1 16 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.267 2.190 25927 9387 1 16 . 1 1 42 42 GLU H H 42 7.741 7.741 8.231 -0.490 25927 9388 1 16 . 1 1 43 43 ARG N N 43 127.178 127.178 121.597 5.581 25927 9389 1 16 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.781 0.252 25927 9390 1 16 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.254 0.441 25927 9391 1 16 . 1 1 43 43 ARG CB C 43 32.488 32.488 31.985 0.503 25927 9392 1 16 . 1 1 43 43 ARG H H 43 9.039 9.039 8.723 0.316 25927 9393 1 16 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.604 0.123 25927 9394 1 16 . 1 1 44 44 PRO C C 44 176.335 176.335 176.130 0.205 25927 9395 1 16 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.804 0.538 25927 9396 1 16 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.204 0.470 25927 9397 1 16 . 1 1 45 45 SER N N 45 117.089 117.089 122.610 -5.521 25927 9398 1 16 . 1 1 45 45 SER HA H 45 4.837 4.837 4.721 0.116 25927 9399 1 16 . 1 1 45 45 SER C C 45 174.334 174.334 174.562 -0.228 25927 9400 1 16 . 1 1 45 45 SER CA C 45 56.688 56.688 57.545 -0.857 25927 9401 1 16 . 1 1 45 45 SER CB C 45 64.628 64.628 64.499 0.129 25927 9402 1 16 . 1 1 45 45 SER H H 45 8.497 8.497 8.920 -0.423 25927 9403 1 16 . 1 1 46 46 ALA N N 46 126.901 126.901 127.803 -0.902 25927 9404 1 16 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.058 0.164 25927 9405 1 16 . 1 1 46 46 ALA C C 46 178.171 178.171 178.456 -0.285 25927 9406 1 16 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.241 -0.153 25927 9407 1 16 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.954 -0.362 25927 9408 1 16 . 1 1 46 46 ALA H H 46 8.780 8.780 8.696 0.084 25927 9409 1 16 . 1 1 47 47 ARG N N 47 117.860 117.860 117.058 0.802 25927 9410 1 16 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.156 0.254 25927 9411 1 16 . 1 1 47 47 ARG C C 47 175.674 175.674 176.496 -0.822 25927 9412 1 16 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.017 -1.764 25927 9413 1 16 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.605 0.982 25927 9414 1 16 . 1 1 47 47 ARG H H 47 8.381 8.381 8.007 0.374 25927 9415 1 16 . 1 1 48 48 ALA N N 48 121.099 121.099 117.553 3.546 25927 9416 1 16 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.623 -0.204 25927 9417 1 16 . 1 1 48 48 ALA C C 48 176.874 176.874 175.914 0.960 25927 9418 1 16 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.184 1.084 25927 9419 1 16 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.549 -1.768 25927 9420 1 16 . 1 1 48 48 ALA H H 48 8.012 8.012 8.162 -0.150 25927 9421 1 16 . 1 1 49 49 GLY N N 49 106.126 106.126 107.268 -1.142 25927 9422 1 16 . 1 1 49 49 GLY C C 49 172.803 172.803 172.100 0.703 25927 9423 1 16 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.995 -1.505 25927 9424 1 16 . 1 1 49 49 GLY H H 49 7.946 7.946 8.530 -0.584 25927 9425 1 16 . 1 1 50 50 SER N N 50 113.972 113.972 116.207 -2.235 25927 9426 1 16 . 1 1 50 50 SER HA H 50 4.736 4.736 5.139 -0.403 25927 9427 1 16 . 1 1 50 50 SER C C 50 171.367 171.367 172.593 -1.226 25927 9428 1 16 . 1 1 50 50 SER CA C 50 57.165 57.165 56.204 0.961 25927 9429 1 16 . 1 1 50 50 SER CB C 50 66.797 66.797 66.274 0.523 25927 9430 1 16 . 1 1 50 50 SER H H 50 7.631 7.631 8.199 -0.568 25927 9431 1 16 . 1 1 51 51 TRP N N 51 121.787 121.787 123.516 -1.729 25927 9432 1 16 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.187 0.669 25927 9433 1 16 . 1 1 51 51 TRP C C 51 176.055 176.055 175.797 0.258 25927 9434 1 16 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.223 -0.430 25927 9435 1 16 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.480 0.054 25927 9436 1 16 . 1 1 51 51 TRP H H 51 8.588 8.588 8.612 -0.024 25927 9437 1 16 . 1 1 52 52 ILE N N 52 126.898 126.898 124.967 1.931 25927 9438 1 16 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.798 0.273 25927 9439 1 16 . 1 1 52 52 ILE C C 52 175.754 175.754 175.129 0.625 25927 9440 1 16 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.540 -1.807 25927 9441 1 16 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.158 0.197 25927 9442 1 16 . 1 1 52 52 ILE H H 52 8.963 8.963 9.083 -0.120 25927 9443 1 16 . 1 1 53 53 THR N N 53 116.271 116.271 123.680 -7.409 25927 9444 1 16 . 1 1 53 53 THR HA H 53 5.095 5.095 4.782 0.313 25927 9445 1 16 . 1 1 53 53 THR C C 53 173.382 173.382 172.836 0.546 25927 9446 1 16 . 1 1 53 53 THR CA C 53 59.290 59.290 61.775 -2.485 25927 9447 1 16 . 1 1 53 53 THR CB C 53 71.819 71.819 70.888 0.931 25927 9448 1 16 . 1 1 53 53 THR H H 53 8.371 8.371 9.141 -0.770 25927 9449 1 16 . 1 1 54 54 ILE N N 54 124.947 124.947 129.703 -4.756 25927 9450 1 16 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.081 0.102 25927 9451 1 16 . 1 1 54 54 ILE C C 54 175.952 175.952 173.885 2.067 25927 9452 1 16 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.339 2.255 25927 9453 1 16 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.836 -2.219 25927 9454 1 16 . 1 1 54 54 ILE H H 54 9.056 9.056 9.045 0.011 25927 9455 1 16 . 1 1 55 55 THR N N 55 118.298 118.298 123.147 -4.849 25927 9456 1 16 . 1 1 55 55 THR HA H 55 5.458 5.458 5.120 0.338 25927 9457 1 16 . 1 1 55 55 THR C C 55 173.980 173.980 173.566 0.414 25927 9458 1 16 . 1 1 55 55 THR CA C 55 58.717 58.717 59.772 -1.055 25927 9459 1 16 . 1 1 55 55 THR CB C 55 71.839 71.839 71.010 0.829 25927 9460 1 16 . 1 1 55 55 THR H H 55 9.250 9.250 8.908 0.342 25927 9461 1 16 . 1 1 56 56 VAL N N 56 120.047 120.047 126.064 -6.017 25927 9462 1 16 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.712 -0.292 25927 9463 1 16 . 1 1 56 56 VAL C C 56 176.226 176.226 176.504 -0.278 25927 9464 1 16 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.702 -0.661 25927 9465 1 16 . 1 1 56 56 VAL CB C 56 33.761 33.761 32.056 1.705 25927 9466 1 16 . 1 1 56 56 VAL H H 56 8.435 8.435 8.807 -0.372 25927 9467 1 16 . 1 1 57 57 ASN N N 57 125.479 125.479 126.876 -1.397 25927 9468 1 16 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.263 -0.068 25927 9469 1 16 . 1 1 57 57 ASN C C 57 175.026 175.026 175.578 -0.552 25927 9470 1 16 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.578 -0.882 25927 9471 1 16 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.344 -0.345 25927 9472 1 16 . 1 1 57 57 ASN H H 57 9.199 9.199 9.398 -0.199 25927 9473 1 16 . 1 1 58 58 GLN N N 58 116.897 116.897 116.351 0.546 25927 9474 1 16 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.486 -0.300 25927 9475 1 16 . 1 1 58 58 GLN C C 58 175.237 175.237 174.812 0.425 25927 9476 1 16 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.500 1.339 25927 9477 1 16 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.033 -2.450 25927 9478 1 16 . 1 1 58 58 GLN H H 58 8.576 8.576 8.243 0.333 25927 9479 1 16 . 1 1 59 59 ASP N N 59 122.465 122.465 122.919 -0.454 25927 9480 1 16 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.890 -0.174 25927 9481 1 16 . 1 1 59 59 ASP C C 59 175.302 175.302 174.504 0.798 25927 9482 1 16 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.744 0.389 25927 9483 1 16 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.040 -2.587 25927 9484 1 16 . 1 1 59 59 ASP H H 59 8.343 8.343 8.260 0.083 25927 9485 1 16 . 1 1 60 60 VAL N N 60 124.577 124.577 123.691 0.886 25927 9486 1 16 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.124 -0.247 25927 9487 1 16 . 1 1 60 60 VAL C C 60 176.802 176.802 175.589 1.213 25927 9488 1 16 . 1 1 60 60 VAL CA C 60 63.781 63.781 63.001 0.780 25927 9489 1 16 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.702 -0.968 25927 9490 1 16 . 1 1 60 60 VAL H H 60 8.754 8.754 8.735 0.019 25927 9491 1 16 . 1 1 61 61 ILE N N 61 123.852 123.852 124.365 -0.513 25927 9492 1 16 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.562 -0.043 25927 9493 1 16 . 1 1 61 61 ILE C C 61 175.073 175.073 175.087 -0.014 25927 9494 1 16 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.174 -0.575 25927 9495 1 16 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.187 -1.217 25927 9496 1 16 . 1 1 61 61 ILE H H 61 8.984 8.984 8.089 0.895 25927 9497 1 16 . 1 1 62 62 PHE N N 62 119.927 119.927 120.823 -0.896 25927 9498 1 16 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.860 -0.214 25927 9499 1 16 . 1 1 62 62 PHE C C 62 171.958 171.958 172.806 -0.848 25927 9500 1 16 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.415 0.956 25927 9501 1 16 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.724 0.086 25927 9502 1 16 . 1 1 62 62 PHE H H 62 7.557 7.557 7.600 -0.043 25927 9503 1 16 . 1 1 63 63 GLN N N 63 125.524 125.524 122.749 2.775 25927 9504 1 16 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.820 0.289 25927 9505 1 16 . 1 1 63 63 GLN C C 63 172.837 172.837 173.550 -0.713 25927 9506 1 16 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.866 -0.104 25927 9507 1 16 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.771 -0.091 25927 9508 1 16 . 1 1 63 63 GLN H H 63 7.389 7.389 7.676 -0.287 25927 9509 1 16 . 1 1 64 64 THR N N 64 115.981 115.981 114.941 1.040 25927 9510 1 16 . 1 1 64 64 THR HA H 64 4.428 4.428 4.529 -0.101 25927 9511 1 16 . 1 1 64 64 THR C C 64 169.980 169.980 172.159 -2.179 25927 9512 1 16 . 1 1 64 64 THR CA C 64 60.555 60.555 61.057 -0.502 25927 9513 1 16 . 1 1 64 64 THR CB C 64 69.083 69.083 71.819 -2.736 25927 9514 1 16 . 1 1 64 64 THR H H 64 8.588 8.588 8.736 -0.148 25927 9515 1 16 . 1 1 65 65 PHE N N 65 125.997 125.997 123.886 2.111 25927 9516 1 16 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.546 -0.132 25927 9517 1 16 . 1 1 65 65 PHE C C 65 173.940 173.940 174.475 -0.535 25927 9518 1 16 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.315 -0.064 25927 9519 1 16 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.045 0.668 25927 9520 1 16 . 1 1 65 65 PHE H H 65 8.054 8.054 8.291 -0.237 25927 9521 1 16 . 1 1 66 66 LEU N N 66 127.935 127.935 125.835 2.100 25927 9522 1 16 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.594 -0.142 25927 9523 1 16 . 1 1 66 66 LEU C C 66 174.502 174.502 175.187 -0.685 25927 9524 1 16 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.658 -1.049 25927 9525 1 16 . 1 1 66 66 LEU H H 66 8.383 8.383 8.590 -0.207 25927 9526 1 16 . 1 1 67 67 PHE N N 67 123.162 123.162 119.321 3.841 25927 9527 1 16 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.474 -0.850 25927 9528 1 16 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.630 -1.503 25927 9529 1 16 . 1 1 67 67 PHE H H 67 8.285 8.285 8.860 -0.575 25927 9530 1 16 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.508 -0.061 25927 9531 1 16 . 1 1 68 68 PRO C C 68 175.918 175.918 177.140 -1.222 25927 9532 1 16 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.055 -2.432 25927 9533 1 16 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.322 -0.101 25927 9534 1 16 . 1 1 69 69 LEU N N 69 121.360 121.360 118.431 2.929 25927 9535 1 16 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.367 -0.173 25927 9536 1 16 . 1 1 69 69 LEU CA C 69 55.251 55.251 56.068 -0.817 25927 9537 1 16 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.385 -1.708 25927 9538 1 16 . 1 1 69 69 LEU H H 69 8.300 8.300 8.343 -0.043 25927 9539 1 16 . 1 1 70 70 LYS N N 70 123.012 123.012 118.510 4.502 25927 9540 1 16 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.948 -0.248 25927 9541 1 16 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.324 -3.604 25927 9542 1 16 . 1 1 70 70 LYS H H 70 8.156 8.156 7.886 0.270 25927 9543 1 16 . 1 1 71 71 ARG N N 71 125.250 125.250 120.769 4.481 25927 9544 1 16 . 1 1 71 71 ARG C C 71 179.581 179.581 176.823 2.758 25927 9545 1 16 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.711 0.507 25927 9546 1 16 . 1 1 71 71 ARG H H 71 8.279 8.279 8.807 -0.528 25927 9547 1 16 . 1 1 72 72 ASP N N 72 119.355 119.355 120.022 -0.667 25927 9548 1 16 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.534 0.212 25927 9549 1 16 . 1 1 72 72 ASP C C 72 177.124 177.124 177.004 0.120 25927 9550 1 16 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.699 -0.026 25927 9551 1 16 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.494 -0.447 25927 9552 1 16 . 1 1 72 72 ASP H H 72 8.182 8.182 8.240 -0.058 25927 9553 1 16 . 1 1 73 73 PHE N N 73 122.846 122.846 121.969 0.877 25927 9554 1 16 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.117 0.013 25927 9555 1 16 . 1 1 73 73 PHE C C 73 176.729 176.729 176.785 -0.056 25927 9556 1 16 . 1 1 73 73 PHE CA C 73 63.022 63.022 61.916 1.107 25927 9557 1 16 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.185 1.019 25927 9558 1 16 . 1 1 73 73 PHE H H 73 8.197 8.197 8.275 -0.078 25927 9559 1 16 . 1 1 74 74 GLU N N 74 118.652 118.652 118.640 0.012 25927 9560 1 16 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.866 -0.022 25927 9561 1 16 . 1 1 74 74 GLU C C 74 179.310 179.310 178.706 0.604 25927 9562 1 16 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.656 0.995 25927 9563 1 16 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.410 -0.761 25927 9564 1 16 . 1 1 74 74 GLU H H 74 9.098 9.098 8.976 0.122 25927 9565 1 16 . 1 1 75 75 LYS N N 75 117.836 117.836 119.469 -1.633 25927 9566 1 16 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.083 -0.004 25927 9567 1 16 . 1 1 75 75 LYS C C 75 179.312 179.312 179.339 -0.027 25927 9568 1 16 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.399 -0.119 25927 9569 1 16 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.204 0.139 25927 9570 1 16 . 1 1 75 75 LYS H H 75 8.078 8.078 7.793 0.285 25927 9571 1 16 . 1 1 76 76 THR N N 76 118.581 118.581 117.528 1.053 25927 9572 1 16 . 1 1 76 76 THR HA H 76 4.168 4.168 4.147 0.021 25927 9573 1 16 . 1 1 76 76 THR C C 76 175.873 175.873 176.787 -0.914 25927 9574 1 16 . 1 1 76 76 THR CA C 76 67.009 67.009 66.939 0.070 25927 9575 1 16 . 1 1 76 76 THR CB C 76 68.404 68.404 68.581 -0.177 25927 9576 1 16 . 1 1 76 76 THR H H 76 8.031 8.031 8.354 -0.323 25927 9577 1 16 . 1 1 77 77 VAL N N 77 122.994 122.994 121.679 1.315 25927 9578 1 16 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.527 -0.135 25927 9579 1 16 . 1 1 77 77 VAL C C 77 177.137 177.137 177.585 -0.448 25927 9580 1 16 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.859 0.596 25927 9581 1 16 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.237 0.336 25927 9582 1 16 . 1 1 77 77 VAL H H 77 7.999 7.999 8.089 -0.090 25927 9583 1 16 . 1 1 78 78 VAL N N 78 117.994 117.994 118.904 -0.910 25927 9584 1 16 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.495 0.053 25927 9585 1 16 . 1 1 78 78 VAL C C 78 177.830 177.830 177.503 0.327 25927 9586 1 16 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.390 0.884 25927 9587 1 16 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.299 0.444 25927 9588 1 16 . 1 1 78 78 VAL H H 78 7.745 7.745 7.969 -0.224 25927 9589 1 16 . 1 1 79 79 ALA N N 79 120.460 120.460 121.197 -0.737 25927 9590 1 16 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.076 0.104 25927 9591 1 16 . 1 1 79 79 ALA C C 79 176.512 176.512 179.153 -2.641 25927 9592 1 16 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.914 0.187 25927 9593 1 16 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.117 0.052 25927 9594 1 16 . 1 1 79 79 ALA H H 79 7.844 7.844 8.429 -0.585 25927 9595 1 16 . 1 1 80 80 ALA N N 80 119.351 119.351 120.587 -1.236 25927 9596 1 16 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.696 -0.700 25927 9597 1 16 . 1 1 80 80 ALA C C 80 180.805 180.805 179.436 1.369 25927 9598 1 16 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.882 -0.224 25927 9599 1 16 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.479 0.879 25927 9600 1 16 . 1 1 80 80 ALA H H 80 8.178 8.178 8.023 0.155 25927 9601 1 16 . 1 1 81 81 LEU N N 81 123.041 123.041 119.478 3.563 25927 9602 1 16 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.021 -0.157 25927 9603 1 16 . 1 1 81 81 LEU C C 81 179.526 179.526 179.069 0.457 25927 9604 1 16 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.757 1.128 25927 9605 1 16 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.615 0.936 25927 9606 1 16 . 1 1 81 81 LEU H H 81 8.469 8.469 7.263 1.206 25927 9607 1 16 . 1 1 82 82 ILE N N 82 119.350 119.350 118.324 1.026 25927 9608 1 16 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.582 0.245 25927 9609 1 16 . 1 1 82 82 ILE C C 82 179.375 179.375 178.178 1.197 25927 9610 1 16 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.334 -0.755 25927 9611 1 16 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.692 0.922 25927 9612 1 16 . 1 1 82 82 ILE H H 82 7.988 7.988 7.271 0.717 25927 9613 1 16 . 1 1 83 83 GLN N N 83 118.033 118.033 118.422 -0.389 25927 9614 1 16 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.935 0.258 25927 9615 1 16 . 1 1 83 83 GLN C C 83 179.932 179.932 178.593 1.339 25927 9616 1 16 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.758 0.405 25927 9617 1 16 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.041 0.653 25927 9618 1 16 . 1 1 83 83 GLN H H 83 8.665 8.665 8.161 0.504 25927 9619 1 16 . 1 1 84 84 THR N N 84 118.583 118.583 115.260 3.323 25927 9620 1 16 . 1 1 84 84 THR HA H 84 3.813 3.813 4.050 -0.237 25927 9621 1 16 . 1 1 84 84 THR C C 84 175.824 175.824 176.268 -0.444 25927 9622 1 16 . 1 1 84 84 THR CA C 84 68.515 68.515 67.585 0.929 25927 9623 1 16 . 1 1 84 84 THR CB C 84 67.514 67.514 68.793 -1.279 25927 9624 1 16 . 1 1 84 84 THR H H 84 8.355 8.355 8.201 0.154 25927 9625 1 16 . 1 1 85 85 GLU N N 85 121.547 121.547 120.815 0.732 25927 9626 1 16 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.144 0.029 25927 9627 1 16 . 1 1 85 85 GLU C C 85 178.637 178.637 178.585 0.052 25927 9628 1 16 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.184 1.192 25927 9629 1 16 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.954 0.258 25927 9630 1 16 . 1 1 85 85 GLU H H 85 7.846 7.846 7.850 -0.004 25927 9631 1 16 . 1 1 86 86 GLU N N 86 118.203 118.203 119.440 -1.237 25927 9632 1 16 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.068 0.036 25927 9633 1 16 . 1 1 86 86 GLU C C 86 179.080 179.080 178.877 0.203 25927 9634 1 16 . 1 1 86 86 GLU CA C 86 59.684 59.684 58.889 0.795 25927 9635 1 16 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.015 0.543 25927 9636 1 16 . 1 1 86 86 GLU H H 86 8.154 8.154 8.552 -0.398 25927 9637 1 16 . 1 1 87 87 ALA N N 87 121.242 121.242 122.135 -0.893 25927 9638 1 16 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.167 0.009 25927 9639 1 16 . 1 1 87 87 ALA C C 87 181.299 181.299 179.259 2.040 25927 9640 1 16 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.932 0.284 25927 9641 1 16 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.574 0.659 25927 9642 1 16 . 1 1 87 87 ALA H H 87 8.181 8.181 7.589 0.592 25927 9643 1 16 . 1 1 88 88 LEU N N 88 119.086 119.086 117.965 1.121 25927 9644 1 16 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.079 -0.082 25927 9645 1 16 . 1 1 88 88 LEU C C 88 179.526 179.526 178.255 1.271 25927 9646 1 16 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.169 1.379 25927 9647 1 16 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.465 -0.221 25927 9648 1 16 . 1 1 88 88 LEU H H 88 8.379 8.379 7.517 0.862 25927 9649 1 16 . 1 1 89 89 ASN N N 89 119.429 119.429 118.807 0.622 25927 9650 1 16 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.467 0.100 25927 9651 1 16 . 1 1 89 89 ASN C C 89 177.117 177.117 177.376 -0.259 25927 9652 1 16 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.505 -0.501 25927 9653 1 16 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.037 0.312 25927 9654 1 16 . 1 1 89 89 ASN H H 89 8.271 8.271 8.780 -0.509 25927 9655 1 16 . 1 1 90 90 ARG N N 90 118.735 118.735 117.680 1.055 25927 9656 1 16 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.444 -0.291 25927 9657 1 16 . 1 1 90 90 ARG C C 90 177.836 177.836 177.386 0.450 25927 9658 1 16 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.281 2.293 25927 9659 1 16 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.084 0.146 25927 9660 1 16 . 1 1 90 90 ARG H H 90 8.010 8.010 7.916 0.094 25927 9661 1 16 . 1 1 91 91 ARG N N 91 118.976 118.976 119.038 -0.062 25927 9662 1 16 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.227 -0.018 25927 9663 1 16 . 1 1 91 91 ARG C C 91 177.455 177.455 177.878 -0.423 25927 9664 1 16 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.517 -0.491 25927 9665 1 16 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.053 -0.266 25927 9666 1 16 . 1 1 91 91 ARG H H 91 7.833 7.833 7.722 0.111 25927 9667 1 16 . 1 1 92 92 GLN N N 92 118.834 118.834 113.699 5.135 25927 9668 1 16 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.515 -0.258 25927 9669 1 16 . 1 1 92 92 GLN C C 92 177.362 177.362 177.496 -0.134 25927 9670 1 16 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.813 0.675 25927 9671 1 16 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.704 -1.572 25927 9672 1 16 . 1 1 92 92 GLN H H 92 7.988 7.988 8.143 -0.155 25927 9673 1 16 . 1 1 93 93 ILE N N 93 120.499 120.499 122.477 -1.978 25927 9674 1 16 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.812 0.204 25927 9675 1 16 . 1 1 93 93 ILE C C 93 177.002 177.002 176.761 0.241 25927 9676 1 16 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.792 -1.931 25927 9677 1 16 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.383 1.185 25927 9678 1 16 . 1 1 93 93 ILE H H 93 7.976 7.976 7.838 0.138 25927 9679 1 16 . 1 1 94 94 ASN N N 94 120.172 120.172 119.520 0.652 25927 9680 1 16 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.268 0.371 25927 9681 1 16 . 1 1 94 94 ASN C C 94 176.336 176.336 177.499 -1.163 25927 9682 1 16 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.143 -1.826 25927 9683 1 16 . 1 1 94 94 ASN CB C 94 38.600 38.600 37.146 1.454 25927 9684 1 16 . 1 1 94 94 ASN H H 94 8.272 8.272 8.123 0.149 25927 9685 1 16 . 1 1 95 95 GLN N N 95 120.288 120.288 119.178 1.110 25927 9686 1 16 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.005 0.175 25927 9687 1 16 . 1 1 95 95 GLN C C 95 176.701 176.701 177.391 -0.690 25927 9688 1 16 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.418 -1.239 25927 9689 1 16 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.607 0.389 25927 9690 1 16 . 1 1 95 95 GLN H H 95 8.303 8.303 7.926 0.377 25927 9691 1 16 . 1 1 96 96 ALA N N 96 123.219 123.219 120.545 2.674 25927 9692 1 16 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.394 -0.133 25927 9693 1 16 . 1 1 96 96 ALA C C 96 178.429 178.429 179.881 -1.452 25927 9694 1 16 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.210 -0.778 25927 9695 1 16 . 1 1 96 96 ALA CB C 96 18.773 18.773 19.038 -0.265 25927 9696 1 16 . 1 1 96 96 ALA H H 96 8.112 8.112 7.709 0.403 25927 9697 1 16 . 1 1 97 97 LEU N N 97 119.452 119.452 117.218 2.234 25927 9698 1 16 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.086 0.215 25927 9699 1 16 . 1 1 97 97 LEU C C 97 177.834 177.834 178.054 -0.220 25927 9700 1 16 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.021 -1.275 25927 9701 1 16 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.321 0.969 25927 9702 1 16 . 1 1 97 97 LEU H H 97 7.932 7.932 8.188 -0.256 25927 9703 1 16 . 1 1 98 98 LEU N N 98 121.124 121.124 117.956 3.168 25927 9704 1 16 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.173 0.204 25927 9705 1 16 . 1 1 98 98 LEU C C 98 177.729 177.729 177.187 0.542 25927 9706 1 16 . 1 1 98 98 LEU CA C 98 55.426 55.426 55.752 -0.326 25927 9707 1 16 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.119 0.287 25927 9708 1 16 . 1 1 98 98 LEU H H 98 7.947 7.947 7.532 0.415 25927 9709 1 16 . 1 1 99 99 SER N N 99 115.913 115.913 113.423 2.490 25927 9710 1 16 . 1 1 99 99 SER HA H 99 4.525 4.525 4.040 0.485 25927 9711 1 16 . 1 1 99 99 SER C C 99 174.980 174.980 173.930 1.050 25927 9712 1 16 . 1 1 99 99 SER CA C 99 58.478 58.478 58.656 -0.178 25927 9713 1 16 . 1 1 99 99 SER CB C 99 63.839 63.839 62.043 1.796 25927 9714 1 16 . 1 1 99 99 SER H H 99 8.238 8.238 7.739 0.498 25927 9715 1 16 . 1 1 100 100 THR N N 100 114.610 114.610 116.270 -1.660 25927 9716 1 16 . 1 1 100 100 THR HA H 100 4.361 4.361 4.095 0.266 25927 9717 1 16 . 1 1 100 100 THR C C 100 175.368 175.368 176.719 -1.351 25927 9718 1 16 . 1 1 100 100 THR CA C 100 62.195 62.195 64.775 -2.580 25927 9719 1 16 . 1 1 100 100 THR CB C 100 69.794 69.794 69.010 0.784 25927 9720 1 16 . 1 1 100 100 THR H H 100 8.140 8.140 8.525 -0.385 25927 9721 1 16 . 1 1 101 101 GLY N N 101 110.650 110.650 108.763 1.887 25927 9722 1 16 . 1 1 101 101 GLY C C 101 173.935 173.935 173.927 0.008 25927 9723 1 16 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.701 0.792 25927 9724 1 16 . 1 1 101 101 GLY H H 101 8.353 8.353 8.235 0.118 25927 9725 1 16 . 1 1 102 102 ASP N N 102 120.512 120.512 118.374 2.138 25927 9726 1 16 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.103 0.500 25927 9727 1 16 . 1 1 102 102 ASP C C 102 176.419 176.419 175.209 1.210 25927 9728 1 16 . 1 1 102 102 ASP CA C 102 54.291 54.291 55.467 -1.175 25927 9729 1 16 . 1 1 102 102 ASP CB C 102 41.277 41.277 41.006 0.271 25927 9730 1 16 . 1 1 102 102 ASP H H 102 8.204 8.204 7.758 0.446 25927 9731 1 16 . 1 1 103 103 LEU N N 103 122.331 122.331 120.481 1.850 25927 9732 1 16 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.199 0.059 25927 9733 1 16 . 1 1 103 103 LEU C C 103 177.394 177.394 176.259 1.135 25927 9734 1 16 . 1 1 103 103 LEU CA C 103 55.528 55.528 56.372 -0.844 25927 9735 1 16 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.049 0.179 25927 9736 1 16 . 1 1 103 103 LEU H H 103 8.170 8.170 8.020 0.150 25927 9737 1 16 . 1 1 104 104 ALA N N 104 123.139 123.139 127.363 -4.224 25927 9738 1 16 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.324 -0.124 25927 9739 1 16 . 1 1 104 104 ALA C C 104 177.730 177.730 176.263 1.467 25927 9740 1 16 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.111 0.663 25927 9741 1 16 . 1 1 104 104 ALA CB C 104 19.005 19.005 18.520 0.485 25927 9742 1 16 . 1 1 104 104 ALA H H 104 8.150 8.150 8.482 -0.332 25927 9743 1 16 . 1 1 105 105 HIS N N 105 117.105 117.105 118.393 -1.288 25927 9744 1 16 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.750 -0.109 25927 9745 1 16 . 1 1 105 105 HIS C C 105 174.414 174.414 174.187 0.227 25927 9746 1 16 . 1 1 105 105 HIS CA C 105 55.520 55.520 56.548 -1.028 25927 9747 1 16 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.911 -1.633 25927 9748 1 16 . 1 1 105 105 HIS H H 105 8.239 8.239 8.273 -0.034 25927 9749 1 16 . 1 1 106 106 ASP N N 106 121.315 121.315 119.868 1.447 25927 9750 1 16 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.638 -0.035 25927 9751 1 16 . 1 1 106 106 ASP C C 106 176.370 176.370 176.052 0.318 25927 9752 1 16 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.249 0.070 25927 9753 1 16 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.484 0.930 25927 9754 1 16 . 1 1 106 106 ASP H H 106 8.298 8.298 8.134 0.164 25927 9755 1 16 . 1 1 107 107 GLU N N 107 121.228 121.228 121.888 -0.660 25927 9756 1 16 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.036 0.072 25927 9757 1 16 . 1 1 107 107 GLU C C 107 176.248 176.248 176.479 -0.231 25927 9758 1 16 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.612 -0.420 25927 9759 1 16 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.027 0.067 25927 9760 1 16 . 1 1 107 107 GLU H H 107 8.536 8.536 8.820 -0.284 25927 9761 1 17 . 1 1 2 2 VAL N N 2 119.413 119.413 119.377 0.036 25927 9762 1 17 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.280 -0.148 25927 9763 1 17 . 1 1 2 2 VAL C C 2 175.957 175.957 175.352 0.605 25927 9764 1 17 . 1 1 2 2 VAL CA C 2 62.517 62.517 61.717 0.800 25927 9765 1 17 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.968 -1.292 25927 9766 1 17 . 1 1 2 2 VAL H H 2 8.453 8.453 8.222 0.231 25927 9767 1 17 . 1 1 3 3 GLU N N 3 125.255 125.255 123.256 1.999 25927 9768 1 17 . 1 1 3 3 GLU HA H 3 4.348 4.348 3.982 0.366 25927 9769 1 17 . 1 1 3 3 GLU C C 3 176.154 176.154 175.023 1.131 25927 9770 1 17 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.530 -0.061 25927 9771 1 17 . 1 1 3 3 GLU CB C 3 30.382 30.382 29.388 0.994 25927 9772 1 17 . 1 1 3 3 GLU H H 3 8.587 8.587 8.612 -0.025 25927 9773 1 17 . 1 1 4 4 VAL N N 4 121.132 121.132 119.429 1.703 25927 9774 1 17 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.154 -0.033 25927 9775 1 17 . 1 1 4 4 VAL C C 4 175.762 175.762 176.969 -1.207 25927 9776 1 17 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.860 0.168 25927 9777 1 17 . 1 1 4 4 VAL CB C 4 33.056 33.056 33.483 -0.427 25927 9778 1 17 . 1 1 4 4 VAL H H 4 8.172 8.172 7.740 0.432 25927 9779 1 17 . 1 1 5 5 GLU N N 5 125.223 125.223 126.415 -1.192 25927 9780 1 17 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.150 0.174 25927 9781 1 17 . 1 1 5 5 GLU C C 5 176.006 176.006 175.789 0.217 25927 9782 1 17 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.817 -0.428 25927 9783 1 17 . 1 1 5 5 GLU CB C 5 30.419 30.419 27.212 3.207 25927 9784 1 17 . 1 1 5 5 GLU H H 5 8.472 8.472 8.809 -0.337 25927 9785 1 17 . 1 1 6 6 VAL N N 6 123.435 123.435 121.333 2.102 25927 9786 1 17 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.937 0.499 25927 9787 1 17 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.944 -5.198 25927 9788 1 17 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.530 2.208 25927 9789 1 17 . 1 1 6 6 VAL H H 6 8.288 8.288 8.151 0.137 25927 9790 1 17 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.598 -0.162 25927 9791 1 17 . 1 1 7 7 PRO C C 7 177.461 177.461 176.450 1.011 25927 9792 1 17 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.325 1.020 25927 9793 1 17 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.797 -0.493 25927 9794 1 17 . 1 1 8 8 GLY N N 8 108.925 108.925 106.375 2.550 25927 9795 1 17 . 1 1 8 8 GLY C C 8 173.995 173.995 173.287 0.708 25927 9796 1 17 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.906 0.520 25927 9797 1 17 . 1 1 8 8 GLY H H 8 8.334 8.334 8.201 0.133 25927 9798 1 17 . 1 1 9 9 LEU N N 9 121.559 121.559 121.026 0.533 25927 9799 1 17 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.748 -0.289 25927 9800 1 17 . 1 1 9 9 LEU C C 9 176.870 176.870 175.750 1.120 25927 9801 1 17 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.407 1.214 25927 9802 1 17 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.222 0.826 25927 9803 1 17 . 1 1 9 9 LEU H H 9 8.150 8.150 8.447 -0.297 25927 9804 1 17 . 1 1 10 10 LEU N N 10 122.690 122.690 122.532 0.158 25927 9805 1 17 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.404 0.757 25927 9806 1 17 . 1 1 10 10 LEU C C 10 177.427 177.427 177.133 0.294 25927 9807 1 17 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.751 -1.889 25927 9808 1 17 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.865 1.782 25927 9809 1 17 . 1 1 10 10 LEU H H 10 8.348 8.348 7.737 0.611 25927 9810 1 17 . 1 1 11 11 THR N N 11 124.118 124.118 119.020 5.098 25927 9811 1 17 . 1 1 11 11 THR HA H 11 4.295 4.295 4.425 -0.130 25927 9812 1 17 . 1 1 11 11 THR C C 11 172.853 172.853 173.882 -1.029 25927 9813 1 17 . 1 1 11 11 THR CA C 11 63.577 63.577 60.898 2.679 25927 9814 1 17 . 1 1 11 11 THR CB C 11 69.325 69.325 71.434 -2.109 25927 9815 1 17 . 1 1 11 11 THR H H 11 9.186 9.186 7.999 1.187 25927 9816 1 17 . 1 1 12 12 ASP N N 12 127.226 127.226 125.419 1.807 25927 9817 1 17 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.764 0.533 25927 9818 1 17 . 1 1 12 12 ASP C C 12 176.060 176.060 175.848 0.212 25927 9819 1 17 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.586 0.193 25927 9820 1 17 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.992 1.052 25927 9821 1 17 . 1 1 12 12 ASP H H 12 8.880 8.880 8.398 0.482 25927 9822 1 17 . 1 1 13 13 HIS N N 13 127.146 127.146 121.986 5.160 25927 9823 1 17 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.487 0.821 25927 9824 1 17 . 1 1 13 13 HIS C C 13 175.365 175.365 173.863 1.502 25927 9825 1 17 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.517 -2.359 25927 9826 1 17 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.798 1.156 25927 9827 1 17 . 1 1 13 13 HIS H H 13 8.867 8.867 7.916 0.951 25927 9828 1 17 . 1 1 14 14 THR N N 14 112.885 112.885 110.124 2.761 25927 9829 1 17 . 1 1 14 14 THR HA H 14 4.522 4.522 4.642 -0.120 25927 9830 1 17 . 1 1 14 14 THR C C 14 174.626 174.626 174.342 0.284 25927 9831 1 17 . 1 1 14 14 THR CA C 14 63.245 63.245 60.645 2.600 25927 9832 1 17 . 1 1 14 14 THR CB C 14 70.178 70.178 70.969 -0.791 25927 9833 1 17 . 1 1 14 14 THR H H 14 8.583 8.583 7.706 0.877 25927 9834 1 17 . 1 1 15 15 VAL N N 15 113.207 113.207 120.110 -6.903 25927 9835 1 17 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.564 0.081 25927 9836 1 17 . 1 1 15 15 VAL C C 15 175.216 175.216 174.476 0.740 25927 9837 1 17 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.279 0.984 25927 9838 1 17 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.773 2.607 25927 9839 1 17 . 1 1 15 15 VAL H H 15 9.104 9.104 8.317 0.787 25927 9840 1 17 . 1 1 16 16 SER N N 16 122.970 122.970 115.047 7.923 25927 9841 1 17 . 1 1 16 16 SER HA H 16 4.196 4.196 4.706 -0.510 25927 9842 1 17 . 1 1 16 16 SER C C 16 174.515 174.515 175.723 -1.208 25927 9843 1 17 . 1 1 16 16 SER CA C 16 57.126 57.126 55.822 1.304 25927 9844 1 17 . 1 1 16 16 SER CB C 16 67.073 67.073 65.374 1.699 25927 9845 1 17 . 1 1 16 16 SER H H 16 9.340 9.340 7.687 1.653 25927 9846 1 17 . 1 1 17 17 SER N N 17 116.643 116.643 122.248 -5.605 25927 9847 1 17 . 1 1 17 17 SER HA H 17 4.157 4.157 4.303 -0.146 25927 9848 1 17 . 1 1 17 17 SER C C 17 176.576 176.576 175.731 0.845 25927 9849 1 17 . 1 1 17 17 SER CA C 17 62.451 62.451 61.538 0.913 25927 9850 1 17 . 1 1 17 17 SER CB C 17 62.539 62.539 63.032 -0.493 25927 9851 1 17 . 1 1 17 17 SER H H 17 8.926 8.926 8.917 0.009 25927 9852 1 17 . 1 1 18 18 ILE N N 18 120.198 120.198 114.580 5.618 25927 9853 1 17 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.359 -0.288 25927 9854 1 17 . 1 1 18 18 ILE C C 18 177.925 177.925 177.602 0.323 25927 9855 1 17 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.605 1.776 25927 9856 1 17 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.240 -0.660 25927 9857 1 17 . 1 1 18 18 ILE H H 18 7.848 7.848 7.561 0.287 25927 9858 1 17 . 1 1 19 19 GLY N N 19 111.905 111.905 108.903 3.002 25927 9859 1 17 . 1 1 19 19 GLY C C 19 176.153 176.153 175.867 0.286 25927 9860 1 17 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.332 -0.492 25927 9861 1 17 . 1 1 19 19 GLY H H 19 7.921 7.921 8.178 -0.257 25927 9862 1 17 . 1 1 20 20 HIS N N 20 120.808 120.808 121.211 -0.403 25927 9863 1 17 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.585 0.177 25927 9864 1 17 . 1 1 20 20 HIS C C 20 178.606 178.606 177.134 1.472 25927 9865 1 17 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.392 -1.534 25927 9866 1 17 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.236 -2.521 25927 9867 1 17 . 1 1 20 20 HIS H H 20 8.842 8.842 8.588 0.254 25927 9868 1 17 . 1 1 21 21 ASP N N 21 121.572 121.572 119.636 1.936 25927 9869 1 17 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.460 0.074 25927 9870 1 17 . 1 1 21 21 ASP C C 21 179.630 179.630 178.598 1.032 25927 9871 1 17 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.083 0.422 25927 9872 1 17 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.317 -0.552 25927 9873 1 17 . 1 1 21 21 ASP H H 21 8.592 8.592 7.715 0.877 25927 9874 1 17 . 1 1 22 22 PHE N N 22 123.889 123.889 122.607 1.282 25927 9875 1 17 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.106 -0.011 25927 9876 1 17 . 1 1 22 22 PHE C C 22 175.647 175.647 176.686 -1.039 25927 9877 1 17 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.167 0.761 25927 9878 1 17 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.332 -0.185 25927 9879 1 17 . 1 1 22 22 PHE H H 22 8.790 8.790 8.966 -0.176 25927 9880 1 17 . 1 1 23 23 TYR N N 23 119.855 119.855 120.105 -0.250 25927 9881 1 17 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.963 -0.182 25927 9882 1 17 . 1 1 23 23 TYR C C 23 177.585 177.585 177.323 0.262 25927 9883 1 17 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.927 0.046 25927 9884 1 17 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.486 -0.107 25927 9885 1 17 . 1 1 23 23 TYR H H 23 9.008 9.008 7.954 1.054 25927 9886 1 17 . 1 1 24 24 ARG N N 24 120.673 120.673 118.372 2.301 25927 9887 1 17 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.817 -0.099 25927 9888 1 17 . 1 1 24 24 ARG C C 24 177.149 177.149 178.709 -1.560 25927 9889 1 17 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.161 0.199 25927 9890 1 17 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.252 0.183 25927 9891 1 17 . 1 1 24 24 ARG H H 24 8.576 8.576 7.598 0.978 25927 9892 1 17 . 1 1 25 25 ALA N N 25 120.718 120.718 122.727 -2.009 25927 9893 1 17 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.098 0.013 25927 9894 1 17 . 1 1 25 25 ALA C C 25 179.502 179.502 179.059 0.443 25927 9895 1 17 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.813 -0.003 25927 9896 1 17 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.568 0.822 25927 9897 1 17 . 1 1 25 25 ALA H H 25 8.080 8.080 8.393 -0.313 25927 9898 1 17 . 1 1 26 26 PHE N N 26 118.193 118.193 119.167 -0.974 25927 9899 1 17 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.825 -0.327 25927 9900 1 17 . 1 1 26 26 PHE C C 26 177.120 177.120 176.827 0.293 25927 9901 1 17 . 1 1 26 26 PHE CA C 26 61.297 61.297 61.140 0.157 25927 9902 1 17 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.215 0.692 25927 9903 1 17 . 1 1 26 26 PHE H H 26 8.467 8.467 8.219 0.248 25927 9904 1 17 . 1 1 27 27 SER N N 27 112.572 112.572 113.854 -1.282 25927 9905 1 17 . 1 1 27 27 SER HA H 27 3.845 3.845 4.239 -0.394 25927 9906 1 17 . 1 1 27 27 SER C C 27 176.828 176.828 176.439 0.389 25927 9907 1 17 . 1 1 27 27 SER CA C 27 61.656 61.656 61.023 0.633 25927 9908 1 17 . 1 1 27 27 SER CB C 27 62.952 62.952 62.832 0.120 25927 9909 1 17 . 1 1 27 27 SER H H 27 8.477 8.477 8.018 0.459 25927 9910 1 17 . 1 1 28 28 ASP N N 28 119.022 119.022 121.536 -2.514 25927 9911 1 17 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.491 -0.067 25927 9912 1 17 . 1 1 28 28 ASP C C 28 177.325 177.325 177.342 -0.017 25927 9913 1 17 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.401 0.256 25927 9914 1 17 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.944 0.330 25927 9915 1 17 . 1 1 28 28 ASP H H 28 8.019 8.019 8.060 -0.041 25927 9916 1 17 . 1 1 29 29 LYS N N 29 115.330 115.330 115.656 -0.326 25927 9917 1 17 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.372 -0.013 25927 9918 1 17 . 1 1 29 29 LYS C C 29 175.910 175.910 176.353 -0.443 25927 9919 1 17 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.322 -0.158 25927 9920 1 17 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.665 2.645 25927 9921 1 17 . 1 1 29 29 LYS H H 29 6.910 6.910 7.532 -0.622 25927 9922 1 17 . 1 1 30 30 TRP N N 30 122.847 122.847 123.624 -0.777 25927 9923 1 17 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.094 0.083 25927 9924 1 17 . 1 1 30 30 TRP C C 30 175.188 175.188 175.097 0.091 25927 9925 1 17 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.786 -0.745 25927 9926 1 17 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.595 0.325 25927 9927 1 17 . 1 1 30 30 TRP H H 30 7.638 7.638 7.579 0.059 25927 9928 1 17 . 1 1 31 31 GLU N N 31 128.182 128.182 126.058 2.124 25927 9929 1 17 . 1 1 31 31 GLU HA H 31 4.159 4.159 3.943 0.216 25927 9930 1 17 . 1 1 31 31 GLU C C 31 173.960 173.960 173.374 0.586 25927 9931 1 17 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.499 -0.385 25927 9932 1 17 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.124 -0.041 25927 9933 1 17 . 1 1 31 31 GLU H H 31 7.426 7.426 7.355 0.071 25927 9934 1 17 . 1 1 32 32 SER N N 32 115.672 115.672 117.155 -1.483 25927 9935 1 17 . 1 1 32 32 SER HA H 32 4.100 4.100 4.624 -0.524 25927 9936 1 17 . 1 1 32 32 SER C C 32 173.864 173.864 173.509 0.355 25927 9937 1 17 . 1 1 32 32 SER CA C 32 57.344 57.344 57.653 -0.309 25927 9938 1 17 . 1 1 32 32 SER CB C 32 64.220 64.220 65.190 -0.970 25927 9939 1 17 . 1 1 32 32 SER H H 32 7.276 7.276 7.974 -0.698 25927 9940 1 17 . 1 1 33 33 ASP N N 33 123.759 123.759 121.800 1.959 25927 9941 1 17 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.656 -0.033 25927 9942 1 17 . 1 1 33 33 ASP C C 33 176.175 176.175 176.357 -0.182 25927 9943 1 17 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.767 -0.638 25927 9944 1 17 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.208 -0.598 25927 9945 1 17 . 1 1 33 33 ASP H H 33 8.429 8.429 8.654 -0.225 25927 9946 1 17 . 1 1 34 34 TYR N N 34 122.283 122.283 118.454 3.829 25927 9947 1 17 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.661 -0.087 25927 9948 1 17 . 1 1 34 34 TYR C C 34 177.025 177.025 176.350 0.675 25927 9949 1 17 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.360 1.457 25927 9950 1 17 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.452 -0.318 25927 9951 1 17 . 1 1 34 34 TYR H H 34 8.649 8.649 7.727 0.922 25927 9952 1 17 . 1 1 35 35 THR N N 35 116.852 116.852 112.946 3.906 25927 9953 1 17 . 1 1 35 35 THR HA H 35 4.311 4.311 4.115 0.196 25927 9954 1 17 . 1 1 35 35 THR C C 35 174.704 174.704 174.344 0.360 25927 9955 1 17 . 1 1 35 35 THR CA C 35 61.364 61.364 62.792 -1.428 25927 9956 1 17 . 1 1 35 35 THR CB C 35 69.454 69.454 68.782 0.672 25927 9957 1 17 . 1 1 35 35 THR H H 35 8.067 8.067 8.491 -0.424 25927 9958 1 17 . 1 1 36 36 GLY N N 36 107.698 107.698 107.507 0.191 25927 9959 1 17 . 1 1 36 36 GLY C C 36 171.455 171.455 174.224 -2.769 25927 9960 1 17 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.081 -0.563 25927 9961 1 17 . 1 1 36 36 GLY H H 36 5.732 5.732 6.609 -0.877 25927 9962 1 17 . 1 1 37 37 ASN N N 37 117.424 117.424 118.930 -1.506 25927 9963 1 17 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.711 0.274 25927 9964 1 17 . 1 1 37 37 ASN C C 37 175.393 175.393 173.681 1.712 25927 9965 1 17 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.291 0.542 25927 9966 1 17 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.228 3.285 25927 9967 1 17 . 1 1 37 37 ASN H H 37 8.346 8.346 8.516 -0.170 25927 9968 1 17 . 1 1 38 38 LEU N N 38 126.809 126.809 118.483 8.326 25927 9969 1 17 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.632 -0.634 25927 9970 1 17 . 1 1 38 38 LEU C C 38 175.770 175.770 175.334 0.436 25927 9971 1 17 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.842 2.172 25927 9972 1 17 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.559 -0.493 25927 9973 1 17 . 1 1 38 38 LEU H H 38 8.469 8.469 7.791 0.678 25927 9974 1 17 . 1 1 39 39 THR N N 39 119.369 119.369 114.239 5.130 25927 9975 1 17 . 1 1 39 39 THR HA H 39 4.799 4.799 4.918 -0.119 25927 9976 1 17 . 1 1 39 39 THR C C 39 172.224 172.224 172.693 -0.469 25927 9977 1 17 . 1 1 39 39 THR CA C 39 61.958 61.958 60.529 1.429 25927 9978 1 17 . 1 1 39 39 THR CB C 39 70.327 70.327 72.124 -1.797 25927 9979 1 17 . 1 1 39 39 THR H H 39 8.849 8.849 8.901 -0.052 25927 9980 1 17 . 1 1 40 40 ILE N N 40 125.490 125.490 123.861 1.629 25927 9981 1 17 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.352 0.168 25927 9982 1 17 . 1 1 40 40 ILE C C 40 173.125 173.125 173.727 -0.602 25927 9983 1 17 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.374 0.806 25927 9984 1 17 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.113 -2.663 25927 9985 1 17 . 1 1 40 40 ILE H H 40 8.562 8.562 7.935 0.627 25927 9986 1 17 . 1 1 41 41 ASN N N 41 124.656 124.656 124.099 0.557 25927 9987 1 17 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.693 -0.793 25927 9988 1 17 . 1 1 41 41 ASN C C 41 173.445 173.445 174.036 -0.591 25927 9989 1 17 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.573 0.506 25927 9990 1 17 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.374 -0.258 25927 9991 1 17 . 1 1 41 41 ASN H H 41 9.173 9.173 8.795 0.378 25927 9992 1 17 . 1 1 42 42 GLU N N 42 120.095 120.095 121.278 -1.183 25927 9993 1 17 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.320 0.065 25927 9994 1 17 . 1 1 42 42 GLU C C 42 173.971 173.971 175.367 -1.396 25927 9995 1 17 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.721 -0.591 25927 9996 1 17 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.266 2.192 25927 9997 1 17 . 1 1 42 42 GLU H H 42 7.741 7.741 8.230 -0.489 25927 9998 1 17 . 1 1 43 43 ARG N N 43 127.178 127.178 121.601 5.577 25927 9999 1 17 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.782 0.251 25927 10000 1 17 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.264 0.431 25927 10001 1 17 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.025 0.463 25927 10002 1 17 . 1 1 43 43 ARG H H 43 9.039 9.039 8.727 0.312 25927 10003 1 17 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.614 0.113 25927 10004 1 17 . 1 1 44 44 PRO C C 44 176.335 176.335 176.126 0.209 25927 10005 1 17 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.812 0.530 25927 10006 1 17 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.189 0.485 25927 10007 1 17 . 1 1 45 45 SER N N 45 117.089 117.089 122.666 -5.577 25927 10008 1 17 . 1 1 45 45 SER HA H 45 4.837 4.837 4.732 0.105 25927 10009 1 17 . 1 1 45 45 SER C C 45 174.334 174.334 174.545 -0.211 25927 10010 1 17 . 1 1 45 45 SER CA C 45 56.688 56.688 57.533 -0.846 25927 10011 1 17 . 1 1 45 45 SER CB C 45 64.628 64.628 64.535 0.093 25927 10012 1 17 . 1 1 45 45 SER H H 45 8.497 8.497 8.931 -0.434 25927 10013 1 17 . 1 1 46 46 ALA N N 46 126.901 126.901 127.863 -0.962 25927 10014 1 17 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.067 0.155 25927 10015 1 17 . 1 1 46 46 ALA C C 46 178.171 178.171 178.524 -0.353 25927 10016 1 17 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.227 -0.139 25927 10017 1 17 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.965 -0.374 25927 10018 1 17 . 1 1 46 46 ALA H H 46 8.780 8.780 8.720 0.060 25927 10019 1 17 . 1 1 47 47 ARG N N 47 117.860 117.860 117.204 0.656 25927 10020 1 17 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.156 0.254 25927 10021 1 17 . 1 1 47 47 ARG C C 47 175.674 175.674 176.562 -0.888 25927 10022 1 17 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.115 -1.863 25927 10023 1 17 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.641 0.945 25927 10024 1 17 . 1 1 47 47 ARG H H 47 8.381 8.381 8.042 0.339 25927 10025 1 17 . 1 1 48 48 ALA N N 48 121.099 121.099 117.452 3.647 25927 10026 1 17 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.630 -0.211 25927 10027 1 17 . 1 1 48 48 ALA C C 48 176.874 176.874 175.997 0.877 25927 10028 1 17 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.257 1.011 25927 10029 1 17 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.663 -1.882 25927 10030 1 17 . 1 1 48 48 ALA H H 48 8.012 8.012 8.184 -0.172 25927 10031 1 17 . 1 1 49 49 GLY N N 49 106.126 106.126 107.313 -1.187 25927 10032 1 17 . 1 1 49 49 GLY C C 49 172.803 172.803 172.101 0.702 25927 10033 1 17 . 1 1 49 49 GLY CA C 49 44.490 44.490 46.148 -1.658 25927 10034 1 17 . 1 1 49 49 GLY H H 49 7.946 7.946 8.584 -0.638 25927 10035 1 17 . 1 1 50 50 SER N N 50 113.972 113.972 116.168 -2.196 25927 10036 1 17 . 1 1 50 50 SER HA H 50 4.736 4.736 5.159 -0.423 25927 10037 1 17 . 1 1 50 50 SER C C 50 171.367 171.367 172.609 -1.242 25927 10038 1 17 . 1 1 50 50 SER CA C 50 57.165 57.165 56.198 0.967 25927 10039 1 17 . 1 1 50 50 SER CB C 50 66.797 66.797 66.265 0.532 25927 10040 1 17 . 1 1 50 50 SER H H 50 7.631 7.631 8.157 -0.526 25927 10041 1 17 . 1 1 51 51 TRP N N 51 121.787 121.787 123.394 -1.607 25927 10042 1 17 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.203 0.653 25927 10043 1 17 . 1 1 51 51 TRP C C 51 176.055 176.055 175.795 0.260 25927 10044 1 17 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.253 -0.460 25927 10045 1 17 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.517 0.017 25927 10046 1 17 . 1 1 51 51 TRP H H 51 8.588 8.588 8.609 -0.021 25927 10047 1 17 . 1 1 52 52 ILE N N 52 126.898 126.898 124.826 2.072 25927 10048 1 17 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.814 0.257 25927 10049 1 17 . 1 1 52 52 ILE C C 52 175.754 175.754 175.122 0.632 25927 10050 1 17 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.534 -1.801 25927 10051 1 17 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.234 0.121 25927 10052 1 17 . 1 1 52 52 ILE H H 52 8.963 8.963 9.077 -0.114 25927 10053 1 17 . 1 1 53 53 THR N N 53 116.271 116.271 123.683 -7.412 25927 10054 1 17 . 1 1 53 53 THR HA H 53 5.095 5.095 4.778 0.317 25927 10055 1 17 . 1 1 53 53 THR C C 53 173.382 173.382 172.850 0.532 25927 10056 1 17 . 1 1 53 53 THR CA C 53 59.290 59.290 61.770 -2.480 25927 10057 1 17 . 1 1 53 53 THR CB C 53 71.819 71.819 70.864 0.955 25927 10058 1 17 . 1 1 53 53 THR H H 53 8.371 8.371 9.138 -0.767 25927 10059 1 17 . 1 1 54 54 ILE N N 54 124.947 124.947 129.720 -4.773 25927 10060 1 17 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.070 0.113 25927 10061 1 17 . 1 1 54 54 ILE C C 54 175.952 175.952 173.895 2.057 25927 10062 1 17 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.357 2.237 25927 10063 1 17 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.790 -2.173 25927 10064 1 17 . 1 1 54 54 ILE H H 54 9.056 9.056 9.033 0.023 25927 10065 1 17 . 1 1 55 55 THR N N 55 118.298 118.298 123.095 -4.797 25927 10066 1 17 . 1 1 55 55 THR HA H 55 5.458 5.458 5.116 0.342 25927 10067 1 17 . 1 1 55 55 THR C C 55 173.980 173.980 173.550 0.430 25927 10068 1 17 . 1 1 55 55 THR CA C 55 58.717 58.717 59.766 -1.048 25927 10069 1 17 . 1 1 55 55 THR CB C 55 71.839 71.839 71.057 0.782 25927 10070 1 17 . 1 1 55 55 THR H H 55 9.250 9.250 8.901 0.349 25927 10071 1 17 . 1 1 56 56 VAL N N 56 120.047 120.047 125.951 -5.904 25927 10072 1 17 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.708 -0.288 25927 10073 1 17 . 1 1 56 56 VAL C C 56 176.226 176.226 176.515 -0.289 25927 10074 1 17 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.669 -0.628 25927 10075 1 17 . 1 1 56 56 VAL CB C 56 33.761 33.761 32.022 1.739 25927 10076 1 17 . 1 1 56 56 VAL H H 56 8.435 8.435 8.804 -0.369 25927 10077 1 17 . 1 1 57 57 ASN N N 57 125.479 125.479 126.834 -1.355 25927 10078 1 17 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.260 -0.065 25927 10079 1 17 . 1 1 57 57 ASN C C 57 175.026 175.026 175.569 -0.543 25927 10080 1 17 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.569 -0.873 25927 10081 1 17 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.340 -0.341 25927 10082 1 17 . 1 1 57 57 ASN H H 57 9.199 9.199 9.363 -0.164 25927 10083 1 17 . 1 1 58 58 GLN N N 58 116.897 116.897 116.276 0.621 25927 10084 1 17 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.482 -0.296 25927 10085 1 17 . 1 1 58 58 GLN C C 58 175.237 175.237 174.775 0.462 25927 10086 1 17 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.491 1.348 25927 10087 1 17 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.059 -2.476 25927 10088 1 17 . 1 1 58 58 GLN H H 58 8.576 8.576 8.246 0.330 25927 10089 1 17 . 1 1 59 59 ASP N N 59 122.465 122.465 122.829 -0.364 25927 10090 1 17 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.891 -0.175 25927 10091 1 17 . 1 1 59 59 ASP C C 59 175.302 175.302 174.490 0.812 25927 10092 1 17 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.720 0.413 25927 10093 1 17 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.109 -2.656 25927 10094 1 17 . 1 1 59 59 ASP H H 59 8.343 8.343 8.239 0.104 25927 10095 1 17 . 1 1 60 60 VAL N N 60 124.577 124.577 123.556 1.021 25927 10096 1 17 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.138 -0.261 25927 10097 1 17 . 1 1 60 60 VAL C C 60 176.802 176.802 175.539 1.263 25927 10098 1 17 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.953 0.828 25927 10099 1 17 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.733 -0.999 25927 10100 1 17 . 1 1 60 60 VAL H H 60 8.754 8.754 8.735 0.019 25927 10101 1 17 . 1 1 61 61 ILE N N 61 123.852 123.852 124.458 -0.606 25927 10102 1 17 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.567 -0.048 25927 10103 1 17 . 1 1 61 61 ILE C C 61 175.073 175.073 175.150 -0.077 25927 10104 1 17 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.238 -0.639 25927 10105 1 17 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.198 -1.228 25927 10106 1 17 . 1 1 61 61 ILE H H 61 8.984 8.984 8.079 0.905 25927 10107 1 17 . 1 1 62 62 PHE N N 62 119.927 119.927 121.030 -1.103 25927 10108 1 17 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.868 -0.222 25927 10109 1 17 . 1 1 62 62 PHE C C 62 171.958 171.958 172.758 -0.800 25927 10110 1 17 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.111 1.260 25927 10111 1 17 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.774 0.036 25927 10112 1 17 . 1 1 62 62 PHE H H 62 7.557 7.557 7.605 -0.048 25927 10113 1 17 . 1 1 63 63 GLN N N 63 125.524 125.524 122.687 2.837 25927 10114 1 17 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.794 0.315 25927 10115 1 17 . 1 1 63 63 GLN C C 63 172.837 172.837 173.547 -0.710 25927 10116 1 17 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.893 -0.131 25927 10117 1 17 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.780 -0.100 25927 10118 1 17 . 1 1 63 63 GLN H H 63 7.389 7.389 7.694 -0.305 25927 10119 1 17 . 1 1 64 64 THR N N 64 115.981 115.981 114.180 1.801 25927 10120 1 17 . 1 1 64 64 THR HA H 64 4.428 4.428 4.501 -0.073 25927 10121 1 17 . 1 1 64 64 THR C C 64 169.980 169.980 171.847 -1.867 25927 10122 1 17 . 1 1 64 64 THR CA C 64 60.555 60.555 60.856 -0.301 25927 10123 1 17 . 1 1 64 64 THR CB C 64 69.083 69.083 71.011 -1.928 25927 10124 1 17 . 1 1 64 64 THR H H 64 8.588 8.588 8.647 -0.059 25927 10125 1 17 . 1 1 65 65 PHE N N 65 125.997 125.997 123.403 2.594 25927 10126 1 17 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.555 -0.141 25927 10127 1 17 . 1 1 65 65 PHE C C 65 173.940 173.940 174.199 -0.259 25927 10128 1 17 . 1 1 65 65 PHE CA C 65 57.250 57.250 56.712 0.538 25927 10129 1 17 . 1 1 65 65 PHE CB C 65 40.713 40.713 39.980 0.733 25927 10130 1 17 . 1 1 65 65 PHE H H 65 8.054 8.054 8.182 -0.128 25927 10131 1 17 . 1 1 66 66 LEU N N 66 127.935 127.935 125.888 2.047 25927 10132 1 17 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.386 0.066 25927 10133 1 17 . 1 1 66 66 LEU C C 66 174.502 174.502 174.915 -0.413 25927 10134 1 17 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.393 -0.784 25927 10135 1 17 . 1 1 66 66 LEU H H 66 8.383 8.383 8.562 -0.179 25927 10136 1 17 . 1 1 67 67 PHE N N 67 123.162 123.162 119.744 3.418 25927 10137 1 17 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.429 -0.805 25927 10138 1 17 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.663 -1.536 25927 10139 1 17 . 1 1 67 67 PHE H H 67 8.285 8.285 8.995 -0.710 25927 10140 1 17 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.504 -0.057 25927 10141 1 17 . 1 1 68 68 PRO C C 68 175.918 175.918 177.148 -1.230 25927 10142 1 17 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.042 -2.419 25927 10143 1 17 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.311 -0.090 25927 10144 1 17 . 1 1 69 69 LEU N N 69 121.360 121.360 118.711 2.649 25927 10145 1 17 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.480 -0.286 25927 10146 1 17 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.186 0.065 25927 10147 1 17 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.092 -1.415 25927 10148 1 17 . 1 1 69 69 LEU H H 69 8.300 8.300 8.217 0.083 25927 10149 1 17 . 1 1 70 70 LYS N N 70 123.012 123.012 119.677 3.335 25927 10150 1 17 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.918 -0.218 25927 10151 1 17 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.695 -3.975 25927 10152 1 17 . 1 1 70 70 LYS H H 70 8.156 8.156 7.608 0.548 25927 10153 1 17 . 1 1 71 71 ARG N N 71 125.250 125.250 123.543 1.707 25927 10154 1 17 . 1 1 71 71 ARG C C 71 179.581 179.581 176.198 3.383 25927 10155 1 17 . 1 1 71 71 ARG CA C 71 57.218 57.218 57.017 0.201 25927 10156 1 17 . 1 1 71 71 ARG H H 71 8.279 8.279 8.918 -0.639 25927 10157 1 17 . 1 1 72 72 ASP N N 72 119.355 119.355 119.566 -0.211 25927 10158 1 17 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.606 0.140 25927 10159 1 17 . 1 1 72 72 ASP C C 72 177.124 177.124 176.962 0.162 25927 10160 1 17 . 1 1 72 72 ASP CA C 72 55.673 55.673 53.940 1.733 25927 10161 1 17 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.101 -0.054 25927 10162 1 17 . 1 1 72 72 ASP H H 72 8.182 8.182 8.187 -0.005 25927 10163 1 17 . 1 1 73 73 PHE N N 73 122.846 122.846 121.737 1.109 25927 10164 1 17 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.095 0.035 25927 10165 1 17 . 1 1 73 73 PHE C C 73 176.729 176.729 176.794 -0.065 25927 10166 1 17 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.551 0.471 25927 10167 1 17 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.412 0.792 25927 10168 1 17 . 1 1 73 73 PHE H H 73 8.197 8.197 7.945 0.252 25927 10169 1 17 . 1 1 74 74 GLU N N 74 118.652 118.652 118.523 0.129 25927 10170 1 17 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.899 -0.055 25927 10171 1 17 . 1 1 74 74 GLU C C 74 179.310 179.310 178.669 0.641 25927 10172 1 17 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.739 0.912 25927 10173 1 17 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.363 -0.713 25927 10174 1 17 . 1 1 74 74 GLU H H 74 9.098 9.098 9.149 -0.051 25927 10175 1 17 . 1 1 75 75 LYS N N 75 117.836 117.836 119.270 -1.434 25927 10176 1 17 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.121 -0.042 25927 10177 1 17 . 1 1 75 75 LYS C C 75 179.312 179.312 179.286 0.026 25927 10178 1 17 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.296 -0.016 25927 10179 1 17 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.230 0.113 25927 10180 1 17 . 1 1 75 75 LYS H H 75 8.078 8.078 7.708 0.370 25927 10181 1 17 . 1 1 76 76 THR N N 76 118.581 118.581 117.883 0.698 25927 10182 1 17 . 1 1 76 76 THR HA H 76 4.168 4.168 4.110 0.058 25927 10183 1 17 . 1 1 76 76 THR C C 76 175.873 175.873 176.748 -0.875 25927 10184 1 17 . 1 1 76 76 THR CA C 76 67.009 67.009 67.012 -0.003 25927 10185 1 17 . 1 1 76 76 THR CB C 76 68.404 68.404 68.517 -0.114 25927 10186 1 17 . 1 1 76 76 THR H H 76 8.031 8.031 8.379 -0.348 25927 10187 1 17 . 1 1 77 77 VAL N N 77 122.994 122.994 121.521 1.473 25927 10188 1 17 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.524 -0.132 25927 10189 1 17 . 1 1 77 77 VAL C C 77 177.137 177.137 177.591 -0.454 25927 10190 1 17 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.864 0.591 25927 10191 1 17 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.239 0.334 25927 10192 1 17 . 1 1 77 77 VAL H H 77 7.999 7.999 8.087 -0.088 25927 10193 1 17 . 1 1 78 78 VAL N N 78 117.994 117.994 118.884 -0.890 25927 10194 1 17 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.495 0.053 25927 10195 1 17 . 1 1 78 78 VAL C C 78 177.830 177.830 177.532 0.298 25927 10196 1 17 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.387 0.887 25927 10197 1 17 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.296 0.447 25927 10198 1 17 . 1 1 78 78 VAL H H 78 7.745 7.745 7.918 -0.173 25927 10199 1 17 . 1 1 79 79 ALA N N 79 120.460 120.460 121.224 -0.764 25927 10200 1 17 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.073 0.107 25927 10201 1 17 . 1 1 79 79 ALA C C 79 176.512 176.512 179.147 -2.635 25927 10202 1 17 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.905 0.196 25927 10203 1 17 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.117 0.052 25927 10204 1 17 . 1 1 79 79 ALA H H 79 7.844 7.844 8.458 -0.614 25927 10205 1 17 . 1 1 80 80 ALA N N 80 119.351 119.351 120.549 -1.198 25927 10206 1 17 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.735 -0.739 25927 10207 1 17 . 1 1 80 80 ALA C C 80 180.805 180.805 179.427 1.378 25927 10208 1 17 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.880 -0.223 25927 10209 1 17 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.490 0.868 25927 10210 1 17 . 1 1 80 80 ALA H H 80 8.178 8.178 8.080 0.098 25927 10211 1 17 . 1 1 81 81 LEU N N 81 123.041 123.041 119.471 3.570 25927 10212 1 17 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.015 -0.151 25927 10213 1 17 . 1 1 81 81 LEU C C 81 179.526 179.526 179.052 0.474 25927 10214 1 17 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.751 1.134 25927 10215 1 17 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.603 0.948 25927 10216 1 17 . 1 1 81 81 LEU H H 81 8.469 8.469 7.267 1.202 25927 10217 1 17 . 1 1 82 82 ILE N N 82 119.350 119.350 118.665 0.685 25927 10218 1 17 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.632 0.195 25927 10219 1 17 . 1 1 82 82 ILE C C 82 179.375 179.375 178.114 1.261 25927 10220 1 17 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.308 -0.729 25927 10221 1 17 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.637 0.977 25927 10222 1 17 . 1 1 82 82 ILE H H 82 7.988 7.988 7.314 0.674 25927 10223 1 17 . 1 1 83 83 GLN N N 83 118.033 118.033 118.355 -0.322 25927 10224 1 17 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.915 0.278 25927 10225 1 17 . 1 1 83 83 GLN C C 83 179.932 179.932 178.603 1.329 25927 10226 1 17 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.747 0.416 25927 10227 1 17 . 1 1 83 83 GLN CB C 83 28.694 28.694 27.993 0.701 25927 10228 1 17 . 1 1 83 83 GLN H H 83 8.665 8.665 8.151 0.514 25927 10229 1 17 . 1 1 84 84 THR N N 84 118.583 118.583 115.125 3.458 25927 10230 1 17 . 1 1 84 84 THR HA H 84 3.813 3.813 4.042 -0.229 25927 10231 1 17 . 1 1 84 84 THR C C 84 175.824 175.824 176.229 -0.405 25927 10232 1 17 . 1 1 84 84 THR CA C 84 68.515 68.515 67.556 0.959 25927 10233 1 17 . 1 1 84 84 THR CB C 84 67.514 67.514 68.808 -1.294 25927 10234 1 17 . 1 1 84 84 THR H H 84 8.355 8.355 8.157 0.198 25927 10235 1 17 . 1 1 85 85 GLU N N 85 121.547 121.547 120.538 1.009 25927 10236 1 17 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.068 0.105 25927 10237 1 17 . 1 1 85 85 GLU C C 85 178.637 178.637 178.462 0.175 25927 10238 1 17 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.149 1.227 25927 10239 1 17 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.817 0.395 25927 10240 1 17 . 1 1 85 85 GLU H H 85 7.846 7.846 7.846 -0.000 25927 10241 1 17 . 1 1 86 86 GLU N N 86 118.203 118.203 119.353 -1.150 25927 10242 1 17 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.002 0.102 25927 10243 1 17 . 1 1 86 86 GLU C C 86 179.080 179.080 178.797 0.283 25927 10244 1 17 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.028 0.656 25927 10245 1 17 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.095 0.463 25927 10246 1 17 . 1 1 86 86 GLU H H 86 8.154 8.154 8.491 -0.337 25927 10247 1 17 . 1 1 87 87 ALA N N 87 121.242 121.242 121.316 -0.074 25927 10248 1 17 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.132 0.044 25927 10249 1 17 . 1 1 87 87 ALA C C 87 181.299 181.299 179.482 1.817 25927 10250 1 17 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.759 0.457 25927 10251 1 17 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.642 0.591 25927 10252 1 17 . 1 1 87 87 ALA H H 87 8.181 8.181 7.450 0.731 25927 10253 1 17 . 1 1 88 88 LEU N N 88 119.086 119.086 117.797 1.289 25927 10254 1 17 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.057 -0.060 25927 10255 1 17 . 1 1 88 88 LEU C C 88 179.526 179.526 178.508 1.018 25927 10256 1 17 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.238 1.310 25927 10257 1 17 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.362 -0.118 25927 10258 1 17 . 1 1 88 88 LEU H H 88 8.379 8.379 7.483 0.896 25927 10259 1 17 . 1 1 89 89 ASN N N 89 119.429 119.429 118.127 1.302 25927 10260 1 17 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.336 0.231 25927 10261 1 17 . 1 1 89 89 ASN C C 89 177.117 177.117 176.220 0.897 25927 10262 1 17 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.928 -0.923 25927 10263 1 17 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.496 -0.147 25927 10264 1 17 . 1 1 89 89 ASN H H 89 8.271 8.271 8.593 -0.322 25927 10265 1 17 . 1 1 90 90 ARG N N 90 118.735 118.735 116.919 1.816 25927 10266 1 17 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.249 -0.096 25927 10267 1 17 . 1 1 90 90 ARG C C 90 177.836 177.836 177.373 0.463 25927 10268 1 17 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.718 1.856 25927 10269 1 17 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.579 -0.349 25927 10270 1 17 . 1 1 90 90 ARG H H 90 8.010 8.010 7.586 0.424 25927 10271 1 17 . 1 1 91 91 ARG N N 91 118.976 118.976 118.727 0.249 25927 10272 1 17 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.223 -0.014 25927 10273 1 17 . 1 1 91 91 ARG C C 91 177.455 177.455 177.839 -0.384 25927 10274 1 17 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.597 -0.571 25927 10275 1 17 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.219 -0.432 25927 10276 1 17 . 1 1 91 91 ARG H H 91 7.833 7.833 7.685 0.148 25927 10277 1 17 . 1 1 92 92 GLN N N 92 118.834 118.834 115.267 3.567 25927 10278 1 17 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.475 -0.218 25927 10279 1 17 . 1 1 92 92 GLN C C 92 177.362 177.362 177.928 -0.566 25927 10280 1 17 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.670 0.818 25927 10281 1 17 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.596 -1.464 25927 10282 1 17 . 1 1 92 92 GLN H H 92 7.988 7.988 8.060 -0.072 25927 10283 1 17 . 1 1 93 93 ILE N N 93 120.499 120.499 122.126 -1.627 25927 10284 1 17 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.749 0.267 25927 10285 1 17 . 1 1 93 93 ILE C C 93 177.002 177.002 176.665 0.337 25927 10286 1 17 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.745 -1.884 25927 10287 1 17 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.326 1.242 25927 10288 1 17 . 1 1 93 93 ILE H H 93 7.976 7.976 7.892 0.084 25927 10289 1 17 . 1 1 94 94 ASN N N 94 120.172 120.172 119.185 0.987 25927 10290 1 17 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.021 0.618 25927 10291 1 17 . 1 1 94 94 ASN C C 94 176.336 176.336 177.459 -1.123 25927 10292 1 17 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.824 -2.507 25927 10293 1 17 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.404 0.195 25927 10294 1 17 . 1 1 94 94 ASN H H 94 8.272 8.272 8.249 0.023 25927 10295 1 17 . 1 1 95 95 GLN N N 95 120.288 120.288 118.079 2.209 25927 10296 1 17 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.095 0.085 25927 10297 1 17 . 1 1 95 95 GLN C C 95 176.701 176.701 177.998 -1.297 25927 10298 1 17 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.653 -1.474 25927 10299 1 17 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.683 0.313 25927 10300 1 17 . 1 1 95 95 GLN H H 95 8.303 8.303 7.665 0.638 25927 10301 1 17 . 1 1 96 96 ALA N N 96 123.219 123.219 121.776 1.443 25927 10302 1 17 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.225 0.036 25927 10303 1 17 . 1 1 96 96 ALA C C 96 178.429 178.429 179.236 -0.807 25927 10304 1 17 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.534 -1.102 25927 10305 1 17 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.439 0.334 25927 10306 1 17 . 1 1 96 96 ALA H H 96 8.112 8.112 7.433 0.679 25927 10307 1 17 . 1 1 97 97 LEU N N 97 119.452 119.452 114.669 4.783 25927 10308 1 17 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.287 0.014 25927 10309 1 17 . 1 1 97 97 LEU C C 97 177.834 177.834 178.303 -0.469 25927 10310 1 17 . 1 1 97 97 LEU CA C 97 55.746 55.746 56.764 -1.018 25927 10311 1 17 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.878 0.412 25927 10312 1 17 . 1 1 97 97 LEU H H 97 7.932 7.932 7.994 -0.062 25927 10313 1 17 . 1 1 98 98 LEU N N 98 121.124 121.124 118.879 2.245 25927 10314 1 17 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.346 0.031 25927 10315 1 17 . 1 1 98 98 LEU C C 98 177.729 177.729 177.101 0.628 25927 10316 1 17 . 1 1 98 98 LEU CA C 98 55.426 55.426 56.474 -1.048 25927 10317 1 17 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.351 0.055 25927 10318 1 17 . 1 1 98 98 LEU H H 98 7.947 7.947 7.890 0.057 25927 10319 1 17 . 1 1 99 99 SER N N 99 115.913 115.913 111.260 4.653 25927 10320 1 17 . 1 1 99 99 SER HA H 99 4.525 4.525 4.096 0.429 25927 10321 1 17 . 1 1 99 99 SER C C 99 174.980 174.980 175.227 -0.247 25927 10322 1 17 . 1 1 99 99 SER CA C 99 58.478 58.478 58.941 -0.463 25927 10323 1 17 . 1 1 99 99 SER CB C 99 63.839 63.839 62.041 1.798 25927 10324 1 17 . 1 1 99 99 SER H H 99 8.238 8.238 7.796 0.442 25927 10325 1 17 . 1 1 100 100 THR N N 100 114.610 114.610 115.736 -1.126 25927 10326 1 17 . 1 1 100 100 THR HA H 100 4.361 4.361 4.131 0.230 25927 10327 1 17 . 1 1 100 100 THR C C 100 175.368 175.368 175.715 -0.347 25927 10328 1 17 . 1 1 100 100 THR CA C 100 62.195 62.195 65.358 -3.163 25927 10329 1 17 . 1 1 100 100 THR CB C 100 69.794 69.794 68.821 0.973 25927 10330 1 17 . 1 1 100 100 THR H H 100 8.140 8.140 8.536 -0.396 25927 10331 1 17 . 1 1 101 101 GLY N N 101 110.650 110.650 107.615 3.035 25927 10332 1 17 . 1 1 101 101 GLY C C 101 173.935 173.935 173.696 0.239 25927 10333 1 17 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.956 0.537 25927 10334 1 17 . 1 1 101 101 GLY H H 101 8.353 8.353 8.044 0.309 25927 10335 1 17 . 1 1 102 102 ASP N N 102 120.512 120.512 119.326 1.186 25927 10336 1 17 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.712 -0.109 25927 10337 1 17 . 1 1 102 102 ASP C C 102 176.419 176.419 175.466 0.953 25927 10338 1 17 . 1 1 102 102 ASP CA C 102 54.291 54.291 53.066 1.225 25927 10339 1 17 . 1 1 102 102 ASP CB C 102 41.277 41.277 44.090 -2.813 25927 10340 1 17 . 1 1 102 102 ASP H H 102 8.204 8.204 7.790 0.414 25927 10341 1 17 . 1 1 103 103 LEU N N 103 122.331 122.331 121.048 1.283 25927 10342 1 17 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.233 0.025 25927 10343 1 17 . 1 1 103 103 LEU C C 103 177.394 177.394 175.644 1.750 25927 10344 1 17 . 1 1 103 103 LEU CA C 103 55.528 55.528 56.464 -0.936 25927 10345 1 17 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.197 0.031 25927 10346 1 17 . 1 1 103 103 LEU H H 103 8.170 8.170 8.197 -0.027 25927 10347 1 17 . 1 1 104 104 ALA N N 104 123.139 123.139 126.450 -3.311 25927 10348 1 17 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.445 -0.245 25927 10349 1 17 . 1 1 104 104 ALA C C 104 177.730 177.730 175.686 2.044 25927 10350 1 17 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.843 0.931 25927 10351 1 17 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.602 -0.598 25927 10352 1 17 . 1 1 104 104 ALA H H 104 8.150 8.150 8.224 -0.074 25927 10353 1 17 . 1 1 105 105 HIS N N 105 117.105 117.105 120.548 -3.443 25927 10354 1 17 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.656 -0.015 25927 10355 1 17 . 1 1 105 105 HIS C C 105 174.414 174.414 174.159 0.255 25927 10356 1 17 . 1 1 105 105 HIS CA C 105 55.520 55.520 56.997 -1.477 25927 10357 1 17 . 1 1 105 105 HIS CB C 105 29.278 29.278 31.417 -2.139 25927 10358 1 17 . 1 1 105 105 HIS H H 105 8.239 8.239 8.877 -0.638 25927 10359 1 17 . 1 1 106 106 ASP N N 106 121.315 121.315 120.588 0.727 25927 10360 1 17 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.564 0.039 25927 10361 1 17 . 1 1 106 106 ASP C C 106 176.370 176.370 176.008 0.362 25927 10362 1 17 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.072 0.247 25927 10363 1 17 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.829 0.585 25927 10364 1 17 . 1 1 106 106 ASP H H 106 8.298 8.298 8.116 0.182 25927 10365 1 17 . 1 1 107 107 GLU N N 107 121.228 121.228 119.296 1.932 25927 10366 1 17 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.308 -0.200 25927 10367 1 17 . 1 1 107 107 GLU C C 107 176.248 176.248 176.709 -0.461 25927 10368 1 17 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.364 -0.172 25927 10369 1 17 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.182 -0.087 25927 10370 1 17 . 1 1 107 107 GLU H H 107 8.536 8.536 8.656 -0.120 25927 10371 1 18 . 1 1 2 2 VAL N N 2 119.413 119.413 120.294 -0.881 25927 10372 1 18 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.367 -0.235 25927 10373 1 18 . 1 1 2 2 VAL C C 2 175.957 175.957 175.273 0.684 25927 10374 1 18 . 1 1 2 2 VAL CA C 2 62.517 62.517 62.022 0.495 25927 10375 1 18 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.791 -1.115 25927 10376 1 18 . 1 1 2 2 VAL H H 2 8.453 8.453 8.388 0.065 25927 10377 1 18 . 1 1 3 3 GLU N N 3 125.255 125.255 126.045 -0.790 25927 10378 1 18 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.583 -0.235 25927 10379 1 18 . 1 1 3 3 GLU C C 3 176.154 176.154 175.386 0.768 25927 10380 1 18 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.934 0.535 25927 10381 1 18 . 1 1 3 3 GLU CB C 3 30.382 30.382 31.196 -0.814 25927 10382 1 18 . 1 1 3 3 GLU H H 3 8.587 8.587 8.395 0.192 25927 10383 1 18 . 1 1 4 4 VAL N N 4 121.132 121.132 121.467 -0.335 25927 10384 1 18 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.161 -0.040 25927 10385 1 18 . 1 1 4 4 VAL C C 4 175.762 175.762 174.728 1.034 25927 10386 1 18 . 1 1 4 4 VAL CA C 4 62.028 62.028 62.373 -0.345 25927 10387 1 18 . 1 1 4 4 VAL CB C 4 33.056 33.056 31.962 1.095 25927 10388 1 18 . 1 1 4 4 VAL H H 4 8.172 8.172 8.301 -0.129 25927 10389 1 18 . 1 1 5 5 GLU N N 5 125.223 125.223 117.300 7.923 25927 10390 1 18 . 1 1 5 5 GLU HA H 5 4.324 4.324 3.986 0.338 25927 10391 1 18 . 1 1 5 5 GLU C C 5 176.006 176.006 176.054 -0.048 25927 10392 1 18 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.878 -0.489 25927 10393 1 18 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.570 1.849 25927 10394 1 18 . 1 1 5 5 GLU H H 5 8.472 8.472 8.277 0.195 25927 10395 1 18 . 1 1 6 6 VAL N N 6 123.435 123.435 118.101 5.334 25927 10396 1 18 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.967 0.469 25927 10397 1 18 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.109 -4.363 25927 10398 1 18 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.918 1.820 25927 10399 1 18 . 1 1 6 6 VAL H H 6 8.288 8.288 8.042 0.246 25927 10400 1 18 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.581 -0.145 25927 10401 1 18 . 1 1 7 7 PRO C C 7 177.461 177.461 176.531 0.930 25927 10402 1 18 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.364 0.981 25927 10403 1 18 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.791 -0.486 25927 10404 1 18 . 1 1 8 8 GLY N N 8 108.925 108.925 106.415 2.510 25927 10405 1 18 . 1 1 8 8 GLY C C 8 173.995 173.995 173.295 0.700 25927 10406 1 18 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.877 0.549 25927 10407 1 18 . 1 1 8 8 GLY H H 8 8.334 8.334 8.214 0.120 25927 10408 1 18 . 1 1 9 9 LEU N N 9 121.559 121.559 120.949 0.610 25927 10409 1 18 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.756 -0.297 25927 10410 1 18 . 1 1 9 9 LEU C C 9 176.870 176.870 175.779 1.091 25927 10411 1 18 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.401 1.220 25927 10412 1 18 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.214 0.834 25927 10413 1 18 . 1 1 9 9 LEU H H 9 8.150 8.150 8.514 -0.364 25927 10414 1 18 . 1 1 10 10 LEU N N 10 122.690 122.690 123.700 -1.010 25927 10415 1 18 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.461 0.700 25927 10416 1 18 . 1 1 10 10 LEU C C 10 177.427 177.427 177.015 0.412 25927 10417 1 18 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.453 -1.591 25927 10418 1 18 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.227 2.421 25927 10419 1 18 . 1 1 10 10 LEU H H 10 8.348 8.348 7.960 0.388 25927 10420 1 18 . 1 1 11 11 THR N N 11 124.118 124.118 121.060 3.058 25927 10421 1 18 . 1 1 11 11 THR HA H 11 4.295 4.295 4.438 -0.143 25927 10422 1 18 . 1 1 11 11 THR C C 11 172.853 172.853 173.926 -1.073 25927 10423 1 18 . 1 1 11 11 THR CA C 11 63.577 63.577 61.258 2.318 25927 10424 1 18 . 1 1 11 11 THR CB C 11 69.325 69.325 70.747 -1.422 25927 10425 1 18 . 1 1 11 11 THR H H 11 9.186 9.186 8.219 0.967 25927 10426 1 18 . 1 1 12 12 ASP N N 12 127.226 127.226 125.728 1.498 25927 10427 1 18 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.807 0.490 25927 10428 1 18 . 1 1 12 12 ASP C C 12 176.060 176.060 175.889 0.171 25927 10429 1 18 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.604 0.175 25927 10430 1 18 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.962 1.082 25927 10431 1 18 . 1 1 12 12 ASP H H 12 8.880 8.880 8.425 0.455 25927 10432 1 18 . 1 1 13 13 HIS N N 13 127.146 127.146 121.934 5.212 25927 10433 1 18 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.502 0.806 25927 10434 1 18 . 1 1 13 13 HIS C C 13 175.365 175.365 173.884 1.481 25927 10435 1 18 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.475 -2.317 25927 10436 1 18 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.817 1.137 25927 10437 1 18 . 1 1 13 13 HIS H H 13 8.867 8.867 7.943 0.924 25927 10438 1 18 . 1 1 14 14 THR N N 14 112.885 112.885 110.244 2.641 25927 10439 1 18 . 1 1 14 14 THR HA H 14 4.522 4.522 4.683 -0.161 25927 10440 1 18 . 1 1 14 14 THR C C 14 174.626 174.626 174.280 0.346 25927 10441 1 18 . 1 1 14 14 THR CA C 14 63.245 63.245 60.644 2.601 25927 10442 1 18 . 1 1 14 14 THR CB C 14 70.178 70.178 70.889 -0.711 25927 10443 1 18 . 1 1 14 14 THR H H 14 8.583 8.583 7.736 0.847 25927 10444 1 18 . 1 1 15 15 VAL N N 15 113.207 113.207 120.181 -6.974 25927 10445 1 18 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.557 0.088 25927 10446 1 18 . 1 1 15 15 VAL C C 15 175.216 175.216 174.564 0.652 25927 10447 1 18 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.545 0.717 25927 10448 1 18 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.547 2.833 25927 10449 1 18 . 1 1 15 15 VAL H H 15 9.104 9.104 8.416 0.688 25927 10450 1 18 . 1 1 16 16 SER N N 16 122.970 122.970 116.017 6.953 25927 10451 1 18 . 1 1 16 16 SER HA H 16 4.196 4.196 4.843 -0.647 25927 10452 1 18 . 1 1 16 16 SER C C 16 174.515 174.515 175.220 -0.705 25927 10453 1 18 . 1 1 16 16 SER CA C 16 57.126 57.126 56.438 0.688 25927 10454 1 18 . 1 1 16 16 SER CB C 16 67.073 67.073 66.140 0.933 25927 10455 1 18 . 1 1 16 16 SER H H 16 9.340 9.340 7.650 1.690 25927 10456 1 18 . 1 1 17 17 SER N N 17 116.643 116.643 117.217 -0.574 25927 10457 1 18 . 1 1 17 17 SER HA H 17 4.157 4.157 4.144 0.013 25927 10458 1 18 . 1 1 17 17 SER C C 17 176.576 176.576 176.265 0.311 25927 10459 1 18 . 1 1 17 17 SER CA C 17 62.451 62.451 61.442 1.009 25927 10460 1 18 . 1 1 17 17 SER CB C 17 62.539 62.539 62.912 -0.373 25927 10461 1 18 . 1 1 17 17 SER H H 17 8.926 8.926 8.863 0.063 25927 10462 1 18 . 1 1 18 18 ILE N N 18 120.198 120.198 117.070 3.128 25927 10463 1 18 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.250 -0.179 25927 10464 1 18 . 1 1 18 18 ILE C C 18 177.925 177.925 177.733 0.192 25927 10465 1 18 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.617 1.764 25927 10466 1 18 . 1 1 18 18 ILE CB C 18 37.580 37.580 37.563 0.017 25927 10467 1 18 . 1 1 18 18 ILE H H 18 7.848 7.848 7.632 0.216 25927 10468 1 18 . 1 1 19 19 GLY N N 19 111.905 111.905 108.790 3.115 25927 10469 1 18 . 1 1 19 19 GLY C C 19 176.153 176.153 176.265 -0.112 25927 10470 1 18 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.208 -0.368 25927 10471 1 18 . 1 1 19 19 GLY H H 19 7.921 7.921 8.195 -0.274 25927 10472 1 18 . 1 1 20 20 HIS N N 20 120.808 120.808 121.729 -0.921 25927 10473 1 18 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.538 0.224 25927 10474 1 18 . 1 1 20 20 HIS C C 20 178.606 178.606 177.189 1.417 25927 10475 1 18 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.464 -1.606 25927 10476 1 18 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.203 -2.488 25927 10477 1 18 . 1 1 20 20 HIS H H 20 8.842 8.842 8.640 0.202 25927 10478 1 18 . 1 1 21 21 ASP N N 21 121.572 121.572 119.950 1.622 25927 10479 1 18 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.473 0.061 25927 10480 1 18 . 1 1 21 21 ASP C C 21 179.630 179.630 178.538 1.092 25927 10481 1 18 . 1 1 21 21 ASP CA C 21 57.505 57.505 56.959 0.546 25927 10482 1 18 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.552 -0.787 25927 10483 1 18 . 1 1 21 21 ASP H H 21 8.592 8.592 7.779 0.813 25927 10484 1 18 . 1 1 22 22 PHE N N 22 123.889 123.889 122.702 1.187 25927 10485 1 18 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.159 -0.064 25927 10486 1 18 . 1 1 22 22 PHE C C 22 175.647 175.647 176.730 -1.083 25927 10487 1 18 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.021 0.907 25927 10488 1 18 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.258 -0.111 25927 10489 1 18 . 1 1 22 22 PHE H H 22 8.790 8.790 9.063 -0.273 25927 10490 1 18 . 1 1 23 23 TYR N N 23 119.855 119.855 120.147 -0.292 25927 10491 1 18 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.998 -0.217 25927 10492 1 18 . 1 1 23 23 TYR C C 23 177.585 177.585 177.356 0.229 25927 10493 1 18 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.841 0.132 25927 10494 1 18 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.351 0.028 25927 10495 1 18 . 1 1 23 23 TYR H H 23 9.008 9.008 8.029 0.979 25927 10496 1 18 . 1 1 24 24 ARG N N 24 120.673 120.673 118.516 2.157 25927 10497 1 18 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.810 -0.092 25927 10498 1 18 . 1 1 24 24 ARG C C 24 177.149 177.149 178.695 -1.546 25927 10499 1 18 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.171 0.189 25927 10500 1 18 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.244 0.190 25927 10501 1 18 . 1 1 24 24 ARG H H 24 8.576 8.576 7.606 0.970 25927 10502 1 18 . 1 1 25 25 ALA N N 25 120.718 120.718 122.716 -1.998 25927 10503 1 18 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.104 0.007 25927 10504 1 18 . 1 1 25 25 ALA C C 25 179.502 179.502 179.169 0.333 25927 10505 1 18 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.797 0.013 25927 10506 1 18 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.578 0.812 25927 10507 1 18 . 1 1 25 25 ALA H H 25 8.080 8.080 8.457 -0.377 25927 10508 1 18 . 1 1 26 26 PHE N N 26 118.193 118.193 119.308 -1.115 25927 10509 1 18 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.885 -0.387 25927 10510 1 18 . 1 1 26 26 PHE C C 26 177.120 177.120 176.815 0.305 25927 10511 1 18 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.581 0.716 25927 10512 1 18 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.057 0.850 25927 10513 1 18 . 1 1 26 26 PHE H H 26 8.467 8.467 8.206 0.261 25927 10514 1 18 . 1 1 27 27 SER N N 27 112.572 112.572 113.934 -1.362 25927 10515 1 18 . 1 1 27 27 SER HA H 27 3.845 3.845 4.251 -0.406 25927 10516 1 18 . 1 1 27 27 SER C C 27 176.828 176.828 176.497 0.331 25927 10517 1 18 . 1 1 27 27 SER CA C 27 61.656 61.656 61.018 0.638 25927 10518 1 18 . 1 1 27 27 SER CB C 27 62.952 62.952 62.878 0.074 25927 10519 1 18 . 1 1 27 27 SER H H 27 8.477 8.477 8.013 0.464 25927 10520 1 18 . 1 1 28 28 ASP N N 28 119.022 119.022 121.549 -2.527 25927 10521 1 18 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.490 -0.066 25927 10522 1 18 . 1 1 28 28 ASP C C 28 177.325 177.325 177.339 -0.014 25927 10523 1 18 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.399 0.258 25927 10524 1 18 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.928 0.346 25927 10525 1 18 . 1 1 28 28 ASP H H 28 8.019 8.019 8.098 -0.079 25927 10526 1 18 . 1 1 29 29 LYS N N 29 115.330 115.330 115.639 -0.309 25927 10527 1 18 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.373 -0.014 25927 10528 1 18 . 1 1 29 29 LYS C C 29 175.910 175.910 176.315 -0.405 25927 10529 1 18 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.286 -0.122 25927 10530 1 18 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.661 2.649 25927 10531 1 18 . 1 1 29 29 LYS H H 29 6.910 6.910 7.534 -0.624 25927 10532 1 18 . 1 1 30 30 TRP N N 30 122.847 122.847 123.546 -0.699 25927 10533 1 18 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.105 0.072 25927 10534 1 18 . 1 1 30 30 TRP C C 30 175.188 175.188 175.072 0.116 25927 10535 1 18 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.760 -0.719 25927 10536 1 18 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.645 0.275 25927 10537 1 18 . 1 1 30 30 TRP H H 30 7.638 7.638 7.559 0.079 25927 10538 1 18 . 1 1 31 31 GLU N N 31 128.182 128.182 125.545 2.637 25927 10539 1 18 . 1 1 31 31 GLU HA H 31 4.159 4.159 3.966 0.193 25927 10540 1 18 . 1 1 31 31 GLU C C 31 173.960 173.960 173.395 0.565 25927 10541 1 18 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.538 -0.424 25927 10542 1 18 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.274 -0.191 25927 10543 1 18 . 1 1 31 31 GLU H H 31 7.426 7.426 7.249 0.177 25927 10544 1 18 . 1 1 32 32 SER N N 32 115.672 115.672 117.547 -1.875 25927 10545 1 18 . 1 1 32 32 SER HA H 32 4.100 4.100 4.616 -0.516 25927 10546 1 18 . 1 1 32 32 SER C C 32 173.864 173.864 173.985 -0.121 25927 10547 1 18 . 1 1 32 32 SER CA C 32 57.344 57.344 57.544 -0.200 25927 10548 1 18 . 1 1 32 32 SER CB C 32 64.220 64.220 65.161 -0.941 25927 10549 1 18 . 1 1 32 32 SER H H 32 7.276 7.276 7.943 -0.667 25927 10550 1 18 . 1 1 33 33 ASP N N 33 123.759 123.759 121.821 1.938 25927 10551 1 18 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.664 -0.041 25927 10552 1 18 . 1 1 33 33 ASP C C 33 176.175 176.175 176.866 -0.691 25927 10553 1 18 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.674 -0.545 25927 10554 1 18 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.508 -0.898 25927 10555 1 18 . 1 1 33 33 ASP H H 33 8.429 8.429 8.782 -0.353 25927 10556 1 18 . 1 1 34 34 TYR N N 34 122.283 122.283 118.881 3.402 25927 10557 1 18 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.657 -0.083 25927 10558 1 18 . 1 1 34 34 TYR C C 34 177.025 177.025 176.427 0.598 25927 10559 1 18 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.221 1.596 25927 10560 1 18 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.129 0.005 25927 10561 1 18 . 1 1 34 34 TYR H H 34 8.649 8.649 7.741 0.908 25927 10562 1 18 . 1 1 35 35 THR N N 35 116.852 116.852 113.028 3.824 25927 10563 1 18 . 1 1 35 35 THR HA H 35 4.311 4.311 4.107 0.204 25927 10564 1 18 . 1 1 35 35 THR C C 35 174.704 174.704 174.304 0.400 25927 10565 1 18 . 1 1 35 35 THR CA C 35 61.364 61.364 62.876 -1.512 25927 10566 1 18 . 1 1 35 35 THR CB C 35 69.454 69.454 68.790 0.664 25927 10567 1 18 . 1 1 35 35 THR H H 35 8.067 8.067 8.460 -0.393 25927 10568 1 18 . 1 1 36 36 GLY N N 36 107.698 107.698 107.390 0.308 25927 10569 1 18 . 1 1 36 36 GLY C C 36 171.455 171.455 174.225 -2.770 25927 10570 1 18 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.061 -0.543 25927 10571 1 18 . 1 1 36 36 GLY H H 36 5.732 5.732 6.531 -0.799 25927 10572 1 18 . 1 1 37 37 ASN N N 37 117.424 117.424 118.953 -1.529 25927 10573 1 18 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.716 0.269 25927 10574 1 18 . 1 1 37 37 ASN C C 37 175.393 175.393 173.681 1.712 25927 10575 1 18 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.309 0.524 25927 10576 1 18 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.222 3.291 25927 10577 1 18 . 1 1 37 37 ASN H H 37 8.346 8.346 8.522 -0.176 25927 10578 1 18 . 1 1 38 38 LEU N N 38 126.809 126.809 118.547 8.262 25927 10579 1 18 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.645 -0.647 25927 10580 1 18 . 1 1 38 38 LEU C C 38 175.770 175.770 175.370 0.400 25927 10581 1 18 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.862 2.152 25927 10582 1 18 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.538 -0.472 25927 10583 1 18 . 1 1 38 38 LEU H H 38 8.469 8.469 7.797 0.672 25927 10584 1 18 . 1 1 39 39 THR N N 39 119.369 119.369 114.366 5.003 25927 10585 1 18 . 1 1 39 39 THR HA H 39 4.799 4.799 4.927 -0.128 25927 10586 1 18 . 1 1 39 39 THR C C 39 172.224 172.224 172.712 -0.488 25927 10587 1 18 . 1 1 39 39 THR CA C 39 61.958 61.958 60.542 1.416 25927 10588 1 18 . 1 1 39 39 THR CB C 39 70.327 70.327 72.134 -1.807 25927 10589 1 18 . 1 1 39 39 THR H H 39 8.849 8.849 8.923 -0.074 25927 10590 1 18 . 1 1 40 40 ILE N N 40 125.490 125.490 124.052 1.438 25927 10591 1 18 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.374 0.146 25927 10592 1 18 . 1 1 40 40 ILE C C 40 173.125 173.125 173.755 -0.630 25927 10593 1 18 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.387 0.794 25927 10594 1 18 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.110 -2.660 25927 10595 1 18 . 1 1 40 40 ILE H H 40 8.562 8.562 7.941 0.621 25927 10596 1 18 . 1 1 41 41 ASN N N 41 124.656 124.656 124.249 0.407 25927 10597 1 18 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.718 -0.818 25927 10598 1 18 . 1 1 41 41 ASN C C 41 173.445 173.445 174.148 -0.703 25927 10599 1 18 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.613 0.466 25927 10600 1 18 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.342 -0.226 25927 10601 1 18 . 1 1 41 41 ASN H H 41 9.173 9.173 8.806 0.367 25927 10602 1 18 . 1 1 42 42 GLU N N 42 120.095 120.095 121.795 -1.700 25927 10603 1 18 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.457 -0.072 25927 10604 1 18 . 1 1 42 42 GLU C C 42 173.971 173.971 175.427 -1.456 25927 10605 1 18 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.527 -0.397 25927 10606 1 18 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.634 1.823 25927 10607 1 18 . 1 1 42 42 GLU H H 42 7.741 7.741 8.294 -0.553 25927 10608 1 18 . 1 1 43 43 ARG N N 43 127.178 127.178 122.092 5.086 25927 10609 1 18 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.885 0.148 25927 10610 1 18 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.492 0.203 25927 10611 1 18 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.527 -0.039 25927 10612 1 18 . 1 1 43 43 ARG H H 43 9.039 9.039 8.897 0.142 25927 10613 1 18 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.646 0.081 25927 10614 1 18 . 1 1 44 44 PRO C C 44 176.335 176.335 176.025 0.310 25927 10615 1 18 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.893 0.449 25927 10616 1 18 . 1 1 44 44 PRO CB C 44 32.674 32.674 31.950 0.725 25927 10617 1 18 . 1 1 45 45 SER N N 45 117.089 117.089 122.868 -5.779 25927 10618 1 18 . 1 1 45 45 SER HA H 45 4.837 4.837 4.728 0.109 25927 10619 1 18 . 1 1 45 45 SER C C 45 174.334 174.334 174.512 -0.178 25927 10620 1 18 . 1 1 45 45 SER CA C 45 56.688 56.688 57.429 -0.741 25927 10621 1 18 . 1 1 45 45 SER CB C 45 64.628 64.628 64.451 0.177 25927 10622 1 18 . 1 1 45 45 SER H H 45 8.497 8.497 8.951 -0.454 25927 10623 1 18 . 1 1 46 46 ALA N N 46 126.901 126.901 127.824 -0.923 25927 10624 1 18 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.016 0.206 25927 10625 1 18 . 1 1 46 46 ALA C C 46 178.171 178.171 178.603 -0.432 25927 10626 1 18 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.201 -0.113 25927 10627 1 18 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.966 -0.374 25927 10628 1 18 . 1 1 46 46 ALA H H 46 8.780 8.780 8.727 0.053 25927 10629 1 18 . 1 1 47 47 ARG N N 47 117.860 117.860 117.347 0.513 25927 10630 1 18 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.160 0.250 25927 10631 1 18 . 1 1 47 47 ARG C C 47 175.674 175.674 176.565 -0.891 25927 10632 1 18 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.223 -1.971 25927 10633 1 18 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.683 0.903 25927 10634 1 18 . 1 1 47 47 ARG H H 47 8.381 8.381 8.059 0.322 25927 10635 1 18 . 1 1 48 48 ALA N N 48 121.099 121.099 117.470 3.629 25927 10636 1 18 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.533 -0.114 25927 10637 1 18 . 1 1 48 48 ALA C C 48 176.874 176.874 175.766 1.108 25927 10638 1 18 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.165 1.103 25927 10639 1 18 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.358 -1.577 25927 10640 1 18 . 1 1 48 48 ALA H H 48 8.012 8.012 8.103 -0.091 25927 10641 1 18 . 1 1 49 49 GLY N N 49 106.126 106.126 106.953 -0.827 25927 10642 1 18 . 1 1 49 49 GLY C C 49 172.803 172.803 171.814 0.989 25927 10643 1 18 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.939 -1.449 25927 10644 1 18 . 1 1 49 49 GLY H H 49 7.946 7.946 8.146 -0.200 25927 10645 1 18 . 1 1 50 50 SER N N 50 113.972 113.972 115.704 -1.732 25927 10646 1 18 . 1 1 50 50 SER HA H 50 4.736 4.736 5.399 -0.663 25927 10647 1 18 . 1 1 50 50 SER C C 50 171.367 171.367 173.019 -1.652 25927 10648 1 18 . 1 1 50 50 SER CA C 50 57.165 57.165 56.510 0.655 25927 10649 1 18 . 1 1 50 50 SER CB C 50 66.797 66.797 66.252 0.545 25927 10650 1 18 . 1 1 50 50 SER H H 50 7.631 7.631 7.661 -0.030 25927 10651 1 18 . 1 1 51 51 TRP N N 51 121.787 121.787 125.596 -3.809 25927 10652 1 18 . 1 1 51 51 TRP HA H 51 4.856 4.856 5.094 -0.238 25927 10653 1 18 . 1 1 51 51 TRP C C 51 176.055 176.055 175.929 0.126 25927 10654 1 18 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.153 -0.360 25927 10655 1 18 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.607 -0.073 25927 10656 1 18 . 1 1 51 51 TRP H H 51 8.588 8.588 9.157 -0.569 25927 10657 1 18 . 1 1 52 52 ILE N N 52 126.898 126.898 127.101 -0.203 25927 10658 1 18 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.841 0.230 25927 10659 1 18 . 1 1 52 52 ILE C C 52 175.754 175.754 175.522 0.232 25927 10660 1 18 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.843 -2.110 25927 10661 1 18 . 1 1 52 52 ILE CB C 52 38.355 38.355 37.472 0.883 25927 10662 1 18 . 1 1 52 52 ILE H H 52 8.963 8.963 9.209 -0.246 25927 10663 1 18 . 1 1 53 53 THR N N 53 116.271 116.271 123.928 -7.657 25927 10664 1 18 . 1 1 53 53 THR HA H 53 5.095 5.095 4.804 0.291 25927 10665 1 18 . 1 1 53 53 THR C C 53 173.382 173.382 172.944 0.438 25927 10666 1 18 . 1 1 53 53 THR CA C 53 59.290 59.290 61.835 -2.545 25927 10667 1 18 . 1 1 53 53 THR CB C 53 71.819 71.819 70.956 0.863 25927 10668 1 18 . 1 1 53 53 THR H H 53 8.371 8.371 9.076 -0.705 25927 10669 1 18 . 1 1 54 54 ILE N N 54 124.947 124.947 129.727 -4.780 25927 10670 1 18 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.099 0.084 25927 10671 1 18 . 1 1 54 54 ILE C C 54 175.952 175.952 173.944 2.008 25927 10672 1 18 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.421 2.173 25927 10673 1 18 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.712 -2.095 25927 10674 1 18 . 1 1 54 54 ILE H H 54 9.056 9.056 9.037 0.019 25927 10675 1 18 . 1 1 55 55 THR N N 55 118.298 118.298 123.176 -4.878 25927 10676 1 18 . 1 1 55 55 THR HA H 55 5.458 5.458 5.129 0.329 25927 10677 1 18 . 1 1 55 55 THR C C 55 173.980 173.980 173.585 0.395 25927 10678 1 18 . 1 1 55 55 THR CA C 55 58.717 58.717 59.788 -1.071 25927 10679 1 18 . 1 1 55 55 THR CB C 55 71.839 71.839 71.045 0.794 25927 10680 1 18 . 1 1 55 55 THR H H 55 9.250 9.250 8.913 0.337 25927 10681 1 18 . 1 1 56 56 VAL N N 56 120.047 120.047 126.130 -6.083 25927 10682 1 18 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.691 -0.271 25927 10683 1 18 . 1 1 56 56 VAL C C 56 176.226 176.226 176.529 -0.303 25927 10684 1 18 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.780 -0.739 25927 10685 1 18 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.992 1.769 25927 10686 1 18 . 1 1 56 56 VAL H H 56 8.435 8.435 8.805 -0.370 25927 10687 1 18 . 1 1 57 57 ASN N N 57 125.479 125.479 126.871 -1.392 25927 10688 1 18 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.268 -0.073 25927 10689 1 18 . 1 1 57 57 ASN C C 57 175.026 175.026 175.584 -0.558 25927 10690 1 18 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.578 -0.881 25927 10691 1 18 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.346 -0.347 25927 10692 1 18 . 1 1 57 57 ASN H H 57 9.199 9.199 9.405 -0.206 25927 10693 1 18 . 1 1 58 58 GLN N N 58 116.897 116.897 116.230 0.667 25927 10694 1 18 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.496 -0.310 25927 10695 1 18 . 1 1 58 58 GLN C C 58 175.237 175.237 174.796 0.441 25927 10696 1 18 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.506 1.333 25927 10697 1 18 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.082 -2.499 25927 10698 1 18 . 1 1 58 58 GLN H H 58 8.576 8.576 8.253 0.323 25927 10699 1 18 . 1 1 59 59 ASP N N 59 122.465 122.465 122.907 -0.442 25927 10700 1 18 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.899 -0.183 25927 10701 1 18 . 1 1 59 59 ASP C C 59 175.302 175.302 174.530 0.772 25927 10702 1 18 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.752 0.381 25927 10703 1 18 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.070 -2.617 25927 10704 1 18 . 1 1 59 59 ASP H H 59 8.343 8.343 8.264 0.079 25927 10705 1 18 . 1 1 60 60 VAL N N 60 124.577 124.577 123.698 0.879 25927 10706 1 18 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.150 -0.273 25927 10707 1 18 . 1 1 60 60 VAL C C 60 176.802 176.802 175.601 1.201 25927 10708 1 18 . 1 1 60 60 VAL CA C 60 63.781 63.781 63.022 0.759 25927 10709 1 18 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.721 -0.988 25927 10710 1 18 . 1 1 60 60 VAL H H 60 8.754 8.754 8.747 0.007 25927 10711 1 18 . 1 1 61 61 ILE N N 61 123.852 123.852 124.386 -0.534 25927 10712 1 18 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.573 -0.054 25927 10713 1 18 . 1 1 61 61 ILE C C 61 175.073 175.073 175.098 -0.025 25927 10714 1 18 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.192 -0.593 25927 10715 1 18 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.196 -1.226 25927 10716 1 18 . 1 1 61 61 ILE H H 61 8.984 8.984 8.085 0.899 25927 10717 1 18 . 1 1 62 62 PHE N N 62 119.927 119.927 120.750 -0.823 25927 10718 1 18 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.873 -0.227 25927 10719 1 18 . 1 1 62 62 PHE C C 62 171.958 171.958 172.834 -0.876 25927 10720 1 18 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.424 0.947 25927 10721 1 18 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.728 0.082 25927 10722 1 18 . 1 1 62 62 PHE H H 62 7.557 7.557 7.611 -0.054 25927 10723 1 18 . 1 1 63 63 GLN N N 63 125.524 125.524 122.384 3.140 25927 10724 1 18 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.770 0.339 25927 10725 1 18 . 1 1 63 63 GLN C C 63 172.837 172.837 173.521 -0.684 25927 10726 1 18 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.938 -0.176 25927 10727 1 18 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.776 -0.097 25927 10728 1 18 . 1 1 63 63 GLN H H 63 7.389 7.389 7.576 -0.187 25927 10729 1 18 . 1 1 64 64 THR N N 64 115.981 115.981 114.335 1.646 25927 10730 1 18 . 1 1 64 64 THR HA H 64 4.428 4.428 4.442 -0.014 25927 10731 1 18 . 1 1 64 64 THR C C 64 169.980 169.980 171.712 -1.732 25927 10732 1 18 . 1 1 64 64 THR CA C 64 60.555 60.555 60.865 -0.311 25927 10733 1 18 . 1 1 64 64 THR CB C 64 69.083 69.083 71.117 -2.034 25927 10734 1 18 . 1 1 64 64 THR H H 64 8.588 8.588 8.686 -0.098 25927 10735 1 18 . 1 1 65 65 PHE N N 65 125.997 125.997 125.291 0.706 25927 10736 1 18 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.513 -0.099 25927 10737 1 18 . 1 1 65 65 PHE C C 65 173.940 173.940 173.935 0.005 25927 10738 1 18 . 1 1 65 65 PHE CA C 65 57.250 57.250 55.176 2.074 25927 10739 1 18 . 1 1 65 65 PHE CB C 65 40.713 40.713 39.442 1.271 25927 10740 1 18 . 1 1 65 65 PHE H H 65 8.054 8.054 8.176 -0.122 25927 10741 1 18 . 1 1 66 66 LEU N N 66 127.935 127.935 127.640 0.295 25927 10742 1 18 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.420 0.032 25927 10743 1 18 . 1 1 66 66 LEU C C 66 174.502 174.502 174.958 -0.456 25927 10744 1 18 . 1 1 66 66 LEU CB C 66 43.609 43.609 43.919 -0.309 25927 10745 1 18 . 1 1 66 66 LEU H H 66 8.383 8.383 8.601 -0.218 25927 10746 1 18 . 1 1 67 67 PHE N N 67 123.162 123.162 119.576 3.586 25927 10747 1 18 . 1 1 67 67 PHE HA H 67 4.624 4.624 4.765 -0.141 25927 10748 1 18 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.609 -1.482 25927 10749 1 18 . 1 1 67 67 PHE H H 67 8.285 8.285 8.675 -0.390 25927 10750 1 18 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.448 -0.001 25927 10751 1 18 . 1 1 68 68 PRO C C 68 175.918 175.918 177.145 -1.227 25927 10752 1 18 . 1 1 68 68 PRO CA C 68 61.623 61.623 63.920 -2.297 25927 10753 1 18 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.306 -0.085 25927 10754 1 18 . 1 1 69 69 LEU N N 69 121.360 121.360 119.503 1.857 25927 10755 1 18 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.382 -0.188 25927 10756 1 18 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.629 -0.378 25927 10757 1 18 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.160 -1.483 25927 10758 1 18 . 1 1 69 69 LEU H H 69 8.300 8.300 8.366 -0.066 25927 10759 1 18 . 1 1 70 70 LYS N N 70 123.012 123.012 117.368 5.644 25927 10760 1 18 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.581 0.119 25927 10761 1 18 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.065 -3.345 25927 10762 1 18 . 1 1 70 70 LYS H H 70 8.156 8.156 7.880 0.276 25927 10763 1 18 . 1 1 71 71 ARG N N 71 125.250 125.250 122.578 2.672 25927 10764 1 18 . 1 1 71 71 ARG C C 71 179.581 179.581 176.307 3.274 25927 10765 1 18 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.859 0.358 25927 10766 1 18 . 1 1 71 71 ARG H H 71 8.279 8.279 8.690 -0.411 25927 10767 1 18 . 1 1 72 72 ASP N N 72 119.355 119.355 120.172 -0.817 25927 10768 1 18 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.668 0.078 25927 10769 1 18 . 1 1 72 72 ASP C C 72 177.124 177.124 177.370 -0.246 25927 10770 1 18 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.652 0.021 25927 10771 1 18 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.626 -0.579 25927 10772 1 18 . 1 1 72 72 ASP H H 72 8.182 8.182 8.218 -0.036 25927 10773 1 18 . 1 1 73 73 PHE N N 73 122.846 122.846 121.300 1.546 25927 10774 1 18 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.071 0.059 25927 10775 1 18 . 1 1 73 73 PHE C C 73 176.729 176.729 176.536 0.193 25927 10776 1 18 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.304 0.718 25927 10777 1 18 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.310 0.894 25927 10778 1 18 . 1 1 73 73 PHE H H 73 8.197 8.197 8.004 0.193 25927 10779 1 18 . 1 1 74 74 GLU N N 74 118.652 118.652 118.510 0.142 25927 10780 1 18 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.881 -0.037 25927 10781 1 18 . 1 1 74 74 GLU C C 74 179.310 179.310 178.655 0.655 25927 10782 1 18 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.681 0.970 25927 10783 1 18 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.371 -0.722 25927 10784 1 18 . 1 1 74 74 GLU H H 74 9.098 9.098 9.073 0.025 25927 10785 1 18 . 1 1 75 75 LYS N N 75 117.836 117.836 119.339 -1.503 25927 10786 1 18 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.101 -0.022 25927 10787 1 18 . 1 1 75 75 LYS C C 75 179.312 179.312 179.274 0.038 25927 10788 1 18 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.338 -0.058 25927 10789 1 18 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.224 0.119 25927 10790 1 18 . 1 1 75 75 LYS H H 75 8.078 8.078 7.638 0.440 25927 10791 1 18 . 1 1 76 76 THR N N 76 118.581 118.581 117.797 0.784 25927 10792 1 18 . 1 1 76 76 THR HA H 76 4.168 4.168 4.104 0.064 25927 10793 1 18 . 1 1 76 76 THR C C 76 175.873 175.873 176.764 -0.891 25927 10794 1 18 . 1 1 76 76 THR CA C 76 67.009 67.009 66.964 0.045 25927 10795 1 18 . 1 1 76 76 THR CB C 76 68.404 68.404 68.516 -0.112 25927 10796 1 18 . 1 1 76 76 THR H H 76 8.031 8.031 8.341 -0.310 25927 10797 1 18 . 1 1 77 77 VAL N N 77 122.994 122.994 121.452 1.542 25927 10798 1 18 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.498 -0.106 25927 10799 1 18 . 1 1 77 77 VAL C C 77 177.137 177.137 177.595 -0.458 25927 10800 1 18 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.827 0.628 25927 10801 1 18 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.224 0.350 25927 10802 1 18 . 1 1 77 77 VAL H H 77 7.999 7.999 8.076 -0.077 25927 10803 1 18 . 1 1 78 78 VAL N N 78 117.994 117.994 118.910 -0.916 25927 10804 1 18 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.498 0.050 25927 10805 1 18 . 1 1 78 78 VAL C C 78 177.830 177.830 177.520 0.310 25927 10806 1 18 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.399 0.875 25927 10807 1 18 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.299 0.444 25927 10808 1 18 . 1 1 78 78 VAL H H 78 7.745 7.745 7.982 -0.237 25927 10809 1 18 . 1 1 79 79 ALA N N 79 120.460 120.460 121.202 -0.742 25927 10810 1 18 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.084 0.096 25927 10811 1 18 . 1 1 79 79 ALA C C 79 176.512 176.512 179.154 -2.642 25927 10812 1 18 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.900 0.201 25927 10813 1 18 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.120 0.050 25927 10814 1 18 . 1 1 79 79 ALA H H 79 7.844 7.844 8.373 -0.529 25927 10815 1 18 . 1 1 80 80 ALA N N 80 119.351 119.351 120.620 -1.269 25927 10816 1 18 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.643 -0.647 25927 10817 1 18 . 1 1 80 80 ALA C C 80 180.805 180.805 179.432 1.373 25927 10818 1 18 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.873 -0.216 25927 10819 1 18 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.459 0.898 25927 10820 1 18 . 1 1 80 80 ALA H H 80 8.178 8.178 8.041 0.137 25927 10821 1 18 . 1 1 81 81 LEU N N 81 123.041 123.041 119.483 3.558 25927 10822 1 18 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.003 -0.139 25927 10823 1 18 . 1 1 81 81 LEU C C 81 179.526 179.526 179.063 0.463 25927 10824 1 18 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.748 1.137 25927 10825 1 18 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.594 0.957 25927 10826 1 18 . 1 1 81 81 LEU H H 81 8.469 8.469 7.243 1.226 25927 10827 1 18 . 1 1 82 82 ILE N N 82 119.350 119.350 118.387 0.963 25927 10828 1 18 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.575 0.252 25927 10829 1 18 . 1 1 82 82 ILE C C 82 179.375 179.375 178.207 1.168 25927 10830 1 18 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.368 -0.789 25927 10831 1 18 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.707 0.907 25927 10832 1 18 . 1 1 82 82 ILE H H 82 7.988 7.988 7.275 0.713 25927 10833 1 18 . 1 1 83 83 GLN N N 83 118.033 118.033 118.444 -0.411 25927 10834 1 18 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.937 0.256 25927 10835 1 18 . 1 1 83 83 GLN C C 83 179.932 179.932 178.631 1.301 25927 10836 1 18 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.834 0.329 25927 10837 1 18 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.052 0.642 25927 10838 1 18 . 1 1 83 83 GLN H H 83 8.665 8.665 8.139 0.526 25927 10839 1 18 . 1 1 84 84 THR N N 84 118.583 118.583 115.234 3.349 25927 10840 1 18 . 1 1 84 84 THR HA H 84 3.813 3.813 4.073 -0.260 25927 10841 1 18 . 1 1 84 84 THR C C 84 175.824 175.824 176.242 -0.418 25927 10842 1 18 . 1 1 84 84 THR CA C 84 68.515 68.515 67.541 0.974 25927 10843 1 18 . 1 1 84 84 THR CB C 84 67.514 67.514 68.813 -1.299 25927 10844 1 18 . 1 1 84 84 THR H H 84 8.355 8.355 8.220 0.135 25927 10845 1 18 . 1 1 85 85 GLU N N 85 121.547 121.547 120.754 0.793 25927 10846 1 18 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.106 0.067 25927 10847 1 18 . 1 1 85 85 GLU C C 85 178.637 178.637 178.511 0.126 25927 10848 1 18 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.150 1.226 25927 10849 1 18 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.844 0.368 25927 10850 1 18 . 1 1 85 85 GLU H H 85 7.846 7.846 7.792 0.054 25927 10851 1 18 . 1 1 86 86 GLU N N 86 118.203 118.203 119.468 -1.265 25927 10852 1 18 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.029 0.075 25927 10853 1 18 . 1 1 86 86 GLU C C 86 179.080 179.080 178.866 0.214 25927 10854 1 18 . 1 1 86 86 GLU CA C 86 59.684 59.684 58.992 0.692 25927 10855 1 18 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.082 0.476 25927 10856 1 18 . 1 1 86 86 GLU H H 86 8.154 8.154 8.531 -0.377 25927 10857 1 18 . 1 1 87 87 ALA N N 87 121.242 121.242 121.537 -0.295 25927 10858 1 18 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.128 0.048 25927 10859 1 18 . 1 1 87 87 ALA C C 87 181.299 181.299 179.013 2.286 25927 10860 1 18 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.853 0.363 25927 10861 1 18 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.645 0.588 25927 10862 1 18 . 1 1 87 87 ALA H H 87 8.181 8.181 7.483 0.698 25927 10863 1 18 . 1 1 88 88 LEU N N 88 119.086 119.086 117.287 1.799 25927 10864 1 18 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.055 -0.058 25927 10865 1 18 . 1 1 88 88 LEU C C 88 179.526 179.526 178.487 1.039 25927 10866 1 18 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.266 1.282 25927 10867 1 18 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.407 -0.164 25927 10868 1 18 . 1 1 88 88 LEU H H 88 8.379 8.379 7.502 0.877 25927 10869 1 18 . 1 1 89 89 ASN N N 89 119.429 119.429 118.815 0.614 25927 10870 1 18 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.471 0.096 25927 10871 1 18 . 1 1 89 89 ASN C C 89 177.117 177.117 177.358 -0.241 25927 10872 1 18 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.503 -0.499 25927 10873 1 18 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.033 0.316 25927 10874 1 18 . 1 1 89 89 ASN H H 89 8.271 8.271 8.723 -0.452 25927 10875 1 18 . 1 1 90 90 ARG N N 90 118.735 118.735 117.535 1.200 25927 10876 1 18 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.448 -0.295 25927 10877 1 18 . 1 1 90 90 ARG C C 90 177.836 177.836 177.313 0.523 25927 10878 1 18 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.355 2.219 25927 10879 1 18 . 1 1 90 90 ARG CB C 90 30.230 30.230 29.985 0.244 25927 10880 1 18 . 1 1 90 90 ARG H H 90 8.010 8.010 7.866 0.144 25927 10881 1 18 . 1 1 91 91 ARG N N 91 118.976 118.976 119.126 -0.150 25927 10882 1 18 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.238 -0.029 25927 10883 1 18 . 1 1 91 91 ARG C C 91 177.455 177.455 177.867 -0.412 25927 10884 1 18 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.512 -0.486 25927 10885 1 18 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.074 -0.287 25927 10886 1 18 . 1 1 91 91 ARG H H 91 7.833 7.833 7.697 0.136 25927 10887 1 18 . 1 1 92 92 GLN N N 92 118.834 118.834 113.841 4.993 25927 10888 1 18 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.515 -0.258 25927 10889 1 18 . 1 1 92 92 GLN C C 92 177.362 177.362 177.536 -0.174 25927 10890 1 18 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.885 0.603 25927 10891 1 18 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.713 -1.581 25927 10892 1 18 . 1 1 92 92 GLN H H 92 7.988 7.988 8.188 -0.200 25927 10893 1 18 . 1 1 93 93 ILE N N 93 120.499 120.499 122.551 -2.052 25927 10894 1 18 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.801 0.215 25927 10895 1 18 . 1 1 93 93 ILE C C 93 177.002 177.002 176.774 0.228 25927 10896 1 18 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.870 -2.009 25927 10897 1 18 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.368 1.200 25927 10898 1 18 . 1 1 93 93 ILE H H 93 7.976 7.976 7.904 0.072 25927 10899 1 18 . 1 1 94 94 ASN N N 94 120.172 120.172 119.501 0.671 25927 10900 1 18 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.283 0.356 25927 10901 1 18 . 1 1 94 94 ASN C C 94 176.336 176.336 177.489 -1.153 25927 10902 1 18 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.201 -1.884 25927 10903 1 18 . 1 1 94 94 ASN CB C 94 38.600 38.600 37.157 1.443 25927 10904 1 18 . 1 1 94 94 ASN H H 94 8.272 8.272 8.116 0.156 25927 10905 1 18 . 1 1 95 95 GLN N N 95 120.288 120.288 118.549 1.739 25927 10906 1 18 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.014 0.166 25927 10907 1 18 . 1 1 95 95 GLN C C 95 176.701 176.701 176.660 0.041 25927 10908 1 18 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.273 -1.094 25927 10909 1 18 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.619 0.377 25927 10910 1 18 . 1 1 95 95 GLN H H 95 8.303 8.303 7.983 0.320 25927 10911 1 18 . 1 1 96 96 ALA N N 96 123.219 123.219 119.910 3.309 25927 10912 1 18 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.310 -0.049 25927 10913 1 18 . 1 1 96 96 ALA C C 96 178.429 178.429 179.634 -1.205 25927 10914 1 18 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.170 -0.738 25927 10915 1 18 . 1 1 96 96 ALA CB C 96 18.773 18.773 19.190 -0.417 25927 10916 1 18 . 1 1 96 96 ALA H H 96 8.112 8.112 7.507 0.605 25927 10917 1 18 . 1 1 97 97 LEU N N 97 119.452 119.452 118.160 1.292 25927 10918 1 18 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.463 -0.162 25927 10919 1 18 . 1 1 97 97 LEU C C 97 177.834 177.834 179.213 -1.379 25927 10920 1 18 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.477 -1.731 25927 10921 1 18 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.571 0.719 25927 10922 1 18 . 1 1 97 97 LEU H H 97 7.932 7.932 8.197 -0.265 25927 10923 1 18 . 1 1 98 98 LEU N N 98 121.124 121.124 119.892 1.232 25927 10924 1 18 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.397 -0.020 25927 10925 1 18 . 1 1 98 98 LEU C C 98 177.729 177.729 178.075 -0.346 25927 10926 1 18 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.049 -1.623 25927 10927 1 18 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.103 0.303 25927 10928 1 18 . 1 1 98 98 LEU H H 98 7.947 7.947 7.863 0.084 25927 10929 1 18 . 1 1 99 99 SER N N 99 115.913 115.913 113.036 2.877 25927 10930 1 18 . 1 1 99 99 SER HA H 99 4.525 4.525 4.410 0.115 25927 10931 1 18 . 1 1 99 99 SER C C 99 174.980 174.980 174.320 0.660 25927 10932 1 18 . 1 1 99 99 SER CA C 99 58.478 58.478 59.970 -1.492 25927 10933 1 18 . 1 1 99 99 SER CB C 99 63.839 63.839 63.657 0.182 25927 10934 1 18 . 1 1 99 99 SER H H 99 8.238 8.238 7.918 0.320 25927 10935 1 18 . 1 1 100 100 THR N N 100 114.610 114.610 114.717 -0.107 25927 10936 1 18 . 1 1 100 100 THR HA H 100 4.361 4.361 4.448 -0.087 25927 10937 1 18 . 1 1 100 100 THR C C 100 175.368 175.368 173.322 2.046 25927 10938 1 18 . 1 1 100 100 THR CA C 100 62.195 62.195 62.865 -0.670 25927 10939 1 18 . 1 1 100 100 THR CB C 100 69.794 69.794 69.291 0.503 25927 10940 1 18 . 1 1 100 100 THR H H 100 8.140 8.140 7.118 1.022 25927 10941 1 18 . 1 1 101 101 GLY N N 101 110.650 110.650 116.611 -5.961 25927 10942 1 18 . 1 1 101 101 GLY C C 101 173.935 173.935 173.728 0.207 25927 10943 1 18 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.693 0.800 25927 10944 1 18 . 1 1 101 101 GLY H H 101 8.353 8.353 8.438 -0.085 25927 10945 1 18 . 1 1 102 102 ASP N N 102 120.512 120.512 119.708 0.804 25927 10946 1 18 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.473 0.130 25927 10947 1 18 . 1 1 102 102 ASP C C 102 176.419 176.419 176.975 -0.556 25927 10948 1 18 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.806 -0.515 25927 10949 1 18 . 1 1 102 102 ASP CB C 102 41.277 41.277 41.911 -0.634 25927 10950 1 18 . 1 1 102 102 ASP H H 102 8.204 8.204 8.151 0.053 25927 10951 1 18 . 1 1 103 103 LEU N N 103 122.331 122.331 121.759 0.572 25927 10952 1 18 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.274 -0.016 25927 10953 1 18 . 1 1 103 103 LEU C C 103 177.394 177.394 176.728 0.666 25927 10954 1 18 . 1 1 103 103 LEU CA C 103 55.528 55.528 56.021 -0.493 25927 10955 1 18 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.269 -0.041 25927 10956 1 18 . 1 1 103 103 LEU H H 103 8.170 8.170 8.238 -0.068 25927 10957 1 18 . 1 1 104 104 ALA N N 104 123.139 123.139 127.106 -3.967 25927 10958 1 18 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.395 -0.195 25927 10959 1 18 . 1 1 104 104 ALA C C 104 177.730 177.730 176.653 1.077 25927 10960 1 18 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.101 0.673 25927 10961 1 18 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.079 -0.074 25927 10962 1 18 . 1 1 104 104 ALA H H 104 8.150 8.150 8.518 -0.368 25927 10963 1 18 . 1 1 105 105 HIS N N 105 117.105 117.105 118.528 -1.423 25927 10964 1 18 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.548 0.093 25927 10965 1 18 . 1 1 105 105 HIS C C 105 174.414 174.414 175.213 -0.799 25927 10966 1 18 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.273 -1.753 25927 10967 1 18 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.310 -1.032 25927 10968 1 18 . 1 1 105 105 HIS H H 105 8.239 8.239 8.220 0.019 25927 10969 1 18 . 1 1 106 106 ASP N N 106 121.315 121.315 119.197 2.118 25927 10970 1 18 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.762 -0.159 25927 10971 1 18 . 1 1 106 106 ASP C C 106 176.370 176.370 175.495 0.875 25927 10972 1 18 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.166 0.153 25927 10973 1 18 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.529 0.885 25927 10974 1 18 . 1 1 106 106 ASP H H 106 8.298 8.298 8.329 -0.031 25927 10975 1 18 . 1 1 107 107 GLU N N 107 121.228 121.228 121.748 -0.520 25927 10976 1 18 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.025 0.083 25927 10977 1 18 . 1 1 107 107 GLU C C 107 176.248 176.248 176.083 0.165 25927 10978 1 18 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.762 -0.570 25927 10979 1 18 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.154 -0.059 25927 10980 1 18 . 1 1 107 107 GLU H H 107 8.536 8.536 8.745 -0.209 25927 10981 1 19 . 1 1 2 2 VAL N N 2 119.413 119.413 120.319 -0.906 25927 10982 1 19 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.272 -0.140 25927 10983 1 19 . 1 1 2 2 VAL C C 2 175.957 175.957 174.806 1.151 25927 10984 1 19 . 1 1 2 2 VAL CA C 2 62.517 62.517 61.800 0.717 25927 10985 1 19 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.998 -1.322 25927 10986 1 19 . 1 1 2 2 VAL H H 2 8.453 8.453 8.312 0.141 25927 10987 1 19 . 1 1 3 3 GLU N N 3 125.255 125.255 127.591 -2.336 25927 10988 1 19 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.732 -0.384 25927 10989 1 19 . 1 1 3 3 GLU C C 3 176.154 176.154 175.079 1.075 25927 10990 1 19 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.028 0.441 25927 10991 1 19 . 1 1 3 3 GLU CB C 3 30.382 30.382 30.044 0.338 25927 10992 1 19 . 1 1 3 3 GLU H H 3 8.587 8.587 8.488 0.099 25927 10993 1 19 . 1 1 4 4 VAL N N 4 121.132 121.132 123.254 -2.122 25927 10994 1 19 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.182 -0.061 25927 10995 1 19 . 1 1 4 4 VAL C C 4 175.762 175.762 176.034 -0.272 25927 10996 1 19 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.423 0.605 25927 10997 1 19 . 1 1 4 4 VAL CB C 4 33.056 33.056 34.397 -1.341 25927 10998 1 19 . 1 1 4 4 VAL H H 4 8.172 8.172 8.071 0.101 25927 10999 1 19 . 1 1 5 5 GLU N N 5 125.223 125.223 126.715 -1.492 25927 11000 1 19 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.279 0.045 25927 11001 1 19 . 1 1 5 5 GLU C C 5 176.006 176.006 175.861 0.145 25927 11002 1 19 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.766 -0.377 25927 11003 1 19 . 1 1 5 5 GLU CB C 5 30.419 30.419 28.373 2.046 25927 11004 1 19 . 1 1 5 5 GLU H H 5 8.472 8.472 8.846 -0.374 25927 11005 1 19 . 1 1 6 6 VAL N N 6 123.435 123.435 122.382 1.053 25927 11006 1 19 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.951 0.485 25927 11007 1 19 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.843 -5.097 25927 11008 1 19 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.908 1.830 25927 11009 1 19 . 1 1 6 6 VAL H H 6 8.288 8.288 8.098 0.190 25927 11010 1 19 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.624 -0.188 25927 11011 1 19 . 1 1 7 7 PRO C C 7 177.461 177.461 176.388 1.073 25927 11012 1 19 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.398 0.947 25927 11013 1 19 . 1 1 7 7 PRO CB C 7 32.304 32.304 33.023 -0.719 25927 11014 1 19 . 1 1 8 8 GLY N N 8 108.925 108.925 106.097 2.828 25927 11015 1 19 . 1 1 8 8 GLY C C 8 173.995 173.995 173.005 0.990 25927 11016 1 19 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.774 0.652 25927 11017 1 19 . 1 1 8 8 GLY H H 8 8.334 8.334 8.202 0.132 25927 11018 1 19 . 1 1 9 9 LEU N N 9 121.559 121.559 122.033 -0.474 25927 11019 1 19 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.781 -0.322 25927 11020 1 19 . 1 1 9 9 LEU C C 9 176.870 176.870 175.522 1.348 25927 11021 1 19 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.104 1.517 25927 11022 1 19 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.552 0.496 25927 11023 1 19 . 1 1 9 9 LEU H H 9 8.150 8.150 8.663 -0.513 25927 11024 1 19 . 1 1 10 10 LEU N N 10 122.690 122.690 123.417 -0.727 25927 11025 1 19 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.429 0.732 25927 11026 1 19 . 1 1 10 10 LEU C C 10 177.427 177.427 176.818 0.609 25927 11027 1 19 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.617 -1.755 25927 11028 1 19 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.478 2.170 25927 11029 1 19 . 1 1 10 10 LEU H H 10 8.348 8.348 7.954 0.394 25927 11030 1 19 . 1 1 11 11 THR N N 11 124.118 124.118 121.190 2.928 25927 11031 1 19 . 1 1 11 11 THR HA H 11 4.295 4.295 4.452 -0.157 25927 11032 1 19 . 1 1 11 11 THR C C 11 172.853 172.853 173.900 -1.047 25927 11033 1 19 . 1 1 11 11 THR CA C 11 63.577 63.577 61.286 2.291 25927 11034 1 19 . 1 1 11 11 THR CB C 11 69.325 69.325 70.748 -1.423 25927 11035 1 19 . 1 1 11 11 THR H H 11 9.186 9.186 8.281 0.905 25927 11036 1 19 . 1 1 12 12 ASP N N 12 127.226 127.226 125.819 1.407 25927 11037 1 19 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.900 0.397 25927 11038 1 19 . 1 1 12 12 ASP C C 12 176.060 176.060 175.844 0.216 25927 11039 1 19 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.516 0.263 25927 11040 1 19 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.993 1.050 25927 11041 1 19 . 1 1 12 12 ASP H H 12 8.880 8.880 8.426 0.454 25927 11042 1 19 . 1 1 13 13 HIS N N 13 127.146 127.146 122.003 5.143 25927 11043 1 19 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.470 0.838 25927 11044 1 19 . 1 1 13 13 HIS C C 13 175.365 175.365 173.830 1.535 25927 11045 1 19 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.473 -2.315 25927 11046 1 19 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.756 1.198 25927 11047 1 19 . 1 1 13 13 HIS H H 13 8.867 8.867 7.911 0.956 25927 11048 1 19 . 1 1 14 14 THR N N 14 112.885 112.885 110.125 2.760 25927 11049 1 19 . 1 1 14 14 THR HA H 14 4.522 4.522 4.630 -0.108 25927 11050 1 19 . 1 1 14 14 THR C C 14 174.626 174.626 174.261 0.365 25927 11051 1 19 . 1 1 14 14 THR CA C 14 63.245 63.245 60.684 2.561 25927 11052 1 19 . 1 1 14 14 THR CB C 14 70.178 70.178 70.941 -0.763 25927 11053 1 19 . 1 1 14 14 THR H H 14 8.583 8.583 7.723 0.860 25927 11054 1 19 . 1 1 15 15 VAL N N 15 113.207 113.207 118.476 -5.269 25927 11055 1 19 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.454 0.191 25927 11056 1 19 . 1 1 15 15 VAL C C 15 175.216 175.216 174.579 0.637 25927 11057 1 19 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.602 0.661 25927 11058 1 19 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.514 2.866 25927 11059 1 19 . 1 1 15 15 VAL H H 15 9.104 9.104 8.277 0.827 25927 11060 1 19 . 1 1 16 16 SER N N 16 122.970 122.970 115.074 7.896 25927 11061 1 19 . 1 1 16 16 SER HA H 16 4.196 4.196 4.785 -0.589 25927 11062 1 19 . 1 1 16 16 SER C C 16 174.515 174.515 175.806 -1.291 25927 11063 1 19 . 1 1 16 16 SER CA C 16 57.126 57.126 56.161 0.965 25927 11064 1 19 . 1 1 16 16 SER CB C 16 67.073 67.073 65.067 2.006 25927 11065 1 19 . 1 1 16 16 SER H H 16 9.340 9.340 7.644 1.696 25927 11066 1 19 . 1 1 17 17 SER N N 17 116.643 116.643 122.093 -5.450 25927 11067 1 19 . 1 1 17 17 SER HA H 17 4.157 4.157 4.352 -0.195 25927 11068 1 19 . 1 1 17 17 SER C C 17 176.576 176.576 175.622 0.954 25927 11069 1 19 . 1 1 17 17 SER CA C 17 62.451 62.451 61.342 1.109 25927 11070 1 19 . 1 1 17 17 SER CB C 17 62.539 62.539 63.126 -0.586 25927 11071 1 19 . 1 1 17 17 SER H H 17 8.926 8.926 8.937 -0.011 25927 11072 1 19 . 1 1 18 18 ILE N N 18 120.198 120.198 114.241 5.957 25927 11073 1 19 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.419 -0.348 25927 11074 1 19 . 1 1 18 18 ILE C C 18 177.925 177.925 177.598 0.327 25927 11075 1 19 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.343 2.038 25927 11076 1 19 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.450 -0.870 25927 11077 1 19 . 1 1 18 18 ILE H H 18 7.848 7.848 7.576 0.272 25927 11078 1 19 . 1 1 19 19 GLY N N 19 111.905 111.905 108.546 3.359 25927 11079 1 19 . 1 1 19 19 GLY C C 19 176.153 176.153 176.059 0.094 25927 11080 1 19 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.157 -0.317 25927 11081 1 19 . 1 1 19 19 GLY H H 19 7.921 7.921 8.141 -0.220 25927 11082 1 19 . 1 1 20 20 HIS N N 20 120.808 120.808 121.331 -0.523 25927 11083 1 19 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.482 0.280 25927 11084 1 19 . 1 1 20 20 HIS C C 20 178.606 178.606 176.863 1.743 25927 11085 1 19 . 1 1 20 20 HIS CA C 20 57.858 57.858 58.338 -0.480 25927 11086 1 19 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.256 -2.541 25927 11087 1 19 . 1 1 20 20 HIS H H 20 8.842 8.842 8.555 0.287 25927 11088 1 19 . 1 1 21 21 ASP N N 21 121.572 121.572 119.714 1.858 25927 11089 1 19 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.413 0.121 25927 11090 1 19 . 1 1 21 21 ASP C C 21 179.630 179.630 178.624 1.006 25927 11091 1 19 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.546 -0.041 25927 11092 1 19 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.782 -1.017 25927 11093 1 19 . 1 1 21 21 ASP H H 21 8.592 8.592 7.658 0.934 25927 11094 1 19 . 1 1 22 22 PHE N N 22 123.889 123.889 122.568 1.321 25927 11095 1 19 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.123 -0.028 25927 11096 1 19 . 1 1 22 22 PHE C C 22 175.647 175.647 176.650 -1.003 25927 11097 1 19 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.039 0.889 25927 11098 1 19 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.142 0.004 25927 11099 1 19 . 1 1 22 22 PHE H H 22 8.790 8.790 8.925 -0.135 25927 11100 1 19 . 1 1 23 23 TYR N N 23 119.855 119.855 120.201 -0.346 25927 11101 1 19 . 1 1 23 23 TYR HA H 23 3.781 3.781 4.046 -0.265 25927 11102 1 19 . 1 1 23 23 TYR C C 23 177.585 177.585 177.383 0.202 25927 11103 1 19 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.907 0.066 25927 11104 1 19 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.489 -0.110 25927 11105 1 19 . 1 1 23 23 TYR H H 23 9.008 9.008 7.985 1.023 25927 11106 1 19 . 1 1 24 24 ARG N N 24 120.673 120.673 118.716 1.957 25927 11107 1 19 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.877 -0.159 25927 11108 1 19 . 1 1 24 24 ARG C C 24 177.149 177.149 178.761 -1.612 25927 11109 1 19 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.277 0.083 25927 11110 1 19 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.263 0.171 25927 11111 1 19 . 1 1 24 24 ARG H H 24 8.576 8.576 7.724 0.852 25927 11112 1 19 . 1 1 25 25 ALA N N 25 120.718 120.718 122.646 -1.928 25927 11113 1 19 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.114 -0.003 25927 11114 1 19 . 1 1 25 25 ALA C C 25 179.502 179.502 179.125 0.377 25927 11115 1 19 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.781 0.029 25927 11116 1 19 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.608 0.782 25927 11117 1 19 . 1 1 25 25 ALA H H 25 8.080 8.080 8.493 -0.413 25927 11118 1 19 . 1 1 26 26 PHE N N 26 118.193 118.193 119.348 -1.155 25927 11119 1 19 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.886 -0.388 25927 11120 1 19 . 1 1 26 26 PHE C C 26 177.120 177.120 176.837 0.283 25927 11121 1 19 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.598 0.699 25927 11122 1 19 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.008 0.899 25927 11123 1 19 . 1 1 26 26 PHE H H 26 8.467 8.467 8.217 0.250 25927 11124 1 19 . 1 1 27 27 SER N N 27 112.572 112.572 113.971 -1.399 25927 11125 1 19 . 1 1 27 27 SER HA H 27 3.845 3.845 4.258 -0.413 25927 11126 1 19 . 1 1 27 27 SER C C 27 176.828 176.828 176.481 0.347 25927 11127 1 19 . 1 1 27 27 SER CA C 27 61.656 61.656 61.056 0.600 25927 11128 1 19 . 1 1 27 27 SER CB C 27 62.952 62.952 62.861 0.091 25927 11129 1 19 . 1 1 27 27 SER H H 27 8.477 8.477 8.067 0.410 25927 11130 1 19 . 1 1 28 28 ASP N N 28 119.022 119.022 121.477 -2.455 25927 11131 1 19 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.503 -0.079 25927 11132 1 19 . 1 1 28 28 ASP C C 28 177.325 177.325 177.327 -0.002 25927 11133 1 19 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.370 0.287 25927 11134 1 19 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.940 0.334 25927 11135 1 19 . 1 1 28 28 ASP H H 28 8.019 8.019 7.997 0.022 25927 11136 1 19 . 1 1 29 29 LYS N N 29 115.330 115.330 115.684 -0.354 25927 11137 1 19 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.378 -0.019 25927 11138 1 19 . 1 1 29 29 LYS C C 29 175.910 175.910 176.364 -0.454 25927 11139 1 19 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.311 -0.147 25927 11140 1 19 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.689 2.621 25927 11141 1 19 . 1 1 29 29 LYS H H 29 6.910 6.910 7.441 -0.531 25927 11142 1 19 . 1 1 30 30 TRP N N 30 122.847 122.847 124.197 -1.350 25927 11143 1 19 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.116 0.061 25927 11144 1 19 . 1 1 30 30 TRP C C 30 175.188 175.188 175.138 0.050 25927 11145 1 19 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.833 -0.792 25927 11146 1 19 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.647 0.273 25927 11147 1 19 . 1 1 30 30 TRP H H 30 7.638 7.638 7.611 0.027 25927 11148 1 19 . 1 1 31 31 GLU N N 31 128.182 128.182 125.036 3.146 25927 11149 1 19 . 1 1 31 31 GLU HA H 31 4.159 4.159 3.963 0.196 25927 11150 1 19 . 1 1 31 31 GLU C C 31 173.960 173.960 173.506 0.454 25927 11151 1 19 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.070 0.044 25927 11152 1 19 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.767 -0.684 25927 11153 1 19 . 1 1 31 31 GLU H H 31 7.426 7.426 7.378 0.048 25927 11154 1 19 . 1 1 32 32 SER N N 32 115.672 115.672 115.695 -0.023 25927 11155 1 19 . 1 1 32 32 SER HA H 32 4.100 4.100 4.637 -0.537 25927 11156 1 19 . 1 1 32 32 SER C C 32 173.864 173.864 173.482 0.382 25927 11157 1 19 . 1 1 32 32 SER CA C 32 57.344 57.344 57.581 -0.237 25927 11158 1 19 . 1 1 32 32 SER CB C 32 64.220 64.220 65.075 -0.855 25927 11159 1 19 . 1 1 32 32 SER H H 32 7.276 7.276 7.947 -0.671 25927 11160 1 19 . 1 1 33 33 ASP N N 33 123.759 123.759 121.659 2.100 25927 11161 1 19 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.615 0.008 25927 11162 1 19 . 1 1 33 33 ASP C C 33 176.175 176.175 176.664 -0.489 25927 11163 1 19 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.803 -0.674 25927 11164 1 19 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.197 -0.587 25927 11165 1 19 . 1 1 33 33 ASP H H 33 8.429 8.429 8.648 -0.219 25927 11166 1 19 . 1 1 34 34 TYR N N 34 122.283 122.283 118.788 3.495 25927 11167 1 19 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.625 -0.051 25927 11168 1 19 . 1 1 34 34 TYR C C 34 177.025 177.025 176.119 0.906 25927 11169 1 19 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.230 1.587 25927 11170 1 19 . 1 1 34 34 TYR CB C 34 39.134 39.134 38.531 0.603 25927 11171 1 19 . 1 1 34 34 TYR H H 34 8.649 8.649 7.790 0.859 25927 11172 1 19 . 1 1 35 35 THR N N 35 116.852 116.852 112.445 4.407 25927 11173 1 19 . 1 1 35 35 THR HA H 35 4.311 4.311 4.136 0.175 25927 11174 1 19 . 1 1 35 35 THR C C 35 174.704 174.704 174.058 0.646 25927 11175 1 19 . 1 1 35 35 THR CA C 35 61.364 61.364 63.095 -1.731 25927 11176 1 19 . 1 1 35 35 THR CB C 35 69.454 69.454 68.809 0.645 25927 11177 1 19 . 1 1 35 35 THR H H 35 8.067 8.067 8.358 -0.291 25927 11178 1 19 . 1 1 36 36 GLY N N 36 107.698 107.698 107.328 0.370 25927 11179 1 19 . 1 1 36 36 GLY C C 36 171.455 171.455 173.999 -2.544 25927 11180 1 19 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.016 -0.498 25927 11181 1 19 . 1 1 36 36 GLY H H 36 5.732 5.732 6.459 -0.727 25927 11182 1 19 . 1 1 37 37 ASN N N 37 117.424 117.424 119.050 -1.626 25927 11183 1 19 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.759 0.226 25927 11184 1 19 . 1 1 37 37 ASN C C 37 175.393 175.393 173.750 1.643 25927 11185 1 19 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.318 0.515 25927 11186 1 19 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.525 2.988 25927 11187 1 19 . 1 1 37 37 ASN H H 37 8.346 8.346 8.435 -0.089 25927 11188 1 19 . 1 1 38 38 LEU N N 38 126.809 126.809 119.393 7.416 25927 11189 1 19 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.627 -0.629 25927 11190 1 19 . 1 1 38 38 LEU C C 38 175.770 175.770 175.301 0.469 25927 11191 1 19 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.772 2.242 25927 11192 1 19 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.792 -0.726 25927 11193 1 19 . 1 1 38 38 LEU H H 38 8.469 8.469 7.668 0.801 25927 11194 1 19 . 1 1 39 39 THR N N 39 119.369 119.369 113.487 5.882 25927 11195 1 19 . 1 1 39 39 THR HA H 39 4.799 4.799 4.904 -0.105 25927 11196 1 19 . 1 1 39 39 THR C C 39 172.224 172.224 172.664 -0.440 25927 11197 1 19 . 1 1 39 39 THR CA C 39 61.958 61.958 60.666 1.292 25927 11198 1 19 . 1 1 39 39 THR CB C 39 70.327 70.327 72.107 -1.780 25927 11199 1 19 . 1 1 39 39 THR H H 39 8.849 8.849 8.857 -0.008 25927 11200 1 19 . 1 1 40 40 ILE N N 40 125.490 125.490 123.557 1.933 25927 11201 1 19 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.389 0.131 25927 11202 1 19 . 1 1 40 40 ILE C C 40 173.125 173.125 173.740 -0.615 25927 11203 1 19 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.329 0.852 25927 11204 1 19 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.374 -2.924 25927 11205 1 19 . 1 1 40 40 ILE H H 40 8.562 8.562 7.931 0.631 25927 11206 1 19 . 1 1 41 41 ASN N N 41 124.656 124.656 123.908 0.748 25927 11207 1 19 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.701 -0.801 25927 11208 1 19 . 1 1 41 41 ASN C C 41 173.445 173.445 173.990 -0.545 25927 11209 1 19 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.619 0.460 25927 11210 1 19 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.456 -0.340 25927 11211 1 19 . 1 1 41 41 ASN H H 41 9.173 9.173 8.789 0.384 25927 11212 1 19 . 1 1 42 42 GLU N N 42 120.095 120.095 121.396 -1.301 25927 11213 1 19 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.312 0.073 25927 11214 1 19 . 1 1 42 42 GLU C C 42 173.971 173.971 175.350 -1.379 25927 11215 1 19 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.715 -0.585 25927 11216 1 19 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.305 2.152 25927 11217 1 19 . 1 1 42 42 GLU H H 42 7.741 7.741 8.246 -0.505 25927 11218 1 19 . 1 1 43 43 ARG N N 43 127.178 127.178 121.267 5.911 25927 11219 1 19 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.794 0.239 25927 11220 1 19 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.354 0.341 25927 11221 1 19 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.189 0.299 25927 11222 1 19 . 1 1 43 43 ARG H H 43 9.039 9.039 8.673 0.366 25927 11223 1 19 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.929 -0.202 25927 11224 1 19 . 1 1 44 44 PRO C C 44 176.335 176.335 176.279 0.056 25927 11225 1 19 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.324 1.018 25927 11226 1 19 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.542 0.132 25927 11227 1 19 . 1 1 45 45 SER N N 45 117.089 117.089 119.329 -2.240 25927 11228 1 19 . 1 1 45 45 SER HA H 45 4.837 4.837 4.707 0.130 25927 11229 1 19 . 1 1 45 45 SER C C 45 174.334 174.334 174.932 -0.598 25927 11230 1 19 . 1 1 45 45 SER CA C 45 56.688 56.688 57.641 -0.953 25927 11231 1 19 . 1 1 45 45 SER CB C 45 64.628 64.628 65.105 -0.477 25927 11232 1 19 . 1 1 45 45 SER H H 45 8.497 8.497 8.977 -0.480 25927 11233 1 19 . 1 1 46 46 ALA N N 46 126.901 126.901 130.474 -3.573 25927 11234 1 19 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.298 -0.076 25927 11235 1 19 . 1 1 46 46 ALA C C 46 178.171 178.171 178.525 -0.354 25927 11236 1 19 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.053 0.035 25927 11237 1 19 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.600 -0.008 25927 11238 1 19 . 1 1 46 46 ALA H H 46 8.780 8.780 8.844 -0.064 25927 11239 1 19 . 1 1 47 47 ARG N N 47 117.860 117.860 117.416 0.444 25927 11240 1 19 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.121 0.289 25927 11241 1 19 . 1 1 47 47 ARG C C 47 175.674 175.674 176.938 -1.264 25927 11242 1 19 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.327 -2.075 25927 11243 1 19 . 1 1 47 47 ARG CB C 47 30.586 30.586 30.357 0.230 25927 11244 1 19 . 1 1 47 47 ARG H H 47 8.381 8.381 7.965 0.416 25927 11245 1 19 . 1 1 48 48 ALA N N 48 121.099 121.099 117.479 3.620 25927 11246 1 19 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.548 -0.129 25927 11247 1 19 . 1 1 48 48 ALA C C 48 176.874 176.874 175.843 1.031 25927 11248 1 19 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.155 1.113 25927 11249 1 19 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.221 -1.440 25927 11250 1 19 . 1 1 48 48 ALA H H 48 8.012 8.012 7.877 0.135 25927 11251 1 19 . 1 1 49 49 GLY N N 49 106.126 106.126 107.253 -1.127 25927 11252 1 19 . 1 1 49 49 GLY C C 49 172.803 172.803 172.061 0.742 25927 11253 1 19 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.956 -1.466 25927 11254 1 19 . 1 1 49 49 GLY H H 49 7.946 7.946 8.523 -0.577 25927 11255 1 19 . 1 1 50 50 SER N N 50 113.972 113.972 116.358 -2.386 25927 11256 1 19 . 1 1 50 50 SER HA H 50 4.736 4.736 5.110 -0.374 25927 11257 1 19 . 1 1 50 50 SER C C 50 171.367 171.367 172.701 -1.334 25927 11258 1 19 . 1 1 50 50 SER CA C 50 57.165 57.165 56.209 0.956 25927 11259 1 19 . 1 1 50 50 SER CB C 50 66.797 66.797 66.195 0.602 25927 11260 1 19 . 1 1 50 50 SER H H 50 7.631 7.631 8.052 -0.421 25927 11261 1 19 . 1 1 51 51 TRP N N 51 121.787 121.787 123.876 -2.089 25927 11262 1 19 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.117 0.739 25927 11263 1 19 . 1 1 51 51 TRP C C 51 176.055 176.055 175.882 0.173 25927 11264 1 19 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.369 -0.576 25927 11265 1 19 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.378 0.155 25927 11266 1 19 . 1 1 51 51 TRP H H 51 8.588 8.588 8.510 0.078 25927 11267 1 19 . 1 1 52 52 ILE N N 52 126.898 126.898 124.778 2.120 25927 11268 1 19 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.802 0.269 25927 11269 1 19 . 1 1 52 52 ILE C C 52 175.754 175.754 175.113 0.641 25927 11270 1 19 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.557 -1.824 25927 11271 1 19 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.295 0.060 25927 11272 1 19 . 1 1 52 52 ILE H H 52 8.963 8.963 9.110 -0.147 25927 11273 1 19 . 1 1 53 53 THR N N 53 116.271 116.271 123.683 -7.412 25927 11274 1 19 . 1 1 53 53 THR HA H 53 5.095 5.095 4.783 0.312 25927 11275 1 19 . 1 1 53 53 THR C C 53 173.382 173.382 172.855 0.527 25927 11276 1 19 . 1 1 53 53 THR CA C 53 59.290 59.290 61.760 -2.470 25927 11277 1 19 . 1 1 53 53 THR CB C 53 71.819 71.819 70.811 1.008 25927 11278 1 19 . 1 1 53 53 THR H H 53 8.371 8.371 9.153 -0.782 25927 11279 1 19 . 1 1 54 54 ILE N N 54 124.947 124.947 129.738 -4.791 25927 11280 1 19 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.046 0.137 25927 11281 1 19 . 1 1 54 54 ILE C C 54 175.952 175.952 173.892 2.060 25927 11282 1 19 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.380 2.214 25927 11283 1 19 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.796 -2.179 25927 11284 1 19 . 1 1 54 54 ILE H H 54 9.056 9.056 9.030 0.026 25927 11285 1 19 . 1 1 55 55 THR N N 55 118.298 118.298 123.147 -4.849 25927 11286 1 19 . 1 1 55 55 THR HA H 55 5.458 5.458 5.106 0.352 25927 11287 1 19 . 1 1 55 55 THR C C 55 173.980 173.980 173.571 0.409 25927 11288 1 19 . 1 1 55 55 THR CA C 55 58.717 58.717 59.778 -1.061 25927 11289 1 19 . 1 1 55 55 THR CB C 55 71.839 71.839 70.997 0.842 25927 11290 1 19 . 1 1 55 55 THR H H 55 9.250 9.250 8.869 0.381 25927 11291 1 19 . 1 1 56 56 VAL N N 56 120.047 120.047 126.202 -6.155 25927 11292 1 19 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.670 -0.250 25927 11293 1 19 . 1 1 56 56 VAL C C 56 176.226 176.226 176.497 -0.271 25927 11294 1 19 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.781 -0.740 25927 11295 1 19 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.995 1.766 25927 11296 1 19 . 1 1 56 56 VAL H H 56 8.435 8.435 8.789 -0.354 25927 11297 1 19 . 1 1 57 57 ASN N N 57 125.479 125.479 126.779 -1.300 25927 11298 1 19 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.258 -0.063 25927 11299 1 19 . 1 1 57 57 ASN C C 57 175.026 175.026 175.647 -0.621 25927 11300 1 19 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.593 -0.897 25927 11301 1 19 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.361 -0.362 25927 11302 1 19 . 1 1 57 57 ASN H H 57 9.199 9.199 9.232 -0.033 25927 11303 1 19 . 1 1 58 58 GLN N N 58 116.897 116.897 116.349 0.548 25927 11304 1 19 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.493 -0.307 25927 11305 1 19 . 1 1 58 58 GLN C C 58 175.237 175.237 174.835 0.402 25927 11306 1 19 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.480 1.359 25927 11307 1 19 . 1 1 58 58 GLN CB C 58 28.583 28.583 30.930 -2.347 25927 11308 1 19 . 1 1 58 58 GLN H H 58 8.576 8.576 8.225 0.351 25927 11309 1 19 . 1 1 59 59 ASP N N 59 122.465 122.465 122.893 -0.428 25927 11310 1 19 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.890 -0.174 25927 11311 1 19 . 1 1 59 59 ASP C C 59 175.302 175.302 174.489 0.813 25927 11312 1 19 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.741 0.392 25927 11313 1 19 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.052 -2.599 25927 11314 1 19 . 1 1 59 59 ASP H H 59 8.343 8.343 8.271 0.072 25927 11315 1 19 . 1 1 60 60 VAL N N 60 124.577 124.577 123.762 0.815 25927 11316 1 19 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.125 -0.248 25927 11317 1 19 . 1 1 60 60 VAL C C 60 176.802 176.802 175.559 1.243 25927 11318 1 19 . 1 1 60 60 VAL CA C 60 63.781 63.781 63.009 0.772 25927 11319 1 19 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.701 -0.967 25927 11320 1 19 . 1 1 60 60 VAL H H 60 8.754 8.754 8.747 0.007 25927 11321 1 19 . 1 1 61 61 ILE N N 61 123.852 123.852 124.458 -0.606 25927 11322 1 19 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.574 -0.055 25927 11323 1 19 . 1 1 61 61 ILE C C 61 175.073 175.073 175.138 -0.065 25927 11324 1 19 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.227 -0.628 25927 11325 1 19 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.205 -1.235 25927 11326 1 19 . 1 1 61 61 ILE H H 61 8.984 8.984 8.094 0.890 25927 11327 1 19 . 1 1 62 62 PHE N N 62 119.927 119.927 121.024 -1.097 25927 11328 1 19 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.876 -0.230 25927 11329 1 19 . 1 1 62 62 PHE C C 62 171.958 171.958 172.759 -0.801 25927 11330 1 19 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.129 1.242 25927 11331 1 19 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.774 0.036 25927 11332 1 19 . 1 1 62 62 PHE H H 62 7.557 7.557 7.609 -0.052 25927 11333 1 19 . 1 1 63 63 GLN N N 63 125.524 125.524 122.695 2.829 25927 11334 1 19 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.805 0.304 25927 11335 1 19 . 1 1 63 63 GLN C C 63 172.837 172.837 173.562 -0.725 25927 11336 1 19 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.907 -0.145 25927 11337 1 19 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.782 -0.102 25927 11338 1 19 . 1 1 63 63 GLN H H 63 7.389 7.389 7.718 -0.329 25927 11339 1 19 . 1 1 64 64 THR N N 64 115.981 115.981 114.791 1.190 25927 11340 1 19 . 1 1 64 64 THR HA H 64 4.428 4.428 4.525 -0.097 25927 11341 1 19 . 1 1 64 64 THR C C 64 169.980 169.980 172.131 -2.151 25927 11342 1 19 . 1 1 64 64 THR CA C 64 60.555 60.555 61.020 -0.465 25927 11343 1 19 . 1 1 64 64 THR CB C 64 69.083 69.083 71.743 -2.660 25927 11344 1 19 . 1 1 64 64 THR H H 64 8.588 8.588 8.756 -0.168 25927 11345 1 19 . 1 1 65 65 PHE N N 65 125.997 125.997 123.617 2.380 25927 11346 1 19 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.679 -0.265 25927 11347 1 19 . 1 1 65 65 PHE C C 65 173.940 173.940 174.630 -0.690 25927 11348 1 19 . 1 1 65 65 PHE CA C 65 57.250 57.250 56.903 0.347 25927 11349 1 19 . 1 1 65 65 PHE CB C 65 40.713 40.713 39.845 0.868 25927 11350 1 19 . 1 1 65 65 PHE H H 65 8.054 8.054 8.310 -0.256 25927 11351 1 19 . 1 1 66 66 LEU N N 66 127.935 127.935 126.126 1.809 25927 11352 1 19 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.612 -0.160 25927 11353 1 19 . 1 1 66 66 LEU C C 66 174.502 174.502 175.413 -0.911 25927 11354 1 19 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.260 -0.651 25927 11355 1 19 . 1 1 66 66 LEU H H 66 8.383 8.383 8.666 -0.283 25927 11356 1 19 . 1 1 67 67 PHE N N 67 123.162 123.162 119.610 3.552 25927 11357 1 19 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.462 -0.838 25927 11358 1 19 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.616 -1.489 25927 11359 1 19 . 1 1 67 67 PHE H H 67 8.285 8.285 8.794 -0.509 25927 11360 1 19 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.509 -0.062 25927 11361 1 19 . 1 1 68 68 PRO C C 68 175.918 175.918 177.035 -1.117 25927 11362 1 19 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.079 -2.456 25927 11363 1 19 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.338 -0.117 25927 11364 1 19 . 1 1 69 69 LEU N N 69 121.360 121.360 120.262 1.098 25927 11365 1 19 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.358 -0.164 25927 11366 1 19 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.935 -0.684 25927 11367 1 19 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.264 -1.587 25927 11368 1 19 . 1 1 69 69 LEU H H 69 8.300 8.300 8.241 0.059 25927 11369 1 19 . 1 1 70 70 LYS N N 70 123.012 123.012 117.769 5.243 25927 11370 1 19 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.690 0.010 25927 11371 1 19 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.052 -3.332 25927 11372 1 19 . 1 1 70 70 LYS H H 70 8.156 8.156 7.889 0.267 25927 11373 1 19 . 1 1 71 71 ARG N N 71 125.250 125.250 122.046 3.204 25927 11374 1 19 . 1 1 71 71 ARG C C 71 179.581 179.581 176.813 2.768 25927 11375 1 19 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.198 1.020 25927 11376 1 19 . 1 1 71 71 ARG H H 71 8.279 8.279 8.861 -0.582 25927 11377 1 19 . 1 1 72 72 ASP N N 72 119.355 119.355 119.705 -0.350 25927 11378 1 19 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.494 0.252 25927 11379 1 19 . 1 1 72 72 ASP C C 72 177.124 177.124 177.497 -0.373 25927 11380 1 19 . 1 1 72 72 ASP CA C 72 55.673 55.673 56.191 -0.518 25927 11381 1 19 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.261 -0.214 25927 11382 1 19 . 1 1 72 72 ASP H H 72 8.182 8.182 8.393 -0.211 25927 11383 1 19 . 1 1 73 73 PHE N N 73 122.846 122.846 121.752 1.094 25927 11384 1 19 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.109 0.021 25927 11385 1 19 . 1 1 73 73 PHE C C 73 176.729 176.729 176.824 -0.095 25927 11386 1 19 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.154 0.868 25927 11387 1 19 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.222 0.982 25927 11388 1 19 . 1 1 73 73 PHE H H 73 8.197 8.197 8.230 -0.033 25927 11389 1 19 . 1 1 74 74 GLU N N 74 118.652 118.652 118.588 0.064 25927 11390 1 19 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.903 -0.059 25927 11391 1 19 . 1 1 74 74 GLU C C 74 179.310 179.310 178.724 0.586 25927 11392 1 19 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.726 0.925 25927 11393 1 19 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.388 -0.739 25927 11394 1 19 . 1 1 74 74 GLU H H 74 9.098 9.098 9.037 0.061 25927 11395 1 19 . 1 1 75 75 LYS N N 75 117.836 117.836 119.465 -1.629 25927 11396 1 19 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.088 -0.009 25927 11397 1 19 . 1 1 75 75 LYS C C 75 179.312 179.312 179.336 -0.024 25927 11398 1 19 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.434 -0.155 25927 11399 1 19 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.231 0.112 25927 11400 1 19 . 1 1 75 75 LYS H H 75 8.078 8.078 7.742 0.336 25927 11401 1 19 . 1 1 76 76 THR N N 76 118.581 118.581 117.555 1.026 25927 11402 1 19 . 1 1 76 76 THR HA H 76 4.168 4.168 4.151 0.017 25927 11403 1 19 . 1 1 76 76 THR C C 76 175.873 175.873 176.818 -0.945 25927 11404 1 19 . 1 1 76 76 THR CA C 76 67.009 67.009 66.924 0.085 25927 11405 1 19 . 1 1 76 76 THR CB C 76 68.404 68.404 68.574 -0.170 25927 11406 1 19 . 1 1 76 76 THR H H 76 8.031 8.031 8.366 -0.335 25927 11407 1 19 . 1 1 77 77 VAL N N 77 122.994 122.994 121.720 1.274 25927 11408 1 19 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.539 -0.147 25927 11409 1 19 . 1 1 77 77 VAL C C 77 177.137 177.137 177.583 -0.446 25927 11410 1 19 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.892 0.562 25927 11411 1 19 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.247 0.326 25927 11412 1 19 . 1 1 77 77 VAL H H 77 7.999 7.999 8.159 -0.160 25927 11413 1 19 . 1 1 78 78 VAL N N 78 117.994 117.994 118.946 -0.952 25927 11414 1 19 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.499 0.049 25927 11415 1 19 . 1 1 78 78 VAL C C 78 177.830 177.830 177.547 0.283 25927 11416 1 19 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.436 0.838 25927 11417 1 19 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.291 0.452 25927 11418 1 19 . 1 1 78 78 VAL H H 78 7.745 7.745 7.969 -0.224 25927 11419 1 19 . 1 1 79 79 ALA N N 79 120.460 120.460 121.236 -0.776 25927 11420 1 19 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.077 0.103 25927 11421 1 19 . 1 1 79 79 ALA C C 79 176.512 176.512 179.149 -2.637 25927 11422 1 19 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.940 0.161 25927 11423 1 19 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.108 0.062 25927 11424 1 19 . 1 1 79 79 ALA H H 79 7.844 7.844 8.494 -0.650 25927 11425 1 19 . 1 1 80 80 ALA N N 80 119.351 119.351 120.680 -1.329 25927 11426 1 19 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.788 -0.792 25927 11427 1 19 . 1 1 80 80 ALA C C 80 180.805 180.805 179.470 1.335 25927 11428 1 19 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.952 -0.295 25927 11429 1 19 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.500 0.858 25927 11430 1 19 . 1 1 80 80 ALA H H 80 8.178 8.178 8.071 0.107 25927 11431 1 19 . 1 1 81 81 LEU N N 81 123.041 123.041 119.475 3.566 25927 11432 1 19 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.038 -0.174 25927 11433 1 19 . 1 1 81 81 LEU C C 81 179.526 179.526 179.091 0.435 25927 11434 1 19 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.767 1.118 25927 11435 1 19 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.603 0.948 25927 11436 1 19 . 1 1 81 81 LEU H H 81 8.469 8.469 7.260 1.209 25927 11437 1 19 . 1 1 82 82 ILE N N 82 119.350 119.350 118.738 0.612 25927 11438 1 19 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.641 0.186 25927 11439 1 19 . 1 1 82 82 ILE C C 82 179.375 179.375 178.140 1.235 25927 11440 1 19 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.336 -0.757 25927 11441 1 19 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.651 0.963 25927 11442 1 19 . 1 1 82 82 ILE H H 82 7.988 7.988 7.313 0.675 25927 11443 1 19 . 1 1 83 83 GLN N N 83 118.033 118.033 118.410 -0.377 25927 11444 1 19 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.919 0.274 25927 11445 1 19 . 1 1 83 83 GLN C C 83 179.932 179.932 178.623 1.309 25927 11446 1 19 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.800 0.363 25927 11447 1 19 . 1 1 83 83 GLN CB C 83 28.694 28.694 27.997 0.697 25927 11448 1 19 . 1 1 83 83 GLN H H 83 8.665 8.665 8.248 0.416 25927 11449 1 19 . 1 1 84 84 THR N N 84 118.583 118.583 115.184 3.399 25927 11450 1 19 . 1 1 84 84 THR HA H 84 3.813 3.813 4.053 -0.240 25927 11451 1 19 . 1 1 84 84 THR C C 84 175.824 175.824 176.242 -0.418 25927 11452 1 19 . 1 1 84 84 THR CA C 84 68.515 68.515 67.599 0.916 25927 11453 1 19 . 1 1 84 84 THR CB C 84 67.514 67.514 68.802 -1.288 25927 11454 1 19 . 1 1 84 84 THR H H 84 8.355 8.355 8.190 0.165 25927 11455 1 19 . 1 1 85 85 GLU N N 85 121.547 121.547 120.581 0.966 25927 11456 1 19 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.102 0.071 25927 11457 1 19 . 1 1 85 85 GLU C C 85 178.637 178.637 178.507 0.130 25927 11458 1 19 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.157 1.219 25927 11459 1 19 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.857 0.355 25927 11460 1 19 . 1 1 85 85 GLU H H 85 7.846 7.846 7.853 -0.007 25927 11461 1 19 . 1 1 86 86 GLU N N 86 118.203 118.203 119.468 -1.265 25927 11462 1 19 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.031 0.073 25927 11463 1 19 . 1 1 86 86 GLU C C 86 179.080 179.080 178.842 0.238 25927 11464 1 19 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.052 0.632 25927 11465 1 19 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.121 0.437 25927 11466 1 19 . 1 1 86 86 GLU H H 86 8.154 8.154 8.538 -0.384 25927 11467 1 19 . 1 1 87 87 ALA N N 87 121.242 121.242 121.369 -0.127 25927 11468 1 19 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.155 0.021 25927 11469 1 19 . 1 1 87 87 ALA C C 87 181.299 181.299 179.376 1.923 25927 11470 1 19 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.776 0.440 25927 11471 1 19 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.649 0.584 25927 11472 1 19 . 1 1 87 87 ALA H H 87 8.181 8.181 7.484 0.697 25927 11473 1 19 . 1 1 88 88 LEU N N 88 119.086 119.086 117.896 1.190 25927 11474 1 19 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.087 -0.090 25927 11475 1 19 . 1 1 88 88 LEU C C 88 179.526 179.526 178.228 1.298 25927 11476 1 19 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.105 1.443 25927 11477 1 19 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.444 -0.200 25927 11478 1 19 . 1 1 88 88 LEU H H 88 8.379 8.379 7.430 0.949 25927 11479 1 19 . 1 1 89 89 ASN N N 89 119.429 119.429 118.234 1.195 25927 11480 1 19 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.443 0.124 25927 11481 1 19 . 1 1 89 89 ASN C C 89 177.117 177.117 176.578 0.539 25927 11482 1 19 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.896 -0.892 25927 11483 1 19 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.490 -0.141 25927 11484 1 19 . 1 1 89 89 ASN H H 89 8.271 8.271 8.648 -0.377 25927 11485 1 19 . 1 1 90 90 ARG N N 90 118.735 118.735 117.158 1.577 25927 11486 1 19 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.379 -0.226 25927 11487 1 19 . 1 1 90 90 ARG C C 90 177.836 177.836 177.134 0.702 25927 11488 1 19 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.756 1.818 25927 11489 1 19 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.574 -0.344 25927 11490 1 19 . 1 1 90 90 ARG H H 90 8.010 8.010 7.857 0.153 25927 11491 1 19 . 1 1 91 91 ARG N N 91 118.976 118.976 118.799 0.177 25927 11492 1 19 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.234 -0.025 25927 11493 1 19 . 1 1 91 91 ARG C C 91 177.455 177.455 177.875 -0.420 25927 11494 1 19 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.624 -0.598 25927 11495 1 19 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.216 -0.429 25927 11496 1 19 . 1 1 91 91 ARG H H 91 7.833 7.833 7.683 0.150 25927 11497 1 19 . 1 1 92 92 GLN N N 92 118.834 118.834 115.295 3.539 25927 11498 1 19 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.494 -0.237 25927 11499 1 19 . 1 1 92 92 GLN C C 92 177.362 177.362 177.907 -0.545 25927 11500 1 19 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.750 0.738 25927 11501 1 19 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.599 -1.468 25927 11502 1 19 . 1 1 92 92 GLN H H 92 7.988 7.988 8.184 -0.196 25927 11503 1 19 . 1 1 93 93 ILE N N 93 120.499 120.499 122.027 -1.528 25927 11504 1 19 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.757 0.259 25927 11505 1 19 . 1 1 93 93 ILE C C 93 177.002 177.002 177.053 -0.051 25927 11506 1 19 . 1 1 93 93 ILE CA C 93 62.861 62.861 65.081 -2.220 25927 11507 1 19 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.410 1.158 25927 11508 1 19 . 1 1 93 93 ILE H H 93 7.976 7.976 7.847 0.129 25927 11509 1 19 . 1 1 94 94 ASN N N 94 120.172 120.172 118.518 1.654 25927 11510 1 19 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.346 0.293 25927 11511 1 19 . 1 1 94 94 ASN C C 94 176.336 176.336 177.747 -1.411 25927 11512 1 19 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.760 -2.443 25927 11513 1 19 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.398 0.202 25927 11514 1 19 . 1 1 94 94 ASN H H 94 8.272 8.272 8.168 0.103 25927 11515 1 19 . 1 1 95 95 GLN N N 95 120.288 120.288 119.020 1.268 25927 11516 1 19 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.168 0.012 25927 11517 1 19 . 1 1 95 95 GLN C C 95 176.701 176.701 177.758 -1.057 25927 11518 1 19 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.545 -1.366 25927 11519 1 19 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.871 0.125 25927 11520 1 19 . 1 1 95 95 GLN H H 95 8.303 8.303 7.701 0.602 25927 11521 1 19 . 1 1 96 96 ALA N N 96 123.219 123.219 123.140 0.079 25927 11522 1 19 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.251 0.010 25927 11523 1 19 . 1 1 96 96 ALA C C 96 178.429 178.429 179.657 -1.228 25927 11524 1 19 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.734 -1.302 25927 11525 1 19 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.825 -0.052 25927 11526 1 19 . 1 1 96 96 ALA H H 96 8.112 8.112 7.565 0.547 25927 11527 1 19 . 1 1 97 97 LEU N N 97 119.452 119.452 116.093 3.359 25927 11528 1 19 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.159 0.142 25927 11529 1 19 . 1 1 97 97 LEU C C 97 177.834 177.834 178.217 -0.383 25927 11530 1 19 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.673 -1.927 25927 11531 1 19 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.770 0.520 25927 11532 1 19 . 1 1 97 97 LEU H H 97 7.932 7.932 8.320 -0.388 25927 11533 1 19 . 1 1 98 98 LEU N N 98 121.124 121.124 120.229 0.895 25927 11534 1 19 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.425 -0.048 25927 11535 1 19 . 1 1 98 98 LEU C C 98 177.729 177.729 178.580 -0.851 25927 11536 1 19 . 1 1 98 98 LEU CA C 98 55.426 55.426 56.435 -1.009 25927 11537 1 19 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.449 -0.043 25927 11538 1 19 . 1 1 98 98 LEU H H 98 7.947 7.947 7.303 0.644 25927 11539 1 19 . 1 1 99 99 SER N N 99 115.913 115.913 112.948 2.965 25927 11540 1 19 . 1 1 99 99 SER HA H 99 4.525 4.525 4.227 0.298 25927 11541 1 19 . 1 1 99 99 SER C C 99 174.980 174.980 175.791 -0.811 25927 11542 1 19 . 1 1 99 99 SER CA C 99 58.478 58.478 60.425 -1.947 25927 11543 1 19 . 1 1 99 99 SER CB C 99 63.839 63.839 63.073 0.766 25927 11544 1 19 . 1 1 99 99 SER H H 99 8.238 8.238 8.430 -0.192 25927 11545 1 19 . 1 1 100 100 THR N N 100 114.610 114.610 117.372 -2.762 25927 11546 1 19 . 1 1 100 100 THR HA H 100 4.361 4.361 4.193 0.168 25927 11547 1 19 . 1 1 100 100 THR C C 100 175.368 175.368 176.582 -1.214 25927 11548 1 19 . 1 1 100 100 THR CA C 100 62.195 62.195 64.763 -2.568 25927 11549 1 19 . 1 1 100 100 THR CB C 100 69.794 69.794 68.978 0.816 25927 11550 1 19 . 1 1 100 100 THR H H 100 8.140 8.140 7.679 0.461 25927 11551 1 19 . 1 1 101 101 GLY N N 101 110.650 110.650 110.881 -0.231 25927 11552 1 19 . 1 1 101 101 GLY C C 101 173.935 173.935 174.396 -0.461 25927 11553 1 19 . 1 1 101 101 GLY CA C 101 45.493 45.493 44.351 1.142 25927 11554 1 19 . 1 1 101 101 GLY H H 101 8.353 8.353 7.716 0.637 25927 11555 1 19 . 1 1 102 102 ASP N N 102 120.512 120.512 120.721 -0.209 25927 11556 1 19 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.640 -0.037 25927 11557 1 19 . 1 1 102 102 ASP C C 102 176.419 176.419 177.455 -1.036 25927 11558 1 19 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.463 -0.172 25927 11559 1 19 . 1 1 102 102 ASP CB C 102 41.277 41.277 41.853 -0.576 25927 11560 1 19 . 1 1 102 102 ASP H H 102 8.204 8.204 7.681 0.523 25927 11561 1 19 . 1 1 103 103 LEU N N 103 122.331 122.331 119.196 3.135 25927 11562 1 19 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.184 0.074 25927 11563 1 19 . 1 1 103 103 LEU C C 103 177.394 177.394 175.331 2.063 25927 11564 1 19 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.446 0.082 25927 11565 1 19 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.393 -0.165 25927 11566 1 19 . 1 1 103 103 LEU H H 103 8.170 8.170 7.973 0.197 25927 11567 1 19 . 1 1 104 104 ALA N N 104 123.139 123.139 120.655 2.484 25927 11568 1 19 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.488 -0.288 25927 11569 1 19 . 1 1 104 104 ALA C C 104 177.730 177.730 177.370 0.360 25927 11570 1 19 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.924 0.850 25927 11571 1 19 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.459 -0.454 25927 11572 1 19 . 1 1 104 104 ALA H H 104 8.150 8.150 8.413 -0.263 25927 11573 1 19 . 1 1 105 105 HIS N N 105 117.105 117.105 118.381 -1.276 25927 11574 1 19 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.547 0.094 25927 11575 1 19 . 1 1 105 105 HIS C C 105 174.414 174.414 175.531 -1.117 25927 11576 1 19 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.700 -2.180 25927 11577 1 19 . 1 1 105 105 HIS CB C 105 29.278 29.278 29.991 -0.714 25927 11578 1 19 . 1 1 105 105 HIS H H 105 8.239 8.239 8.223 0.016 25927 11579 1 19 . 1 1 106 106 ASP N N 106 121.315 121.315 118.247 3.068 25927 11580 1 19 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.747 -0.144 25927 11581 1 19 . 1 1 106 106 ASP C C 106 176.370 176.370 176.154 0.216 25927 11582 1 19 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.216 0.103 25927 11583 1 19 . 1 1 106 106 ASP CB C 106 41.414 41.414 41.194 0.220 25927 11584 1 19 . 1 1 106 106 ASP H H 106 8.298 8.298 8.225 0.073 25927 11585 1 19 . 1 1 107 107 GLU N N 107 121.228 121.228 119.371 1.857 25927 11586 1 19 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.136 -0.028 25927 11587 1 19 . 1 1 107 107 GLU C C 107 176.248 176.248 175.425 0.823 25927 11588 1 19 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.450 -0.258 25927 11589 1 19 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.015 0.080 25927 11590 1 19 . 1 1 107 107 GLU H H 107 8.536 8.536 8.786 -0.250 25927 11591 1 20 . 1 1 2 2 VAL N N 2 119.413 119.413 119.346 0.067 25927 11592 1 20 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.289 -0.157 25927 11593 1 20 . 1 1 2 2 VAL C C 2 175.957 175.957 175.376 0.581 25927 11594 1 20 . 1 1 2 2 VAL CA C 2 62.517 62.517 61.697 0.820 25927 11595 1 20 . 1 1 2 2 VAL CB C 2 32.676 32.676 34.034 -1.358 25927 11596 1 20 . 1 1 2 2 VAL H H 2 8.453 8.453 8.227 0.226 25927 11597 1 20 . 1 1 3 3 GLU N N 3 125.255 125.255 122.963 2.292 25927 11598 1 20 . 1 1 3 3 GLU HA H 3 4.348 4.348 3.988 0.360 25927 11599 1 20 . 1 1 3 3 GLU C C 3 176.154 176.154 175.131 1.023 25927 11600 1 20 . 1 1 3 3 GLU CA C 3 56.469 56.469 56.506 -0.037 25927 11601 1 20 . 1 1 3 3 GLU CB C 3 30.382 30.382 29.379 1.003 25927 11602 1 20 . 1 1 3 3 GLU H H 3 8.587 8.587 8.613 -0.026 25927 11603 1 20 . 1 1 4 4 VAL N N 4 121.132 121.132 119.385 1.747 25927 11604 1 20 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.169 -0.048 25927 11605 1 20 . 1 1 4 4 VAL C C 4 175.762 175.762 177.022 -1.260 25927 11606 1 20 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.974 0.054 25927 11607 1 20 . 1 1 4 4 VAL CB C 4 33.056 33.056 33.025 0.031 25927 11608 1 20 . 1 1 4 4 VAL H H 4 8.172 8.172 7.784 0.388 25927 11609 1 20 . 1 1 5 5 GLU N N 5 125.223 125.223 125.024 0.199 25927 11610 1 20 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.234 0.090 25927 11611 1 20 . 1 1 5 5 GLU C C 5 176.006 176.006 176.182 -0.176 25927 11612 1 20 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.746 -0.357 25927 11613 1 20 . 1 1 5 5 GLU CB C 5 30.419 30.419 27.847 2.572 25927 11614 1 20 . 1 1 5 5 GLU H H 5 8.472 8.472 8.747 -0.275 25927 11615 1 20 . 1 1 6 6 VAL N N 6 123.435 123.435 121.073 2.362 25927 11616 1 20 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.963 0.473 25927 11617 1 20 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.580 -4.834 25927 11618 1 20 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.881 1.857 25927 11619 1 20 . 1 1 6 6 VAL H H 6 8.288 8.288 8.040 0.248 25927 11620 1 20 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.610 -0.174 25927 11621 1 20 . 1 1 7 7 PRO C C 7 177.461 177.461 176.486 0.975 25927 11622 1 20 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.299 1.046 25927 11623 1 20 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.752 -0.448 25927 11624 1 20 . 1 1 8 8 GLY N N 8 108.925 108.925 106.461 2.464 25927 11625 1 20 . 1 1 8 8 GLY C C 8 173.995 173.995 173.336 0.659 25927 11626 1 20 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.873 0.553 25927 11627 1 20 . 1 1 8 8 GLY H H 8 8.334 8.334 8.228 0.106 25927 11628 1 20 . 1 1 9 9 LEU N N 9 121.559 121.559 121.194 0.365 25927 11629 1 20 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.755 -0.296 25927 11630 1 20 . 1 1 9 9 LEU C C 9 176.870 176.870 175.753 1.117 25927 11631 1 20 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.406 1.215 25927 11632 1 20 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.199 0.849 25927 11633 1 20 . 1 1 9 9 LEU H H 9 8.150 8.150 8.490 -0.340 25927 11634 1 20 . 1 1 10 10 LEU N N 10 122.690 122.690 123.613 -0.923 25927 11635 1 20 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.459 0.702 25927 11636 1 20 . 1 1 10 10 LEU C C 10 177.427 177.427 177.031 0.396 25927 11637 1 20 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.465 -1.603 25927 11638 1 20 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.331 2.317 25927 11639 1 20 . 1 1 10 10 LEU H H 10 8.348 8.348 7.946 0.402 25927 11640 1 20 . 1 1 11 11 THR N N 11 124.118 124.118 121.034 3.084 25927 11641 1 20 . 1 1 11 11 THR HA H 11 4.295 4.295 4.442 -0.147 25927 11642 1 20 . 1 1 11 11 THR C C 11 172.853 172.853 173.879 -1.026 25927 11643 1 20 . 1 1 11 11 THR CA C 11 63.577 63.577 61.242 2.335 25927 11644 1 20 . 1 1 11 11 THR CB C 11 69.325 69.325 70.836 -1.511 25927 11645 1 20 . 1 1 11 11 THR H H 11 9.186 9.186 8.249 0.937 25927 11646 1 20 . 1 1 12 12 ASP N N 12 127.226 127.226 125.692 1.534 25927 11647 1 20 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.810 0.487 25927 11648 1 20 . 1 1 12 12 ASP C C 12 176.060 176.060 175.878 0.182 25927 11649 1 20 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.594 0.185 25927 11650 1 20 . 1 1 12 12 ASP CB C 12 39.044 39.044 37.968 1.077 25927 11651 1 20 . 1 1 12 12 ASP H H 12 8.880 8.880 8.413 0.467 25927 11652 1 20 . 1 1 13 13 HIS N N 13 127.146 127.146 121.933 5.213 25927 11653 1 20 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.490 0.818 25927 11654 1 20 . 1 1 13 13 HIS C C 13 175.365 175.365 173.858 1.507 25927 11655 1 20 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.498 -2.340 25927 11656 1 20 . 1 1 13 13 HIS CB C 13 28.954 28.954 27.797 1.157 25927 11657 1 20 . 1 1 13 13 HIS H H 13 8.867 8.867 7.915 0.952 25927 11658 1 20 . 1 1 14 14 THR N N 14 112.885 112.885 110.113 2.772 25927 11659 1 20 . 1 1 14 14 THR HA H 14 4.522 4.522 4.646 -0.124 25927 11660 1 20 . 1 1 14 14 THR C C 14 174.626 174.626 174.332 0.294 25927 11661 1 20 . 1 1 14 14 THR CA C 14 63.245 63.245 60.663 2.582 25927 11662 1 20 . 1 1 14 14 THR CB C 14 70.178 70.178 70.972 -0.794 25927 11663 1 20 . 1 1 14 14 THR H H 14 8.583 8.583 7.716 0.867 25927 11664 1 20 . 1 1 15 15 VAL N N 15 113.207 113.207 120.078 -6.871 25927 11665 1 20 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.567 0.078 25927 11666 1 20 . 1 1 15 15 VAL C C 15 175.216 175.216 174.472 0.744 25927 11667 1 20 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.288 0.975 25927 11668 1 20 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.778 2.602 25927 11669 1 20 . 1 1 15 15 VAL H H 15 9.104 9.104 8.331 0.773 25927 11670 1 20 . 1 1 16 16 SER N N 16 122.970 122.970 115.060 7.910 25927 11671 1 20 . 1 1 16 16 SER HA H 16 4.196 4.196 4.704 -0.508 25927 11672 1 20 . 1 1 16 16 SER C C 16 174.515 174.515 175.734 -1.219 25927 11673 1 20 . 1 1 16 16 SER CA C 16 57.126 57.126 55.808 1.318 25927 11674 1 20 . 1 1 16 16 SER CB C 16 67.073 67.073 65.368 1.705 25927 11675 1 20 . 1 1 16 16 SER H H 16 9.340 9.340 7.688 1.652 25927 11676 1 20 . 1 1 17 17 SER N N 17 116.643 116.643 122.241 -5.598 25927 11677 1 20 . 1 1 17 17 SER HA H 17 4.157 4.157 4.300 -0.143 25927 11678 1 20 . 1 1 17 17 SER C C 17 176.576 176.576 175.757 0.819 25927 11679 1 20 . 1 1 17 17 SER CA C 17 62.451 62.451 61.544 0.907 25927 11680 1 20 . 1 1 17 17 SER CB C 17 62.539 62.539 63.021 -0.482 25927 11681 1 20 . 1 1 17 17 SER H H 17 8.926 8.926 8.913 0.013 25927 11682 1 20 . 1 1 18 18 ILE N N 18 120.198 120.198 114.336 5.862 25927 11683 1 20 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.387 -0.316 25927 11684 1 20 . 1 1 18 18 ILE C C 18 177.925 177.925 177.580 0.345 25927 11685 1 20 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.428 1.953 25927 11686 1 20 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.106 -0.526 25927 11687 1 20 . 1 1 18 18 ILE H H 18 7.848 7.848 7.510 0.338 25927 11688 1 20 . 1 1 19 19 GLY N N 19 111.905 111.905 108.690 3.215 25927 11689 1 20 . 1 1 19 19 GLY C C 19 176.153 176.153 176.185 -0.032 25927 11690 1 20 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.233 -0.392 25927 11691 1 20 . 1 1 19 19 GLY H H 19 7.921 7.921 8.173 -0.252 25927 11692 1 20 . 1 1 20 20 HIS N N 20 120.808 120.808 121.357 -0.549 25927 11693 1 20 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.556 0.206 25927 11694 1 20 . 1 1 20 20 HIS C C 20 178.606 178.606 177.139 1.467 25927 11695 1 20 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.369 -1.511 25927 11696 1 20 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.201 -2.486 25927 11697 1 20 . 1 1 20 20 HIS H H 20 8.842 8.842 8.572 0.270 25927 11698 1 20 . 1 1 21 21 ASP N N 21 121.572 121.572 119.694 1.878 25927 11699 1 20 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.461 0.073 25927 11700 1 20 . 1 1 21 21 ASP C C 21 179.630 179.630 178.587 1.043 25927 11701 1 20 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.073 0.432 25927 11702 1 20 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.323 -0.558 25927 11703 1 20 . 1 1 21 21 ASP H H 21 8.592 8.592 7.728 0.864 25927 11704 1 20 . 1 1 22 22 PHE N N 22 123.889 123.889 122.579 1.310 25927 11705 1 20 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.127 -0.032 25927 11706 1 20 . 1 1 22 22 PHE C C 22 175.647 175.647 176.717 -1.070 25927 11707 1 20 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.120 0.808 25927 11708 1 20 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.348 -0.201 25927 11709 1 20 . 1 1 22 22 PHE H H 22 8.790 8.790 8.914 -0.124 25927 11710 1 20 . 1 1 23 23 TYR N N 23 119.855 119.855 120.125 -0.270 25927 11711 1 20 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.985 -0.204 25927 11712 1 20 . 1 1 23 23 TYR C C 23 177.585 177.585 177.325 0.260 25927 11713 1 20 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.771 0.202 25927 11714 1 20 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.329 0.050 25927 11715 1 20 . 1 1 23 23 TYR H H 23 9.008 9.008 7.943 1.065 25927 11716 1 20 . 1 1 24 24 ARG N N 24 120.673 120.673 118.547 2.126 25927 11717 1 20 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.806 -0.088 25927 11718 1 20 . 1 1 24 24 ARG C C 24 177.149 177.149 178.696 -1.547 25927 11719 1 20 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.180 0.180 25927 11720 1 20 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.232 0.202 25927 11721 1 20 . 1 1 24 24 ARG H H 24 8.576 8.576 7.594 0.982 25927 11722 1 20 . 1 1 25 25 ALA N N 25 120.718 120.718 122.713 -1.995 25927 11723 1 20 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.096 0.015 25927 11724 1 20 . 1 1 25 25 ALA C C 25 179.502 179.502 179.145 0.357 25927 11725 1 20 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.786 0.024 25927 11726 1 20 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.572 0.818 25927 11727 1 20 . 1 1 25 25 ALA H H 25 8.080 8.080 8.425 -0.345 25927 11728 1 20 . 1 1 26 26 PHE N N 26 118.193 118.193 119.286 -1.093 25927 11729 1 20 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.865 -0.367 25927 11730 1 20 . 1 1 26 26 PHE C C 26 177.120 177.120 176.800 0.320 25927 11731 1 20 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.553 0.744 25927 11732 1 20 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.002 0.905 25927 11733 1 20 . 1 1 26 26 PHE H H 26 8.467 8.467 8.200 0.267 25927 11734 1 20 . 1 1 27 27 SER N N 27 112.572 112.572 113.952 -1.380 25927 11735 1 20 . 1 1 27 27 SER HA H 27 3.845 3.845 4.238 -0.393 25927 11736 1 20 . 1 1 27 27 SER C C 27 176.828 176.828 176.477 0.351 25927 11737 1 20 . 1 1 27 27 SER CA C 27 61.656 61.656 61.020 0.636 25927 11738 1 20 . 1 1 27 27 SER CB C 27 62.952 62.952 62.852 0.100 25927 11739 1 20 . 1 1 27 27 SER H H 27 8.477 8.477 8.010 0.467 25927 11740 1 20 . 1 1 28 28 ASP N N 28 119.022 119.022 121.526 -2.504 25927 11741 1 20 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.486 -0.062 25927 11742 1 20 . 1 1 28 28 ASP C C 28 177.325 177.325 177.334 -0.009 25927 11743 1 20 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.390 0.267 25927 11744 1 20 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.925 0.349 25927 11745 1 20 . 1 1 28 28 ASP H H 28 8.019 8.019 8.067 -0.048 25927 11746 1 20 . 1 1 29 29 LYS N N 29 115.330 115.330 115.621 -0.291 25927 11747 1 20 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.362 -0.003 25927 11748 1 20 . 1 1 29 29 LYS C C 29 175.910 175.910 176.340 -0.430 25927 11749 1 20 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.306 -0.142 25927 11750 1 20 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.668 2.642 25927 11751 1 20 . 1 1 29 29 LYS H H 29 6.910 6.910 7.520 -0.610 25927 11752 1 20 . 1 1 30 30 TRP N N 30 122.847 122.847 123.611 -0.764 25927 11753 1 20 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.091 0.086 25927 11754 1 20 . 1 1 30 30 TRP C C 30 175.188 175.188 175.081 0.107 25927 11755 1 20 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.792 -0.751 25927 11756 1 20 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.604 0.316 25927 11757 1 20 . 1 1 30 30 TRP H H 30 7.638 7.638 7.573 0.065 25927 11758 1 20 . 1 1 31 31 GLU N N 31 128.182 128.182 125.721 2.461 25927 11759 1 20 . 1 1 31 31 GLU HA H 31 4.159 4.159 3.990 0.169 25927 11760 1 20 . 1 1 31 31 GLU C C 31 173.960 173.960 173.441 0.519 25927 11761 1 20 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.588 -0.474 25927 11762 1 20 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.286 -0.203 25927 11763 1 20 . 1 1 31 31 GLU H H 31 7.426 7.426 7.311 0.115 25927 11764 1 20 . 1 1 32 32 SER N N 32 115.672 115.672 117.092 -1.420 25927 11765 1 20 . 1 1 32 32 SER HA H 32 4.100 4.100 4.644 -0.544 25927 11766 1 20 . 1 1 32 32 SER C C 32 173.864 173.864 173.507 0.357 25927 11767 1 20 . 1 1 32 32 SER CA C 32 57.344 57.344 57.662 -0.318 25927 11768 1 20 . 1 1 32 32 SER CB C 32 64.220 64.220 65.207 -0.987 25927 11769 1 20 . 1 1 32 32 SER H H 32 7.276 7.276 7.984 -0.708 25927 11770 1 20 . 1 1 33 33 ASP N N 33 123.759 123.759 121.835 1.924 25927 11771 1 20 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.675 -0.052 25927 11772 1 20 . 1 1 33 33 ASP C C 33 176.175 176.175 176.410 -0.235 25927 11773 1 20 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.779 -0.650 25927 11774 1 20 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.244 -0.634 25927 11775 1 20 . 1 1 33 33 ASP H H 33 8.429 8.429 8.679 -0.250 25927 11776 1 20 . 1 1 34 34 TYR N N 34 122.283 122.283 118.517 3.766 25927 11777 1 20 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.633 -0.059 25927 11778 1 20 . 1 1 34 34 TYR C C 34 177.025 177.025 176.099 0.926 25927 11779 1 20 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.587 1.230 25927 11780 1 20 . 1 1 34 34 TYR CB C 34 39.134 39.134 38.860 0.274 25927 11781 1 20 . 1 1 34 34 TYR H H 34 8.649 8.649 7.798 0.851 25927 11782 1 20 . 1 1 35 35 THR N N 35 116.852 116.852 112.400 4.452 25927 11783 1 20 . 1 1 35 35 THR HA H 35 4.311 4.311 4.149 0.162 25927 11784 1 20 . 1 1 35 35 THR C C 35 174.704 174.704 174.151 0.553 25927 11785 1 20 . 1 1 35 35 THR CA C 35 61.364 61.364 63.068 -1.704 25927 11786 1 20 . 1 1 35 35 THR CB C 35 69.454 69.454 68.831 0.623 25927 11787 1 20 . 1 1 35 35 THR H H 35 8.067 8.067 8.415 -0.348 25927 11788 1 20 . 1 1 36 36 GLY N N 36 107.698 107.698 107.528 0.170 25927 11789 1 20 . 1 1 36 36 GLY C C 36 171.455 171.455 174.250 -2.795 25927 11790 1 20 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.090 -0.572 25927 11791 1 20 . 1 1 36 36 GLY H H 36 5.732 5.732 6.623 -0.891 25927 11792 1 20 . 1 1 37 37 ASN N N 37 117.424 117.424 118.927 -1.503 25927 11793 1 20 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.721 0.264 25927 11794 1 20 . 1 1 37 37 ASN C C 37 175.393 175.393 173.676 1.717 25927 11795 1 20 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.269 0.564 25927 11796 1 20 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.231 3.282 25927 11797 1 20 . 1 1 37 37 ASN H H 37 8.346 8.346 8.535 -0.189 25927 11798 1 20 . 1 1 38 38 LEU N N 38 126.809 126.809 118.496 8.313 25927 11799 1 20 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.664 -0.666 25927 11800 1 20 . 1 1 38 38 LEU C C 38 175.770 175.770 175.401 0.369 25927 11801 1 20 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.849 2.165 25927 11802 1 20 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.505 -0.439 25927 11803 1 20 . 1 1 38 38 LEU H H 38 8.469 8.469 7.781 0.688 25927 11804 1 20 . 1 1 39 39 THR N N 39 119.369 119.369 114.302 5.067 25927 11805 1 20 . 1 1 39 39 THR HA H 39 4.799 4.799 4.919 -0.120 25927 11806 1 20 . 1 1 39 39 THR C C 39 172.224 172.224 172.679 -0.455 25927 11807 1 20 . 1 1 39 39 THR CA C 39 61.958 61.958 60.526 1.433 25927 11808 1 20 . 1 1 39 39 THR CB C 39 70.327 70.327 72.136 -1.809 25927 11809 1 20 . 1 1 39 39 THR H H 39 8.849 8.849 8.886 -0.037 25927 11810 1 20 . 1 1 40 40 ILE N N 40 125.490 125.490 123.755 1.735 25927 11811 1 20 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.337 0.183 25927 11812 1 20 . 1 1 40 40 ILE C C 40 173.125 173.125 173.691 -0.566 25927 11813 1 20 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.393 0.788 25927 11814 1 20 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.068 -2.618 25927 11815 1 20 . 1 1 40 40 ILE H H 40 8.562 8.562 7.921 0.641 25927 11816 1 20 . 1 1 41 41 ASN N N 41 124.656 124.656 124.254 0.402 25927 11817 1 20 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.694 -0.794 25927 11818 1 20 . 1 1 41 41 ASN C C 41 173.445 173.445 174.055 -0.610 25927 11819 1 20 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.589 0.490 25927 11820 1 20 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.338 -0.222 25927 11821 1 20 . 1 1 41 41 ASN H H 41 9.173 9.173 8.707 0.466 25927 11822 1 20 . 1 1 42 42 GLU N N 42 120.095 120.095 121.964 -1.869 25927 11823 1 20 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.319 0.066 25927 11824 1 20 . 1 1 42 42 GLU C C 42 173.971 173.971 175.235 -1.264 25927 11825 1 20 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.542 -0.412 25927 11826 1 20 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.608 1.849 25927 11827 1 20 . 1 1 42 42 GLU H H 42 7.741 7.741 8.215 -0.474 25927 11828 1 20 . 1 1 43 43 ARG N N 43 127.178 127.178 121.538 5.640 25927 11829 1 20 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.831 0.202 25927 11830 1 20 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.432 0.263 25927 11831 1 20 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.693 -0.205 25927 11832 1 20 . 1 1 43 43 ARG H H 43 9.039 9.039 8.699 0.340 25927 11833 1 20 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.836 -0.109 25927 11834 1 20 . 1 1 44 44 PRO C C 44 176.335 176.335 176.118 0.217 25927 11835 1 20 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.513 0.829 25927 11836 1 20 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.024 0.650 25927 11837 1 20 . 1 1 45 45 SER N N 45 117.089 117.089 122.586 -5.497 25927 11838 1 20 . 1 1 45 45 SER HA H 45 4.837 4.837 4.713 0.124 25927 11839 1 20 . 1 1 45 45 SER C C 45 174.334 174.334 174.502 -0.168 25927 11840 1 20 . 1 1 45 45 SER CA C 45 56.688 56.688 57.528 -0.840 25927 11841 1 20 . 1 1 45 45 SER CB C 45 64.628 64.628 64.901 -0.273 25927 11842 1 20 . 1 1 45 45 SER H H 45 8.497 8.497 8.926 -0.429 25927 11843 1 20 . 1 1 46 46 ALA N N 46 126.901 126.901 128.164 -1.263 25927 11844 1 20 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.053 0.169 25927 11845 1 20 . 1 1 46 46 ALA C C 46 178.171 178.171 178.456 -0.285 25927 11846 1 20 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.173 -0.085 25927 11847 1 20 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.943 -0.351 25927 11848 1 20 . 1 1 46 46 ALA H H 46 8.780 8.780 8.718 0.062 25927 11849 1 20 . 1 1 47 47 ARG N N 47 117.860 117.860 117.113 0.747 25927 11850 1 20 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.137 0.273 25927 11851 1 20 . 1 1 47 47 ARG C C 47 175.674 175.674 176.455 -0.781 25927 11852 1 20 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.031 -1.779 25927 11853 1 20 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.581 1.005 25927 11854 1 20 . 1 1 47 47 ARG H H 47 8.381 8.381 8.009 0.372 25927 11855 1 20 . 1 1 48 48 ALA N N 48 121.099 121.099 117.440 3.659 25927 11856 1 20 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.571 -0.152 25927 11857 1 20 . 1 1 48 48 ALA C C 48 176.874 176.874 175.844 1.030 25927 11858 1 20 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.132 1.136 25927 11859 1 20 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.356 -1.575 25927 11860 1 20 . 1 1 48 48 ALA H H 48 8.012 8.012 8.058 -0.046 25927 11861 1 20 . 1 1 49 49 GLY N N 49 106.126 106.126 107.250 -1.124 25927 11862 1 20 . 1 1 49 49 GLY C C 49 172.803 172.803 172.089 0.714 25927 11863 1 20 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.971 -1.480 25927 11864 1 20 . 1 1 49 49 GLY H H 49 7.946 7.946 8.519 -0.573 25927 11865 1 20 . 1 1 50 50 SER N N 50 113.972 113.972 116.397 -2.425 25927 11866 1 20 . 1 1 50 50 SER HA H 50 4.736 4.736 5.152 -0.416 25927 11867 1 20 . 1 1 50 50 SER C C 50 171.367 171.367 172.712 -1.345 25927 11868 1 20 . 1 1 50 50 SER CA C 50 57.165 57.165 56.172 0.993 25927 11869 1 20 . 1 1 50 50 SER CB C 50 66.797 66.797 66.228 0.568 25927 11870 1 20 . 1 1 50 50 SER H H 50 7.631 7.631 8.137 -0.506 25927 11871 1 20 . 1 1 51 51 TRP N N 51 121.787 121.787 123.775 -1.988 25927 11872 1 20 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.094 0.762 25927 11873 1 20 . 1 1 51 51 TRP C C 51 176.055 176.055 175.790 0.265 25927 11874 1 20 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.289 -0.496 25927 11875 1 20 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.448 0.086 25927 11876 1 20 . 1 1 51 51 TRP H H 51 8.588 8.588 8.586 0.002 25927 11877 1 20 . 1 1 52 52 ILE N N 52 126.898 126.898 124.781 2.117 25927 11878 1 20 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.806 0.265 25927 11879 1 20 . 1 1 52 52 ILE C C 52 175.754 175.754 175.136 0.618 25927 11880 1 20 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.511 -1.778 25927 11881 1 20 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.238 0.117 25927 11882 1 20 . 1 1 52 52 ILE H H 52 8.963 8.963 9.081 -0.118 25927 11883 1 20 . 1 1 53 53 THR N N 53 116.271 116.271 123.785 -7.514 25927 11884 1 20 . 1 1 53 53 THR HA H 53 5.095 5.095 4.751 0.344 25927 11885 1 20 . 1 1 53 53 THR C C 53 173.382 173.382 172.934 0.448 25927 11886 1 20 . 1 1 53 53 THR CA C 53 59.290 59.290 61.762 -2.472 25927 11887 1 20 . 1 1 53 53 THR CB C 53 71.819 71.819 70.695 1.124 25927 11888 1 20 . 1 1 53 53 THR H H 53 8.371 8.371 9.149 -0.778 25927 11889 1 20 . 1 1 54 54 ILE N N 54 124.947 124.947 129.759 -4.812 25927 11890 1 20 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.034 0.149 25927 11891 1 20 . 1 1 54 54 ILE C C 54 175.952 175.952 173.968 1.984 25927 11892 1 20 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.438 2.156 25927 11893 1 20 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.602 -1.985 25927 11894 1 20 . 1 1 54 54 ILE H H 54 9.056 9.056 9.012 0.044 25927 11895 1 20 . 1 1 55 55 THR N N 55 118.298 118.298 123.281 -4.983 25927 11896 1 20 . 1 1 55 55 THR HA H 55 5.458 5.458 5.134 0.324 25927 11897 1 20 . 1 1 55 55 THR C C 55 173.980 173.980 173.686 0.294 25927 11898 1 20 . 1 1 55 55 THR CA C 55 58.717 58.717 59.686 -0.969 25927 11899 1 20 . 1 1 55 55 THR CB C 55 71.839 71.839 70.915 0.924 25927 11900 1 20 . 1 1 55 55 THR H H 55 9.250 9.250 8.941 0.309 25927 11901 1 20 . 1 1 56 56 VAL N N 56 120.047 120.047 126.059 -6.012 25927 11902 1 20 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.670 -0.250 25927 11903 1 20 . 1 1 56 56 VAL C C 56 176.226 176.226 176.530 -0.304 25927 11904 1 20 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.853 -0.812 25927 11905 1 20 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.909 1.852 25927 11906 1 20 . 1 1 56 56 VAL H H 56 8.435 8.435 8.807 -0.372 25927 11907 1 20 . 1 1 57 57 ASN N N 57 125.479 125.479 126.709 -1.230 25927 11908 1 20 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.261 -0.066 25927 11909 1 20 . 1 1 57 57 ASN C C 57 175.026 175.026 175.685 -0.659 25927 11910 1 20 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.588 -0.892 25927 11911 1 20 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.303 -0.304 25927 11912 1 20 . 1 1 57 57 ASN H H 57 9.199 9.199 9.341 -0.142 25927 11913 1 20 . 1 1 58 58 GLN N N 58 116.897 116.897 116.205 0.692 25927 11914 1 20 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.490 -0.304 25927 11915 1 20 . 1 1 58 58 GLN C C 58 175.237 175.237 174.779 0.458 25927 11916 1 20 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.488 1.351 25927 11917 1 20 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.037 -2.454 25927 11918 1 20 . 1 1 58 58 GLN H H 58 8.576 8.576 8.253 0.323 25927 11919 1 20 . 1 1 59 59 ASP N N 59 122.465 122.465 122.948 -0.483 25927 11920 1 20 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.919 -0.203 25927 11921 1 20 . 1 1 59 59 ASP C C 59 175.302 175.302 174.597 0.705 25927 11922 1 20 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.810 0.323 25927 11923 1 20 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.121 -2.668 25927 11924 1 20 . 1 1 59 59 ASP H H 59 8.343 8.343 8.208 0.135 25927 11925 1 20 . 1 1 60 60 VAL N N 60 124.577 124.577 123.163 1.414 25927 11926 1 20 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.154 -0.277 25927 11927 1 20 . 1 1 60 60 VAL C C 60 176.802 176.802 176.220 0.582 25927 11928 1 20 . 1 1 60 60 VAL CA C 60 63.781 63.781 63.479 0.302 25927 11929 1 20 . 1 1 60 60 VAL CB C 60 31.734 31.734 31.904 -0.170 25927 11930 1 20 . 1 1 60 60 VAL H H 60 8.754 8.754 8.785 -0.031 25927 11931 1 20 . 1 1 61 61 ILE N N 61 123.852 123.852 122.245 1.607 25927 11932 1 20 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.546 -0.027 25927 11933 1 20 . 1 1 61 61 ILE C C 61 175.073 175.073 175.427 -0.354 25927 11934 1 20 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.327 -0.728 25927 11935 1 20 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.123 -1.153 25927 11936 1 20 . 1 1 61 61 ILE H H 61 8.984 8.984 8.158 0.826 25927 11937 1 20 . 1 1 62 62 PHE N N 62 119.927 119.927 120.584 -0.657 25927 11938 1 20 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.858 -0.212 25927 11939 1 20 . 1 1 62 62 PHE C C 62 171.958 171.958 172.813 -0.855 25927 11940 1 20 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.271 1.100 25927 11941 1 20 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.755 0.055 25927 11942 1 20 . 1 1 62 62 PHE H H 62 7.557 7.557 7.592 -0.035 25927 11943 1 20 . 1 1 63 63 GLN N N 63 125.524 125.524 122.737 2.787 25927 11944 1 20 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.795 0.314 25927 11945 1 20 . 1 1 63 63 GLN C C 63 172.837 172.837 173.545 -0.708 25927 11946 1 20 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.848 -0.086 25927 11947 1 20 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.752 -0.071 25927 11948 1 20 . 1 1 63 63 GLN H H 63 7.389 7.389 7.699 -0.310 25927 11949 1 20 . 1 1 64 64 THR N N 64 115.981 115.981 114.453 1.528 25927 11950 1 20 . 1 1 64 64 THR HA H 64 4.428 4.428 4.566 -0.138 25927 11951 1 20 . 1 1 64 64 THR C C 64 169.980 169.980 171.979 -1.999 25927 11952 1 20 . 1 1 64 64 THR CA C 64 60.555 60.555 60.901 -0.346 25927 11953 1 20 . 1 1 64 64 THR CB C 64 69.083 69.083 71.140 -2.057 25927 11954 1 20 . 1 1 64 64 THR H H 64 8.588 8.588 8.677 -0.089 25927 11955 1 20 . 1 1 65 65 PHE N N 65 125.997 125.997 123.676 2.321 25927 11956 1 20 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.572 -0.158 25927 11957 1 20 . 1 1 65 65 PHE C C 65 173.940 173.940 174.482 -0.542 25927 11958 1 20 . 1 1 65 65 PHE CA C 65 57.250 57.250 57.071 0.179 25927 11959 1 20 . 1 1 65 65 PHE CB C 65 40.713 40.713 40.284 0.429 25927 11960 1 20 . 1 1 65 65 PHE H H 65 8.054 8.054 8.247 -0.193 25927 11961 1 20 . 1 1 66 66 LEU N N 66 127.935 127.935 126.171 1.764 25927 11962 1 20 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.643 -0.191 25927 11963 1 20 . 1 1 66 66 LEU C C 66 174.502 174.502 175.125 -0.623 25927 11964 1 20 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.334 -0.725 25927 11965 1 20 . 1 1 66 66 LEU H H 66 8.383 8.383 8.645 -0.262 25927 11966 1 20 . 1 1 67 67 PHE N N 67 123.162 123.162 120.415 2.747 25927 11967 1 20 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.437 -0.813 25927 11968 1 20 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.763 -1.636 25927 11969 1 20 . 1 1 67 67 PHE H H 67 8.285 8.285 9.165 -0.880 25927 11970 1 20 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.521 -0.074 25927 11971 1 20 . 1 1 68 68 PRO C C 68 175.918 175.918 176.977 -1.059 25927 11972 1 20 . 1 1 68 68 PRO CA C 68 61.623 61.623 63.990 -2.367 25927 11973 1 20 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.327 -0.106 25927 11974 1 20 . 1 1 69 69 LEU N N 69 121.360 121.360 118.787 2.573 25927 11975 1 20 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.510 -0.316 25927 11976 1 20 . 1 1 69 69 LEU CA C 69 55.251 55.251 54.824 0.427 25927 11977 1 20 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.098 -1.421 25927 11978 1 20 . 1 1 69 69 LEU H H 69 8.300 8.300 8.192 0.108 25927 11979 1 20 . 1 1 70 70 LYS N N 70 123.012 123.012 120.014 2.998 25927 11980 1 20 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.718 -0.018 25927 11981 1 20 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.941 -4.221 25927 11982 1 20 . 1 1 70 70 LYS H H 70 8.156 8.156 7.496 0.660 25927 11983 1 20 . 1 1 71 71 ARG N N 71 125.250 125.250 122.525 2.725 25927 11984 1 20 . 1 1 71 71 ARG C C 71 179.581 179.581 176.596 2.985 25927 11985 1 20 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.390 0.828 25927 11986 1 20 . 1 1 71 71 ARG H H 71 8.279 8.279 8.829 -0.550 25927 11987 1 20 . 1 1 72 72 ASP N N 72 119.355 119.355 120.004 -0.649 25927 11988 1 20 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.599 0.147 25927 11989 1 20 . 1 1 72 72 ASP C C 72 177.124 177.124 177.143 -0.019 25927 11990 1 20 . 1 1 72 72 ASP CA C 72 55.673 55.673 54.311 1.362 25927 11991 1 20 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.022 0.025 25927 11992 1 20 . 1 1 72 72 ASP H H 72 8.182 8.182 8.241 -0.059 25927 11993 1 20 . 1 1 73 73 PHE N N 73 122.846 122.846 121.767 1.079 25927 11994 1 20 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.128 0.002 25927 11995 1 20 . 1 1 73 73 PHE C C 73 176.729 176.729 176.789 -0.060 25927 11996 1 20 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.341 0.681 25927 11997 1 20 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.290 0.914 25927 11998 1 20 . 1 1 73 73 PHE H H 73 8.197 8.197 8.027 0.170 25927 11999 1 20 . 1 1 74 74 GLU N N 74 118.652 118.652 118.469 0.183 25927 12000 1 20 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.894 -0.050 25927 12001 1 20 . 1 1 74 74 GLU C C 74 179.310 179.310 178.684 0.626 25927 12002 1 20 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.743 0.908 25927 12003 1 20 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.376 -0.727 25927 12004 1 20 . 1 1 74 74 GLU H H 74 9.098 9.098 9.120 -0.022 25927 12005 1 20 . 1 1 75 75 LYS N N 75 117.836 117.836 119.317 -1.481 25927 12006 1 20 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.096 -0.017 25927 12007 1 20 . 1 1 75 75 LYS C C 75 179.312 179.312 179.288 0.024 25927 12008 1 20 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.317 -0.037 25927 12009 1 20 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.214 0.129 25927 12010 1 20 . 1 1 75 75 LYS H H 75 8.078 8.078 7.704 0.374 25927 12011 1 20 . 1 1 76 76 THR N N 76 118.581 118.581 117.825 0.756 25927 12012 1 20 . 1 1 76 76 THR HA H 76 4.168 4.168 4.116 0.052 25927 12013 1 20 . 1 1 76 76 THR C C 76 175.873 175.873 176.767 -0.894 25927 12014 1 20 . 1 1 76 76 THR CA C 76 67.009 67.009 66.990 0.019 25927 12015 1 20 . 1 1 76 76 THR CB C 76 68.404 68.404 68.541 -0.137 25927 12016 1 20 . 1 1 76 76 THR H H 76 8.031 8.031 8.406 -0.375 25927 12017 1 20 . 1 1 77 77 VAL N N 77 122.994 122.994 121.562 1.432 25927 12018 1 20 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.531 -0.139 25927 12019 1 20 . 1 1 77 77 VAL C C 77 177.137 177.137 177.577 -0.440 25927 12020 1 20 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.878 0.577 25927 12021 1 20 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.232 0.341 25927 12022 1 20 . 1 1 77 77 VAL H H 77 7.999 7.999 8.139 -0.141 25927 12023 1 20 . 1 1 78 78 VAL N N 78 117.994 117.994 118.870 -0.876 25927 12024 1 20 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.466 0.082 25927 12025 1 20 . 1 1 78 78 VAL C C 78 177.830 177.830 177.511 0.319 25927 12026 1 20 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.377 0.897 25927 12027 1 20 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.251 0.492 25927 12028 1 20 . 1 1 78 78 VAL H H 78 7.745 7.745 7.901 -0.156 25927 12029 1 20 . 1 1 79 79 ALA N N 79 120.460 120.460 121.206 -0.746 25927 12030 1 20 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.047 0.133 25927 12031 1 20 . 1 1 79 79 ALA C C 79 176.512 176.512 179.143 -2.631 25927 12032 1 20 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.883 0.218 25927 12033 1 20 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.101 0.069 25927 12034 1 20 . 1 1 79 79 ALA H H 79 7.844 7.844 8.413 -0.569 25927 12035 1 20 . 1 1 80 80 ALA N N 80 119.351 119.351 120.628 -1.277 25927 12036 1 20 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.763 -0.767 25927 12037 1 20 . 1 1 80 80 ALA C C 80 180.805 180.805 179.430 1.375 25927 12038 1 20 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.917 -0.260 25927 12039 1 20 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.492 0.866 25927 12040 1 20 . 1 1 80 80 ALA H H 80 8.178 8.178 8.125 0.053 25927 12041 1 20 . 1 1 81 81 LEU N N 81 123.041 123.041 119.460 3.581 25927 12042 1 20 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.009 -0.145 25927 12043 1 20 . 1 1 81 81 LEU C C 81 179.526 179.526 179.044 0.482 25927 12044 1 20 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.748 1.137 25927 12045 1 20 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.574 0.977 25927 12046 1 20 . 1 1 81 81 LEU H H 81 8.469 8.469 7.238 1.231 25927 12047 1 20 . 1 1 82 82 ILE N N 82 119.350 119.350 118.639 0.711 25927 12048 1 20 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.610 0.217 25927 12049 1 20 . 1 1 82 82 ILE C C 82 179.375 179.375 178.104 1.271 25927 12050 1 20 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.285 -0.706 25927 12051 1 20 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.586 1.028 25927 12052 1 20 . 1 1 82 82 ILE H H 82 7.988 7.988 7.286 0.702 25927 12053 1 20 . 1 1 83 83 GLN N N 83 118.033 118.033 118.400 -0.367 25927 12054 1 20 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.917 0.276 25927 12055 1 20 . 1 1 83 83 GLN C C 83 179.932 179.932 178.603 1.329 25927 12056 1 20 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.770 0.393 25927 12057 1 20 . 1 1 83 83 GLN CB C 83 28.694 28.694 27.961 0.733 25927 12058 1 20 . 1 1 83 83 GLN H H 83 8.665 8.665 8.187 0.478 25927 12059 1 20 . 1 1 84 84 THR N N 84 118.583 118.583 116.173 2.410 25927 12060 1 20 . 1 1 84 84 THR HA H 84 3.813 3.813 4.074 -0.261 25927 12061 1 20 . 1 1 84 84 THR C C 84 175.824 175.824 176.220 -0.396 25927 12062 1 20 . 1 1 84 84 THR CA C 84 68.515 68.515 67.373 1.142 25927 12063 1 20 . 1 1 84 84 THR CB C 84 67.514 67.514 68.841 -1.327 25927 12064 1 20 . 1 1 84 84 THR H H 84 8.355 8.355 8.157 0.198 25927 12065 1 20 . 1 1 85 85 GLU N N 85 121.547 121.547 120.596 0.951 25927 12066 1 20 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.079 0.094 25927 12067 1 20 . 1 1 85 85 GLU C C 85 178.637 178.637 178.582 0.055 25927 12068 1 20 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.170 1.206 25927 12069 1 20 . 1 1 85 85 GLU CB C 85 29.212 29.212 29.032 0.180 25927 12070 1 20 . 1 1 85 85 GLU H H 85 7.846 7.846 7.733 0.113 25927 12071 1 20 . 1 1 86 86 GLU N N 86 118.203 118.203 119.993 -1.790 25927 12072 1 20 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.072 0.032 25927 12073 1 20 . 1 1 86 86 GLU C C 86 179.080 179.080 178.749 0.331 25927 12074 1 20 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.243 0.441 25927 12075 1 20 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.237 0.321 25927 12076 1 20 . 1 1 86 86 GLU H H 86 8.154 8.154 8.510 -0.356 25927 12077 1 20 . 1 1 87 87 ALA N N 87 121.242 121.242 121.041 0.201 25927 12078 1 20 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.143 0.033 25927 12079 1 20 . 1 1 87 87 ALA C C 87 181.299 181.299 179.251 2.048 25927 12080 1 20 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.861 0.355 25927 12081 1 20 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.696 0.537 25927 12082 1 20 . 1 1 87 87 ALA H H 87 8.181 8.181 7.494 0.687 25927 12083 1 20 . 1 1 88 88 LEU N N 88 119.086 119.086 117.508 1.578 25927 12084 1 20 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.094 -0.097 25927 12085 1 20 . 1 1 88 88 LEU C C 88 179.526 179.526 178.247 1.279 25927 12086 1 20 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.010 1.538 25927 12087 1 20 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.414 -0.170 25927 12088 1 20 . 1 1 88 88 LEU H H 88 8.379 8.379 7.517 0.862 25927 12089 1 20 . 1 1 89 89 ASN N N 89 119.429 119.429 118.560 0.869 25927 12090 1 20 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.465 0.102 25927 12091 1 20 . 1 1 89 89 ASN C C 89 177.117 177.117 176.127 0.990 25927 12092 1 20 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.785 -0.781 25927 12093 1 20 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.611 -0.262 25927 12094 1 20 . 1 1 89 89 ASN H H 89 8.271 8.271 8.534 -0.263 25927 12095 1 20 . 1 1 90 90 ARG N N 90 118.735 118.735 116.201 2.534 25927 12096 1 20 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.411 -0.258 25927 12097 1 20 . 1 1 90 90 ARG C C 90 177.836 177.836 176.818 1.018 25927 12098 1 20 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.396 2.178 25927 12099 1 20 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.594 -0.364 25927 12100 1 20 . 1 1 90 90 ARG H H 90 8.010 8.010 8.067 -0.057 25927 12101 1 20 . 1 1 91 91 ARG N N 91 118.976 118.976 118.896 0.080 25927 12102 1 20 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.263 -0.054 25927 12103 1 20 . 1 1 91 91 ARG C C 91 177.455 177.455 177.822 -0.367 25927 12104 1 20 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.601 -0.575 25927 12105 1 20 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.307 -0.520 25927 12106 1 20 . 1 1 91 91 ARG H H 91 7.833 7.833 7.777 0.056 25927 12107 1 20 . 1 1 92 92 GLN N N 92 118.834 118.834 115.425 3.409 25927 12108 1 20 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.517 -0.260 25927 12109 1 20 . 1 1 92 92 GLN C C 92 177.362 177.362 177.583 -0.221 25927 12110 1 20 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.832 0.656 25927 12111 1 20 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.670 -1.538 25927 12112 1 20 . 1 1 92 92 GLN H H 92 7.988 7.988 8.111 -0.123 25927 12113 1 20 . 1 1 93 93 ILE N N 93 120.499 120.499 121.972 -1.473 25927 12114 1 20 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.759 0.257 25927 12115 1 20 . 1 1 93 93 ILE C C 93 177.002 177.002 177.245 -0.243 25927 12116 1 20 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.844 -1.983 25927 12117 1 20 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.551 1.017 25927 12118 1 20 . 1 1 93 93 ILE H H 93 7.976 7.976 7.691 0.285 25927 12119 1 20 . 1 1 94 94 ASN N N 94 120.172 120.172 118.654 1.518 25927 12120 1 20 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.316 0.323 25927 12121 1 20 . 1 1 94 94 ASN C C 94 176.336 176.336 177.785 -1.449 25927 12122 1 20 . 1 1 94 94 ASN CA C 94 54.317 54.317 57.040 -2.723 25927 12123 1 20 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.290 0.310 25927 12124 1 20 . 1 1 94 94 ASN H H 94 8.272 8.272 8.267 0.005 25927 12125 1 20 . 1 1 95 95 GLN N N 95 120.288 120.288 119.004 1.284 25927 12126 1 20 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.132 0.048 25927 12127 1 20 . 1 1 95 95 GLN C C 95 176.701 176.701 177.896 -1.195 25927 12128 1 20 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.588 -1.409 25927 12129 1 20 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.736 0.260 25927 12130 1 20 . 1 1 95 95 GLN H H 95 8.303 8.303 7.637 0.666 25927 12131 1 20 . 1 1 96 96 ALA N N 96 123.219 123.219 122.753 0.466 25927 12132 1 20 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.134 0.127 25927 12133 1 20 . 1 1 96 96 ALA C C 96 178.429 178.429 179.836 -1.407 25927 12134 1 20 . 1 1 96 96 ALA CA C 96 53.432 53.432 55.018 -1.586 25927 12135 1 20 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.547 0.226 25927 12136 1 20 . 1 1 96 96 ALA H H 96 8.112 8.112 7.533 0.579 25927 12137 1 20 . 1 1 97 97 LEU N N 97 119.452 119.452 116.377 3.075 25927 12138 1 20 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.265 0.036 25927 12139 1 20 . 1 1 97 97 LEU C C 97 177.834 177.834 178.437 -0.603 25927 12140 1 20 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.371 -1.625 25927 12141 1 20 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.413 0.877 25927 12142 1 20 . 1 1 97 97 LEU H H 97 7.932 7.932 8.269 -0.337 25927 12143 1 20 . 1 1 98 98 LEU N N 98 121.124 121.124 120.569 0.555 25927 12144 1 20 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.071 0.306 25927 12145 1 20 . 1 1 98 98 LEU C C 98 177.729 177.729 179.032 -1.303 25927 12146 1 20 . 1 1 98 98 LEU CA C 98 55.426 55.426 57.570 -2.144 25927 12147 1 20 . 1 1 98 98 LEU CB C 98 42.406 42.406 41.686 0.720 25927 12148 1 20 . 1 1 98 98 LEU H H 98 7.947 7.947 7.640 0.307 25927 12149 1 20 . 1 1 99 99 SER N N 99 115.913 115.913 115.245 0.668 25927 12150 1 20 . 1 1 99 99 SER HA H 99 4.525 4.525 4.242 0.283 25927 12151 1 20 . 1 1 99 99 SER C C 99 174.980 174.980 175.515 -0.535 25927 12152 1 20 . 1 1 99 99 SER CA C 99 58.478 58.478 60.964 -2.486 25927 12153 1 20 . 1 1 99 99 SER CB C 99 63.839 63.839 63.001 0.839 25927 12154 1 20 . 1 1 99 99 SER H H 99 8.238 8.238 8.435 -0.197 25927 12155 1 20 . 1 1 100 100 THR N N 100 114.610 114.610 115.686 -1.076 25927 12156 1 20 . 1 1 100 100 THR HA H 100 4.361 4.361 4.283 0.078 25927 12157 1 20 . 1 1 100 100 THR C C 100 175.368 175.368 175.447 -0.079 25927 12158 1 20 . 1 1 100 100 THR CA C 100 62.195 62.195 63.434 -1.239 25927 12159 1 20 . 1 1 100 100 THR CB C 100 69.794 69.794 69.198 0.596 25927 12160 1 20 . 1 1 100 100 THR H H 100 8.140 8.140 7.417 0.723 25927 12161 1 20 . 1 1 101 101 GLY N N 101 110.650 110.650 108.919 1.731 25927 12162 1 20 . 1 1 101 101 GLY C C 101 173.935 173.935 173.793 0.142 25927 12163 1 20 . 1 1 101 101 GLY CA C 101 45.493 45.493 45.608 -0.115 25927 12164 1 20 . 1 1 101 101 GLY H H 101 8.353 8.353 7.693 0.660 25927 12165 1 20 . 1 1 102 102 ASP N N 102 120.512 120.512 118.935 1.577 25927 12166 1 20 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.907 -0.304 25927 12167 1 20 . 1 1 102 102 ASP C C 102 176.419 176.419 175.591 0.828 25927 12168 1 20 . 1 1 102 102 ASP CA C 102 54.291 54.291 53.302 0.989 25927 12169 1 20 . 1 1 102 102 ASP CB C 102 41.277 41.277 44.797 -3.520 25927 12170 1 20 . 1 1 102 102 ASP H H 102 8.204 8.204 7.869 0.335 25927 12171 1 20 . 1 1 103 103 LEU N N 103 122.331 122.331 118.970 3.361 25927 12172 1 20 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.459 -0.201 25927 12173 1 20 . 1 1 103 103 LEU C C 103 177.394 177.394 175.949 1.445 25927 12174 1 20 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.464 0.064 25927 12175 1 20 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.495 -0.267 25927 12176 1 20 . 1 1 103 103 LEU H H 103 8.170 8.170 8.266 -0.096 25927 12177 1 20 . 1 1 104 104 ALA N N 104 123.139 123.139 125.331 -2.192 25927 12178 1 20 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.536 -0.336 25927 12179 1 20 . 1 1 104 104 ALA C C 104 177.730 177.730 176.440 1.290 25927 12180 1 20 . 1 1 104 104 ALA CA C 104 52.774 52.774 52.228 0.546 25927 12181 1 20 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.652 -0.647 25927 12182 1 20 . 1 1 104 104 ALA H H 104 8.150 8.150 8.404 -0.254 25927 12183 1 20 . 1 1 105 105 HIS N N 105 117.105 117.105 119.136 -2.031 25927 12184 1 20 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.656 -0.015 25927 12185 1 20 . 1 1 105 105 HIS C C 105 174.414 174.414 175.047 -0.633 25927 12186 1 20 . 1 1 105 105 HIS CA C 105 55.520 55.520 56.363 -0.843 25927 12187 1 20 . 1 1 105 105 HIS CB C 105 29.278 29.278 31.101 -1.823 25927 12188 1 20 . 1 1 105 105 HIS H H 105 8.239 8.239 8.330 -0.091 25927 12189 1 20 . 1 1 106 106 ASP N N 106 121.315 121.315 123.633 -2.318 25927 12190 1 20 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.619 -0.016 25927 12191 1 20 . 1 1 106 106 ASP C C 106 176.370 176.370 176.224 0.146 25927 12192 1 20 . 1 1 106 106 ASP CA C 106 54.319 54.319 55.090 -0.771 25927 12193 1 20 . 1 1 106 106 ASP CB C 106 41.414 41.414 39.651 1.763 25927 12194 1 20 . 1 1 106 106 ASP H H 106 8.298 8.298 8.878 -0.580 25927 12195 1 20 . 1 1 107 107 GLU N N 107 121.228 121.228 119.070 2.158 25927 12196 1 20 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.068 0.040 25927 12197 1 20 . 1 1 107 107 GLU C C 107 176.248 176.248 175.790 0.458 25927 12198 1 20 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.376 -0.184 25927 12199 1 20 . 1 1 107 107 GLU CB C 107 30.095 30.095 30.194 -0.099 25927 12200 1 20 . 1 1 107 107 GLU H H 107 8.536 8.536 7.971 0.565 25927 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 103 2.956 -0.621 2.904 25927 2 1 1 "Average Difference" HA 109 0.289 0.016 0.290 25927 3 1 1 "Average Difference" C 101 1.000 -0.092 1.000 25927 4 1 1 "Average Difference" CA 104 1.252 0.019 1.258 25927 5 1 1 "Average Difference" CB 100 1.241 0.029 1.247 25927 6 1 1 "Average Difference" HN 103 0.490 -0.092 0.484 25927 7 1 2 "Average Difference" N 103 2.885 -0.552 2.846 25927 8 1 2 "Average Difference" HA 109 0.295 0.029 0.295 25927 9 1 2 "Average Difference" C 101 0.986 -0.118 0.984 25927 10 1 2 "Average Difference" CA 104 1.264 -0.044 1.269 25927 11 1 2 "Average Difference" CB 100 1.260 0.047 1.266 25927 12 1 2 "Average Difference" HN 103 0.497 -0.105 0.488 25927 13 1 3 "Average Difference" N 103 2.903 -0.793 2.806 25927 14 1 3 "Average Difference" HA 109 0.287 0.022 0.287 25927 15 1 3 "Average Difference" C 101 0.984 -0.107 0.984 25927 16 1 3 "Average Difference" CA 104 1.233 0.017 1.238 25927 17 1 3 "Average Difference" CB 100 1.267 0.035 1.273 25927 18 1 3 "Average Difference" HN 103 0.491 -0.121 0.478 25927 19 1 4 "Average Difference" N 103 3.224 -0.865 3.121 25927 20 1 4 "Average Difference" HA 109 0.313 0.026 0.314 25927 21 1 4 "Average Difference" C 101 0.959 -0.096 0.959 25927 22 1 4 "Average Difference" CA 104 1.229 0.013 1.235 25927 23 1 4 "Average Difference" CB 100 1.292 0.088 1.296 25927 24 1 4 "Average Difference" HN 103 0.499 -0.100 0.491 25927 25 1 5 "Average Difference" N 103 2.938 -0.649 2.879 25927 26 1 5 "Average Difference" HA 109 0.293 0.008 0.295 25927 27 1 5 "Average Difference" C 101 0.990 -0.117 0.988 25927 28 1 5 "Average Difference" CA 104 1.157 -0.015 1.163 25927 29 1 5 "Average Difference" CB 100 1.243 0.029 1.249 25927 30 1 5 "Average Difference" HN 103 0.493 -0.102 0.485 25927 31 1 6 "Average Difference" N 103 3.099 -0.666 3.041 25927 32 1 6 "Average Difference" HA 109 0.292 0.010 0.294 25927 33 1 6 "Average Difference" C 101 0.981 -0.110 0.980 25927 34 1 6 "Average Difference" CA 104 1.230 -0.021 1.235 25927 35 1 6 "Average Difference" CB 100 1.241 0.034 1.247 25927 36 1 6 "Average Difference" HN 103 0.506 -0.105 0.497 25927 37 1 7 "Average Difference" N 103 2.861 -0.716 2.784 25927 38 1 7 "Average Difference" HA 109 0.303 0.031 0.302 25927 39 1 7 "Average Difference" C 101 1.002 -0.110 1.001 25927 40 1 7 "Average Difference" CA 104 1.260 -0.006 1.266 25927 41 1 7 "Average Difference" CB 100 1.289 0.094 1.292 25927 42 1 7 "Average Difference" HN 103 0.506 -0.106 0.497 25927 43 1 8 "Average Difference" N 103 2.849 -0.560 2.808 25927 44 1 8 "Average Difference" HA 109 0.288 0.020 0.289 25927 45 1 8 "Average Difference" C 101 0.994 -0.104 0.993 25927 46 1 8 "Average Difference" CA 104 1.242 0.030 1.247 25927 47 1 8 "Average Difference" CB 100 1.267 0.066 1.272 25927 48 1 8 "Average Difference" HN 103 0.494 -0.091 0.488 25927 49 1 9 "Average Difference" N 103 3.158 -0.710 3.092 25927 50 1 9 "Average Difference" HA 109 0.292 0.023 0.292 25927 51 1 9 "Average Difference" C 101 0.984 -0.077 0.986 25927 52 1 9 "Average Difference" CA 104 1.244 0.046 1.249 25927 53 1 9 "Average Difference" CB 100 1.221 0.073 1.225 25927 54 1 9 "Average Difference" HN 103 0.490 -0.119 0.478 25927 55 1 10 "Average Difference" N 103 3.095 -0.662 3.038 25927 56 1 10 "Average Difference" HA 109 0.291 -0.001 0.293 25927 57 1 10 "Average Difference" C 101 0.946 -0.099 0.945 25927 58 1 10 "Average Difference" CA 104 1.232 0.032 1.238 25927 59 1 10 "Average Difference" CB 100 1.280 0.017 1.287 25927 60 1 10 "Average Difference" HN 103 0.509 -0.116 0.498 25927 61 1 11 "Average Difference" N 103 2.948 -0.713 2.875 25927 62 1 11 "Average Difference" HA 109 0.276 0.008 0.277 25927 63 1 11 "Average Difference" C 101 1.018 -0.098 1.019 25927 64 1 11 "Average Difference" CA 104 1.258 -0.005 1.265 25927 65 1 11 "Average Difference" CB 100 1.292 -0.075 1.296 25927 66 1 11 "Average Difference" HN 103 0.501 -0.121 0.488 25927 67 1 12 "Average Difference" N 103 3.167 -0.841 3.068 25927 68 1 12 "Average Difference" HA 109 0.281 0.015 0.282 25927 69 1 12 "Average Difference" C 101 0.946 -0.079 0.947 25927 70 1 12 "Average Difference" CA 104 1.293 0.070 1.298 25927 71 1 12 "Average Difference" CB 100 1.256 0.075 1.261 25927 72 1 12 "Average Difference" HN 103 0.495 -0.107 0.486 25927 73 1 13 "Average Difference" N 103 2.898 -0.631 2.843 25927 74 1 13 "Average Difference" HA 109 0.291 0.022 0.292 25927 75 1 13 "Average Difference" C 101 0.984 -0.141 0.978 25927 76 1 13 "Average Difference" CA 104 1.211 -0.036 1.216 25927 77 1 13 "Average Difference" CB 100 1.302 0.009 1.309 25927 78 1 13 "Average Difference" HN 103 0.476 -0.102 0.467 25927 79 1 14 "Average Difference" N 103 2.926 -0.549 2.888 25927 80 1 14 "Average Difference" HA 109 0.288 0.009 0.289 25927 81 1 14 "Average Difference" C 101 0.995 -0.033 0.999 25927 82 1 14 "Average Difference" CA 104 1.284 -0.027 1.290 25927 83 1 14 "Average Difference" CB 100 1.258 -0.013 1.265 25927 84 1 14 "Average Difference" HN 103 0.492 -0.111 0.482 25927 85 1 15 "Average Difference" N 103 3.156 -0.985 3.013 25927 86 1 15 "Average Difference" HA 109 0.304 0.021 0.305 25927 87 1 15 "Average Difference" C 101 0.963 -0.100 0.962 25927 88 1 15 "Average Difference" CA 104 1.232 -0.010 1.238 25927 89 1 15 "Average Difference" CB 100 1.321 -0.003 1.327 25927 90 1 15 "Average Difference" HN 103 0.500 -0.107 0.491 25927 91 1 16 "Average Difference" N 103 3.034 -0.731 2.959 25927 92 1 16 "Average Difference" HA 109 0.297 -0.005 0.298 25927 93 1 16 "Average Difference" C 101 0.966 -0.114 0.964 25927 94 1 16 "Average Difference" CA 104 1.182 0.001 1.188 25927 95 1 16 "Average Difference" CB 100 1.248 -0.041 1.254 25927 96 1 16 "Average Difference" HN 103 0.484 -0.105 0.475 25927 97 1 17 "Average Difference" N 103 2.915 -0.705 2.842 25927 98 1 17 "Average Difference" HA 109 0.289 0.001 0.290 25927 99 1 17 "Average Difference" C 101 0.982 -0.141 0.976 25927 100 1 17 "Average Difference" CA 104 1.257 0.000 1.263 25927 101 1 17 "Average Difference" CB 100 1.294 0.027 1.300 25927 102 1 17 "Average Difference" HN 103 0.502 -0.118 0.490 25927 103 1 18 "Average Difference" N 103 2.944 -0.527 2.910 25927 104 1 18 "Average Difference" HA 109 0.271 0.015 0.272 25927 105 1 18 "Average Difference" C 101 0.973 -0.113 0.971 25927 106 1 18 "Average Difference" CA 104 1.181 0.000 1.187 25927 107 1 18 "Average Difference" CB 100 1.189 -0.027 1.194 25927 108 1 18 "Average Difference" HN 103 0.475 -0.109 0.465 25927 109 1 19 "Average Difference" N 103 2.820 -0.593 2.771 25927 110 1 19 "Average Difference" HA 109 0.290 0.025 0.290 25927 111 1 19 "Average Difference" C 101 1.001 -0.052 1.005 25927 112 1 19 "Average Difference" CA 104 1.267 0.025 1.272 25927 113 1 19 "Average Difference" CB 100 1.203 0.049 1.208 25927 114 1 19 "Average Difference" HN 103 0.489 -0.117 0.477 25927 115 1 20 "Average Difference" N 103 2.830 -0.611 2.777 25927 116 1 20 "Average Difference" HA 109 0.295 0.010 0.296 25927 117 1 20 "Average Difference" C 101 0.976 -0.078 0.977 25927 118 1 20 "Average Difference" CA 104 1.242 0.016 1.248 25927 119 1 20 "Average Difference" CB 100 1.287 0.014 1.293 25927 120 1 20 "Average Difference" HN 103 0.502 -0.121 0.490 25927 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 25927 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 VAL N N 2 119.413 119.413 119.595 -0.182 25927 2 1 . 1 1 2 2 VAL HA H 2 4.132 4.132 4.385 -0.253 25927 3 1 . 1 1 2 2 VAL C C 2 175.957 175.957 175.131 0.826 25927 4 1 . 1 1 2 2 VAL CA C 2 62.517 62.517 62.322 0.195 25927 5 1 . 1 1 2 2 VAL CB C 2 32.676 32.676 33.345 -0.669 25927 6 1 . 1 1 2 2 VAL H H 2 8.453 8.453 8.449 0.004 25927 7 1 . 1 1 3 3 GLU N N 3 125.255 125.255 123.915 1.340 25927 8 1 . 1 1 3 3 GLU HA H 3 4.348 4.348 4.633 -0.285 25927 9 1 . 1 1 3 3 GLU C C 3 176.154 176.154 175.127 1.027 25927 10 1 . 1 1 3 3 GLU CA C 3 56.469 56.469 55.915 0.554 25927 11 1 . 1 1 3 3 GLU CB C 3 30.382 30.382 31.088 -0.706 25927 12 1 . 1 1 3 3 GLU H H 3 8.587 8.587 8.447 0.140 25927 13 1 . 1 1 4 4 VAL N N 4 121.132 121.132 122.194 -1.062 25927 14 1 . 1 1 4 4 VAL HA H 4 4.121 4.121 4.181 -0.060 25927 15 1 . 1 1 4 4 VAL C C 4 175.762 175.762 175.614 0.148 25927 16 1 . 1 1 4 4 VAL CA C 4 62.028 62.028 61.776 0.252 25927 17 1 . 1 1 4 4 VAL CB C 4 33.056 33.056 33.598 -0.542 25927 18 1 . 1 1 4 4 VAL H H 4 8.172 8.172 8.155 0.017 25927 19 1 . 1 1 5 5 GLU N N 5 125.223 125.223 122.626 2.597 25927 20 1 . 1 1 5 5 GLU HA H 5 4.324 4.324 4.171 0.153 25927 21 1 . 1 1 5 5 GLU C C 5 176.006 176.006 176.016 -0.010 25927 22 1 . 1 1 5 5 GLU CA C 5 56.389 56.389 56.677 -0.288 25927 23 1 . 1 1 5 5 GLU CB C 5 30.419 30.419 27.995 2.424 25927 24 1 . 1 1 5 5 GLU H H 5 8.472 8.472 8.598 -0.126 25927 25 1 . 1 1 6 6 VAL N N 6 123.435 123.435 120.246 3.189 25927 26 1 . 1 1 6 6 VAL HA H 6 4.436 4.436 3.953 0.483 25927 27 1 . 1 1 6 6 VAL CA C 6 59.746 59.746 64.561 -4.815 25927 28 1 . 1 1 6 6 VAL CB C 6 32.738 32.738 30.789 1.949 25927 29 1 . 1 1 6 6 VAL H H 6 8.288 8.288 8.055 0.233 25927 30 1 . 1 1 7 7 PRO HA H 7 4.436 4.436 4.597 -0.161 25927 31 1 . 1 1 7 7 PRO C C 7 177.461 177.461 176.488 0.973 25927 32 1 . 1 1 7 7 PRO CA C 7 63.345 63.345 62.340 1.005 25927 33 1 . 1 1 7 7 PRO CB C 7 32.304 32.304 32.787 -0.483 25927 34 1 . 1 1 8 8 GLY N N 8 108.925 108.925 106.393 2.532 25927 35 1 . 1 1 8 8 GLY C C 8 173.995 173.995 173.280 0.715 25927 36 1 . 1 1 8 8 GLY CA C 8 45.426 45.426 44.903 0.523 25927 37 1 . 1 1 8 8 GLY H H 8 8.334 8.334 8.214 0.120 25927 38 1 . 1 1 9 9 LEU N N 9 121.559 121.559 121.120 0.439 25927 39 1 . 1 1 9 9 LEU HA H 9 4.459 4.459 4.754 -0.295 25927 40 1 . 1 1 9 9 LEU C C 9 176.870 176.870 175.747 1.123 25927 41 1 . 1 1 9 9 LEU CA C 9 55.621 55.621 54.386 1.235 25927 42 1 . 1 1 9 9 LEU CB C 9 43.048 43.048 42.235 0.813 25927 43 1 . 1 1 9 9 LEU H H 9 8.150 8.150 8.508 -0.358 25927 44 1 . 1 1 10 10 LEU N N 10 122.690 122.690 122.926 -0.236 25927 45 1 . 1 1 10 10 LEU HA H 10 5.161 5.161 4.426 0.735 25927 46 1 . 1 1 10 10 LEU C C 10 177.427 177.427 177.093 0.334 25927 47 1 . 1 1 10 10 LEU CA C 10 53.862 53.862 55.659 -1.797 25927 48 1 . 1 1 10 10 LEU CB C 10 43.648 43.648 41.664 1.984 25927 49 1 . 1 1 10 10 LEU H H 10 8.348 8.348 7.816 0.532 25927 50 1 . 1 1 11 11 THR N N 11 124.118 124.118 119.827 4.291 25927 51 1 . 1 1 11 11 THR HA H 11 4.295 4.295 4.451 -0.156 25927 52 1 . 1 1 11 11 THR C C 11 172.853 172.853 173.915 -1.062 25927 53 1 . 1 1 11 11 THR CA C 11 63.577 63.577 61.083 2.494 25927 54 1 . 1 1 11 11 THR CB C 11 69.325 69.325 71.224 -1.899 25927 55 1 . 1 1 11 11 THR H H 11 9.186 9.186 8.101 1.085 25927 56 1 . 1 1 12 12 ASP N N 12 127.226 127.226 125.638 1.588 25927 57 1 . 1 1 12 12 ASP HA H 12 4.297 4.297 3.818 0.479 25927 58 1 . 1 1 12 12 ASP C C 12 176.060 176.060 175.815 0.245 25927 59 1 . 1 1 12 12 ASP CA C 12 53.779 53.779 53.578 0.201 25927 60 1 . 1 1 12 12 ASP CB C 12 39.044 39.044 38.025 1.019 25927 61 1 . 1 1 12 12 ASP H H 12 8.880 8.880 8.420 0.460 25927 62 1 . 1 1 13 13 HIS N N 13 127.146 127.146 121.760 5.386 25927 63 1 . 1 1 13 13 HIS HA H 13 5.308 5.308 4.470 0.838 25927 64 1 . 1 1 13 13 HIS C C 13 175.365 175.365 173.953 1.412 25927 65 1 . 1 1 13 13 HIS CA C 13 53.158 53.158 55.724 -2.566 25927 66 1 . 1 1 13 13 HIS CB C 13 28.954 28.954 28.032 0.922 25927 67 1 . 1 1 13 13 HIS H H 13 8.867 8.867 7.929 0.938 25927 68 1 . 1 1 14 14 THR N N 14 112.885 112.885 110.058 2.827 25927 69 1 . 1 1 14 14 THR HA H 14 4.522 4.522 4.615 -0.093 25927 70 1 . 1 1 14 14 THR C C 14 174.626 174.626 174.258 0.368 25927 71 1 . 1 1 14 14 THR CA C 14 63.245 63.245 60.740 2.505 25927 72 1 . 1 1 14 14 THR CB C 14 70.178 70.178 70.811 -0.633 25927 73 1 . 1 1 14 14 THR H H 14 8.583 8.583 7.704 0.879 25927 74 1 . 1 1 15 15 VAL N N 15 113.207 113.207 120.311 -7.104 25927 75 1 . 1 1 15 15 VAL HA H 15 4.645 4.645 4.508 0.138 25927 76 1 . 1 1 15 15 VAL C C 15 175.216 175.216 174.512 0.704 25927 77 1 . 1 1 15 15 VAL CA C 15 62.263 62.263 61.451 0.812 25927 78 1 . 1 1 15 15 VAL CB C 15 35.380 35.380 32.676 2.704 25927 79 1 . 1 1 15 15 VAL H H 15 9.104 9.104 8.435 0.669 25927 80 1 . 1 1 16 16 SER N N 16 122.970 122.970 115.385 7.585 25927 81 1 . 1 1 16 16 SER HA H 16 4.196 4.196 4.763 -0.566 25927 82 1 . 1 1 16 16 SER C C 16 174.515 174.515 175.721 -1.206 25927 83 1 . 1 1 16 16 SER CA C 16 57.126 57.126 55.997 1.129 25927 84 1 . 1 1 16 16 SER CB C 16 67.073 67.073 65.297 1.776 25927 85 1 . 1 1 16 16 SER H H 16 9.340 9.340 7.658 1.682 25927 86 1 . 1 1 17 17 SER N N 17 116.643 116.643 121.621 -4.978 25927 87 1 . 1 1 17 17 SER HA H 17 4.157 4.157 4.302 -0.145 25927 88 1 . 1 1 17 17 SER C C 17 176.576 176.576 175.751 0.825 25927 89 1 . 1 1 17 17 SER CA C 17 62.451 62.451 61.289 1.162 25927 90 1 . 1 1 17 17 SER CB C 17 62.539 62.539 63.015 -0.476 25927 91 1 . 1 1 17 17 SER H H 17 8.926 8.926 8.888 0.038 25927 92 1 . 1 1 18 18 ILE N N 18 120.198 120.198 115.046 5.152 25927 93 1 . 1 1 18 18 ILE HA H 18 4.071 4.071 4.399 -0.328 25927 94 1 . 1 1 18 18 ILE C C 18 177.925 177.925 177.682 0.243 25927 95 1 . 1 1 18 18 ILE CA C 18 64.381 64.381 62.392 1.989 25927 96 1 . 1 1 18 18 ILE CB C 18 37.580 37.580 38.167 -0.587 25927 97 1 . 1 1 18 18 ILE H H 18 7.848 7.848 7.537 0.311 25927 98 1 . 1 1 19 19 GLY N N 19 111.905 111.905 108.745 3.160 25927 99 1 . 1 1 19 19 GLY C C 19 176.153 176.153 176.097 0.056 25927 100 1 . 1 1 19 19 GLY CA C 19 46.840 46.840 47.256 -0.416 25927 101 1 . 1 1 19 19 GLY H H 19 7.921 7.921 8.182 -0.261 25927 102 1 . 1 1 20 20 HIS N N 20 120.808 120.808 121.367 -0.559 25927 103 1 . 1 1 20 20 HIS HA H 20 4.762 4.762 4.549 0.213 25927 104 1 . 1 1 20 20 HIS C C 20 178.606 178.606 177.085 1.521 25927 105 1 . 1 1 20 20 HIS CA C 20 57.858 57.858 59.103 -1.246 25927 106 1 . 1 1 20 20 HIS CB C 20 27.715 27.715 30.217 -2.502 25927 107 1 . 1 1 20 20 HIS H H 20 8.842 8.842 8.562 0.280 25927 108 1 . 1 1 21 21 ASP N N 21 121.572 121.572 119.788 1.784 25927 109 1 . 1 1 21 21 ASP HA H 21 4.534 4.534 4.460 0.074 25927 110 1 . 1 1 21 21 ASP C C 21 179.630 179.630 178.551 1.079 25927 111 1 . 1 1 21 21 ASP CA C 21 57.505 57.505 57.276 0.229 25927 112 1 . 1 1 21 21 ASP CB C 21 39.765 39.765 40.462 -0.697 25927 113 1 . 1 1 21 21 ASP H H 21 8.592 8.592 7.731 0.861 25927 114 1 . 1 1 22 22 PHE N N 22 123.889 123.889 122.630 1.259 25927 115 1 . 1 1 22 22 PHE HA H 22 4.095 4.095 4.130 -0.034 25927 116 1 . 1 1 22 22 PHE C C 22 175.647 175.647 176.689 -1.042 25927 117 1 . 1 1 22 22 PHE CA C 22 62.928 62.928 62.118 0.810 25927 118 1 . 1 1 22 22 PHE CB C 22 39.147 39.147 39.294 -0.147 25927 119 1 . 1 1 22 22 PHE H H 22 8.790 8.790 8.939 -0.149 25927 120 1 . 1 1 23 23 TYR N N 23 119.855 119.855 120.102 -0.247 25927 121 1 . 1 1 23 23 TYR HA H 23 3.781 3.781 3.991 -0.210 25927 122 1 . 1 1 23 23 TYR C C 23 177.585 177.585 177.352 0.232 25927 123 1 . 1 1 23 23 TYR CA C 23 62.973 62.973 62.927 0.046 25927 124 1 . 1 1 23 23 TYR CB C 23 38.379 38.379 38.471 -0.092 25927 125 1 . 1 1 23 23 TYR H H 23 9.008 9.008 7.970 1.038 25927 126 1 . 1 1 24 24 ARG N N 24 120.673 120.673 118.462 2.211 25927 127 1 . 1 1 24 24 ARG HA H 24 3.718 3.718 3.848 -0.130 25927 128 1 . 1 1 24 24 ARG C C 24 177.149 177.149 178.714 -1.565 25927 129 1 . 1 1 24 24 ARG CA C 24 59.360 59.360 59.185 0.175 25927 130 1 . 1 1 24 24 ARG CB C 24 30.434 30.434 30.269 0.165 25927 131 1 . 1 1 24 24 ARG H H 24 8.576 8.576 7.650 0.926 25927 132 1 . 1 1 25 25 ALA N N 25 120.718 120.718 122.743 -2.025 25927 133 1 . 1 1 25 25 ALA HA H 25 4.111 4.111 4.104 0.007 25927 134 1 . 1 1 25 25 ALA C C 25 179.502 179.502 179.111 0.391 25927 135 1 . 1 1 25 25 ALA CA C 25 54.810 54.810 54.815 -0.005 25927 136 1 . 1 1 25 25 ALA CB C 25 19.390 19.390 18.582 0.808 25927 137 1 . 1 1 25 25 ALA H H 25 8.080 8.080 8.446 -0.366 25927 138 1 . 1 1 26 26 PHE N N 26 118.193 118.193 119.246 -1.053 25927 139 1 . 1 1 26 26 PHE HA H 26 3.498 3.498 3.859 -0.361 25927 140 1 . 1 1 26 26 PHE C C 26 177.120 177.120 176.823 0.297 25927 141 1 . 1 1 26 26 PHE CA C 26 61.297 61.297 60.779 0.518 25927 142 1 . 1 1 26 26 PHE CB C 26 39.907 39.907 39.078 0.829 25927 143 1 . 1 1 26 26 PHE H H 26 8.467 8.467 8.210 0.257 25927 144 1 . 1 1 27 27 SER N N 27 112.572 112.572 113.905 -1.333 25927 145 1 . 1 1 27 27 SER HA H 27 3.845 3.845 4.243 -0.398 25927 146 1 . 1 1 27 27 SER C C 27 176.828 176.828 176.470 0.358 25927 147 1 . 1 1 27 27 SER CA C 27 61.656 61.656 61.029 0.627 25927 148 1 . 1 1 27 27 SER CB C 27 62.952 62.952 62.857 0.096 25927 149 1 . 1 1 27 27 SER H H 27 8.477 8.477 8.022 0.455 25927 150 1 . 1 1 28 28 ASP N N 28 119.022 119.022 121.512 -2.490 25927 151 1 . 1 1 28 28 ASP HA H 28 4.424 4.424 4.497 -0.073 25927 152 1 . 1 1 28 28 ASP C C 28 177.325 177.325 177.332 -0.007 25927 153 1 . 1 1 28 28 ASP CA C 28 56.657 56.657 56.390 0.267 25927 154 1 . 1 1 28 28 ASP CB C 28 41.274 41.274 40.943 0.331 25927 155 1 . 1 1 28 28 ASP H H 28 8.019 8.019 8.065 -0.046 25927 156 1 . 1 1 29 29 LYS N N 29 115.330 115.330 115.487 -0.157 25927 157 1 . 1 1 29 29 LYS HA H 29 4.359 4.359 4.355 0.004 25927 158 1 . 1 1 29 29 LYS C C 29 175.910 175.910 176.325 -0.415 25927 159 1 . 1 1 29 29 LYS CA C 29 55.164 55.164 55.258 -0.094 25927 160 1 . 1 1 29 29 LYS CB C 29 35.310 35.310 32.668 2.642 25927 161 1 . 1 1 29 29 LYS H H 29 6.910 6.910 7.510 -0.600 25927 162 1 . 1 1 30 30 TRP N N 30 122.847 122.847 123.788 -0.941 25927 163 1 . 1 1 30 30 TRP HA H 30 4.177 4.177 4.086 0.091 25927 164 1 . 1 1 30 30 TRP C C 30 175.188 175.188 175.157 0.031 25927 165 1 . 1 1 30 30 TRP CA C 30 58.041 58.041 58.718 -0.677 25927 166 1 . 1 1 30 30 TRP CB C 30 29.920 29.920 29.691 0.229 25927 167 1 . 1 1 30 30 TRP H H 30 7.638 7.638 7.592 0.046 25927 168 1 . 1 1 31 31 GLU N N 31 128.182 128.182 125.480 2.702 25927 169 1 . 1 1 31 31 GLU HA H 31 4.159 4.159 4.020 0.139 25927 170 1 . 1 1 31 31 GLU C C 31 173.960 173.960 173.697 0.263 25927 171 1 . 1 1 31 31 GLU CA C 31 55.114 55.114 55.290 -0.176 25927 172 1 . 1 1 31 31 GLU CB C 31 31.083 31.083 31.259 -0.176 25927 173 1 . 1 1 31 31 GLU H H 31 7.426 7.426 7.386 0.040 25927 174 1 . 1 1 32 32 SER N N 32 115.672 115.672 117.766 -2.094 25927 175 1 . 1 1 32 32 SER HA H 32 4.100 4.100 4.585 -0.486 25927 176 1 . 1 1 32 32 SER C C 32 173.864 173.864 173.628 0.236 25927 177 1 . 1 1 32 32 SER CA C 32 57.344 57.344 57.496 -0.152 25927 178 1 . 1 1 32 32 SER CB C 32 64.220 64.220 65.285 -1.065 25927 179 1 . 1 1 32 32 SER H H 32 7.276 7.276 7.985 -0.709 25927 180 1 . 1 1 33 33 ASP N N 33 123.759 123.759 121.503 2.256 25927 181 1 . 1 1 33 33 ASP HA H 33 4.623 4.623 4.626 -0.003 25927 182 1 . 1 1 33 33 ASP C C 33 176.175 176.175 176.506 -0.331 25927 183 1 . 1 1 33 33 ASP CA C 33 54.129 54.129 54.679 -0.550 25927 184 1 . 1 1 33 33 ASP CB C 33 40.610 40.610 41.391 -0.781 25927 185 1 . 1 1 33 33 ASP H H 33 8.429 8.429 8.647 -0.218 25927 186 1 . 1 1 34 34 TYR N N 34 122.283 122.283 118.564 3.719 25927 187 1 . 1 1 34 34 TYR HA H 34 4.574 4.574 4.644 -0.070 25927 188 1 . 1 1 34 34 TYR C C 34 177.025 177.025 176.186 0.839 25927 189 1 . 1 1 34 34 TYR CA C 34 58.817 58.817 57.426 1.391 25927 190 1 . 1 1 34 34 TYR CB C 34 39.134 39.134 39.081 0.052 25927 191 1 . 1 1 34 34 TYR H H 34 8.649 8.649 7.745 0.904 25927 192 1 . 1 1 35 35 THR N N 35 116.852 116.852 112.807 4.045 25927 193 1 . 1 1 35 35 THR HA H 35 4.311 4.311 4.119 0.192 25927 194 1 . 1 1 35 35 THR C C 35 174.704 174.704 174.285 0.419 25927 195 1 . 1 1 35 35 THR CA C 35 61.364 61.364 62.981 -1.617 25927 196 1 . 1 1 35 35 THR CB C 35 69.454 69.454 68.795 0.659 25927 197 1 . 1 1 35 35 THR H H 35 8.067 8.067 8.451 -0.384 25927 198 1 . 1 1 36 36 GLY N N 36 107.698 107.698 107.439 0.259 25927 199 1 . 1 1 36 36 GLY C C 36 171.455 171.455 174.195 -2.740 25927 200 1 . 1 1 36 36 GLY CA C 36 44.518 44.518 45.086 -0.568 25927 201 1 . 1 1 36 36 GLY H H 36 5.732 5.732 6.588 -0.856 25927 202 1 . 1 1 37 37 ASN N N 37 117.424 117.424 118.920 -1.496 25927 203 1 . 1 1 37 37 ASN HA H 37 4.985 4.985 4.723 0.262 25927 204 1 . 1 1 37 37 ASN C C 37 175.393 175.393 173.694 1.699 25927 205 1 . 1 1 37 37 ASN CA C 37 53.833 53.833 53.267 0.566 25927 206 1 . 1 1 37 37 ASN CB C 37 40.513 40.513 37.259 3.254 25927 207 1 . 1 1 37 37 ASN H H 37 8.346 8.346 8.500 -0.154 25927 208 1 . 1 1 38 38 LEU N N 38 126.809 126.809 118.590 8.219 25927 209 1 . 1 1 38 38 LEU HA H 38 4.998 4.998 5.643 -0.645 25927 210 1 . 1 1 38 38 LEU C C 38 175.770 175.770 175.353 0.417 25927 211 1 . 1 1 38 38 LEU CA C 38 55.014 55.014 52.838 2.176 25927 212 1 . 1 1 38 38 LEU CB C 38 45.066 45.066 45.574 -0.508 25927 213 1 . 1 1 38 38 LEU H H 38 8.469 8.469 7.778 0.691 25927 214 1 . 1 1 39 39 THR N N 39 119.369 119.369 114.193 5.176 25927 215 1 . 1 1 39 39 THR HA H 39 4.799 4.799 4.916 -0.117 25927 216 1 . 1 1 39 39 THR C C 39 172.224 172.224 172.688 -0.464 25927 217 1 . 1 1 39 39 THR CA C 39 61.958 61.958 60.554 1.404 25927 218 1 . 1 1 39 39 THR CB C 39 70.327 70.327 72.108 -1.781 25927 219 1 . 1 1 39 39 THR H H 39 8.849 8.849 8.894 -0.045 25927 220 1 . 1 1 40 40 ILE N N 40 125.490 125.490 123.841 1.649 25927 221 1 . 1 1 40 40 ILE HA H 40 4.520 4.520 4.371 0.149 25927 222 1 . 1 1 40 40 ILE C C 40 173.125 173.125 173.742 -0.617 25927 223 1 . 1 1 40 40 ILE CA C 40 61.181 61.181 60.354 0.827 25927 224 1 . 1 1 40 40 ILE CB C 40 37.450 37.450 40.203 -2.753 25927 225 1 . 1 1 40 40 ILE H H 40 8.562 8.562 7.935 0.627 25927 226 1 . 1 1 41 41 ASN N N 41 124.656 124.656 124.073 0.583 25927 227 1 . 1 1 41 41 ASN HA H 41 4.900 4.900 5.650 -0.750 25927 228 1 . 1 1 41 41 ASN C C 41 173.445 173.445 173.991 -0.546 25927 229 1 . 1 1 41 41 ASN CA C 41 52.079 52.079 51.624 0.455 25927 230 1 . 1 1 41 41 ASN CB C 41 42.116 42.116 42.380 -0.264 25927 231 1 . 1 1 41 41 ASN H H 41 9.173 9.173 8.780 0.393 25927 232 1 . 1 1 42 42 GLU N N 42 120.095 120.095 121.690 -1.595 25927 233 1 . 1 1 42 42 GLU HA H 42 5.385 5.385 5.334 0.051 25927 234 1 . 1 1 42 42 GLU C C 42 173.971 173.971 175.329 -1.358 25927 235 1 . 1 1 42 42 GLU CA C 42 54.130 54.130 54.628 -0.497 25927 236 1 . 1 1 42 42 GLU CB C 42 35.457 35.457 33.421 2.036 25927 237 1 . 1 1 42 42 GLU H H 42 7.741 7.741 8.303 -0.562 25927 238 1 . 1 1 43 43 ARG N N 43 127.178 127.178 121.581 5.597 25927 239 1 . 1 1 43 43 ARG HA H 43 5.033 5.033 4.818 0.215 25927 240 1 . 1 1 43 43 ARG CA C 43 52.695 52.695 52.386 0.309 25927 241 1 . 1 1 43 43 ARG CB C 43 32.488 32.488 32.399 0.089 25927 242 1 . 1 1 43 43 ARG H H 43 9.039 9.039 8.728 0.311 25927 243 1 . 1 1 44 44 PRO HA H 44 4.727 4.727 4.738 -0.011 25927 244 1 . 1 1 44 44 PRO C C 44 176.335 176.335 176.129 0.206 25927 245 1 . 1 1 44 44 PRO CA C 44 63.342 63.342 62.642 0.700 25927 246 1 . 1 1 44 44 PRO CB C 44 32.674 32.674 32.186 0.488 25927 247 1 . 1 1 45 45 SER N N 45 117.089 117.089 121.995 -4.906 25927 248 1 . 1 1 45 45 SER HA H 45 4.837 4.837 4.721 0.116 25927 249 1 . 1 1 45 45 SER C C 45 174.334 174.334 174.631 -0.297 25927 250 1 . 1 1 45 45 SER CA C 45 56.688 56.688 57.560 -0.872 25927 251 1 . 1 1 45 45 SER CB C 45 64.628 64.628 64.663 -0.035 25927 252 1 . 1 1 45 45 SER H H 45 8.497 8.497 8.934 -0.437 25927 253 1 . 1 1 46 46 ALA N N 46 126.901 126.901 128.136 -1.235 25927 254 1 . 1 1 46 46 ALA HA H 46 4.222 4.222 4.098 0.124 25927 255 1 . 1 1 46 46 ALA C C 46 178.171 178.171 178.517 -0.346 25927 256 1 . 1 1 46 46 ALA CA C 46 54.088 54.088 54.234 -0.146 25927 257 1 . 1 1 46 46 ALA CB C 46 18.592 18.592 18.848 -0.256 25927 258 1 . 1 1 46 46 ALA H H 46 8.780 8.780 8.732 0.048 25927 259 1 . 1 1 47 47 ARG N N 47 117.860 117.860 117.340 0.520 25927 260 1 . 1 1 47 47 ARG HA H 47 4.410 4.410 4.153 0.257 25927 261 1 . 1 1 47 47 ARG C C 47 175.674 175.674 176.608 -0.934 25927 262 1 . 1 1 47 47 ARG CA C 47 56.252 56.252 58.058 -1.806 25927 263 1 . 1 1 47 47 ARG CB C 47 30.586 30.586 29.761 0.825 25927 264 1 . 1 1 47 47 ARG H H 47 8.381 8.381 8.039 0.342 25927 265 1 . 1 1 48 48 ALA N N 48 121.099 121.099 117.565 3.534 25927 266 1 . 1 1 48 48 ALA HA H 48 4.419 4.419 4.610 -0.191 25927 267 1 . 1 1 48 48 ALA C C 48 176.874 176.874 175.962 0.912 25927 268 1 . 1 1 48 48 ALA CA C 48 53.268 53.268 52.200 1.068 25927 269 1 . 1 1 48 48 ALA CB C 48 19.781 19.781 21.459 -1.678 25927 270 1 . 1 1 48 48 ALA H H 48 8.012 8.012 8.102 -0.090 25927 271 1 . 1 1 49 49 GLY N N 49 106.126 106.126 107.202 -1.076 25927 272 1 . 1 1 49 49 GLY C C 49 172.803 172.803 172.038 0.765 25927 273 1 . 1 1 49 49 GLY CA C 49 44.490 44.490 45.988 -1.498 25927 274 1 . 1 1 49 49 GLY H H 49 7.946 7.946 8.470 -0.524 25927 275 1 . 1 1 50 50 SER N N 50 113.972 113.972 116.114 -2.142 25927 276 1 . 1 1 50 50 SER HA H 50 4.736 4.736 5.169 -0.433 25927 277 1 . 1 1 50 50 SER C C 50 171.367 171.367 172.685 -1.318 25927 278 1 . 1 1 50 50 SER CA C 50 57.165 57.165 56.244 0.921 25927 279 1 . 1 1 50 50 SER CB C 50 66.797 66.797 66.237 0.560 25927 280 1 . 1 1 50 50 SER H H 50 7.631 7.631 8.085 -0.454 25927 281 1 . 1 1 51 51 TRP N N 51 121.787 121.787 123.890 -2.103 25927 282 1 . 1 1 51 51 TRP HA H 51 4.856 4.856 4.302 0.554 25927 283 1 . 1 1 51 51 TRP C C 51 176.055 176.055 175.836 0.219 25927 284 1 . 1 1 51 51 TRP CA C 51 56.793 56.793 57.285 -0.492 25927 285 1 . 1 1 51 51 TRP CB C 51 30.534 30.534 30.482 0.052 25927 286 1 . 1 1 51 51 TRP H H 51 8.588 8.588 8.651 -0.063 25927 287 1 . 1 1 52 52 ILE N N 52 126.898 126.898 125.118 1.780 25927 288 1 . 1 1 52 52 ILE HA H 52 5.071 5.071 4.812 0.259 25927 289 1 . 1 1 52 52 ILE C C 52 175.754 175.754 175.176 0.578 25927 290 1 . 1 1 52 52 ILE CA C 52 56.733 56.733 58.599 -1.866 25927 291 1 . 1 1 52 52 ILE CB C 52 38.355 38.355 38.142 0.213 25927 292 1 . 1 1 52 52 ILE H H 52 8.963 8.963 9.099 -0.136 25927 293 1 . 1 1 53 53 THR N N 53 116.271 116.271 123.724 -7.453 25927 294 1 . 1 1 53 53 THR HA H 53 5.095 5.095 4.786 0.309 25927 295 1 . 1 1 53 53 THR C C 53 173.382 173.382 172.857 0.525 25927 296 1 . 1 1 53 53 THR CA C 53 59.290 59.290 61.778 -2.488 25927 297 1 . 1 1 53 53 THR CB C 53 71.819 71.819 70.882 0.937 25927 298 1 . 1 1 53 53 THR H H 53 8.371 8.371 9.147 -0.776 25927 299 1 . 1 1 54 54 ILE N N 54 124.947 124.947 129.708 -4.761 25927 300 1 . 1 1 54 54 ILE HA H 54 5.183 5.183 5.080 0.103 25927 301 1 . 1 1 54 54 ILE C C 54 175.952 175.952 173.904 2.048 25927 302 1 . 1 1 54 54 ILE CA C 54 60.594 60.594 58.357 2.237 25927 303 1 . 1 1 54 54 ILE CB C 54 38.617 38.617 40.793 -2.176 25927 304 1 . 1 1 54 54 ILE H H 54 9.056 9.056 9.034 0.022 25927 305 1 . 1 1 55 55 THR N N 55 118.298 118.298 123.128 -4.830 25927 306 1 . 1 1 55 55 THR HA H 55 5.458 5.458 5.117 0.341 25927 307 1 . 1 1 55 55 THR C C 55 173.980 173.980 173.572 0.408 25927 308 1 . 1 1 55 55 THR CA C 55 58.717 58.717 59.769 -1.052 25927 309 1 . 1 1 55 55 THR CB C 55 71.839 71.839 71.031 0.808 25927 310 1 . 1 1 55 55 THR H H 55 9.250 9.250 8.892 0.358 25927 311 1 . 1 1 56 56 VAL N N 56 120.047 120.047 126.001 -5.954 25927 312 1 . 1 1 56 56 VAL HA H 56 4.420 4.420 4.703 -0.283 25927 313 1 . 1 1 56 56 VAL C C 56 176.226 176.226 176.516 -0.290 25927 314 1 . 1 1 56 56 VAL CA C 56 61.041 61.041 61.714 -0.673 25927 315 1 . 1 1 56 56 VAL CB C 56 33.761 33.761 31.995 1.766 25927 316 1 . 1 1 56 56 VAL H H 56 8.435 8.435 8.820 -0.385 25927 317 1 . 1 1 57 57 ASN N N 57 125.479 125.479 126.848 -1.369 25927 318 1 . 1 1 57 57 ASN HA H 57 4.195 4.195 4.261 -0.066 25927 319 1 . 1 1 57 57 ASN C C 57 175.026 175.026 175.578 -0.552 25927 320 1 . 1 1 57 57 ASN CA C 57 55.696 55.696 56.573 -0.877 25927 321 1 . 1 1 57 57 ASN CB C 57 36.999 36.999 37.344 -0.345 25927 322 1 . 1 1 57 57 ASN H H 57 9.199 9.199 9.377 -0.178 25927 323 1 . 1 1 58 58 GLN N N 58 116.897 116.897 116.296 0.601 25927 324 1 . 1 1 58 58 GLN HA H 58 4.186 4.186 4.484 -0.298 25927 325 1 . 1 1 58 58 GLN C C 58 175.237 175.237 174.786 0.451 25927 326 1 . 1 1 58 58 GLN CA C 58 56.839 56.839 55.492 1.347 25927 327 1 . 1 1 58 58 GLN CB C 58 28.583 28.583 31.051 -2.468 25927 328 1 . 1 1 58 58 GLN H H 58 8.576 8.576 8.245 0.331 25927 329 1 . 1 1 59 59 ASP N N 59 122.465 122.465 122.851 -0.386 25927 330 1 . 1 1 59 59 ASP HA H 59 4.716 4.716 4.895 -0.178 25927 331 1 . 1 1 59 59 ASP C C 59 175.302 175.302 174.496 0.806 25927 332 1 . 1 1 59 59 ASP CA C 59 54.133 54.133 53.738 0.395 25927 333 1 . 1 1 59 59 ASP CB C 59 41.453 41.453 44.112 -2.659 25927 334 1 . 1 1 59 59 ASP H H 59 8.343 8.343 8.246 0.097 25927 335 1 . 1 1 60 60 VAL N N 60 124.577 124.577 123.532 1.045 25927 336 1 . 1 1 60 60 VAL HA H 60 3.877 3.877 4.138 -0.261 25927 337 1 . 1 1 60 60 VAL C C 60 176.802 176.802 175.609 1.193 25927 338 1 . 1 1 60 60 VAL CA C 60 63.781 63.781 62.987 0.794 25927 339 1 . 1 1 60 60 VAL CB C 60 31.734 31.734 32.683 -0.949 25927 340 1 . 1 1 60 60 VAL H H 60 8.754 8.754 8.731 0.023 25927 341 1 . 1 1 61 61 ILE N N 61 123.852 123.852 124.251 -0.399 25927 342 1 . 1 1 61 61 ILE HA H 61 4.519 4.519 4.567 -0.048 25927 343 1 . 1 1 61 61 ILE C C 61 175.073 175.073 175.143 -0.070 25927 344 1 . 1 1 61 61 ILE CA C 61 60.599 60.599 61.211 -0.612 25927 345 1 . 1 1 61 61 ILE CB C 61 38.970 38.970 40.177 -1.207 25927 346 1 . 1 1 61 61 ILE H H 61 8.984 8.984 8.082 0.902 25927 347 1 . 1 1 62 62 PHE N N 62 119.927 119.927 120.907 -0.980 25927 348 1 . 1 1 62 62 PHE HA H 62 4.646 4.646 4.866 -0.220 25927 349 1 . 1 1 62 62 PHE C C 62 171.958 171.958 172.788 -0.830 25927 350 1 . 1 1 62 62 PHE CA C 62 58.371 58.371 57.281 1.090 25927 351 1 . 1 1 62 62 PHE CB C 62 42.810 42.810 42.745 0.065 25927 352 1 . 1 1 62 62 PHE H H 62 7.557 7.557 7.604 -0.047 25927 353 1 . 1 1 63 63 GLN N N 63 125.524 125.524 122.677 2.847 25927 354 1 . 1 1 63 63 GLN HA H 63 5.109 5.109 4.801 0.308 25927 355 1 . 1 1 63 63 GLN C C 63 172.837 172.837 173.545 -0.708 25927 356 1 . 1 1 63 63 GLN CA C 63 53.762 53.762 53.892 -0.130 25927 357 1 . 1 1 63 63 GLN CB C 63 32.680 32.680 32.778 -0.098 25927 358 1 . 1 1 63 63 GLN H H 63 7.389 7.389 7.684 -0.295 25927 359 1 . 1 1 64 64 THR N N 64 115.981 115.981 114.764 1.217 25927 360 1 . 1 1 64 64 THR HA H 64 4.428 4.428 4.509 -0.081 25927 361 1 . 1 1 64 64 THR C C 64 169.980 169.980 172.056 -2.076 25927 362 1 . 1 1 64 64 THR CA C 64 60.555 60.555 60.984 -0.429 25927 363 1 . 1 1 64 64 THR CB C 64 69.083 69.083 71.616 -2.533 25927 364 1 . 1 1 64 64 THR H H 64 8.588 8.588 8.723 -0.135 25927 365 1 . 1 1 65 65 PHE N N 65 125.997 125.997 123.927 2.070 25927 366 1 . 1 1 65 65 PHE HA H 65 4.414 4.414 4.548 -0.134 25927 367 1 . 1 1 65 65 PHE C C 65 173.940 173.940 174.371 -0.431 25927 368 1 . 1 1 65 65 PHE CA C 65 57.250 57.250 56.868 0.382 25927 369 1 . 1 1 65 65 PHE CB C 65 40.713 40.713 39.927 0.786 25927 370 1 . 1 1 65 65 PHE H H 65 8.054 8.054 8.260 -0.206 25927 371 1 . 1 1 66 66 LEU N N 66 127.935 127.935 126.036 1.899 25927 372 1 . 1 1 66 66 LEU HA H 66 4.452 4.452 4.547 -0.095 25927 373 1 . 1 1 66 66 LEU C C 66 174.502 174.502 175.159 -0.657 25927 374 1 . 1 1 66 66 LEU CB C 66 43.609 43.609 44.414 -0.805 25927 375 1 . 1 1 66 66 LEU H H 66 8.383 8.383 8.567 -0.184 25927 376 1 . 1 1 67 67 PHE N N 67 123.162 123.162 119.417 3.745 25927 377 1 . 1 1 67 67 PHE HA H 67 4.624 4.624 5.355 -0.731 25927 378 1 . 1 1 67 67 PHE CB C 67 39.127 39.127 40.704 -1.577 25927 379 1 . 1 1 67 67 PHE H H 67 8.285 8.285 8.842 -0.557 25927 380 1 . 1 1 68 68 PRO HA H 68 4.447 4.447 4.502 -0.055 25927 381 1 . 1 1 68 68 PRO C C 68 175.918 175.918 177.065 -1.147 25927 382 1 . 1 1 68 68 PRO CA C 68 61.623 61.623 64.019 -2.396 25927 383 1 . 1 1 68 68 PRO CB C 68 32.221 32.221 32.309 -0.088 25927 384 1 . 1 1 69 69 LEU N N 69 121.360 121.360 119.246 2.114 25927 385 1 . 1 1 69 69 LEU HA H 69 4.194 4.194 4.384 -0.190 25927 386 1 . 1 1 69 69 LEU CA C 69 55.251 55.251 55.625 -0.374 25927 387 1 . 1 1 69 69 LEU CB C 69 40.677 40.677 42.142 -1.465 25927 388 1 . 1 1 69 69 LEU H H 69 8.300 8.300 8.289 0.011 25927 389 1 . 1 1 70 70 LYS N N 70 123.012 123.012 118.326 4.686 25927 390 1 . 1 1 70 70 LYS CA C 70 55.700 55.700 55.890 -0.190 25927 391 1 . 1 1 70 70 LYS CB C 70 29.720 29.720 33.219 -3.500 25927 392 1 . 1 1 70 70 LYS H H 70 8.156 8.156 7.828 0.328 25927 393 1 . 1 1 71 71 ARG N N 71 125.250 125.250 121.475 3.775 25927 394 1 . 1 1 71 71 ARG C C 71 179.581 179.581 176.701 2.880 25927 395 1 . 1 1 71 71 ARG CA C 71 57.218 57.218 56.544 0.674 25927 396 1 . 1 1 71 71 ARG H H 71 8.279 8.279 8.805 -0.526 25927 397 1 . 1 1 72 72 ASP N N 72 119.355 119.355 120.062 -0.707 25927 398 1 . 1 1 72 72 ASP HA H 72 4.746 4.746 4.554 0.192 25927 399 1 . 1 1 72 72 ASP C C 72 177.124 177.124 177.218 -0.094 25927 400 1 . 1 1 72 72 ASP CA C 72 55.673 55.673 55.618 0.055 25927 401 1 . 1 1 72 72 ASP CB C 72 40.047 40.047 40.399 -0.352 25927 402 1 . 1 1 72 72 ASP H H 72 8.182 8.182 8.303 -0.121 25927 403 1 . 1 1 73 73 PHE N N 73 122.846 122.846 121.807 1.039 25927 404 1 . 1 1 73 73 PHE HA H 73 4.130 4.130 4.108 0.022 25927 405 1 . 1 1 73 73 PHE C C 73 176.729 176.729 176.780 -0.051 25927 406 1 . 1 1 73 73 PHE CA C 73 63.022 63.022 62.110 0.912 25927 407 1 . 1 1 73 73 PHE CB C 73 40.204 40.204 39.235 0.969 25927 408 1 . 1 1 73 73 PHE H H 73 8.197 8.197 8.218 -0.021 25927 409 1 . 1 1 74 74 GLU N N 74 118.652 118.652 118.598 0.055 25927 410 1 . 1 1 74 74 GLU HA H 74 3.844 3.844 3.890 -0.046 25927 411 1 . 1 1 74 74 GLU C C 74 179.310 179.310 178.703 0.607 25927 412 1 . 1 1 74 74 GLU CA C 74 60.651 60.651 59.703 0.948 25927 413 1 . 1 1 74 74 GLU CB C 74 28.649 28.649 29.391 -0.742 25927 414 1 . 1 1 74 74 GLU H H 74 9.098 9.098 9.019 0.079 25927 415 1 . 1 1 75 75 LYS N N 75 117.836 117.836 119.416 -1.581 25927 416 1 . 1 1 75 75 LYS HA H 75 4.079 4.079 4.093 -0.014 25927 417 1 . 1 1 75 75 LYS C C 75 179.312 179.312 179.324 -0.012 25927 418 1 . 1 1 75 75 LYS CA C 75 59.280 59.280 59.392 -0.112 25927 419 1 . 1 1 75 75 LYS CB C 75 32.343 32.343 32.220 0.123 25927 420 1 . 1 1 75 75 LYS H H 75 8.078 8.078 7.738 0.340 25927 421 1 . 1 1 76 76 THR N N 76 118.581 118.581 117.624 0.957 25927 422 1 . 1 1 76 76 THR HA H 76 4.168 4.168 4.136 0.032 25927 423 1 . 1 1 76 76 THR C C 76 175.873 175.873 176.786 -0.913 25927 424 1 . 1 1 76 76 THR CA C 76 67.009 67.009 66.938 0.071 25927 425 1 . 1 1 76 76 THR CB C 76 68.404 68.404 68.560 -0.156 25927 426 1 . 1 1 76 76 THR H H 76 8.031 8.031 8.368 -0.337 25927 427 1 . 1 1 77 77 VAL N N 77 122.994 122.994 121.661 1.333 25927 428 1 . 1 1 77 77 VAL HA H 77 3.392 3.392 3.537 -0.145 25927 429 1 . 1 1 77 77 VAL C C 77 177.137 177.137 177.583 -0.446 25927 430 1 . 1 1 77 77 VAL CA C 77 67.455 67.455 66.885 0.570 25927 431 1 . 1 1 77 77 VAL CB C 77 31.573 31.573 31.244 0.328 25927 432 1 . 1 1 77 77 VAL H H 77 7.999 7.999 8.126 -0.127 25927 433 1 . 1 1 78 78 VAL N N 78 117.994 117.994 118.914 -0.920 25927 434 1 . 1 1 78 78 VAL HA H 78 3.548 3.548 3.494 0.054 25927 435 1 . 1 1 78 78 VAL C C 78 177.830 177.830 177.533 0.297 25927 436 1 . 1 1 78 78 VAL CA C 78 67.274 67.274 66.422 0.852 25927 437 1 . 1 1 78 78 VAL CB C 78 31.743 31.743 31.287 0.456 25927 438 1 . 1 1 78 78 VAL H H 78 7.745 7.745 7.966 -0.221 25927 439 1 . 1 1 79 79 ALA N N 79 120.460 120.460 121.213 -0.753 25927 440 1 . 1 1 79 79 ALA HA H 79 4.180 4.180 4.069 0.111 25927 441 1 . 1 1 79 79 ALA C C 79 176.512 176.512 179.145 -2.633 25927 442 1 . 1 1 79 79 ALA CA C 79 55.101 55.101 54.923 0.178 25927 443 1 . 1 1 79 79 ALA CB C 79 18.170 18.170 18.107 0.063 25927 444 1 . 1 1 79 79 ALA H H 79 7.844 7.844 8.432 -0.588 25927 445 1 . 1 1 80 80 ALA N N 80 119.351 119.351 120.604 -1.253 25927 446 1 . 1 1 80 80 ALA HA H 80 2.996 2.996 3.725 -0.729 25927 447 1 . 1 1 80 80 ALA C C 80 180.805 180.805 179.444 1.361 25927 448 1 . 1 1 80 80 ALA CA C 80 54.657 54.657 54.900 -0.243 25927 449 1 . 1 1 80 80 ALA CB C 80 19.358 19.358 18.483 0.875 25927 450 1 . 1 1 80 80 ALA H H 80 8.178 8.178 8.053 0.126 25927 451 1 . 1 1 81 81 LEU N N 81 123.041 123.041 119.486 3.555 25927 452 1 . 1 1 81 81 LEU HA H 81 3.864 3.864 4.016 -0.152 25927 453 1 . 1 1 81 81 LEU C C 81 179.526 179.526 179.068 0.458 25927 454 1 . 1 1 81 81 LEU CA C 81 58.885 58.885 57.753 1.132 25927 455 1 . 1 1 81 81 LEU CB C 81 42.551 42.551 41.600 0.950 25927 456 1 . 1 1 81 81 LEU H H 81 8.469 8.469 7.256 1.213 25927 457 1 . 1 1 82 82 ILE N N 82 119.350 119.350 118.612 0.738 25927 458 1 . 1 1 82 82 ILE HA H 82 3.827 3.827 3.610 0.217 25927 459 1 . 1 1 82 82 ILE C C 82 179.375 179.375 178.147 1.228 25927 460 1 . 1 1 82 82 ILE CA C 82 64.579 64.579 65.333 -0.754 25927 461 1 . 1 1 82 82 ILE CB C 82 38.614 38.614 37.648 0.965 25927 462 1 . 1 1 82 82 ILE H H 82 7.988 7.988 7.294 0.694 25927 463 1 . 1 1 83 83 GLN N N 83 118.033 118.033 118.381 -0.348 25927 464 1 . 1 1 83 83 GLN HA H 83 4.193 4.193 3.922 0.271 25927 465 1 . 1 1 83 83 GLN C C 83 179.932 179.932 178.619 1.313 25927 466 1 . 1 1 83 83 GLN CA C 83 59.163 59.163 58.779 0.383 25927 467 1 . 1 1 83 83 GLN CB C 83 28.694 28.694 28.012 0.682 25927 468 1 . 1 1 83 83 GLN H H 83 8.665 8.665 8.179 0.486 25927 469 1 . 1 1 84 84 THR N N 84 118.583 118.583 115.344 3.239 25927 470 1 . 1 1 84 84 THR HA H 84 3.813 3.813 4.056 -0.243 25927 471 1 . 1 1 84 84 THR C C 84 175.824 175.824 176.235 -0.411 25927 472 1 . 1 1 84 84 THR CA C 84 68.515 68.515 67.542 0.973 25927 473 1 . 1 1 84 84 THR CB C 84 67.514 67.514 68.814 -1.300 25927 474 1 . 1 1 84 84 THR H H 84 8.355 8.355 8.182 0.173 25927 475 1 . 1 1 85 85 GLU N N 85 121.547 121.547 120.664 0.883 25927 476 1 . 1 1 85 85 GLU HA H 85 4.173 4.173 4.116 0.057 25927 477 1 . 1 1 85 85 GLU C C 85 178.637 178.637 178.535 0.102 25927 478 1 . 1 1 85 85 GLU CA C 85 60.376 60.376 59.147 1.229 25927 479 1 . 1 1 85 85 GLU CB C 85 29.212 29.212 28.936 0.277 25927 480 1 . 1 1 85 85 GLU H H 85 7.846 7.846 7.816 0.030 25927 481 1 . 1 1 86 86 GLU N N 86 118.203 118.203 119.485 -1.282 25927 482 1 . 1 1 86 86 GLU HA H 86 4.104 4.104 4.027 0.077 25927 483 1 . 1 1 86 86 GLU C C 86 179.080 179.080 178.833 0.247 25927 484 1 . 1 1 86 86 GLU CA C 86 59.684 59.684 59.040 0.644 25927 485 1 . 1 1 86 86 GLU CB C 86 29.558 29.558 29.105 0.453 25927 486 1 . 1 1 86 86 GLU H H 86 8.154 8.154 8.521 -0.368 25927 487 1 . 1 1 87 87 ALA N N 87 121.242 121.242 121.387 -0.145 25927 488 1 . 1 1 87 87 ALA HA H 87 4.176 4.176 4.144 0.032 25927 489 1 . 1 1 87 87 ALA C C 87 181.299 181.299 179.282 2.017 25927 490 1 . 1 1 87 87 ALA CA C 87 55.216 55.216 54.793 0.423 25927 491 1 . 1 1 87 87 ALA CB C 87 19.233 19.233 18.650 0.583 25927 492 1 . 1 1 87 87 ALA H H 87 8.181 8.181 7.478 0.703 25927 493 1 . 1 1 88 88 LEU N N 88 119.086 119.086 117.642 1.444 25927 494 1 . 1 1 88 88 LEU HA H 88 3.997 3.997 4.086 -0.089 25927 495 1 . 1 1 88 88 LEU C C 88 179.526 179.526 178.357 1.169 25927 496 1 . 1 1 88 88 LEU CA C 88 57.548 57.548 56.137 1.411 25927 497 1 . 1 1 88 88 LEU CB C 88 41.244 41.244 41.434 -0.190 25927 498 1 . 1 1 88 88 LEU H H 88 8.379 8.379 7.468 0.911 25927 499 1 . 1 1 89 89 ASN N N 89 119.429 119.429 118.509 0.920 25927 500 1 . 1 1 89 89 ASN HA H 89 4.567 4.567 4.445 0.122 25927 501 1 . 1 1 89 89 ASN C C 89 177.117 177.117 176.519 0.598 25927 502 1 . 1 1 89 89 ASN CA C 89 56.004 56.004 56.707 -0.703 25927 503 1 . 1 1 89 89 ASN CB C 89 38.349 38.349 38.418 -0.069 25927 504 1 . 1 1 89 89 ASN H H 89 8.271 8.271 8.650 -0.379 25927 505 1 . 1 1 90 90 ARG N N 90 118.735 118.735 116.656 2.079 25927 506 1 . 1 1 90 90 ARG HA H 90 4.153 4.153 4.397 -0.244 25927 507 1 . 1 1 90 90 ARG C C 90 177.836 177.836 177.135 0.701 25927 508 1 . 1 1 90 90 ARG CA C 90 58.574 58.574 56.402 2.171 25927 509 1 . 1 1 90 90 ARG CB C 90 30.230 30.230 30.288 -0.058 25927 510 1 . 1 1 90 90 ARG H H 90 8.010 8.010 7.825 0.185 25927 511 1 . 1 1 91 91 ARG N N 91 118.976 118.976 119.006 -0.030 25927 512 1 . 1 1 91 91 ARG HA H 91 4.209 4.209 4.247 -0.038 25927 513 1 . 1 1 91 91 ARG C C 91 177.455 177.455 177.834 -0.379 25927 514 1 . 1 1 91 91 ARG CA C 91 58.026 58.026 58.500 -0.474 25927 515 1 . 1 1 91 91 ARG CB C 91 30.787 30.787 31.182 -0.395 25927 516 1 . 1 1 91 91 ARG H H 91 7.833 7.833 7.679 0.154 25927 517 1 . 1 1 92 92 GLN N N 92 118.834 118.834 114.880 3.954 25927 518 1 . 1 1 92 92 GLN HA H 92 4.257 4.257 4.493 -0.236 25927 519 1 . 1 1 92 92 GLN C C 92 177.362 177.362 177.728 -0.366 25927 520 1 . 1 1 92 92 GLN CA C 92 57.488 57.488 56.816 0.672 25927 521 1 . 1 1 92 92 GLN CB C 92 29.132 29.132 30.626 -1.494 25927 522 1 . 1 1 92 92 GLN H H 92 7.988 7.988 8.148 -0.160 25927 523 1 . 1 1 93 93 ILE N N 93 120.499 120.499 122.168 -1.669 25927 524 1 . 1 1 93 93 ILE HA H 93 4.016 4.016 3.760 0.256 25927 525 1 . 1 1 93 93 ILE C C 93 177.002 177.002 176.972 0.030 25927 526 1 . 1 1 93 93 ILE CA C 93 62.861 62.861 64.920 -2.059 25927 527 1 . 1 1 93 93 ILE CB C 93 38.568 38.568 37.426 1.142 25927 528 1 . 1 1 93 93 ILE H H 93 7.976 7.976 7.823 0.153 25927 529 1 . 1 1 94 94 ASN N N 94 120.172 120.172 119.058 1.114 25927 530 1 . 1 1 94 94 ASN HA H 94 4.639 4.639 4.288 0.351 25927 531 1 . 1 1 94 94 ASN C C 94 176.336 176.336 177.664 -1.328 25927 532 1 . 1 1 94 94 ASN CA C 94 54.317 54.317 56.787 -2.470 25927 533 1 . 1 1 94 94 ASN CB C 94 38.600 38.600 38.088 0.512 25927 534 1 . 1 1 94 94 ASN H H 94 8.272 8.272 8.192 0.080 25927 535 1 . 1 1 95 95 GLN N N 95 120.288 120.288 118.800 1.488 25927 536 1 . 1 1 95 95 GLN HA H 95 4.180 4.180 4.093 0.087 25927 537 1 . 1 1 95 95 GLN C C 95 176.701 176.701 177.764 -1.063 25927 538 1 . 1 1 95 95 GLN CA C 95 57.179 57.179 58.547 -1.368 25927 539 1 . 1 1 95 95 GLN CB C 95 28.996 28.996 28.675 0.321 25927 540 1 . 1 1 95 95 GLN H H 95 8.303 8.303 7.766 0.537 25927 541 1 . 1 1 96 96 ALA N N 96 123.219 123.219 122.199 1.020 25927 542 1 . 1 1 96 96 ALA HA H 96 4.261 4.261 4.184 0.077 25927 543 1 . 1 1 96 96 ALA C C 96 178.429 178.429 179.627 -1.198 25927 544 1 . 1 1 96 96 ALA CA C 96 53.432 53.432 54.756 -1.324 25927 545 1 . 1 1 96 96 ALA CB C 96 18.773 18.773 18.716 0.057 25927 546 1 . 1 1 96 96 ALA H H 96 8.112 8.112 7.559 0.553 25927 547 1 . 1 1 97 97 LEU N N 97 119.452 119.452 116.685 2.767 25927 548 1 . 1 1 97 97 LEU HA H 97 4.301 4.301 4.287 0.013 25927 549 1 . 1 1 97 97 LEU C C 97 177.834 177.834 178.473 -0.639 25927 550 1 . 1 1 97 97 LEU CA C 97 55.746 55.746 57.386 -1.640 25927 551 1 . 1 1 97 97 LEU CB C 97 42.290 42.290 41.632 0.658 25927 552 1 . 1 1 97 97 LEU H H 97 7.932 7.932 8.214 -0.282 25927 553 1 . 1 1 98 98 LEU N N 98 121.124 121.124 119.513 1.611 25927 554 1 . 1 1 98 98 LEU HA H 98 4.377 4.377 4.240 0.137 25927 555 1 . 1 1 98 98 LEU C C 98 177.729 177.729 178.152 -0.423 25927 556 1 . 1 1 98 98 LEU CA C 98 55.426 55.426 56.682 -1.255 25927 557 1 . 1 1 98 98 LEU CB C 98 42.406 42.406 42.259 0.147 25927 558 1 . 1 1 98 98 LEU H H 98 7.947 7.947 7.733 0.213 25927 559 1 . 1 1 99 99 SER N N 99 115.913 115.913 112.884 3.029 25927 560 1 . 1 1 99 99 SER HA H 99 4.525 4.525 4.296 0.229 25927 561 1 . 1 1 99 99 SER C C 99 174.980 174.980 174.851 0.129 25927 562 1 . 1 1 99 99 SER CA C 99 58.478 58.478 59.542 -1.063 25927 563 1 . 1 1 99 99 SER CB C 99 63.839 63.839 63.011 0.828 25927 564 1 . 1 1 99 99 SER H H 99 8.238 8.238 8.082 0.156 25927 565 1 . 1 1 100 100 THR N N 100 114.610 114.610 115.022 -0.412 25927 566 1 . 1 1 100 100 THR HA H 100 4.361 4.361 4.327 0.034 25927 567 1 . 1 1 100 100 THR C C 100 175.368 175.368 175.022 0.346 25927 568 1 . 1 1 100 100 THR CA C 100 62.195 62.195 63.236 -1.041 25927 569 1 . 1 1 100 100 THR CB C 100 69.794 69.794 68.895 0.899 25927 570 1 . 1 1 100 100 THR H H 100 8.140 8.140 7.855 0.285 25927 571 1 . 1 1 101 101 GLY N N 101 110.650 110.650 111.196 -0.547 25927 572 1 . 1 1 101 101 GLY C C 101 173.935 173.935 173.985 -0.050 25927 573 1 . 1 1 101 101 GLY CA C 101 45.493 45.493 45.014 0.479 25927 574 1 . 1 1 101 101 GLY H H 101 8.353 8.353 8.115 0.238 25927 575 1 . 1 1 102 102 ASP N N 102 120.512 120.512 119.571 0.941 25927 576 1 . 1 1 102 102 ASP HA H 102 4.603 4.603 4.652 -0.049 25927 577 1 . 1 1 102 102 ASP C C 102 176.419 176.419 176.398 0.021 25927 578 1 . 1 1 102 102 ASP CA C 102 54.291 54.291 54.260 0.031 25927 579 1 . 1 1 102 102 ASP CB C 102 41.277 41.277 42.616 -1.339 25927 580 1 . 1 1 102 102 ASP H H 102 8.204 8.204 7.841 0.363 25927 581 1 . 1 1 103 103 LEU N N 103 122.331 122.331 119.797 2.534 25927 582 1 . 1 1 103 103 LEU HA H 103 4.258 4.258 4.322 -0.065 25927 583 1 . 1 1 103 103 LEU C C 103 177.394 177.394 175.899 1.495 25927 584 1 . 1 1 103 103 LEU CA C 103 55.528 55.528 55.709 -0.181 25927 585 1 . 1 1 103 103 LEU CB C 103 42.228 42.228 42.469 -0.241 25927 586 1 . 1 1 103 103 LEU H H 103 8.170 8.170 8.145 0.025 25927 587 1 . 1 1 104 104 ALA N N 104 123.139 123.139 123.761 -0.622 25927 588 1 . 1 1 104 104 ALA HA H 104 4.200 4.200 4.513 -0.313 25927 589 1 . 1 1 104 104 ALA C C 104 177.730 177.730 176.502 1.228 25927 590 1 . 1 1 104 104 ALA CA C 104 52.774 52.774 51.968 0.806 25927 591 1 . 1 1 104 104 ALA CB C 104 19.005 19.005 19.213 -0.208 25927 592 1 . 1 1 104 104 ALA H H 104 8.150 8.150 8.452 -0.302 25927 593 1 . 1 1 105 105 HIS N N 105 117.105 117.105 118.681 -1.576 25927 594 1 . 1 1 105 105 HIS HA H 105 4.641 4.641 4.617 0.024 25927 595 1 . 1 1 105 105 HIS C C 105 174.414 174.414 174.929 -0.515 25927 596 1 . 1 1 105 105 HIS CA C 105 55.520 55.520 57.032 -1.512 25927 597 1 . 1 1 105 105 HIS CB C 105 29.278 29.278 30.539 -1.261 25927 598 1 . 1 1 105 105 HIS H H 105 8.239 8.239 8.284 -0.045 25927 599 1 . 1 1 106 106 ASP N N 106 121.315 121.315 119.788 1.527 25927 600 1 . 1 1 106 106 ASP HA H 106 4.603 4.603 4.601 0.002 25927 601 1 . 1 1 106 106 ASP C C 106 176.370 176.370 176.058 0.311 25927 602 1 . 1 1 106 106 ASP CA C 106 54.319 54.319 54.272 0.047 25927 603 1 . 1 1 106 106 ASP CB C 106 41.414 41.414 40.323 1.091 25927 604 1 . 1 1 106 106 ASP H H 106 8.298 8.298 8.429 -0.131 25927 605 1 . 1 1 107 107 GLU N N 107 121.228 121.228 119.393 1.835 25927 606 1 . 1 1 107 107 GLU HA H 107 4.108 4.108 4.079 0.029 25927 607 1 . 1 1 107 107 GLU C C 107 176.248 176.248 176.144 0.104 25927 608 1 . 1 1 107 107 GLU CA C 107 57.192 57.192 57.620 -0.428 25927 609 1 . 1 1 107 107 GLU CB C 107 30.095 30.095 29.992 0.102 25927 610 1 . 1 1 107 107 GLU H H 107 8.536 8.536 8.526 0.010 25927 stop_ save_