data_15852_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15852 _Entry.PDB_ID 2K61 _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 1 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 16 . 1 1 1 A 4 4 LEU H H 4 7.778 7.618 0.160 1 1 17 . 1 1 1 A 4 4 LEU C C 4 176.727 175.841 0.886 1 1 18 . 1 1 1 A 4 4 LEU CA C 4 53.378 54.364 -0.986 1 1 19 . 1 1 1 A 4 4 LEU CB C 4 42.681 42.890 -0.209 1 1 20 . 1 1 1 A 4 4 LEU N N 4 121.696 119.736 1.960 1 1 21 . 1 1 1 A 5 5 THR H H 5 8.671 8.463 0.208 1 1 22 . 1 1 1 A 5 5 THR C C 5 174.327 175.980 -1.653 1 1 23 . 1 1 1 A 5 5 THR CA C 5 59.569 60.470 -0.901 1 1 24 . 1 1 1 A 5 5 THR CB C 5 70.237 71.524 -1.287 1 1 25 . 1 1 1 A 5 5 THR N N 5 112.801 116.179 -3.378 1 1 26 . 1 1 1 A 6 6 GLU H H 6 8.742 9.049 -0.307 1 1 27 . 1 1 1 A 6 6 GLU C C 6 178.727 178.883 -0.156 1 1 28 . 1 1 1 A 6 6 GLU CA C 6 59.156 59.821 -0.665 1 1 29 . 1 1 1 A 6 6 GLU CB C 6 28.219 29.208 -0.989 1 1 30 . 1 1 1 A 6 6 GLU N N 6 120.562 121.641 -1.079 1 1 31 . 1 1 1 A 7 7 GLU H H 7 8.604 8.347 0.257 1 1 32 . 1 1 1 A 7 7 GLU C C 7 178.427 179.167 -0.740 1 1 33 . 1 1 1 A 7 7 GLU CA C 7 59.156 59.684 -0.528 1 1 34 . 1 1 1 A 7 7 GLU CB C 7 28.091 29.009 -0.918 1 1 35 . 1 1 1 A 7 7 GLU N N 7 119.507 119.606 -0.099 1 1 36 . 1 1 1 A 8 8 GLN H H 8 7.650 7.274 0.376 1 1 37 . 1 1 1 A 8 8 GLN C C 8 177.327 178.422 -1.095 1 1 38 . 1 1 1 A 8 8 GLN CA C 8 57.735 58.188 -0.453 1 1 39 . 1 1 1 A 8 8 GLN CB C 8 28.133 28.083 0.050 1 1 40 . 1 1 1 A 8 8 GLN N N 8 120.254 118.003 2.251 1 1 41 . 1 1 1 A 9 9 ILE H H 9 8.291 7.822 0.469 1 1 42 . 1 1 1 A 9 9 ILE C C 9 176.927 177.878 -0.951 1 1 43 . 1 1 1 A 9 9 ILE CA C 9 65.500 65.176 0.324 1 1 44 . 1 1 1 A 9 9 ILE CB C 9 36.849 37.713 -0.864 1 1 45 . 1 1 1 A 9 9 ILE N N 9 118.913 121.173 -2.260 1 1 46 . 1 1 1 A 10 10 ALA H H 10 7.966 7.784 0.182 1 1 47 . 1 1 1 A 10 10 ALA C C 10 180.227 179.642 0.585 1 1 48 . 1 1 1 A 10 10 ALA CA C 10 54.604 55.243 -0.639 1 1 49 . 1 1 1 A 10 10 ALA CB C 10 16.841 17.902 -1.061 1 1 50 . 1 1 1 A 10 10 ALA N N 10 120.995 121.400 -0.405 1 1 51 . 1 1 1 A 11 11 GLU H H 11 7.668 7.394 0.274 1 1 52 . 1 1 1 A 11 11 GLU C C 11 179.127 179.152 -0.025 1 1 53 . 1 1 1 A 11 11 GLU CA C 11 58.637 58.238 0.399 1 1 54 . 1 1 1 A 11 11 GLU CB C 11 28.399 29.212 -0.813 1 1 55 . 1 1 1 A 11 11 GLU N N 11 119.633 119.292 0.341 1 1 56 . 1 1 1 A 12 12 PHE H H 12 8.502 7.433 1.069 1 1 57 . 1 1 1 A 12 12 PHE C C 12 178.127 178.078 0.049 1 1 58 . 1 1 1 A 12 12 PHE CA C 12 57.763 60.836 -3.073 1 1 59 . 1 1 1 A 12 12 PHE CB C 12 36.323 38.904 -2.581 1 1 60 . 1 1 1 A 12 12 PHE N N 12 119.166 119.003 0.163 1 1 61 . 1 1 1 A 13 13 LYS H H 13 9.233 8.545 0.688 1 1 62 . 1 1 1 A 13 13 LYS C C 13 178.327 178.693 -0.366 1 1 63 . 1 1 1 A 13 13 LYS CA C 13 59.341 60.275 -0.934 1 1 64 . 1 1 1 A 13 13 LYS CB C 13 31.040 32.371 -1.331 1 1 65 . 1 1 1 A 13 13 LYS N N 13 123.020 121.010 2.010 1 1 66 . 1 1 1 A 14 14 GLU H H 14 7.793 8.332 -0.539 1 1 67 . 1 1 1 A 14 14 GLU C C 14 178.927 179.257 -0.330 1 1 68 . 1 1 1 A 14 14 GLU CA C 14 58.849 59.398 -0.549 1 1 69 . 1 1 1 A 14 14 GLU CB C 14 28.308 29.561 -1.253 1 1 70 . 1 1 1 A 14 14 GLU N N 14 120.474 119.585 0.889 1 1 71 . 1 1 1 A 15 15 ALA H H 15 7.997 7.723 0.274 1 1 72 . 1 1 1 A 15 15 ALA C C 15 177.327 179.711 -2.384 1 1 73 . 1 1 1 A 15 15 ALA CA C 15 54.424 55.292 -0.868 1 1 74 . 1 1 1 A 15 15 ALA CB C 15 17.117 18.561 -1.444 1 1 75 . 1 1 1 A 15 15 ALA N N 15 122.017 122.736 -0.719 1 1 76 . 1 1 1 A 16 16 PHE H H 16 8.765 8.513 0.252 1 1 77 . 1 1 1 A 16 16 PHE C C 16 176.627 177.815 -1.188 1 1 78 . 1 1 1 A 16 16 PHE CA C 16 61.489 62.327 -0.838 1 1 79 . 1 1 1 A 16 16 PHE CB C 16 38.685 39.614 -0.929 1 1 80 . 1 1 1 A 16 16 PHE N N 16 119.132 119.988 -0.856 1 1 81 . 1 1 1 A 17 17 SER H H 17 8.075 8.231 -0.156 1 1 82 . 1 1 1 A 17 17 SER C C 17 173.927 176.297 -2.370 1 1 83 . 1 1 1 A 17 17 SER CA C 17 60.699 62.094 -1.395 1 1 84 . 1 1 1 A 17 17 SER CB C 17 62.353 63.315 -0.962 1 1 85 . 1 1 1 A 17 17 SER N N 17 112.561 115.323 -2.762 1 1 86 . 1 1 1 A 18 18 LEU H H 18 7.323 8.114 -0.791 1 1 87 . 1 1 1 A 18 18 LEU C C 18 176.927 178.594 -1.667 1 1 88 . 1 1 1 A 18 18 LEU CA C 18 56.462 57.523 -1.061 1 1 89 . 1 1 1 A 18 18 LEU CB C 18 40.171 42.228 -2.057 1 1 90 . 1 1 1 A 18 18 LEU N N 18 121.075 122.488 -1.413 1 1 91 . 1 1 1 A 19 19 PHE H H 19 7.002 8.092 -1.090 1 1 92 . 1 1 1 A 19 19 PHE CA C 19 59.270 59.644 -0.374 1 1 93 . 1 1 1 A 19 19 PHE CB C 19 40.480 39.627 0.853 1 1 94 . 1 1 1 A 19 19 PHE N N 19 113.026 115.688 -2.662 1 1 95 . 1 1 1 A 20 20 ASP H H 20 7.992 7.342 0.650 1 1 96 . 1 1 1 A 20 20 ASP C C 20 176.727 175.738 0.989 1 1 97 . 1 1 1 A 20 20 ASP CA C 20 51.758 54.068 -2.310 1 1 98 . 1 1 1 A 20 20 ASP CB C 20 37.911 40.779 -2.868 1 1 99 . 1 1 1 A 20 20 ASP N N 20 117.269 118.591 -1.322 1 1 100 . 1 1 1 A 21 21 LYS H H 21 7.872 8.520 -0.648 1 1 101 . 1 1 1 A 21 21 LYS C C 21 177.527 177.462 0.065 1 1 102 . 1 1 1 A 21 21 LYS CA C 21 57.835 58.495 -0.660 1 1 103 . 1 1 1 A 21 21 LYS CB C 21 31.700 32.785 -1.085 1 1 104 . 1 1 1 A 21 21 LYS N N 21 124.741 124.963 -0.222 1 1 105 . 1 1 1 A 22 22 ASP H H 22 7.875 7.952 -0.077 1 1 106 . 1 1 1 A 22 22 ASP C C 22 176.827 177.287 -0.460 1 1 107 . 1 1 1 A 22 22 ASP CA C 22 51.897 53.143 -1.246 1 1 108 . 1 1 1 A 22 22 ASP CB C 22 38.512 40.534 -2.022 1 1 109 . 1 1 1 A 22 22 ASP N N 22 113.683 114.568 -0.885 1 1 110 . 1 1 1 A 23 23 GLY H H 23 7.636 7.949 -0.313 1 1 111 . 1 1 1 A 23 23 GLY C C 23 174.427 175.147 -0.720 1 1 112 . 1 1 1 A 23 23 GLY CA C 23 46.295 46.767 -0.472 1 1 113 . 1 1 1 A 23 23 GLY N N 23 109.115 109.279 -0.164 1 1 114 . 1 1 1 A 24 24 ASP H H 24 8.317 8.178 0.139 1 1 115 . 1 1 1 A 24 24 ASP C C 24 176.627 177.259 -0.632 1 1 116 . 1 1 1 A 24 24 ASP CA C 24 52.867 53.515 -0.648 1 1 117 . 1 1 1 A 24 24 ASP CB C 24 39.394 40.411 -1.017 1 1 118 . 1 1 1 A 24 24 ASP N N 24 120.452 120.270 0.182 1 1 119 . 1 1 1 A 25 25 GLY H H 25 10.521 8.547 1.974 1 1 120 . 1 1 1 A 25 25 GLY C C 25 173.127 173.766 -0.639 1 1 121 . 1 1 1 A 25 25 GLY CA C 25 44.525 45.319 -0.794 1 1 122 . 1 1 1 A 25 25 GLY N N 25 113.042 110.884 2.158 1 1 123 . 1 1 1 A 26 26 THR H H 26 8.054 7.649 0.405 1 1 124 . 1 1 1 A 26 26 THR C C 26 172.427 173.202 -0.775 1 1 125 . 1 1 1 A 26 26 THR CA C 26 58.557 59.342 -0.785 1 1 126 . 1 1 1 A 26 26 THR CB C 26 71.968 72.537 -0.569 1 1 127 . 1 1 1 A 26 26 THR N N 26 111.235 109.576 1.659 1 1 128 . 1 1 1 A 27 27 ILE H H 27 9.831 8.827 1.004 1 1 129 . 1 1 1 A 27 27 ILE C C 27 175.427 176.428 -1.001 1 1 130 . 1 1 1 A 27 27 ILE CA C 27 59.822 60.125 -0.303 1 1 131 . 1 1 1 A 27 27 ILE CB C 27 38.904 39.754 -0.850 1 1 132 . 1 1 1 A 27 27 ILE N N 27 126.564 122.674 3.890 1 1 133 . 1 1 1 A 28 28 THR H H 28 8.356 8.679 -0.323 1 1 134 . 1 1 1 A 28 28 THR C C 28 176.027 176.520 -0.493 1 1 135 . 1 1 1 A 28 28 THR CA C 28 58.699 59.550 -0.851 1 1 136 . 1 1 1 A 28 28 THR CB C 28 71.562 71.781 -0.219 1 1 137 . 1 1 1 A 28 28 THR N N 28 116.404 120.231 -3.827 1 1 138 . 1 1 1 A 29 29 THR H H 29 9.173 8.946 0.227 1 1 139 . 1 1 1 A 29 29 THR C C 29 176.727 176.884 -0.157 1 1 140 . 1 1 1 A 29 29 THR CA C 29 65.676 66.001 -0.325 1 1 141 . 1 1 1 A 29 29 THR CB C 29 67.101 68.244 -1.143 1 1 142 . 1 1 1 A 29 29 THR N N 29 112.601 113.036 -0.435 1 1 143 . 1 1 1 A 30 30 LYS H H 30 7.584 8.037 -0.453 1 1 144 . 1 1 1 A 30 30 LYS C C 30 179.127 179.310 -0.183 1 1 145 . 1 1 1 A 30 30 LYS CA C 30 58.369 59.345 -0.976 1 1 146 . 1 1 1 A 30 30 LYS CB C 30 31.588 32.134 -0.546 1 1 147 . 1 1 1 A 30 30 LYS N N 30 121.073 121.312 -0.239 1 1 148 . 1 1 1 A 31 31 GLU H H 31 7.621 7.583 0.038 1 1 149 . 1 1 1 A 31 31 GLU C C 31 178.627 179.387 -0.760 1 1 150 . 1 1 1 A 31 31 GLU CA C 31 58.791 59.158 -0.367 1 1 151 . 1 1 1 A 31 31 GLU CB C 31 28.713 29.322 -0.609 1 1 152 . 1 1 1 A 31 31 GLU N N 31 122.237 120.022 2.215 1 1 153 . 1 1 1 A 32 32 LEU H H 32 8.608 8.300 0.308 1 1 154 . 1 1 1 A 32 32 LEU C C 32 178.227 178.964 -0.737 1 1 155 . 1 1 1 A 32 32 LEU CA C 32 57.595 57.928 -0.333 1 1 156 . 1 1 1 A 32 32 LEU CB C 32 42.190 41.869 0.321 1 1 157 . 1 1 1 A 32 32 LEU N N 32 120.194 121.027 -0.833 1 1 158 . 1 1 1 A 33 33 GLY H H 33 8.546 8.225 0.321 1 1 159 . 1 1 1 A 33 33 GLY C C 33 174.227 175.816 -1.589 1 1 160 . 1 1 1 A 33 33 GLY CA C 33 47.393 46.235 1.158 1 1 161 . 1 1 1 A 33 33 GLY N N 33 104.407 106.445 -2.038 1 1 162 . 1 1 1 A 34 34 THR H H 34 8.007 7.830 0.177 1 1 163 . 1 1 1 A 34 34 THR C C 34 176.427 176.716 -0.289 1 1 164 . 1 1 1 A 34 34 THR CA C 34 66.415 66.182 0.233 1 1 165 . 1 1 1 A 34 34 THR CB C 34 68.039 67.995 0.044 1 1 166 . 1 1 1 A 34 34 THR N N 34 117.523 117.449 0.074 1 1 167 . 1 1 1 A 35 35 VAL H H 35 7.433 7.284 0.149 1 1 168 . 1 1 1 A 35 35 VAL C C 35 178.027 178.091 -0.064 1 1 169 . 1 1 1 A 35 35 VAL CA C 35 65.680 66.321 -0.641 1 1 170 . 1 1 1 A 35 35 VAL CB C 35 30.583 31.108 -0.525 1 1 171 . 1 1 1 A 35 35 VAL N N 35 121.336 121.457 -0.121 1 1 172 . 1 1 1 A 36 36 MET H H 36 8.343 7.686 0.657 1 1 173 . 1 1 1 A 36 36 MET C C 36 178.327 178.807 -0.480 1 1 174 . 1 1 1 A 36 36 MET CA C 36 58.870 58.213 0.657 1 1 175 . 1 1 1 A 36 36 MET CB C 36 30.785 31.588 -0.803 1 1 176 . 1 1 1 A 36 36 MET N N 36 117.936 117.364 0.572 1 1 177 . 1 1 1 A 37 37 ARG H H 37 8.518 7.851 0.667 1 1 178 . 1 1 1 A 37 37 ARG C C 37 180.427 178.829 1.598 1 1 179 . 1 1 1 A 37 37 ARG CA C 37 58.083 59.384 -1.301 1 1 180 . 1 1 1 A 37 37 ARG CB C 37 29.234 29.969 -0.735 1 1 181 . 1 1 1 A 37 37 ARG N N 37 117.811 121.407 -3.596 1 1 182 . 1 1 1 A 38 38 SER H H 38 7.840 8.243 -0.403 1 1 183 . 1 1 1 A 38 38 SER C C 38 173.727 175.003 -1.276 1 1 184 . 1 1 1 A 38 38 SER CA C 38 60.849 60.964 -0.115 1 1 185 . 1 1 1 A 38 38 SER CB C 38 62.021 62.912 -0.891 1 1 186 . 1 1 1 A 38 38 SER N N 38 118.522 114.656 3.866 1 1 187 . 1 1 1 A 39 39 LEU H H 39 7.292 7.412 -0.120 1 1 188 . 1 1 1 A 39 39 LEU C C 39 175.927 176.946 -1.019 1 1 189 . 1 1 1 A 39 39 LEU CA C 39 53.041 54.629 -1.588 1 1 190 . 1 1 1 A 39 39 LEU CB C 39 40.196 42.173 -1.977 1 1 191 . 1 1 1 A 39 39 LEU N N 39 119.833 120.096 -0.263 1 1 192 . 1 1 1 A 40 40 GLY H H 40 7.638 7.627 0.011 1 1 193 . 1 1 1 A 40 40 GLY C C 40 173.627 173.896 -0.269 1 1 194 . 1 1 1 A 40 40 GLY CA C 40 44.903 45.635 -0.732 1 1 195 . 1 1 1 A 40 40 GLY N N 40 105.424 106.887 -1.463 1 1 196 . 1 1 1 A 41 41 GLN H H 41 7.825 7.533 0.292 1 1 197 . 1 1 1 A 41 41 GLN C C 41 173.427 174.935 -1.508 1 1 198 . 1 1 1 A 41 41 GLN CA C 41 53.454 54.310 -0.856 1 1 199 . 1 1 1 A 41 41 GLN CB C 41 29.453 30.711 -1.258 1 1 200 . 1 1 1 A 41 41 GLN N N 41 118.169 119.463 -1.294 1 1 201 . 1 1 1 A 42 42 ASN H H 42 8.708 8.921 -0.213 1 1 202 . 1 1 1 A 42 42 ASN CA C 42 50.529 50.445 0.084 1 1 203 . 1 1 1 A 42 42 ASN CB C 42 38.363 39.244 -0.881 1 1 204 . 1 1 1 A 42 42 ASN N N 42 116.192 121.507 -5.315 1 1 205 . 1 1 1 A 43 43 PRO C C 43 177.015 176.816 0.199 1 1 206 . 1 1 1 A 44 44 THR H H 44 8.781 8.000 0.781 1 1 207 . 1 1 1 A 44 44 THR C C 44 174.627 175.509 -0.882 1 1 208 . 1 1 1 A 44 44 THR CA C 44 59.569 60.455 -0.886 1 1 209 . 1 1 1 A 44 44 THR CB C 44 70.247 71.682 -1.435 1 1 210 . 1 1 1 A 44 44 THR N N 44 113.362 112.844 0.518 1 1 211 . 1 1 1 A 45 45 GLU H H 45 8.969 9.032 -0.063 1 1 212 . 1 1 1 A 45 45 GLU C C 45 178.227 177.989 0.238 1 1 213 . 1 1 1 A 45 45 GLU CA C 45 59.089 59.719 -0.630 1 1 214 . 1 1 1 A 45 45 GLU CB C 45 27.960 29.549 -1.589 1 1 215 . 1 1 1 A 45 45 GLU N N 45 120.454 121.995 -1.541 1 1 216 . 1 1 1 A 46 46 ALA H H 46 8.217 8.327 -0.110 1 1 217 . 1 1 1 A 46 46 ALA C C 46 179.427 179.896 -0.469 1 1 218 . 1 1 1 A 46 46 ALA CA C 46 54.098 54.867 -0.769 1 1 219 . 1 1 1 A 46 46 ALA CB C 46 17.117 18.238 -1.121 1 1 220 . 1 1 1 A 46 46 ALA N N 46 120.735 121.552 -0.817 1 1 221 . 1 1 1 A 47 47 GLU H H 47 7.652 7.568 0.084 1 1 222 . 1 1 1 A 47 47 GLU CA C 47 58.220 59.479 -1.259 1 1 223 . 1 1 1 A 47 47 GLU CB C 47 28.729 30.439 -1.710 1 1 224 . 1 1 1 A 47 47 GLU N N 47 118.571 118.221 0.350 1 1 225 . 1 1 1 A 49 49 GLN H H 49 8.122 7.947 0.175 1 1 226 . 1 1 1 A 49 49 GLN C C 49 177.727 178.053 -0.326 1 1 227 . 1 1 1 A 49 49 GLN CA C 49 57.763 59.192 -1.429 1 1 228 . 1 1 1 A 49 49 GLN CB C 49 27.153 28.570 -1.417 1 1 229 . 1 1 1 A 49 49 GLN N N 49 118.210 119.882 -1.672 1 1 230 . 1 1 1 A 50 50 ASP H H 50 8.064 7.798 0.266 1 1 231 . 1 1 1 A 50 50 ASP C C 50 177.927 179.118 -1.191 1 1 232 . 1 1 1 A 50 50 ASP CA C 50 56.813 57.434 -0.621 1 1 233 . 1 1 1 A 50 50 ASP CB C 50 39.384 40.024 -0.640 1 1 234 . 1 1 1 A 50 50 ASP N N 50 119.941 119.937 0.004 1 1 235 . 1 1 1 A 51 51 MET H H 51 7.786 7.883 -0.097 1 1 236 . 1 1 1 A 51 51 MET C C 51 176.227 179.173 -2.946 1 1 237 . 1 1 1 A 51 51 MET CA C 51 58.470 58.748 -0.278 1 1 238 . 1 1 1 A 51 51 MET CB C 51 32.305 32.537 -0.232 1 1 239 . 1 1 1 A 51 51 MET N N 51 119.331 118.689 0.642 1 1 240 . 1 1 1 A 52 52 ILE H H 52 7.544 7.604 -0.060 1 1 241 . 1 1 1 A 52 52 ILE C C 52 177.127 177.746 -0.619 1 1 242 . 1 1 1 A 52 52 ILE CA C 52 63.996 64.762 -0.766 1 1 243 . 1 1 1 A 52 52 ILE CB C 52 36.215 36.513 -0.298 1 1 244 . 1 1 1 A 52 52 ILE N N 52 117.492 120.417 -2.925 1 1 245 . 1 1 1 A 53 53 ASN H H 53 8.546 8.142 0.404 1 1 246 . 1 1 1 A 53 53 ASN C C 53 176.427 178.419 -1.992 1 1 247 . 1 1 1 A 53 53 ASN CA C 53 55.050 56.615 -1.565 1 1 248 . 1 1 1 A 53 53 ASN CB C 53 37.348 37.955 -0.607 1 1 249 . 1 1 1 A 53 53 ASN N N 53 117.770 119.839 -2.069 1 1 250 . 1 1 1 A 54 54 GLU H H 54 7.448 8.166 -0.718 1 1 251 . 1 1 1 A 54 54 GLU C C 54 176.627 178.282 -1.655 1 1 252 . 1 1 1 A 54 54 GLU CA C 54 57.984 59.447 -1.463 1 1 253 . 1 1 1 A 54 54 GLU CB C 54 29.351 29.650 -0.299 1 1 254 . 1 1 1 A 54 54 GLU N N 54 116.307 120.381 -4.074 1 1 255 . 1 1 1 A 55 55 VAL H H 55 7.118 6.872 0.246 1 1 256 . 1 1 1 A 55 55 VAL C C 55 174.927 175.401 -0.474 1 1 257 . 1 1 1 A 55 55 VAL CA C 55 60.110 61.022 -0.912 1 1 258 . 1 1 1 A 55 55 VAL CB C 55 31.900 32.913 -1.013 1 1 259 . 1 1 1 A 55 55 VAL N N 55 109.685 108.514 1.171 1 1 260 . 1 1 1 A 56 56 ASP H H 56 7.699 7.642 0.057 1 1 261 . 1 1 1 A 56 56 ASP C C 56 175.027 176.528 -1.501 1 1 262 . 1 1 1 A 56 56 ASP CA C 56 53.305 53.686 -0.381 1 1 263 . 1 1 1 A 56 56 ASP CB C 56 39.513 40.924 -1.411 1 1 264 . 1 1 1 A 56 56 ASP N N 56 121.135 123.381 -2.246 1 1 265 . 1 1 1 A 57 57 ALA H H 57 8.499 8.467 0.032 1 1 266 . 1 1 1 A 57 57 ALA C C 57 178.027 177.474 0.553 1 1 267 . 1 1 1 A 57 57 ALA CA C 57 53.145 51.241 1.904 1 1 268 . 1 1 1 A 57 57 ALA CB C 57 18.757 20.326 -1.569 1 1 269 . 1 1 1 A 57 57 ALA N N 57 132.053 128.256 3.797 1 1 270 . 1 1 1 A 58 58 ASP H H 58 8.266 7.810 0.456 1 1 271 . 1 1 1 A 58 58 ASP C C 58 177.127 176.859 0.268 1 1 272 . 1 1 1 A 58 58 ASP CA C 58 52.010 54.057 -2.047 1 1 273 . 1 1 1 A 58 58 ASP CB C 58 38.912 41.589 -2.677 1 1 274 . 1 1 1 A 58 58 ASP N N 58 114.369 117.080 -2.711 1 1 275 . 1 1 1 A 59 59 GLY H H 59 7.542 8.009 -0.467 1 1 276 . 1 1 1 A 59 59 GLY C C 59 174.227 174.775 -0.548 1 1 277 . 1 1 1 A 59 59 GLY CA C 59 46.379 46.428 -0.049 1 1 278 . 1 1 1 A 59 59 GLY N N 59 109.155 107.550 1.605 1 1 279 . 1 1 1 A 60 60 ASP H H 60 8.277 7.489 0.788 1 1 280 . 1 1 1 A 60 60 ASP C C 60 176.627 177.440 -0.813 1 1 281 . 1 1 1 A 60 60 ASP CA C 60 53.069 53.303 -0.234 1 1 282 . 1 1 1 A 60 60 ASP CB C 60 39.733 42.053 -2.320 1 1 283 . 1 1 1 A 60 60 ASP N N 60 120.771 119.753 1.018 1 1 284 . 1 1 1 A 61 61 GLY H H 61 10.332 8.288 2.044 1 1 285 . 1 1 1 A 61 61 GLY C C 61 172.627 173.621 -0.994 1 1 286 . 1 1 1 A 61 61 GLY CA C 61 44.754 45.821 -1.067 1 1 287 . 1 1 1 A 61 61 GLY N N 61 112.846 110.129 2.717 1 1 288 . 1 1 1 A 62 62 THR H H 62 8.185 7.531 0.654 1 1 289 . 1 1 1 A 62 62 THR C C 62 172.727 173.196 -0.469 1 1 290 . 1 1 1 A 62 62 THR CA C 62 59.172 59.413 -0.241 1 1 291 . 1 1 1 A 62 62 THR CB C 62 71.365 72.736 -1.371 1 1 292 . 1 1 1 A 62 62 THR N N 62 111.279 109.419 1.860 1 1 293 . 1 1 1 A 63 63 ILE H H 63 8.797 8.612 0.185 1 1 294 . 1 1 1 A 63 63 ILE C C 63 174.927 175.219 -0.292 1 1 295 . 1 1 1 A 63 63 ILE CA C 63 59.130 60.521 -1.391 1 1 296 . 1 1 1 A 63 63 ILE CB C 63 39.508 39.213 0.295 1 1 297 . 1 1 1 A 63 63 ILE N N 63 122.297 121.186 1.111 1 1 298 . 1 1 1 A 64 64 ASP H H 64 8.865 8.892 -0.027 1 1 299 . 1 1 1 A 64 64 ASP C C 64 175.527 177.670 -2.143 1 1 300 . 1 1 1 A 64 64 ASP CA C 64 51.195 53.940 -2.745 1 1 301 . 1 1 1 A 64 64 ASP CB C 64 40.309 42.120 -1.811 1 1 302 . 1 1 1 A 64 64 ASP N N 64 128.962 127.971 0.991 1 1 303 . 1 1 1 A 65 65 PHE H H 65 8.797 8.986 -0.189 1 1 304 . 1 1 1 A 65 65 PHE CA C 65 62.664 62.751 -0.087 1 1 305 . 1 1 1 A 65 65 PHE N N 65 117.790 122.408 -4.618 1 1 306 . 1 1 1 A 66 66 PRO C C 66 179.460 178.878 0.582 1 1 307 . 1 1 1 A 67 67 GLU H H 67 8.269 8.470 -0.201 1 1 308 . 1 1 1 A 67 67 GLU C C 67 178.327 179.050 -0.723 1 1 309 . 1 1 1 A 67 67 GLU CA C 67 58.175 59.193 -1.018 1 1 310 . 1 1 1 A 67 67 GLU CB C 67 28.394 29.227 -0.833 1 1 311 . 1 1 1 A 67 67 GLU N N 67 118.351 117.972 0.379 1 1 312 . 1 1 1 A 68 68 PHE H H 68 8.985 8.175 0.810 1 1 313 . 1 1 1 A 68 68 PHE C C 68 176.327 176.974 -0.647 1 1 314 . 1 1 1 A 68 68 PHE CA C 68 60.754 61.289 -0.535 1 1 315 . 1 1 1 A 68 68 PHE CB C 68 39.321 39.207 0.114 1 1 316 . 1 1 1 A 68 68 PHE N N 68 123.720 122.586 1.134 1 1 317 . 1 1 1 A 69 69 LEU H H 69 8.654 8.022 0.632 1 1 318 . 1 1 1 A 69 69 LEU C C 69 178.227 178.822 -0.595 1 1 319 . 1 1 1 A 69 69 LEU CA C 69 57.114 57.856 -0.742 1 1 320 . 1 1 1 A 69 69 LEU CB C 69 40.314 41.324 -1.010 1 1 321 . 1 1 1 A 69 69 LEU N N 69 119.271 119.331 -0.060 1 1 322 . 1 1 1 A 70 70 THR H H 70 7.621 7.655 -0.034 1 1 323 . 1 1 1 A 70 70 THR C C 70 175.327 176.006 -0.679 1 1 324 . 1 1 1 A 70 70 THR CA C 70 66.038 66.131 -0.093 1 1 325 . 1 1 1 A 70 70 THR CB C 70 67.714 68.424 -0.710 1 1 326 . 1 1 1 A 70 70 THR N N 70 115.766 115.299 0.467 1 1 327 . 1 1 1 A 71 71 MET H H 71 7.605 7.679 -0.074 1 1 328 . 1 1 1 A 71 71 MET C C 71 176.927 178.026 -1.099 1 1 329 . 1 1 1 A 71 71 MET CA C 71 57.853 58.370 -0.517 1 1 330 . 1 1 1 A 71 71 MET CB C 71 31.367 32.255 -0.888 1 1 331 . 1 1 1 A 71 71 MET N N 71 121.364 119.834 1.530 1 1 332 . 1 1 1 A 72 72 MET H H 72 8.232 8.240 -0.008 1 1 333 . 1 1 1 A 72 72 MET C C 72 178.127 177.813 0.314 1 1 334 . 1 1 1 A 72 72 MET CA C 72 55.618 57.202 -1.584 1 1 335 . 1 1 1 A 72 72 MET CB C 72 30.867 30.605 0.262 1 1 336 . 1 1 1 A 72 72 MET N N 72 117.128 117.321 -0.193 1 1 337 . 1 1 1 A 73 73 ALA H H 73 8.170 7.007 1.163 1 1 338 . 1 1 1 A 73 73 ALA C C 73 178.927 178.887 0.040 1 1 339 . 1 1 1 A 73 73 ALA CA C 73 53.933 54.536 -0.603 1 1 340 . 1 1 1 A 73 73 ALA CB C 73 17.053 18.268 -1.215 1 1 341 . 1 1 1 A 73 73 ALA N N 73 121.275 120.997 0.278 1 1 342 . 1 1 1 A 74 74 ARG H H 74 7.419 7.440 -0.021 1 1 343 . 1 1 1 A 74 74 ARG C C 74 177.527 176.634 0.893 1 1 344 . 1 1 1 A 74 74 ARG CA C 74 57.733 57.370 0.363 1 1 345 . 1 1 1 A 74 74 ARG CB C 74 29.606 29.999 -0.393 1 1 346 . 1 1 1 A 74 74 ARG N N 74 115.593 115.544 0.049 1 1 347 . 1 1 1 A 75 75 LYS H H 75 7.703 7.109 0.594 1 1 348 . 1 1 1 A 75 75 LYS C C 75 177.927 176.661 1.266 1 1 349 . 1 1 1 A 75 75 LYS CA C 75 55.111 57.168 -2.057 1 1 350 . 1 1 1 A 75 75 LYS CB C 75 31.805 34.158 -2.353 1 1 351 . 1 1 1 A 75 75 LYS N N 75 116.198 116.554 -0.356 1 1 352 . 1 1 1 A 76 76 MET H H 76 7.558 7.695 -0.137 1 1 353 . 1 1 1 A 76 76 MET C C 76 175.327 175.950 -0.623 1 1 354 . 1 1 1 A 76 76 MET CA C 76 55.766 53.772 1.994 1 1 355 . 1 1 1 A 76 76 MET CB C 76 31.519 32.288 -0.769 1 1 356 . 1 1 1 A 76 76 MET N N 76 117.629 118.885 -1.256 1 1 357 . 1 1 1 A 77 77 LYS H H 77 7.584 8.769 -1.185 1 1 358 . 1 1 1 A 77 77 LYS CA C 77 55.916 55.190 0.726 1 1 359 . 1 1 1 A 77 77 LYS CB C 77 32.740 32.776 -0.036 1 1 360 . 1 1 1 A 77 77 LYS N N 77 120.158 124.311 -4.153 1 1 361 . 1 1 1 A 79 79 THR H H 79 7.762 8.530 -0.768 1 1 362 . 1 1 1 A 79 79 THR C C 79 172.827 173.481 -0.654 1 1 363 . 1 1 1 A 79 79 THR CA C 79 60.924 62.968 -2.044 1 1 364 . 1 1 1 A 79 79 THR CB C 79 69.483 68.534 0.949 1 1 365 . 1 1 1 A 79 79 THR N N 79 113.623 116.954 -3.331 1 1 366 . 1 1 1 A 80 80 ASP H H 80 8.436 8.525 -0.089 1 1 367 . 1 1 1 A 80 80 ASP C C 80 175.327 175.732 -0.405 1 1 368 . 1 1 1 A 80 80 ASP CA C 80 52.926 53.575 -0.649 1 1 369 . 1 1 1 A 80 80 ASP CB C 80 41.032 42.155 -1.123 1 1 370 . 1 1 1 A 80 80 ASP N N 80 123.780 127.446 -3.666 1 1 371 . 1 1 1 A 81 81 SER H H 81 8.766 8.699 0.067 1 1 372 . 1 1 1 A 81 81 SER C C 81 174.727 175.407 -0.680 1 1 373 . 1 1 1 A 81 81 SER CA C 81 58.642 57.082 1.560 1 1 374 . 1 1 1 A 81 81 SER CB C 81 63.388 65.541 -2.153 1 1 375 . 1 1 1 A 81 81 SER N N 81 119.364 114.034 5.330 1 1 376 . 1 1 1 A 82 82 GLU H H 82 8.546 9.040 -0.494 1 1 377 . 1 1 1 A 82 82 GLU C C 82 177.927 178.351 -0.424 1 1 378 . 1 1 1 A 82 82 GLU CA C 82 58.944 59.689 -0.745 1 1 379 . 1 1 1 A 82 82 GLU CB C 82 28.421 29.254 -0.833 1 1 380 . 1 1 1 A 82 82 GLU N N 82 122.157 123.462 -1.305 1 1 381 . 1 1 1 A 83 83 GLU H H 83 8.185 8.526 -0.341 1 1 382 . 1 1 1 A 83 83 GLU C C 83 178.027 179.367 -1.340 1 1 383 . 1 1 1 A 83 83 GLU CA C 83 58.519 59.213 -0.694 1 1 384 . 1 1 1 A 83 83 GLU CB C 83 28.367 29.425 -1.058 1 1 385 . 1 1 1 A 83 83 GLU N N 83 119.232 119.281 -0.049 1 1 386 . 1 1 1 A 84 84 GLU H H 84 7.891 8.053 -0.162 1 1 387 . 1 1 1 A 84 84 GLU C C 84 179.327 179.257 0.070 1 1 388 . 1 1 1 A 84 84 GLU CA C 84 58.734 59.547 -0.813 1 1 389 . 1 1 1 A 84 84 GLU CB C 84 28.520 29.140 -0.620 1 1 390 . 1 1 1 A 84 84 GLU N N 84 118.462 118.494 -0.032 1 1 391 . 1 1 1 A 85 85 ILE H H 85 8.091 8.000 0.091 1 1 392 . 1 1 1 A 85 85 ILE C C 85 177.127 178.451 -1.324 1 1 393 . 1 1 1 A 85 85 ILE CA C 85 64.797 65.662 -0.865 1 1 394 . 1 1 1 A 85 85 ILE CB C 85 36.341 37.538 -1.197 1 1 395 . 1 1 1 A 85 85 ILE N N 85 121.736 121.347 0.389 1 1 396 . 1 1 1 A 86 86 ARG H H 86 8.232 7.810 0.422 1 1 397 . 1 1 1 A 86 86 ARG C C 86 177.527 178.815 -1.288 1 1 398 . 1 1 1 A 86 86 ARG CA C 86 59.492 59.711 -0.219 1 1 399 . 1 1 1 A 86 86 ARG CB C 86 29.034 29.722 -0.688 1 1 400 . 1 1 1 A 86 86 ARG N N 86 121.784 121.618 0.166 1 1 401 . 1 1 1 A 87 87 GLU H H 87 8.267 8.548 -0.281 1 1 402 . 1 1 1 A 87 87 GLU C C 87 178.727 178.816 -0.089 1 1 403 . 1 1 1 A 87 87 GLU CA C 87 58.013 59.303 -1.290 1 1 404 . 1 1 1 A 87 87 GLU CB C 87 28.288 29.713 -1.425 1 1 405 . 1 1 1 A 87 87 GLU N N 87 117.943 119.352 -1.409 1 1 406 . 1 1 1 A 88 88 ALA H H 88 8.138 7.812 0.326 1 1 407 . 1 1 1 A 88 88 ALA C C 88 178.627 180.384 -1.757 1 1 408 . 1 1 1 A 88 88 ALA CA C 88 54.568 54.795 -0.227 1 1 409 . 1 1 1 A 88 88 ALA CB C 88 17.643 18.459 -0.816 1 1 410 . 1 1 1 A 88 88 ALA N N 88 122.297 122.698 -0.401 1 1 411 . 1 1 1 A 89 89 PHE H H 89 8.560 7.804 0.756 1 1 412 . 1 1 1 A 89 89 PHE C C 89 176.127 177.180 -1.053 1 1 413 . 1 1 1 A 89 89 PHE CA C 89 61.705 61.564 0.141 1 1 414 . 1 1 1 A 89 89 PHE CB C 89 37.910 38.672 -0.762 1 1 415 . 1 1 1 A 89 89 PHE N N 89 119.065 119.660 -0.595 1 1 416 . 1 1 1 A 90 90 ARG H H 90 7.590 7.556 0.034 1 1 417 . 1 1 1 A 90 90 ARG C C 90 176.827 178.214 -1.387 1 1 418 . 1 1 1 A 90 90 ARG CA C 90 58.054 58.271 -0.217 1 1 419 . 1 1 1 A 90 90 ARG CB C 90 29.432 29.958 -0.526 1 1 420 . 1 1 1 A 90 90 ARG N N 90 115.321 117.656 -2.335 1 1 421 . 1 1 1 A 91 91 VAL H H 91 7.292 7.303 -0.011 1 1 422 . 1 1 1 A 91 91 VAL C C 91 175.927 177.721 -1.794 1 1 423 . 1 1 1 A 91 91 VAL CA C 91 64.871 65.647 -0.776 1 1 424 . 1 1 1 A 91 91 VAL CB C 91 30.322 31.571 -1.249 1 1 425 . 1 1 1 A 91 91 VAL N N 91 117.850 119.415 -1.565 1 1 426 . 1 1 1 A 92 92 PHE H H 92 6.975 7.138 -0.163 1 1 427 . 1 1 1 A 92 92 PHE C C 92 175.927 175.977 -0.050 1 1 428 . 1 1 1 A 92 92 PHE CA C 92 59.842 61.276 -1.434 1 1 429 . 1 1 1 A 92 92 PHE CB C 92 40.466 39.194 1.272 1 1 430 . 1 1 1 A 92 92 PHE N N 92 113.572 117.709 -4.137 1 1 431 . 1 1 1 A 93 93 ASP H H 93 7.856 7.302 0.554 1 1 432 . 1 1 1 A 93 93 ASP C C 93 176.827 176.634 0.193 1 1 433 . 1 1 1 A 93 93 ASP CA C 93 51.250 52.534 -1.284 1 1 434 . 1 1 1 A 93 93 ASP CB C 93 37.585 39.862 -2.277 1 1 435 . 1 1 1 A 93 93 ASP N N 93 116.287 119.165 -2.878 1 1 436 . 1 1 1 A 94 94 LYS H H 94 7.731 8.391 -0.660 1 1 437 . 1 1 1 A 94 94 LYS C C 94 177.527 177.124 0.403 1 1 438 . 1 1 1 A 94 94 LYS CA C 94 58.155 57.648 0.507 1 1 439 . 1 1 1 A 94 94 LYS CB C 94 31.582 32.069 -0.487 1 1 440 . 1 1 1 A 94 94 LYS N N 94 125.623 125.127 0.496 1 1 441 . 1 1 1 A 95 95 ASP H H 95 8.154 7.895 0.259 1 1 442 . 1 1 1 A 95 95 ASP C C 95 176.927 176.711 0.216 1 1 443 . 1 1 1 A 95 95 ASP CA C 95 52.179 53.988 -1.809 1 1 444 . 1 1 1 A 95 95 ASP CB C 95 38.576 41.592 -3.016 1 1 445 . 1 1 1 A 95 95 ASP N N 95 114.063 117.211 -3.148 1 1 446 . 1 1 1 A 96 96 GLY H H 96 7.762 8.020 -0.258 1 1 447 . 1 1 1 A 96 96 GLY C C 96 174.327 175.321 -0.994 1 1 448 . 1 1 1 A 96 96 GLY CA C 96 46.238 47.112 -0.874 1 1 449 . 1 1 1 A 96 96 GLY N N 96 109.195 107.958 1.237 1 1 450 . 1 1 1 A 97 97 ASN H H 97 8.311 8.121 0.190 1 1 451 . 1 1 1 A 97 97 ASN C C 97 175.327 176.466 -1.139 1 1 452 . 1 1 1 A 97 97 ASN CA C 97 51.726 52.516 -0.790 1 1 453 . 1 1 1 A 97 97 ASN CB C 97 37.122 38.292 -1.170 1 1 454 . 1 1 1 A 97 97 ASN N N 97 119.619 118.435 1.184 1 1 455 . 1 1 1 A 98 98 GLY H H 98 10.647 8.872 1.775 1 1 456 . 1 1 1 A 98 98 GLY C C 98 172.027 173.293 -1.266 1 1 457 . 1 1 1 A 98 98 GLY CA C 98 44.077 45.259 -1.182 1 1 458 . 1 1 1 A 98 98 GLY N N 98 112.821 110.961 1.860 1 1 459 . 1 1 1 A 99 99 TYR H H 99 7.652 7.754 -0.102 1 1 460 . 1 1 1 A 99 99 TYR C C 99 173.927 174.856 -0.929 1 1 461 . 1 1 1 A 99 99 TYR CA C 99 55.364 56.838 -1.474 1 1 462 . 1 1 1 A 99 99 TYR CB C 99 41.846 41.903 -0.057 1 1 463 . 1 1 1 A 99 99 TYR N N 99 116.207 117.976 -1.769 1 1 464 . 1 1 1 A 100 100 ILE H H 100 10.113 9.109 1.004 1 1 465 . 1 1 1 A 100 100 ILE C C 100 174.627 176.263 -1.636 1 1 466 . 1 1 1 A 100 100 ILE CA C 100 60.494 60.648 -0.154 1 1 467 . 1 1 1 A 100 100 ILE CB C 100 38.400 39.241 -0.841 1 1 468 . 1 1 1 A 100 100 ILE N N 100 127.346 124.819 2.527 1 1 469 . 1 1 1 A 101 101 SER H H 101 8.940 8.998 -0.058 1 1 470 . 1 1 1 A 101 101 SER C C 101 174.427 175.607 -1.180 1 1 471 . 1 1 1 A 101 101 SER CA C 101 54.898 56.459 -1.561 1 1 472 . 1 1 1 A 101 101 SER CB C 101 66.143 66.194 -0.051 1 1 473 . 1 1 1 A 101 101 SER N N 101 123.763 123.335 0.428 1 1 474 . 1 1 1 A 102 102 ALA H H 102 9.206 9.033 0.173 1 1 475 . 1 1 1 A 102 102 ALA C C 102 178.427 179.724 -1.297 1 1 476 . 1 1 1 A 102 102 ALA CA C 102 55.057 55.924 -0.867 1 1 477 . 1 1 1 A 102 102 ALA CB C 102 16.975 17.829 -0.854 1 1 478 . 1 1 1 A 102 102 ALA N N 102 122.975 123.512 -0.537 1 1 479 . 1 1 1 A 103 103 ALA H H 103 8.187 8.155 0.032 1 1 480 . 1 1 1 A 103 103 ALA C C 103 180.727 180.332 0.395 1 1 481 . 1 1 1 A 103 103 ALA CA C 103 54.325 55.371 -1.046 1 1 482 . 1 1 1 A 103 103 ALA CB C 103 17.321 18.388 -1.067 1 1 483 . 1 1 1 A 103 103 ALA N N 103 118.349 119.560 -1.211 1 1 484 . 1 1 1 A 104 104 GLU H H 104 7.856 7.615 0.241 1 1 485 . 1 1 1 A 104 104 GLU C C 104 178.427 179.277 -0.850 1 1 486 . 1 1 1 A 104 104 GLU CA C 104 58.585 59.590 -1.005 1 1 487 . 1 1 1 A 104 104 GLU CB C 104 28.089 29.485 -1.396 1 1 488 . 1 1 1 A 104 104 GLU N N 104 120.628 118.127 2.501 1 1 489 . 1 1 1 A 105 105 LEU H H 105 8.430 8.063 0.367 1 1 490 . 1 1 1 A 105 105 LEU C C 105 177.527 178.465 -0.938 1 1 491 . 1 1 1 A 105 105 LEU CA C 105 57.879 58.000 -0.121 1 1 492 . 1 1 1 A 105 105 LEU CB C 105 40.931 41.479 -0.548 1 1 493 . 1 1 1 A 105 105 LEU N N 105 120.955 121.205 -0.250 1 1 494 . 1 1 1 A 106 106 ARG H H 106 8.656 8.317 0.339 1 1 495 . 1 1 1 A 106 106 ARG C C 106 177.927 178.806 -0.879 1 1 496 . 1 1 1 A 106 106 ARG CA C 106 59.270 59.471 -0.201 1 1 497 . 1 1 1 A 106 106 ARG CB C 106 29.366 29.778 -0.412 1 1 498 . 1 1 1 A 106 106 ARG N N 106 117.850 118.964 -1.114 1 1 499 . 1 1 1 A 107 107 HIS H H 107 7.948 7.942 0.006 1 1 500 . 1 1 1 A 107 107 HIS C C 107 176.927 177.277 -0.350 1 1 501 . 1 1 1 A 107 107 HIS CA C 107 59.375 59.846 -0.471 1 1 502 . 1 1 1 A 107 107 HIS CB C 107 29.788 30.836 -1.048 1 1 503 . 1 1 1 A 107 107 HIS N N 107 119.760 119.753 0.007 1 1 504 . 1 1 1 A 108 108 VAL H H 108 7.880 8.182 -0.302 1 1 505 . 1 1 1 A 108 108 VAL C C 108 177.527 178.139 -0.612 1 1 506 . 1 1 1 A 108 108 VAL CA C 108 66.028 66.298 -0.270 1 1 507 . 1 1 1 A 108 108 VAL CB C 108 30.626 31.422 -0.796 1 1 508 . 1 1 1 A 108 108 VAL N N 108 118.548 119.039 -0.491 1 1 509 . 1 1 1 A 109 109 MET H H 109 8.342 8.068 0.274 1 1 510 . 1 1 1 A 109 109 MET C C 109 178.527 178.947 -0.420 1 1 511 . 1 1 1 A 109 109 MET CA C 109 56.413 58.508 -2.095 1 1 512 . 1 1 1 A 109 109 MET CB C 109 28.724 33.579 -4.855 1 1 513 . 1 1 1 A 109 109 MET N N 109 115.386 117.894 -2.508 1 1 514 . 1 1 1 A 110 110 THR H H 110 8.238 7.920 0.318 1 1 515 . 1 1 1 A 110 110 THR C C 110 177.627 175.912 1.715 1 1 516 . 1 1 1 A 110 110 THR CA C 110 65.796 66.529 -0.733 1 1 517 . 1 1 1 A 110 110 THR CB C 110 67.720 68.201 -0.481 1 1 518 . 1 1 1 A 110 110 THR N N 110 116.118 115.619 0.499 1 1 519 . 1 1 1 A 111 111 ASN H H 111 7.634 8.030 -0.396 1 1 520 . 1 1 1 A 111 111 ASN C C 111 175.627 177.747 -2.120 1 1 521 . 1 1 1 A 111 111 ASN CA C 111 55.016 56.427 -1.411 1 1 522 . 1 1 1 A 111 111 ASN CB C 111 36.858 38.352 -1.494 1 1 523 . 1 1 1 A 111 111 ASN N N 111 122.999 119.066 3.933 1 1 524 . 1 1 1 A 112 112 LEU H H 112 7.699 7.546 0.153 1 1 525 . 1 1 1 A 112 112 LEU C C 112 175.527 176.906 -1.379 1 1 526 . 1 1 1 A 112 112 LEU CA C 112 54.282 55.754 -1.472 1 1 527 . 1 1 1 A 112 112 LEU CB C 112 40.950 42.624 -1.674 1 1 528 . 1 1 1 A 112 112 LEU N N 112 118.952 116.861 2.091 1 1 529 . 1 1 1 A 113 113 GLY H H 113 7.602 7.506 0.096 1 1 530 . 1 1 1 A 113 113 GLY C C 113 173.627 174.080 -0.453 1 1 531 . 1 1 1 A 113 113 GLY CA C 113 44.279 44.862 -0.583 1 1 532 . 1 1 1 A 113 113 GLY N N 113 105.566 105.483 0.083 1 1 533 . 1 1 1 A 114 114 GLU H H 114 7.934 7.881 0.053 1 1 534 . 1 1 1 A 114 114 GLU C C 114 174.327 175.356 -1.029 1 1 535 . 1 1 1 A 114 114 GLU CA C 114 54.117 55.408 -1.291 1 1 536 . 1 1 1 A 114 114 GLU CB C 114 29.685 30.892 -1.207 1 1 537 . 1 1 1 A 114 114 GLU N N 114 120.294 121.699 -1.405 1 1 538 . 1 1 1 A 115 115 LYS H H 115 8.568 8.910 -0.342 1 1 539 . 1 1 1 A 115 115 LYS C C 115 174.627 176.264 -1.637 1 1 540 . 1 1 1 A 115 115 LYS CA C 115 54.568 56.258 -1.690 1 1 541 . 1 1 1 A 115 115 LYS CB C 115 30.837 33.001 -2.164 1 1 542 . 1 1 1 A 115 115 LYS N N 115 125.563 128.343 -2.780 1 1 543 . 1 1 1 A 116 116 LEU H H 116 7.966 8.804 -0.838 1 1 544 . 1 1 1 A 116 116 LEU C C 116 177.527 175.915 1.612 1 1 545 . 1 1 1 A 116 116 LEU CA C 116 53.053 53.162 -0.109 1 1 546 . 1 1 1 A 116 116 LEU CB C 116 43.919 46.049 -2.130 1 1 547 . 1 1 1 A 116 116 LEU N N 116 124.621 120.456 4.165 1 1 548 . 1 1 1 A 117 117 THR H H 117 9.220 8.516 0.704 1 1 549 . 1 1 1 A 117 117 THR C C 117 174.727 175.446 -0.719 1 1 550 . 1 1 1 A 117 117 THR CA C 117 59.801 60.499 -0.698 1 1 551 . 1 1 1 A 117 117 THR CB C 117 70.452 71.772 -1.320 1 1 552 . 1 1 1 A 117 117 THR N N 117 114.845 111.703 3.142 1 1 553 . 1 1 1 A 118 118 ASP H H 118 8.875 8.896 -0.021 1 1 554 . 1 1 1 A 118 118 ASP C C 118 177.827 178.480 -0.653 1 1 555 . 1 1 1 A 118 118 ASP CA C 118 57.259 57.882 -0.623 1 1 556 . 1 1 1 A 118 118 ASP CB C 118 38.584 40.410 -1.826 1 1 557 . 1 1 1 A 118 118 ASP N N 118 121.055 121.784 -0.729 1 1 558 . 1 1 1 A 119 119 GLU H H 119 8.599 8.320 0.279 1 1 559 . 1 1 1 A 119 119 GLU C C 119 178.427 179.407 -0.980 1 1 560 . 1 1 1 A 119 119 GLU CA C 119 59.159 59.307 -0.148 1 1 561 . 1 1 1 A 119 119 GLU CB C 119 28.160 29.246 -1.086 1 1 562 . 1 1 1 A 119 119 GLU N N 119 119.115 119.964 -0.849 1 1 563 . 1 1 1 A 120 120 GLU H H 120 7.685 7.723 -0.038 1 1 564 . 1 1 1 A 120 120 GLU C C 120 178.927 179.780 -0.853 1 1 565 . 1 1 1 A 120 120 GLU CA C 120 58.350 58.951 -0.601 1 1 566 . 1 1 1 A 120 120 GLU CB C 120 29.776 29.454 0.322 1 1 567 . 1 1 1 A 120 120 GLU N N 120 120.381 119.580 0.801 1 1 568 . 1 1 1 A 121 121 VAL H H 121 7.990 7.407 0.583 1 1 569 . 1 1 1 A 121 121 VAL C C 121 178.827 177.948 0.879 1 1 570 . 1 1 1 A 121 121 VAL CA C 121 66.201 66.702 -0.501 1 1 571 . 1 1 1 A 121 121 VAL CB C 121 30.482 31.587 -1.105 1 1 572 . 1 1 1 A 121 121 VAL N N 121 120.701 121.518 -0.817 1 1 573 . 1 1 1 A 122 122 ASP H H 122 7.813 8.064 -0.251 1 1 574 . 1 1 1 A 122 122 ASP C C 122 178.727 179.267 -0.540 1 1 575 . 1 1 1 A 122 122 ASP CA C 122 56.761 57.543 -0.782 1 1 576 . 1 1 1 A 122 122 ASP CB C 122 39.680 40.331 -0.651 1 1 577 . 1 1 1 A 122 122 ASP N N 122 119.766 120.619 -0.853 1 1 578 . 1 1 1 A 123 123 GLU H H 123 8.013 7.696 0.317 1 1 579 . 1 1 1 A 123 123 GLU C C 123 177.727 179.521 -1.794 1 1 580 . 1 1 1 A 123 123 GLU CA C 123 58.539 59.386 -0.847 1 1 581 . 1 1 1 A 123 123 GLU CB C 123 28.709 29.329 -0.620 1 1 582 . 1 1 1 A 123 123 GLU N N 123 119.512 120.256 -0.744 1 1 583 . 1 1 1 A 124 124 MET H H 124 7.760 7.901 -0.141 1 1 584 . 1 1 1 A 124 124 MET C C 124 178.227 179.043 -0.816 1 1 585 . 1 1 1 A 124 124 MET CA C 124 59.157 58.264 0.893 1 1 586 . 1 1 1 A 124 124 MET CB C 124 28.592 31.660 -3.068 1 1 587 . 1 1 1 A 124 124 MET N N 124 119.642 119.122 0.520 1 1 588 . 1 1 1 A 125 125 ILE H H 125 8.011 7.867 0.144 1 1 589 . 1 1 1 A 125 125 ILE C C 125 178.527 178.909 -0.382 1 1 590 . 1 1 1 A 125 125 ILE CA C 125 62.447 64.545 -2.098 1 1 591 . 1 1 1 A 125 125 ILE CB C 125 34.855 37.590 -2.735 1 1 592 . 1 1 1 A 125 125 ILE N N 125 119.272 120.457 -1.185 1 1 593 . 1 1 1 A 126 126 ARG H H 126 8.253 7.706 0.547 1 1 594 . 1 1 1 A 126 126 ARG C C 126 177.627 179.005 -1.378 1 1 595 . 1 1 1 A 126 126 ARG CA C 126 58.816 58.598 0.218 1 1 596 . 1 1 1 A 126 126 ARG CB C 126 29.456 30.167 -0.711 1 1 597 . 1 1 1 A 126 126 ARG N N 126 117.956 119.667 -1.711 1 1 598 . 1 1 1 A 127 127 GLU H H 127 7.906 7.771 0.135 1 1 599 . 1 1 1 A 127 127 GLU C C 127 176.327 178.146 -1.819 1 1 600 . 1 1 1 A 127 127 GLU CA C 127 58.127 59.166 -1.039 1 1 601 . 1 1 1 A 127 127 GLU CB C 127 29.136 29.454 -0.318 1 1 602 . 1 1 1 A 127 127 GLU N N 127 116.947 119.721 -2.774 1 1 603 . 1 1 1 A 128 128 ALA H H 128 7.198 7.530 -0.332 1 1 604 . 1 1 1 A 128 128 ALA C C 128 176.627 177.255 -0.628 1 1 605 . 1 1 1 A 128 128 ALA CA C 128 50.445 51.915 -1.470 1 1 606 . 1 1 1 A 128 128 ALA CB C 128 21.324 20.168 1.156 1 1 607 . 1 1 1 A 128 128 ALA N N 128 117.369 119.566 -2.197 1 1 608 . 1 1 1 A 129 129 ASP H H 129 7.988 7.656 0.332 1 1 609 . 1 1 1 A 129 129 ASP C C 129 175.027 175.815 -0.788 1 1 610 . 1 1 1 A 129 129 ASP CA C 129 53.636 54.716 -1.080 1 1 611 . 1 1 1 A 129 129 ASP CB C 129 39.874 41.622 -1.748 1 1 612 . 1 1 1 A 129 129 ASP N N 129 118.092 118.545 -0.453 1 1 613 . 1 1 1 A 130 130 ILE H H 130 8.201 8.613 -0.412 1 1 614 . 1 1 1 A 130 130 ILE C C 130 177.027 176.635 0.392 1 1 615 . 1 1 1 A 130 130 ILE CA C 130 62.585 61.715 0.870 1 1 616 . 1 1 1 A 130 130 ILE CB C 130 37.635 38.860 -1.225 1 1 617 . 1 1 1 A 130 130 ILE N N 130 128.007 126.053 1.954 1 1 618 . 1 1 1 A 131 131 ASP H H 131 8.279 7.445 0.834 1 1 619 . 1 1 1 A 131 131 ASP C C 131 177.427 176.528 0.899 1 1 620 . 1 1 1 A 131 131 ASP CA C 131 53.086 53.926 -0.840 1 1 621 . 1 1 1 A 131 131 ASP CB C 131 38.896 41.747 -2.851 1 1 622 . 1 1 1 A 131 131 ASP N N 131 116.628 119.201 -2.573 1 1 623 . 1 1 1 A 132 132 GLY H H 132 7.609 8.013 -0.404 1 1 624 . 1 1 1 A 132 132 GLY C C 132 174.427 175.124 -0.697 1 1 625 . 1 1 1 A 132 132 GLY CA C 132 46.493 46.856 -0.363 1 1 626 . 1 1 1 A 132 132 GLY N N 132 108.488 108.152 0.336 1 1 627 . 1 1 1 A 133 133 ASP H H 133 8.326 7.988 0.338 1 1 628 . 1 1 1 A 133 133 ASP C C 133 176.727 177.553 -0.826 1 1 629 . 1 1 1 A 133 133 ASP CA C 133 52.841 53.317 -0.476 1 1 630 . 1 1 1 A 133 133 ASP CB C 133 39.070 40.571 -1.501 1 1 631 . 1 1 1 A 133 133 ASP N N 133 120.674 120.298 0.376 1 1 632 . 1 1 1 A 134 134 GLY H H 134 10.109 8.917 1.192 1 1 633 . 1 1 1 A 134 134 GLY C C 134 171.927 173.533 -1.606 1 1 634 . 1 1 1 A 134 134 GLY CA C 134 44.908 45.424 -0.516 1 1 635 . 1 1 1 A 134 134 GLY N N 134 112.451 111.258 1.193 1 1 636 . 1 1 1 A 135 135 GLN H H 135 7.919 7.941 -0.022 1 1 637 . 1 1 1 A 135 135 GLN C C 135 174.327 174.792 -0.465 1 1 638 . 1 1 1 A 135 135 GLN CA C 135 52.355 54.147 -1.792 1 1 639 . 1 1 1 A 135 135 GLN CB C 135 31.560 31.364 0.196 1 1 640 . 1 1 1 A 135 135 GLN N N 135 115.245 119.509 -4.264 1 1 641 . 1 1 1 A 136 136 VAL H H 136 9.063 8.869 0.194 1 1 642 . 1 1 1 A 136 136 VAL C C 136 175.027 176.209 -1.182 1 1 643 . 1 1 1 A 136 136 VAL CA C 136 60.841 61.530 -0.689 1 1 644 . 1 1 1 A 136 136 VAL CB C 136 33.096 33.389 -0.293 1 1 645 . 1 1 1 A 136 136 VAL N N 136 125.523 123.317 2.206 1 1 646 . 1 1 1 A 137 137 ASN H H 137 9.408 9.056 0.352 1 1 647 . 1 1 1 A 137 137 ASN C C 137 174.027 174.905 -0.878 1 1 648 . 1 1 1 A 137 137 ASN CA C 137 50.172 51.617 -1.445 1 1 649 . 1 1 1 A 137 137 ASN CB C 137 37.607 38.928 -1.321 1 1 650 . 1 1 1 A 137 137 ASN N N 137 129.089 127.472 1.617 1 1 651 . 1 1 1 A 138 138 TYR H H 138 8.293 8.681 -0.388 1 1 652 . 1 1 1 A 138 138 TYR C C 138 175.327 177.392 -2.065 1 1 653 . 1 1 1 A 138 138 TYR CA C 138 61.519 61.655 -0.136 1 1 654 . 1 1 1 A 138 138 TYR CB C 138 36.631 38.024 -1.393 1 1 655 . 1 1 1 A 138 138 TYR N N 138 118.577 119.528 -0.951 1 1 656 . 1 1 1 A 139 139 GLU H H 139 8.013 8.267 -0.254 1 1 657 . 1 1 1 A 139 139 GLU C C 139 179.527 179.400 0.127 1 1 658 . 1 1 1 A 139 139 GLU CA C 139 59.376 60.074 -0.698 1 1 659 . 1 1 1 A 139 139 GLU CB C 139 27.940 29.618 -1.678 1 1 660 . 1 1 1 A 139 139 GLU N N 139 118.351 119.080 -0.729 1 1 661 . 1 1 1 A 140 140 GLU H H 140 8.664 7.894 0.770 1 1 662 . 1 1 1 A 140 140 GLU C C 140 178.427 178.900 -0.473 1 1 663 . 1 1 1 A 140 140 GLU CA C 140 57.843 58.504 -0.661 1 1 664 . 1 1 1 A 140 140 GLU CB C 140 28.540 29.584 -1.044 1 1 665 . 1 1 1 A 140 140 GLU N N 140 119.622 119.678 -0.056 1 1 666 . 1 1 1 A 141 141 PHE H H 141 8.483 7.801 0.682 1 1 667 . 1 1 1 A 141 141 PHE C C 141 175.927 176.693 -0.766 1 1 668 . 1 1 1 A 141 141 PHE CA C 141 61.100 61.189 -0.089 1 1 669 . 1 1 1 A 141 141 PHE CB C 141 39.514 39.156 0.358 1 1 670 . 1 1 1 A 141 141 PHE N N 141 124.431 122.799 1.632 1 1 671 . 1 1 1 A 142 142 VAL H H 142 8.613 7.757 0.856 1 1 672 . 1 1 1 A 142 142 VAL C C 142 176.527 177.721 -1.194 1 1 673 . 1 1 1 A 142 142 VAL CA C 142 66.193 65.980 0.213 1 1 674 . 1 1 1 A 142 142 VAL CB C 142 30.418 31.026 -0.608 1 1 675 . 1 1 1 A 142 142 VAL N N 142 118.761 119.312 -0.551 1 1 676 . 1 1 1 A 143 143 GLN H H 143 7.827 7.795 0.032 1 1 677 . 1 1 1 A 143 143 GLN C C 143 177.327 177.761 -0.434 1 1 678 . 1 1 1 A 143 143 GLN CA C 143 58.207 58.840 -0.633 1 1 679 . 1 1 1 A 143 143 GLN CB C 143 26.865 28.014 -1.149 1 1 680 . 1 1 1 A 143 143 GLN N N 143 119.122 119.894 -0.772 1 1 681 . 1 1 1 A 144 144 MET H H 144 7.480 8.211 -0.731 1 1 682 . 1 1 1 A 144 144 MET C C 144 177.127 177.058 0.069 1 1 683 . 1 1 1 A 144 144 MET CA C 144 56.977 57.325 -0.348 1 1 684 . 1 1 1 A 144 144 MET CB C 144 30.013 32.147 -2.134 1 1 685 . 1 1 1 A 144 144 MET N N 144 118.371 116.801 1.570 1 1 686 . 1 1 1 A 145 145 MET H H 145 7.464 7.636 -0.172 1 1 687 . 1 1 1 A 145 145 MET C C 145 177.227 177.389 -0.162 1 1 688 . 1 1 1 A 145 145 MET CA C 145 54.042 56.719 -2.677 1 1 689 . 1 1 1 A 145 145 MET CB C 145 29.558 32.936 -3.378 1 1 690 . 1 1 1 A 145 145 MET N N 145 114.825 118.428 -3.603 1 1 691 . 1 1 1 A 146 146 THR H H 146 7.668 7.193 0.475 1 1 692 . 1 1 1 A 146 146 THR C C 146 173.627 174.799 -1.172 1 1 693 . 1 1 1 A 146 146 THR CA C 146 61.235 62.130 -0.895 1 1 694 . 1 1 1 A 146 146 THR CB C 146 69.604 69.932 -0.328 1 1 695 . 1 1 1 A 146 146 THR N N 146 109.676 107.023 2.653 1 1 696 . 1 1 1 A 147 147 ALA H H 147 7.439 7.330 0.109 1 1 697 . 1 1 1 A 147 147 ALA C C 147 176.027 175.936 0.091 1 1 698 . 1 1 1 A 147 147 ALA CA C 147 52.043 51.601 0.442 1 1 699 . 1 1 1 A 147 147 ALA CB C 147 18.089 21.819 -3.730 1 1 700 . 1 1 1 A 147 147 ALA N N 147 126.765 121.403 5.362 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 137 1.041 1 2 1 1 1 "RMS(OBS, PRED)" CA 140 1.059 1 3 1 1 1 "RMS(OBS, PRED)" CB 128 1.427 1 4 1 1 1 "RMS(OBS, PRED)" H 140 0.535 1 5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1 6 1 1 1 "RMS(OBS, PRED)" N 140 2.060 1 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.Conformer_type "average" _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.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 16 . 1 1 A 4 4 LEU H H 4 7.778 7.618 0.160 2 1 17 . 1 1 A 4 4 LEU C C 4 176.727 175.841 0.886 2 1 18 . 1 1 A 4 4 LEU CA C 4 53.378 54.364 -0.986 2 1 19 . 1 1 A 4 4 LEU CB C 4 42.681 42.890 -0.209 2 1 20 . 1 1 A 4 4 LEU N N 4 121.696 119.736 1.960 2 1 21 . 1 1 A 5 5 THR H H 5 8.671 8.463 0.208 2 1 22 . 1 1 A 5 5 THR C C 5 174.327 175.980 -1.653 2 1 23 . 1 1 A 5 5 THR CA C 5 59.569 60.470 -0.901 2 1 24 . 1 1 A 5 5 THR CB C 5 70.237 71.524 -1.287 2 1 25 . 1 1 A 5 5 THR N N 5 112.801 116.179 -3.378 2 1 26 . 1 1 A 6 6 GLU H H 6 8.742 9.049 -0.307 2 1 27 . 1 1 A 6 6 GLU C C 6 178.727 178.883 -0.156 2 1 28 . 1 1 A 6 6 GLU CA C 6 59.156 59.821 -0.665 2 1 29 . 1 1 A 6 6 GLU CB C 6 28.219 29.208 -0.989 2 1 30 . 1 1 A 6 6 GLU N N 6 120.562 121.641 -1.079 2 1 31 . 1 1 A 7 7 GLU H H 7 8.604 8.347 0.257 2 1 32 . 1 1 A 7 7 GLU C C 7 178.427 179.167 -0.740 2 1 33 . 1 1 A 7 7 GLU CA C 7 59.156 59.684 -0.528 2 1 34 . 1 1 A 7 7 GLU CB C 7 28.091 29.009 -0.918 2 1 35 . 1 1 A 7 7 GLU N N 7 119.507 119.606 -0.099 2 1 36 . 1 1 A 8 8 GLN H H 8 7.650 7.274 0.376 2 1 37 . 1 1 A 8 8 GLN C C 8 177.327 178.422 -1.095 2 1 38 . 1 1 A 8 8 GLN CA C 8 57.735 58.188 -0.453 2 1 39 . 1 1 A 8 8 GLN CB C 8 28.133 28.083 0.050 2 1 40 . 1 1 A 8 8 GLN N N 8 120.254 118.003 2.251 2 1 41 . 1 1 A 9 9 ILE H H 9 8.291 7.822 0.469 2 1 42 . 1 1 A 9 9 ILE C C 9 176.927 177.878 -0.951 2 1 43 . 1 1 A 9 9 ILE CA C 9 65.500 65.176 0.324 2 1 44 . 1 1 A 9 9 ILE CB C 9 36.849 37.713 -0.864 2 1 45 . 1 1 A 9 9 ILE N N 9 118.913 121.173 -2.260 2 1 46 . 1 1 A 10 10 ALA H H 10 7.966 7.784 0.182 2 1 47 . 1 1 A 10 10 ALA C C 10 180.227 179.642 0.585 2 1 48 . 1 1 A 10 10 ALA CA C 10 54.604 55.243 -0.639 2 1 49 . 1 1 A 10 10 ALA CB C 10 16.841 17.902 -1.061 2 1 50 . 1 1 A 10 10 ALA N N 10 120.995 121.400 -0.405 2 1 51 . 1 1 A 11 11 GLU H H 11 7.668 7.394 0.274 2 1 52 . 1 1 A 11 11 GLU C C 11 179.127 179.152 -0.025 2 1 53 . 1 1 A 11 11 GLU CA C 11 58.637 58.238 0.399 2 1 54 . 1 1 A 11 11 GLU CB C 11 28.399 29.212 -0.813 2 1 55 . 1 1 A 11 11 GLU N N 11 119.633 119.292 0.341 2 1 56 . 1 1 A 12 12 PHE H H 12 8.502 7.433 1.069 2 1 57 . 1 1 A 12 12 PHE C C 12 178.127 178.078 0.049 2 1 58 . 1 1 A 12 12 PHE CA C 12 57.763 60.836 -3.073 2 1 59 . 1 1 A 12 12 PHE CB C 12 36.323 38.904 -2.581 2 1 60 . 1 1 A 12 12 PHE N N 12 119.166 119.003 0.163 2 1 61 . 1 1 A 13 13 LYS H H 13 9.233 8.545 0.688 2 1 62 . 1 1 A 13 13 LYS C C 13 178.327 178.693 -0.366 2 1 63 . 1 1 A 13 13 LYS CA C 13 59.341 60.275 -0.934 2 1 64 . 1 1 A 13 13 LYS CB C 13 31.040 32.371 -1.331 2 1 65 . 1 1 A 13 13 LYS N N 13 123.020 121.010 2.010 2 1 66 . 1 1 A 14 14 GLU H H 14 7.793 8.332 -0.539 2 1 67 . 1 1 A 14 14 GLU C C 14 178.927 179.257 -0.330 2 1 68 . 1 1 A 14 14 GLU CA C 14 58.849 59.398 -0.549 2 1 69 . 1 1 A 14 14 GLU CB C 14 28.308 29.561 -1.253 2 1 70 . 1 1 A 14 14 GLU N N 14 120.474 119.585 0.889 2 1 71 . 1 1 A 15 15 ALA H H 15 7.997 7.723 0.274 2 1 72 . 1 1 A 15 15 ALA C C 15 177.327 179.711 -2.384 2 1 73 . 1 1 A 15 15 ALA CA C 15 54.424 55.292 -0.868 2 1 74 . 1 1 A 15 15 ALA CB C 15 17.117 18.561 -1.444 2 1 75 . 1 1 A 15 15 ALA N N 15 122.017 122.736 -0.719 2 1 76 . 1 1 A 16 16 PHE H H 16 8.765 8.513 0.252 2 1 77 . 1 1 A 16 16 PHE C C 16 176.627 177.815 -1.188 2 1 78 . 1 1 A 16 16 PHE CA C 16 61.489 62.327 -0.838 2 1 79 . 1 1 A 16 16 PHE CB C 16 38.685 39.614 -0.929 2 1 80 . 1 1 A 16 16 PHE N N 16 119.132 119.988 -0.856 2 1 81 . 1 1 A 17 17 SER H H 17 8.075 8.231 -0.156 2 1 82 . 1 1 A 17 17 SER C C 17 173.927 176.297 -2.370 2 1 83 . 1 1 A 17 17 SER CA C 17 60.699 62.094 -1.395 2 1 84 . 1 1 A 17 17 SER CB C 17 62.353 63.315 -0.962 2 1 85 . 1 1 A 17 17 SER N N 17 112.561 115.323 -2.762 2 1 86 . 1 1 A 18 18 LEU H H 18 7.323 8.114 -0.791 2 1 87 . 1 1 A 18 18 LEU C C 18 176.927 178.594 -1.667 2 1 88 . 1 1 A 18 18 LEU CA C 18 56.462 57.523 -1.061 2 1 89 . 1 1 A 18 18 LEU CB C 18 40.171 42.228 -2.057 2 1 90 . 1 1 A 18 18 LEU N N 18 121.075 122.488 -1.413 2 1 91 . 1 1 A 19 19 PHE H H 19 7.002 8.092 -1.090 2 1 92 . 1 1 A 19 19 PHE CA C 19 59.270 59.644 -0.374 2 1 93 . 1 1 A 19 19 PHE CB C 19 40.480 39.627 0.853 2 1 94 . 1 1 A 19 19 PHE N N 19 113.026 115.688 -2.662 2 1 95 . 1 1 A 20 20 ASP H H 20 7.992 7.342 0.650 2 1 96 . 1 1 A 20 20 ASP C C 20 176.727 175.738 0.989 2 1 97 . 1 1 A 20 20 ASP CA C 20 51.758 54.068 -2.310 2 1 98 . 1 1 A 20 20 ASP CB C 20 37.911 40.779 -2.868 2 1 99 . 1 1 A 20 20 ASP N N 20 117.269 118.591 -1.322 2 1 100 . 1 1 A 21 21 LYS H H 21 7.872 8.520 -0.648 2 1 101 . 1 1 A 21 21 LYS C C 21 177.527 177.462 0.065 2 1 102 . 1 1 A 21 21 LYS CA C 21 57.835 58.495 -0.660 2 1 103 . 1 1 A 21 21 LYS CB C 21 31.700 32.785 -1.085 2 1 104 . 1 1 A 21 21 LYS N N 21 124.741 124.963 -0.222 2 1 105 . 1 1 A 22 22 ASP H H 22 7.875 7.952 -0.077 2 1 106 . 1 1 A 22 22 ASP C C 22 176.827 177.287 -0.460 2 1 107 . 1 1 A 22 22 ASP CA C 22 51.897 53.143 -1.246 2 1 108 . 1 1 A 22 22 ASP CB C 22 38.512 40.534 -2.022 2 1 109 . 1 1 A 22 22 ASP N N 22 113.683 114.568 -0.885 2 1 110 . 1 1 A 23 23 GLY H H 23 7.636 7.949 -0.313 2 1 111 . 1 1 A 23 23 GLY C C 23 174.427 175.147 -0.720 2 1 112 . 1 1 A 23 23 GLY CA C 23 46.295 46.767 -0.472 2 1 113 . 1 1 A 23 23 GLY N N 23 109.115 109.279 -0.164 2 1 114 . 1 1 A 24 24 ASP H H 24 8.317 8.178 0.139 2 1 115 . 1 1 A 24 24 ASP C C 24 176.627 177.259 -0.632 2 1 116 . 1 1 A 24 24 ASP CA C 24 52.867 53.515 -0.648 2 1 117 . 1 1 A 24 24 ASP CB C 24 39.394 40.411 -1.017 2 1 118 . 1 1 A 24 24 ASP N N 24 120.452 120.270 0.182 2 1 119 . 1 1 A 25 25 GLY H H 25 10.521 8.547 1.974 2 1 120 . 1 1 A 25 25 GLY C C 25 173.127 173.766 -0.639 2 1 121 . 1 1 A 25 25 GLY CA C 25 44.525 45.319 -0.794 2 1 122 . 1 1 A 25 25 GLY N N 25 113.042 110.884 2.158 2 1 123 . 1 1 A 26 26 THR H H 26 8.054 7.649 0.405 2 1 124 . 1 1 A 26 26 THR C C 26 172.427 173.202 -0.775 2 1 125 . 1 1 A 26 26 THR CA C 26 58.557 59.342 -0.785 2 1 126 . 1 1 A 26 26 THR CB C 26 71.968 72.537 -0.569 2 1 127 . 1 1 A 26 26 THR N N 26 111.235 109.576 1.659 2 1 128 . 1 1 A 27 27 ILE H H 27 9.831 8.827 1.004 2 1 129 . 1 1 A 27 27 ILE C C 27 175.427 176.428 -1.001 2 1 130 . 1 1 A 27 27 ILE CA C 27 59.822 60.125 -0.303 2 1 131 . 1 1 A 27 27 ILE CB C 27 38.904 39.754 -0.850 2 1 132 . 1 1 A 27 27 ILE N N 27 126.564 122.674 3.890 2 1 133 . 1 1 A 28 28 THR H H 28 8.356 8.679 -0.323 2 1 134 . 1 1 A 28 28 THR C C 28 176.027 176.520 -0.493 2 1 135 . 1 1 A 28 28 THR CA C 28 58.699 59.550 -0.851 2 1 136 . 1 1 A 28 28 THR CB C 28 71.562 71.781 -0.219 2 1 137 . 1 1 A 28 28 THR N N 28 116.404 120.231 -3.827 2 1 138 . 1 1 A 29 29 THR H H 29 9.173 8.946 0.227 2 1 139 . 1 1 A 29 29 THR C C 29 176.727 176.884 -0.157 2 1 140 . 1 1 A 29 29 THR CA C 29 65.676 66.001 -0.325 2 1 141 . 1 1 A 29 29 THR CB C 29 67.101 68.244 -1.143 2 1 142 . 1 1 A 29 29 THR N N 29 112.601 113.036 -0.435 2 1 143 . 1 1 A 30 30 LYS H H 30 7.584 8.037 -0.453 2 1 144 . 1 1 A 30 30 LYS C C 30 179.127 179.310 -0.183 2 1 145 . 1 1 A 30 30 LYS CA C 30 58.369 59.345 -0.976 2 1 146 . 1 1 A 30 30 LYS CB C 30 31.588 32.134 -0.546 2 1 147 . 1 1 A 30 30 LYS N N 30 121.073 121.312 -0.239 2 1 148 . 1 1 A 31 31 GLU H H 31 7.621 7.583 0.038 2 1 149 . 1 1 A 31 31 GLU C C 31 178.627 179.387 -0.760 2 1 150 . 1 1 A 31 31 GLU CA C 31 58.791 59.158 -0.367 2 1 151 . 1 1 A 31 31 GLU CB C 31 28.713 29.322 -0.609 2 1 152 . 1 1 A 31 31 GLU N N 31 122.237 120.022 2.215 2 1 153 . 1 1 A 32 32 LEU H H 32 8.608 8.300 0.308 2 1 154 . 1 1 A 32 32 LEU C C 32 178.227 178.964 -0.737 2 1 155 . 1 1 A 32 32 LEU CA C 32 57.595 57.928 -0.333 2 1 156 . 1 1 A 32 32 LEU CB C 32 42.190 41.869 0.321 2 1 157 . 1 1 A 32 32 LEU N N 32 120.194 121.027 -0.833 2 1 158 . 1 1 A 33 33 GLY H H 33 8.546 8.225 0.321 2 1 159 . 1 1 A 33 33 GLY C C 33 174.227 175.816 -1.589 2 1 160 . 1 1 A 33 33 GLY CA C 33 47.393 46.235 1.158 2 1 161 . 1 1 A 33 33 GLY N N 33 104.407 106.445 -2.038 2 1 162 . 1 1 A 34 34 THR H H 34 8.007 7.830 0.177 2 1 163 . 1 1 A 34 34 THR C C 34 176.427 176.716 -0.289 2 1 164 . 1 1 A 34 34 THR CA C 34 66.415 66.182 0.233 2 1 165 . 1 1 A 34 34 THR CB C 34 68.039 67.995 0.044 2 1 166 . 1 1 A 34 34 THR N N 34 117.523 117.449 0.074 2 1 167 . 1 1 A 35 35 VAL H H 35 7.433 7.284 0.149 2 1 168 . 1 1 A 35 35 VAL C C 35 178.027 178.091 -0.064 2 1 169 . 1 1 A 35 35 VAL CA C 35 65.680 66.321 -0.641 2 1 170 . 1 1 A 35 35 VAL CB C 35 30.583 31.108 -0.525 2 1 171 . 1 1 A 35 35 VAL N N 35 121.336 121.457 -0.121 2 1 172 . 1 1 A 36 36 MET H H 36 8.343 7.686 0.657 2 1 173 . 1 1 A 36 36 MET C C 36 178.327 178.807 -0.480 2 1 174 . 1 1 A 36 36 MET CA C 36 58.870 58.213 0.657 2 1 175 . 1 1 A 36 36 MET CB C 36 30.785 31.588 -0.803 2 1 176 . 1 1 A 36 36 MET N N 36 117.936 117.364 0.572 2 1 177 . 1 1 A 37 37 ARG H H 37 8.518 7.851 0.667 2 1 178 . 1 1 A 37 37 ARG C C 37 180.427 178.829 1.598 2 1 179 . 1 1 A 37 37 ARG CA C 37 58.083 59.384 -1.301 2 1 180 . 1 1 A 37 37 ARG CB C 37 29.234 29.969 -0.735 2 1 181 . 1 1 A 37 37 ARG N N 37 117.811 121.407 -3.596 2 1 182 . 1 1 A 38 38 SER H H 38 7.840 8.243 -0.403 2 1 183 . 1 1 A 38 38 SER C C 38 173.727 175.003 -1.276 2 1 184 . 1 1 A 38 38 SER CA C 38 60.849 60.964 -0.115 2 1 185 . 1 1 A 38 38 SER CB C 38 62.021 62.912 -0.891 2 1 186 . 1 1 A 38 38 SER N N 38 118.522 114.656 3.866 2 1 187 . 1 1 A 39 39 LEU H H 39 7.292 7.412 -0.120 2 1 188 . 1 1 A 39 39 LEU C C 39 175.927 176.946 -1.019 2 1 189 . 1 1 A 39 39 LEU CA C 39 53.041 54.629 -1.588 2 1 190 . 1 1 A 39 39 LEU CB C 39 40.196 42.173 -1.977 2 1 191 . 1 1 A 39 39 LEU N N 39 119.833 120.096 -0.263 2 1 192 . 1 1 A 40 40 GLY H H 40 7.638 7.627 0.011 2 1 193 . 1 1 A 40 40 GLY C C 40 173.627 173.896 -0.269 2 1 194 . 1 1 A 40 40 GLY CA C 40 44.903 45.635 -0.732 2 1 195 . 1 1 A 40 40 GLY N N 40 105.424 106.887 -1.463 2 1 196 . 1 1 A 41 41 GLN H H 41 7.825 7.533 0.292 2 1 197 . 1 1 A 41 41 GLN C C 41 173.427 174.935 -1.508 2 1 198 . 1 1 A 41 41 GLN CA C 41 53.454 54.310 -0.856 2 1 199 . 1 1 A 41 41 GLN CB C 41 29.453 30.711 -1.258 2 1 200 . 1 1 A 41 41 GLN N N 41 118.169 119.463 -1.294 2 1 201 . 1 1 A 42 42 ASN H H 42 8.708 8.921 -0.213 2 1 202 . 1 1 A 42 42 ASN CA C 42 50.529 50.445 0.084 2 1 203 . 1 1 A 42 42 ASN CB C 42 38.363 39.244 -0.881 2 1 204 . 1 1 A 42 42 ASN N N 42 116.192 121.507 -5.315 2 1 205 . 1 1 A 43 43 PRO C C 43 177.015 176.816 0.199 2 1 206 . 1 1 A 44 44 THR H H 44 8.781 8.000 0.781 2 1 207 . 1 1 A 44 44 THR C C 44 174.627 175.509 -0.882 2 1 208 . 1 1 A 44 44 THR CA C 44 59.569 60.455 -0.886 2 1 209 . 1 1 A 44 44 THR CB C 44 70.247 71.682 -1.435 2 1 210 . 1 1 A 44 44 THR N N 44 113.362 112.844 0.518 2 1 211 . 1 1 A 45 45 GLU H H 45 8.969 9.032 -0.063 2 1 212 . 1 1 A 45 45 GLU C C 45 178.227 177.989 0.238 2 1 213 . 1 1 A 45 45 GLU CA C 45 59.089 59.719 -0.630 2 1 214 . 1 1 A 45 45 GLU CB C 45 27.960 29.549 -1.589 2 1 215 . 1 1 A 45 45 GLU N N 45 120.454 121.995 -1.541 2 1 216 . 1 1 A 46 46 ALA H H 46 8.217 8.327 -0.110 2 1 217 . 1 1 A 46 46 ALA C C 46 179.427 179.896 -0.469 2 1 218 . 1 1 A 46 46 ALA CA C 46 54.098 54.867 -0.769 2 1 219 . 1 1 A 46 46 ALA CB C 46 17.117 18.238 -1.121 2 1 220 . 1 1 A 46 46 ALA N N 46 120.735 121.552 -0.817 2 1 221 . 1 1 A 47 47 GLU H H 47 7.652 7.568 0.084 2 1 222 . 1 1 A 47 47 GLU CA C 47 58.220 59.479 -1.259 2 1 223 . 1 1 A 47 47 GLU CB C 47 28.729 30.439 -1.710 2 1 224 . 1 1 A 47 47 GLU N N 47 118.571 118.221 0.350 2 1 225 . 1 1 A 49 49 GLN H H 49 8.122 7.947 0.175 2 1 226 . 1 1 A 49 49 GLN C C 49 177.727 178.053 -0.326 2 1 227 . 1 1 A 49 49 GLN CA C 49 57.763 59.192 -1.429 2 1 228 . 1 1 A 49 49 GLN CB C 49 27.153 28.570 -1.417 2 1 229 . 1 1 A 49 49 GLN N N 49 118.210 119.882 -1.672 2 1 230 . 1 1 A 50 50 ASP H H 50 8.064 7.798 0.266 2 1 231 . 1 1 A 50 50 ASP C C 50 177.927 179.118 -1.191 2 1 232 . 1 1 A 50 50 ASP CA C 50 56.813 57.434 -0.621 2 1 233 . 1 1 A 50 50 ASP CB C 50 39.384 40.024 -0.640 2 1 234 . 1 1 A 50 50 ASP N N 50 119.941 119.937 0.004 2 1 235 . 1 1 A 51 51 MET H H 51 7.786 7.883 -0.097 2 1 236 . 1 1 A 51 51 MET C C 51 176.227 179.173 -2.946 2 1 237 . 1 1 A 51 51 MET CA C 51 58.470 58.748 -0.278 2 1 238 . 1 1 A 51 51 MET CB C 51 32.305 32.537 -0.232 2 1 239 . 1 1 A 51 51 MET N N 51 119.331 118.689 0.642 2 1 240 . 1 1 A 52 52 ILE H H 52 7.544 7.604 -0.060 2 1 241 . 1 1 A 52 52 ILE C C 52 177.127 177.746 -0.619 2 1 242 . 1 1 A 52 52 ILE CA C 52 63.996 64.762 -0.766 2 1 243 . 1 1 A 52 52 ILE CB C 52 36.215 36.513 -0.298 2 1 244 . 1 1 A 52 52 ILE N N 52 117.492 120.417 -2.925 2 1 245 . 1 1 A 53 53 ASN H H 53 8.546 8.142 0.404 2 1 246 . 1 1 A 53 53 ASN C C 53 176.427 178.419 -1.992 2 1 247 . 1 1 A 53 53 ASN CA C 53 55.050 56.615 -1.565 2 1 248 . 1 1 A 53 53 ASN CB C 53 37.348 37.955 -0.607 2 1 249 . 1 1 A 53 53 ASN N N 53 117.770 119.839 -2.069 2 1 250 . 1 1 A 54 54 GLU H H 54 7.448 8.166 -0.718 2 1 251 . 1 1 A 54 54 GLU C C 54 176.627 178.282 -1.655 2 1 252 . 1 1 A 54 54 GLU CA C 54 57.984 59.447 -1.463 2 1 253 . 1 1 A 54 54 GLU CB C 54 29.351 29.650 -0.299 2 1 254 . 1 1 A 54 54 GLU N N 54 116.307 120.381 -4.074 2 1 255 . 1 1 A 55 55 VAL H H 55 7.118 6.872 0.246 2 1 256 . 1 1 A 55 55 VAL C C 55 174.927 175.401 -0.474 2 1 257 . 1 1 A 55 55 VAL CA C 55 60.110 61.022 -0.912 2 1 258 . 1 1 A 55 55 VAL CB C 55 31.900 32.913 -1.013 2 1 259 . 1 1 A 55 55 VAL N N 55 109.685 108.514 1.171 2 1 260 . 1 1 A 56 56 ASP H H 56 7.699 7.642 0.057 2 1 261 . 1 1 A 56 56 ASP C C 56 175.027 176.528 -1.501 2 1 262 . 1 1 A 56 56 ASP CA C 56 53.305 53.686 -0.381 2 1 263 . 1 1 A 56 56 ASP CB C 56 39.513 40.924 -1.411 2 1 264 . 1 1 A 56 56 ASP N N 56 121.135 123.381 -2.246 2 1 265 . 1 1 A 57 57 ALA H H 57 8.499 8.467 0.032 2 1 266 . 1 1 A 57 57 ALA C C 57 178.027 177.474 0.553 2 1 267 . 1 1 A 57 57 ALA CA C 57 53.145 51.241 1.904 2 1 268 . 1 1 A 57 57 ALA CB C 57 18.757 20.326 -1.569 2 1 269 . 1 1 A 57 57 ALA N N 57 132.053 128.256 3.797 2 1 270 . 1 1 A 58 58 ASP H H 58 8.266 7.810 0.456 2 1 271 . 1 1 A 58 58 ASP C C 58 177.127 176.859 0.268 2 1 272 . 1 1 A 58 58 ASP CA C 58 52.010 54.057 -2.047 2 1 273 . 1 1 A 58 58 ASP CB C 58 38.912 41.589 -2.677 2 1 274 . 1 1 A 58 58 ASP N N 58 114.369 117.080 -2.711 2 1 275 . 1 1 A 59 59 GLY H H 59 7.542 8.009 -0.467 2 1 276 . 1 1 A 59 59 GLY C C 59 174.227 174.775 -0.548 2 1 277 . 1 1 A 59 59 GLY CA C 59 46.379 46.428 -0.049 2 1 278 . 1 1 A 59 59 GLY N N 59 109.155 107.550 1.605 2 1 279 . 1 1 A 60 60 ASP H H 60 8.277 7.489 0.788 2 1 280 . 1 1 A 60 60 ASP C C 60 176.627 177.440 -0.813 2 1 281 . 1 1 A 60 60 ASP CA C 60 53.069 53.303 -0.234 2 1 282 . 1 1 A 60 60 ASP CB C 60 39.733 42.053 -2.320 2 1 283 . 1 1 A 60 60 ASP N N 60 120.771 119.753 1.018 2 1 284 . 1 1 A 61 61 GLY H H 61 10.332 8.288 2.044 2 1 285 . 1 1 A 61 61 GLY C C 61 172.627 173.621 -0.994 2 1 286 . 1 1 A 61 61 GLY CA C 61 44.754 45.821 -1.067 2 1 287 . 1 1 A 61 61 GLY N N 61 112.846 110.129 2.717 2 1 288 . 1 1 A 62 62 THR H H 62 8.185 7.531 0.654 2 1 289 . 1 1 A 62 62 THR C C 62 172.727 173.196 -0.469 2 1 290 . 1 1 A 62 62 THR CA C 62 59.172 59.413 -0.241 2 1 291 . 1 1 A 62 62 THR CB C 62 71.365 72.736 -1.371 2 1 292 . 1 1 A 62 62 THR N N 62 111.279 109.419 1.860 2 1 293 . 1 1 A 63 63 ILE H H 63 8.797 8.612 0.185 2 1 294 . 1 1 A 63 63 ILE C C 63 174.927 175.219 -0.292 2 1 295 . 1 1 A 63 63 ILE CA C 63 59.130 60.521 -1.391 2 1 296 . 1 1 A 63 63 ILE CB C 63 39.508 39.213 0.295 2 1 297 . 1 1 A 63 63 ILE N N 63 122.297 121.186 1.111 2 1 298 . 1 1 A 64 64 ASP H H 64 8.865 8.892 -0.027 2 1 299 . 1 1 A 64 64 ASP C C 64 175.527 177.670 -2.143 2 1 300 . 1 1 A 64 64 ASP CA C 64 51.195 53.940 -2.745 2 1 301 . 1 1 A 64 64 ASP CB C 64 40.309 42.120 -1.811 2 1 302 . 1 1 A 64 64 ASP N N 64 128.962 127.971 0.991 2 1 303 . 1 1 A 65 65 PHE H H 65 8.797 8.986 -0.189 2 1 304 . 1 1 A 65 65 PHE CA C 65 62.664 62.751 -0.087 2 1 305 . 1 1 A 65 65 PHE N N 65 117.790 122.408 -4.618 2 1 306 . 1 1 A 66 66 PRO C C 66 179.460 178.878 0.582 2 1 307 . 1 1 A 67 67 GLU H H 67 8.269 8.470 -0.201 2 1 308 . 1 1 A 67 67 GLU C C 67 178.327 179.050 -0.723 2 1 309 . 1 1 A 67 67 GLU CA C 67 58.175 59.193 -1.018 2 1 310 . 1 1 A 67 67 GLU CB C 67 28.394 29.227 -0.833 2 1 311 . 1 1 A 67 67 GLU N N 67 118.351 117.972 0.379 2 1 312 . 1 1 A 68 68 PHE H H 68 8.985 8.175 0.810 2 1 313 . 1 1 A 68 68 PHE C C 68 176.327 176.974 -0.647 2 1 314 . 1 1 A 68 68 PHE CA C 68 60.754 61.289 -0.535 2 1 315 . 1 1 A 68 68 PHE CB C 68 39.321 39.207 0.114 2 1 316 . 1 1 A 68 68 PHE N N 68 123.720 122.586 1.134 2 1 317 . 1 1 A 69 69 LEU H H 69 8.654 8.022 0.632 2 1 318 . 1 1 A 69 69 LEU C C 69 178.227 178.822 -0.595 2 1 319 . 1 1 A 69 69 LEU CA C 69 57.114 57.856 -0.742 2 1 320 . 1 1 A 69 69 LEU CB C 69 40.314 41.324 -1.010 2 1 321 . 1 1 A 69 69 LEU N N 69 119.271 119.331 -0.060 2 1 322 . 1 1 A 70 70 THR H H 70 7.621 7.655 -0.034 2 1 323 . 1 1 A 70 70 THR C C 70 175.327 176.006 -0.679 2 1 324 . 1 1 A 70 70 THR CA C 70 66.038 66.131 -0.093 2 1 325 . 1 1 A 70 70 THR CB C 70 67.714 68.424 -0.710 2 1 326 . 1 1 A 70 70 THR N N 70 115.766 115.299 0.467 2 1 327 . 1 1 A 71 71 MET H H 71 7.605 7.679 -0.074 2 1 328 . 1 1 A 71 71 MET C C 71 176.927 178.026 -1.099 2 1 329 . 1 1 A 71 71 MET CA C 71 57.853 58.370 -0.517 2 1 330 . 1 1 A 71 71 MET CB C 71 31.367 32.255 -0.888 2 1 331 . 1 1 A 71 71 MET N N 71 121.364 119.834 1.530 2 1 332 . 1 1 A 72 72 MET H H 72 8.232 8.240 -0.008 2 1 333 . 1 1 A 72 72 MET C C 72 178.127 177.813 0.314 2 1 334 . 1 1 A 72 72 MET CA C 72 55.618 57.202 -1.584 2 1 335 . 1 1 A 72 72 MET CB C 72 30.867 30.605 0.262 2 1 336 . 1 1 A 72 72 MET N N 72 117.128 117.321 -0.193 2 1 337 . 1 1 A 73 73 ALA H H 73 8.170 7.007 1.163 2 1 338 . 1 1 A 73 73 ALA C C 73 178.927 178.887 0.040 2 1 339 . 1 1 A 73 73 ALA CA C 73 53.933 54.536 -0.603 2 1 340 . 1 1 A 73 73 ALA CB C 73 17.053 18.268 -1.215 2 1 341 . 1 1 A 73 73 ALA N N 73 121.275 120.997 0.278 2 1 342 . 1 1 A 74 74 ARG H H 74 7.419 7.440 -0.021 2 1 343 . 1 1 A 74 74 ARG C C 74 177.527 176.634 0.893 2 1 344 . 1 1 A 74 74 ARG CA C 74 57.733 57.370 0.363 2 1 345 . 1 1 A 74 74 ARG CB C 74 29.606 29.999 -0.393 2 1 346 . 1 1 A 74 74 ARG N N 74 115.593 115.544 0.049 2 1 347 . 1 1 A 75 75 LYS H H 75 7.703 7.109 0.594 2 1 348 . 1 1 A 75 75 LYS C C 75 177.927 176.661 1.266 2 1 349 . 1 1 A 75 75 LYS CA C 75 55.111 57.168 -2.057 2 1 350 . 1 1 A 75 75 LYS CB C 75 31.805 34.158 -2.353 2 1 351 . 1 1 A 75 75 LYS N N 75 116.198 116.554 -0.356 2 1 352 . 1 1 A 76 76 MET H H 76 7.558 7.695 -0.137 2 1 353 . 1 1 A 76 76 MET C C 76 175.327 175.950 -0.623 2 1 354 . 1 1 A 76 76 MET CA C 76 55.766 53.772 1.994 2 1 355 . 1 1 A 76 76 MET CB C 76 31.519 32.288 -0.769 2 1 356 . 1 1 A 76 76 MET N N 76 117.629 118.885 -1.256 2 1 357 . 1 1 A 77 77 LYS H H 77 7.584 8.769 -1.185 2 1 358 . 1 1 A 77 77 LYS CA C 77 55.916 55.190 0.726 2 1 359 . 1 1 A 77 77 LYS CB C 77 32.740 32.776 -0.036 2 1 360 . 1 1 A 77 77 LYS N N 77 120.158 124.311 -4.153 2 1 361 . 1 1 A 79 79 THR H H 79 7.762 8.530 -0.768 2 1 362 . 1 1 A 79 79 THR C C 79 172.827 173.481 -0.654 2 1 363 . 1 1 A 79 79 THR CA C 79 60.924 62.968 -2.044 2 1 364 . 1 1 A 79 79 THR CB C 79 69.483 68.534 0.949 2 1 365 . 1 1 A 79 79 THR N N 79 113.623 116.954 -3.331 2 1 366 . 1 1 A 80 80 ASP H H 80 8.436 8.525 -0.089 2 1 367 . 1 1 A 80 80 ASP C C 80 175.327 175.732 -0.405 2 1 368 . 1 1 A 80 80 ASP CA C 80 52.926 53.575 -0.649 2 1 369 . 1 1 A 80 80 ASP CB C 80 41.032 42.155 -1.123 2 1 370 . 1 1 A 80 80 ASP N N 80 123.780 127.446 -3.666 2 1 371 . 1 1 A 81 81 SER H H 81 8.766 8.699 0.067 2 1 372 . 1 1 A 81 81 SER C C 81 174.727 175.407 -0.680 2 1 373 . 1 1 A 81 81 SER CA C 81 58.642 57.082 1.560 2 1 374 . 1 1 A 81 81 SER CB C 81 63.388 65.541 -2.153 2 1 375 . 1 1 A 81 81 SER N N 81 119.364 114.034 5.330 2 1 376 . 1 1 A 82 82 GLU H H 82 8.546 9.040 -0.494 2 1 377 . 1 1 A 82 82 GLU C C 82 177.927 178.351 -0.424 2 1 378 . 1 1 A 82 82 GLU CA C 82 58.944 59.689 -0.745 2 1 379 . 1 1 A 82 82 GLU CB C 82 28.421 29.254 -0.833 2 1 380 . 1 1 A 82 82 GLU N N 82 122.157 123.462 -1.305 2 1 381 . 1 1 A 83 83 GLU H H 83 8.185 8.526 -0.341 2 1 382 . 1 1 A 83 83 GLU C C 83 178.027 179.367 -1.340 2 1 383 . 1 1 A 83 83 GLU CA C 83 58.519 59.213 -0.694 2 1 384 . 1 1 A 83 83 GLU CB C 83 28.367 29.425 -1.058 2 1 385 . 1 1 A 83 83 GLU N N 83 119.232 119.281 -0.049 2 1 386 . 1 1 A 84 84 GLU H H 84 7.891 8.053 -0.162 2 1 387 . 1 1 A 84 84 GLU C C 84 179.327 179.257 0.070 2 1 388 . 1 1 A 84 84 GLU CA C 84 58.734 59.547 -0.813 2 1 389 . 1 1 A 84 84 GLU CB C 84 28.520 29.140 -0.620 2 1 390 . 1 1 A 84 84 GLU N N 84 118.462 118.494 -0.032 2 1 391 . 1 1 A 85 85 ILE H H 85 8.091 8.000 0.091 2 1 392 . 1 1 A 85 85 ILE C C 85 177.127 178.451 -1.324 2 1 393 . 1 1 A 85 85 ILE CA C 85 64.797 65.662 -0.865 2 1 394 . 1 1 A 85 85 ILE CB C 85 36.341 37.538 -1.197 2 1 395 . 1 1 A 85 85 ILE N N 85 121.736 121.347 0.389 2 1 396 . 1 1 A 86 86 ARG H H 86 8.232 7.810 0.422 2 1 397 . 1 1 A 86 86 ARG C C 86 177.527 178.815 -1.288 2 1 398 . 1 1 A 86 86 ARG CA C 86 59.492 59.711 -0.219 2 1 399 . 1 1 A 86 86 ARG CB C 86 29.034 29.722 -0.688 2 1 400 . 1 1 A 86 86 ARG N N 86 121.784 121.618 0.166 2 1 401 . 1 1 A 87 87 GLU H H 87 8.267 8.548 -0.281 2 1 402 . 1 1 A 87 87 GLU C C 87 178.727 178.816 -0.089 2 1 403 . 1 1 A 87 87 GLU CA C 87 58.013 59.303 -1.290 2 1 404 . 1 1 A 87 87 GLU CB C 87 28.288 29.713 -1.425 2 1 405 . 1 1 A 87 87 GLU N N 87 117.943 119.352 -1.409 2 1 406 . 1 1 A 88 88 ALA H H 88 8.138 7.812 0.326 2 1 407 . 1 1 A 88 88 ALA C C 88 178.627 180.384 -1.757 2 1 408 . 1 1 A 88 88 ALA CA C 88 54.568 54.795 -0.227 2 1 409 . 1 1 A 88 88 ALA CB C 88 17.643 18.459 -0.816 2 1 410 . 1 1 A 88 88 ALA N N 88 122.297 122.698 -0.401 2 1 411 . 1 1 A 89 89 PHE H H 89 8.560 7.804 0.756 2 1 412 . 1 1 A 89 89 PHE C C 89 176.127 177.180 -1.053 2 1 413 . 1 1 A 89 89 PHE CA C 89 61.705 61.564 0.141 2 1 414 . 1 1 A 89 89 PHE CB C 89 37.910 38.672 -0.762 2 1 415 . 1 1 A 89 89 PHE N N 89 119.065 119.660 -0.595 2 1 416 . 1 1 A 90 90 ARG H H 90 7.590 7.556 0.034 2 1 417 . 1 1 A 90 90 ARG C C 90 176.827 178.214 -1.387 2 1 418 . 1 1 A 90 90 ARG CA C 90 58.054 58.271 -0.217 2 1 419 . 1 1 A 90 90 ARG CB C 90 29.432 29.958 -0.526 2 1 420 . 1 1 A 90 90 ARG N N 90 115.321 117.656 -2.335 2 1 421 . 1 1 A 91 91 VAL H H 91 7.292 7.303 -0.011 2 1 422 . 1 1 A 91 91 VAL C C 91 175.927 177.721 -1.794 2 1 423 . 1 1 A 91 91 VAL CA C 91 64.871 65.647 -0.776 2 1 424 . 1 1 A 91 91 VAL CB C 91 30.322 31.571 -1.249 2 1 425 . 1 1 A 91 91 VAL N N 91 117.850 119.415 -1.565 2 1 426 . 1 1 A 92 92 PHE H H 92 6.975 7.138 -0.163 2 1 427 . 1 1 A 92 92 PHE C C 92 175.927 175.977 -0.050 2 1 428 . 1 1 A 92 92 PHE CA C 92 59.842 61.276 -1.434 2 1 429 . 1 1 A 92 92 PHE CB C 92 40.466 39.194 1.272 2 1 430 . 1 1 A 92 92 PHE N N 92 113.572 117.709 -4.137 2 1 431 . 1 1 A 93 93 ASP H H 93 7.856 7.302 0.554 2 1 432 . 1 1 A 93 93 ASP C C 93 176.827 176.634 0.193 2 1 433 . 1 1 A 93 93 ASP CA C 93 51.250 52.534 -1.284 2 1 434 . 1 1 A 93 93 ASP CB C 93 37.585 39.862 -2.277 2 1 435 . 1 1 A 93 93 ASP N N 93 116.287 119.165 -2.878 2 1 436 . 1 1 A 94 94 LYS H H 94 7.731 8.391 -0.660 2 1 437 . 1 1 A 94 94 LYS C C 94 177.527 177.124 0.403 2 1 438 . 1 1 A 94 94 LYS CA C 94 58.155 57.648 0.507 2 1 439 . 1 1 A 94 94 LYS CB C 94 31.582 32.069 -0.487 2 1 440 . 1 1 A 94 94 LYS N N 94 125.623 125.127 0.496 2 1 441 . 1 1 A 95 95 ASP H H 95 8.154 7.895 0.259 2 1 442 . 1 1 A 95 95 ASP C C 95 176.927 176.711 0.216 2 1 443 . 1 1 A 95 95 ASP CA C 95 52.179 53.988 -1.809 2 1 444 . 1 1 A 95 95 ASP CB C 95 38.576 41.592 -3.016 2 1 445 . 1 1 A 95 95 ASP N N 95 114.063 117.211 -3.148 2 1 446 . 1 1 A 96 96 GLY H H 96 7.762 8.020 -0.258 2 1 447 . 1 1 A 96 96 GLY C C 96 174.327 175.321 -0.994 2 1 448 . 1 1 A 96 96 GLY CA C 96 46.238 47.112 -0.874 2 1 449 . 1 1 A 96 96 GLY N N 96 109.195 107.958 1.237 2 1 450 . 1 1 A 97 97 ASN H H 97 8.311 8.121 0.190 2 1 451 . 1 1 A 97 97 ASN C C 97 175.327 176.466 -1.139 2 1 452 . 1 1 A 97 97 ASN CA C 97 51.726 52.516 -0.790 2 1 453 . 1 1 A 97 97 ASN CB C 97 37.122 38.292 -1.170 2 1 454 . 1 1 A 97 97 ASN N N 97 119.619 118.435 1.184 2 1 455 . 1 1 A 98 98 GLY H H 98 10.647 8.872 1.775 2 1 456 . 1 1 A 98 98 GLY C C 98 172.027 173.293 -1.266 2 1 457 . 1 1 A 98 98 GLY CA C 98 44.077 45.259 -1.182 2 1 458 . 1 1 A 98 98 GLY N N 98 112.821 110.961 1.860 2 1 459 . 1 1 A 99 99 TYR H H 99 7.652 7.754 -0.102 2 1 460 . 1 1 A 99 99 TYR C C 99 173.927 174.856 -0.929 2 1 461 . 1 1 A 99 99 TYR CA C 99 55.364 56.838 -1.474 2 1 462 . 1 1 A 99 99 TYR CB C 99 41.846 41.903 -0.057 2 1 463 . 1 1 A 99 99 TYR N N 99 116.207 117.976 -1.769 2 1 464 . 1 1 A 100 100 ILE H H 100 10.113 9.109 1.004 2 1 465 . 1 1 A 100 100 ILE C C 100 174.627 176.263 -1.636 2 1 466 . 1 1 A 100 100 ILE CA C 100 60.494 60.648 -0.154 2 1 467 . 1 1 A 100 100 ILE CB C 100 38.400 39.241 -0.841 2 1 468 . 1 1 A 100 100 ILE N N 100 127.346 124.819 2.527 2 1 469 . 1 1 A 101 101 SER H H 101 8.940 8.998 -0.058 2 1 470 . 1 1 A 101 101 SER C C 101 174.427 175.607 -1.180 2 1 471 . 1 1 A 101 101 SER CA C 101 54.898 56.459 -1.561 2 1 472 . 1 1 A 101 101 SER CB C 101 66.143 66.194 -0.051 2 1 473 . 1 1 A 101 101 SER N N 101 123.763 123.335 0.428 2 1 474 . 1 1 A 102 102 ALA H H 102 9.206 9.033 0.173 2 1 475 . 1 1 A 102 102 ALA C C 102 178.427 179.724 -1.297 2 1 476 . 1 1 A 102 102 ALA CA C 102 55.057 55.924 -0.867 2 1 477 . 1 1 A 102 102 ALA CB C 102 16.975 17.829 -0.854 2 1 478 . 1 1 A 102 102 ALA N N 102 122.975 123.512 -0.537 2 1 479 . 1 1 A 103 103 ALA H H 103 8.187 8.155 0.032 2 1 480 . 1 1 A 103 103 ALA C C 103 180.727 180.332 0.395 2 1 481 . 1 1 A 103 103 ALA CA C 103 54.325 55.371 -1.046 2 1 482 . 1 1 A 103 103 ALA CB C 103 17.321 18.388 -1.067 2 1 483 . 1 1 A 103 103 ALA N N 103 118.349 119.560 -1.211 2 1 484 . 1 1 A 104 104 GLU H H 104 7.856 7.615 0.241 2 1 485 . 1 1 A 104 104 GLU C C 104 178.427 179.277 -0.850 2 1 486 . 1 1 A 104 104 GLU CA C 104 58.585 59.590 -1.005 2 1 487 . 1 1 A 104 104 GLU CB C 104 28.089 29.485 -1.396 2 1 488 . 1 1 A 104 104 GLU N N 104 120.628 118.127 2.501 2 1 489 . 1 1 A 105 105 LEU H H 105 8.430 8.063 0.367 2 1 490 . 1 1 A 105 105 LEU C C 105 177.527 178.465 -0.938 2 1 491 . 1 1 A 105 105 LEU CA C 105 57.879 58.000 -0.121 2 1 492 . 1 1 A 105 105 LEU CB C 105 40.931 41.479 -0.548 2 1 493 . 1 1 A 105 105 LEU N N 105 120.955 121.205 -0.250 2 1 494 . 1 1 A 106 106 ARG H H 106 8.656 8.317 0.339 2 1 495 . 1 1 A 106 106 ARG C C 106 177.927 178.806 -0.879 2 1 496 . 1 1 A 106 106 ARG CA C 106 59.270 59.471 -0.201 2 1 497 . 1 1 A 106 106 ARG CB C 106 29.366 29.778 -0.412 2 1 498 . 1 1 A 106 106 ARG N N 106 117.850 118.964 -1.114 2 1 499 . 1 1 A 107 107 HIS H H 107 7.948 7.942 0.006 2 1 500 . 1 1 A 107 107 HIS C C 107 176.927 177.277 -0.350 2 1 501 . 1 1 A 107 107 HIS CA C 107 59.375 59.846 -0.471 2 1 502 . 1 1 A 107 107 HIS CB C 107 29.788 30.836 -1.048 2 1 503 . 1 1 A 107 107 HIS N N 107 119.760 119.753 0.007 2 1 504 . 1 1 A 108 108 VAL H H 108 7.880 8.182 -0.302 2 1 505 . 1 1 A 108 108 VAL C C 108 177.527 178.139 -0.612 2 1 506 . 1 1 A 108 108 VAL CA C 108 66.028 66.298 -0.270 2 1 507 . 1 1 A 108 108 VAL CB C 108 30.626 31.422 -0.796 2 1 508 . 1 1 A 108 108 VAL N N 108 118.548 119.039 -0.491 2 1 509 . 1 1 A 109 109 MET H H 109 8.342 8.068 0.274 2 1 510 . 1 1 A 109 109 MET C C 109 178.527 178.947 -0.420 2 1 511 . 1 1 A 109 109 MET CA C 109 56.413 58.508 -2.095 2 1 512 . 1 1 A 109 109 MET CB C 109 28.724 33.579 -4.855 2 1 513 . 1 1 A 109 109 MET N N 109 115.386 117.894 -2.508 2 1 514 . 1 1 A 110 110 THR H H 110 8.238 7.920 0.318 2 1 515 . 1 1 A 110 110 THR C C 110 177.627 175.912 1.715 2 1 516 . 1 1 A 110 110 THR CA C 110 65.796 66.529 -0.733 2 1 517 . 1 1 A 110 110 THR CB C 110 67.720 68.201 -0.481 2 1 518 . 1 1 A 110 110 THR N N 110 116.118 115.619 0.499 2 1 519 . 1 1 A 111 111 ASN H H 111 7.634 8.030 -0.396 2 1 520 . 1 1 A 111 111 ASN C C 111 175.627 177.747 -2.120 2 1 521 . 1 1 A 111 111 ASN CA C 111 55.016 56.427 -1.411 2 1 522 . 1 1 A 111 111 ASN CB C 111 36.858 38.352 -1.494 2 1 523 . 1 1 A 111 111 ASN N N 111 122.999 119.066 3.933 2 1 524 . 1 1 A 112 112 LEU H H 112 7.699 7.546 0.153 2 1 525 . 1 1 A 112 112 LEU C C 112 175.527 176.906 -1.379 2 1 526 . 1 1 A 112 112 LEU CA C 112 54.282 55.754 -1.472 2 1 527 . 1 1 A 112 112 LEU CB C 112 40.950 42.624 -1.674 2 1 528 . 1 1 A 112 112 LEU N N 112 118.952 116.861 2.091 2 1 529 . 1 1 A 113 113 GLY H H 113 7.602 7.506 0.096 2 1 530 . 1 1 A 113 113 GLY C C 113 173.627 174.080 -0.453 2 1 531 . 1 1 A 113 113 GLY CA C 113 44.279 44.862 -0.583 2 1 532 . 1 1 A 113 113 GLY N N 113 105.566 105.483 0.083 2 1 533 . 1 1 A 114 114 GLU H H 114 7.934 7.881 0.053 2 1 534 . 1 1 A 114 114 GLU C C 114 174.327 175.356 -1.029 2 1 535 . 1 1 A 114 114 GLU CA C 114 54.117 55.408 -1.291 2 1 536 . 1 1 A 114 114 GLU CB C 114 29.685 30.892 -1.207 2 1 537 . 1 1 A 114 114 GLU N N 114 120.294 121.699 -1.405 2 1 538 . 1 1 A 115 115 LYS H H 115 8.568 8.910 -0.342 2 1 539 . 1 1 A 115 115 LYS C C 115 174.627 176.264 -1.637 2 1 540 . 1 1 A 115 115 LYS CA C 115 54.568 56.258 -1.690 2 1 541 . 1 1 A 115 115 LYS CB C 115 30.837 33.001 -2.164 2 1 542 . 1 1 A 115 115 LYS N N 115 125.563 128.343 -2.780 2 1 543 . 1 1 A 116 116 LEU H H 116 7.966 8.804 -0.838 2 1 544 . 1 1 A 116 116 LEU C C 116 177.527 175.915 1.612 2 1 545 . 1 1 A 116 116 LEU CA C 116 53.053 53.162 -0.109 2 1 546 . 1 1 A 116 116 LEU CB C 116 43.919 46.049 -2.130 2 1 547 . 1 1 A 116 116 LEU N N 116 124.621 120.456 4.165 2 1 548 . 1 1 A 117 117 THR H H 117 9.220 8.516 0.704 2 1 549 . 1 1 A 117 117 THR C C 117 174.727 175.446 -0.719 2 1 550 . 1 1 A 117 117 THR CA C 117 59.801 60.499 -0.698 2 1 551 . 1 1 A 117 117 THR CB C 117 70.452 71.772 -1.320 2 1 552 . 1 1 A 117 117 THR N N 117 114.845 111.703 3.142 2 1 553 . 1 1 A 118 118 ASP H H 118 8.875 8.896 -0.021 2 1 554 . 1 1 A 118 118 ASP C C 118 177.827 178.480 -0.653 2 1 555 . 1 1 A 118 118 ASP CA C 118 57.259 57.882 -0.623 2 1 556 . 1 1 A 118 118 ASP CB C 118 38.584 40.410 -1.826 2 1 557 . 1 1 A 118 118 ASP N N 118 121.055 121.784 -0.729 2 1 558 . 1 1 A 119 119 GLU H H 119 8.599 8.320 0.279 2 1 559 . 1 1 A 119 119 GLU C C 119 178.427 179.407 -0.980 2 1 560 . 1 1 A 119 119 GLU CA C 119 59.159 59.307 -0.148 2 1 561 . 1 1 A 119 119 GLU CB C 119 28.160 29.246 -1.086 2 1 562 . 1 1 A 119 119 GLU N N 119 119.115 119.964 -0.849 2 1 563 . 1 1 A 120 120 GLU H H 120 7.685 7.723 -0.038 2 1 564 . 1 1 A 120 120 GLU C C 120 178.927 179.780 -0.853 2 1 565 . 1 1 A 120 120 GLU CA C 120 58.350 58.951 -0.601 2 1 566 . 1 1 A 120 120 GLU CB C 120 29.776 29.454 0.322 2 1 567 . 1 1 A 120 120 GLU N N 120 120.381 119.580 0.801 2 1 568 . 1 1 A 121 121 VAL H H 121 7.990 7.407 0.583 2 1 569 . 1 1 A 121 121 VAL C C 121 178.827 177.948 0.879 2 1 570 . 1 1 A 121 121 VAL CA C 121 66.201 66.702 -0.501 2 1 571 . 1 1 A 121 121 VAL CB C 121 30.482 31.587 -1.105 2 1 572 . 1 1 A 121 121 VAL N N 121 120.701 121.518 -0.817 2 1 573 . 1 1 A 122 122 ASP H H 122 7.813 8.064 -0.251 2 1 574 . 1 1 A 122 122 ASP C C 122 178.727 179.267 -0.540 2 1 575 . 1 1 A 122 122 ASP CA C 122 56.761 57.543 -0.782 2 1 576 . 1 1 A 122 122 ASP CB C 122 39.680 40.331 -0.651 2 1 577 . 1 1 A 122 122 ASP N N 122 119.766 120.619 -0.853 2 1 578 . 1 1 A 123 123 GLU H H 123 8.013 7.696 0.317 2 1 579 . 1 1 A 123 123 GLU C C 123 177.727 179.521 -1.794 2 1 580 . 1 1 A 123 123 GLU CA C 123 58.539 59.386 -0.847 2 1 581 . 1 1 A 123 123 GLU CB C 123 28.709 29.329 -0.620 2 1 582 . 1 1 A 123 123 GLU N N 123 119.512 120.256 -0.744 2 1 583 . 1 1 A 124 124 MET H H 124 7.760 7.901 -0.141 2 1 584 . 1 1 A 124 124 MET C C 124 178.227 179.043 -0.816 2 1 585 . 1 1 A 124 124 MET CA C 124 59.157 58.264 0.893 2 1 586 . 1 1 A 124 124 MET CB C 124 28.592 31.660 -3.068 2 1 587 . 1 1 A 124 124 MET N N 124 119.642 119.122 0.520 2 1 588 . 1 1 A 125 125 ILE H H 125 8.011 7.867 0.144 2 1 589 . 1 1 A 125 125 ILE C C 125 178.527 178.909 -0.382 2 1 590 . 1 1 A 125 125 ILE CA C 125 62.447 64.545 -2.098 2 1 591 . 1 1 A 125 125 ILE CB C 125 34.855 37.590 -2.735 2 1 592 . 1 1 A 125 125 ILE N N 125 119.272 120.457 -1.185 2 1 593 . 1 1 A 126 126 ARG H H 126 8.253 7.706 0.547 2 1 594 . 1 1 A 126 126 ARG C C 126 177.627 179.005 -1.378 2 1 595 . 1 1 A 126 126 ARG CA C 126 58.816 58.598 0.218 2 1 596 . 1 1 A 126 126 ARG CB C 126 29.456 30.167 -0.711 2 1 597 . 1 1 A 126 126 ARG N N 126 117.956 119.667 -1.711 2 1 598 . 1 1 A 127 127 GLU H H 127 7.906 7.771 0.135 2 1 599 . 1 1 A 127 127 GLU C C 127 176.327 178.146 -1.819 2 1 600 . 1 1 A 127 127 GLU CA C 127 58.127 59.166 -1.039 2 1 601 . 1 1 A 127 127 GLU CB C 127 29.136 29.454 -0.318 2 1 602 . 1 1 A 127 127 GLU N N 127 116.947 119.721 -2.774 2 1 603 . 1 1 A 128 128 ALA H H 128 7.198 7.530 -0.332 2 1 604 . 1 1 A 128 128 ALA C C 128 176.627 177.255 -0.628 2 1 605 . 1 1 A 128 128 ALA CA C 128 50.445 51.915 -1.470 2 1 606 . 1 1 A 128 128 ALA CB C 128 21.324 20.168 1.156 2 1 607 . 1 1 A 128 128 ALA N N 128 117.369 119.566 -2.197 2 1 608 . 1 1 A 129 129 ASP H H 129 7.988 7.656 0.332 2 1 609 . 1 1 A 129 129 ASP C C 129 175.027 175.815 -0.788 2 1 610 . 1 1 A 129 129 ASP CA C 129 53.636 54.716 -1.080 2 1 611 . 1 1 A 129 129 ASP CB C 129 39.874 41.622 -1.748 2 1 612 . 1 1 A 129 129 ASP N N 129 118.092 118.545 -0.453 2 1 613 . 1 1 A 130 130 ILE H H 130 8.201 8.613 -0.412 2 1 614 . 1 1 A 130 130 ILE C C 130 177.027 176.635 0.392 2 1 615 . 1 1 A 130 130 ILE CA C 130 62.585 61.715 0.870 2 1 616 . 1 1 A 130 130 ILE CB C 130 37.635 38.860 -1.225 2 1 617 . 1 1 A 130 130 ILE N N 130 128.007 126.053 1.954 2 1 618 . 1 1 A 131 131 ASP H H 131 8.279 7.445 0.834 2 1 619 . 1 1 A 131 131 ASP C C 131 177.427 176.528 0.899 2 1 620 . 1 1 A 131 131 ASP CA C 131 53.086 53.926 -0.840 2 1 621 . 1 1 A 131 131 ASP CB C 131 38.896 41.747 -2.851 2 1 622 . 1 1 A 131 131 ASP N N 131 116.628 119.201 -2.573 2 1 623 . 1 1 A 132 132 GLY H H 132 7.609 8.013 -0.404 2 1 624 . 1 1 A 132 132 GLY C C 132 174.427 175.124 -0.697 2 1 625 . 1 1 A 132 132 GLY CA C 132 46.493 46.856 -0.363 2 1 626 . 1 1 A 132 132 GLY N N 132 108.488 108.152 0.336 2 1 627 . 1 1 A 133 133 ASP H H 133 8.326 7.988 0.338 2 1 628 . 1 1 A 133 133 ASP C C 133 176.727 177.553 -0.826 2 1 629 . 1 1 A 133 133 ASP CA C 133 52.841 53.317 -0.476 2 1 630 . 1 1 A 133 133 ASP CB C 133 39.070 40.571 -1.501 2 1 631 . 1 1 A 133 133 ASP N N 133 120.674 120.298 0.376 2 1 632 . 1 1 A 134 134 GLY H H 134 10.109 8.917 1.192 2 1 633 . 1 1 A 134 134 GLY C C 134 171.927 173.533 -1.606 2 1 634 . 1 1 A 134 134 GLY CA C 134 44.908 45.424 -0.516 2 1 635 . 1 1 A 134 134 GLY N N 134 112.451 111.258 1.193 2 1 636 . 1 1 A 135 135 GLN H H 135 7.919 7.941 -0.022 2 1 637 . 1 1 A 135 135 GLN C C 135 174.327 174.792 -0.465 2 1 638 . 1 1 A 135 135 GLN CA C 135 52.355 54.147 -1.792 2 1 639 . 1 1 A 135 135 GLN CB C 135 31.560 31.364 0.196 2 1 640 . 1 1 A 135 135 GLN N N 135 115.245 119.509 -4.264 2 1 641 . 1 1 A 136 136 VAL H H 136 9.063 8.869 0.194 2 1 642 . 1 1 A 136 136 VAL C C 136 175.027 176.209 -1.182 2 1 643 . 1 1 A 136 136 VAL CA C 136 60.841 61.530 -0.689 2 1 644 . 1 1 A 136 136 VAL CB C 136 33.096 33.389 -0.293 2 1 645 . 1 1 A 136 136 VAL N N 136 125.523 123.317 2.206 2 1 646 . 1 1 A 137 137 ASN H H 137 9.408 9.056 0.352 2 1 647 . 1 1 A 137 137 ASN C C 137 174.027 174.905 -0.878 2 1 648 . 1 1 A 137 137 ASN CA C 137 50.172 51.617 -1.445 2 1 649 . 1 1 A 137 137 ASN CB C 137 37.607 38.928 -1.321 2 1 650 . 1 1 A 137 137 ASN N N 137 129.089 127.472 1.617 2 1 651 . 1 1 A 138 138 TYR H H 138 8.293 8.681 -0.388 2 1 652 . 1 1 A 138 138 TYR C C 138 175.327 177.392 -2.065 2 1 653 . 1 1 A 138 138 TYR CA C 138 61.519 61.655 -0.136 2 1 654 . 1 1 A 138 138 TYR CB C 138 36.631 38.024 -1.393 2 1 655 . 1 1 A 138 138 TYR N N 138 118.577 119.528 -0.951 2 1 656 . 1 1 A 139 139 GLU H H 139 8.013 8.267 -0.254 2 1 657 . 1 1 A 139 139 GLU C C 139 179.527 179.400 0.127 2 1 658 . 1 1 A 139 139 GLU CA C 139 59.376 60.074 -0.698 2 1 659 . 1 1 A 139 139 GLU CB C 139 27.940 29.618 -1.678 2 1 660 . 1 1 A 139 139 GLU N N 139 118.351 119.080 -0.729 2 1 661 . 1 1 A 140 140 GLU H H 140 8.664 7.894 0.770 2 1 662 . 1 1 A 140 140 GLU C C 140 178.427 178.900 -0.473 2 1 663 . 1 1 A 140 140 GLU CA C 140 57.843 58.504 -0.661 2 1 664 . 1 1 A 140 140 GLU CB C 140 28.540 29.584 -1.044 2 1 665 . 1 1 A 140 140 GLU N N 140 119.622 119.678 -0.056 2 1 666 . 1 1 A 141 141 PHE H H 141 8.483 7.801 0.682 2 1 667 . 1 1 A 141 141 PHE C C 141 175.927 176.693 -0.766 2 1 668 . 1 1 A 141 141 PHE CA C 141 61.100 61.189 -0.089 2 1 669 . 1 1 A 141 141 PHE CB C 141 39.514 39.156 0.358 2 1 670 . 1 1 A 141 141 PHE N N 141 124.431 122.799 1.632 2 1 671 . 1 1 A 142 142 VAL H H 142 8.613 7.757 0.856 2 1 672 . 1 1 A 142 142 VAL C C 142 176.527 177.721 -1.194 2 1 673 . 1 1 A 142 142 VAL CA C 142 66.193 65.980 0.213 2 1 674 . 1 1 A 142 142 VAL CB C 142 30.418 31.026 -0.608 2 1 675 . 1 1 A 142 142 VAL N N 142 118.761 119.312 -0.551 2 1 676 . 1 1 A 143 143 GLN H H 143 7.827 7.795 0.032 2 1 677 . 1 1 A 143 143 GLN C C 143 177.327 177.761 -0.434 2 1 678 . 1 1 A 143 143 GLN CA C 143 58.207 58.840 -0.633 2 1 679 . 1 1 A 143 143 GLN CB C 143 26.865 28.014 -1.149 2 1 680 . 1 1 A 143 143 GLN N N 143 119.122 119.894 -0.772 2 1 681 . 1 1 A 144 144 MET H H 144 7.480 8.211 -0.731 2 1 682 . 1 1 A 144 144 MET C C 144 177.127 177.058 0.069 2 1 683 . 1 1 A 144 144 MET CA C 144 56.977 57.325 -0.348 2 1 684 . 1 1 A 144 144 MET CB C 144 30.013 32.147 -2.134 2 1 685 . 1 1 A 144 144 MET N N 144 118.371 116.801 1.570 2 1 686 . 1 1 A 145 145 MET H H 145 7.464 7.636 -0.172 2 1 687 . 1 1 A 145 145 MET C C 145 177.227 177.389 -0.162 2 1 688 . 1 1 A 145 145 MET CA C 145 54.042 56.719 -2.677 2 1 689 . 1 1 A 145 145 MET CB C 145 29.558 32.936 -3.378 2 1 690 . 1 1 A 145 145 MET N N 145 114.825 118.428 -3.603 2 1 691 . 1 1 A 146 146 THR H H 146 7.668 7.193 0.475 2 1 692 . 1 1 A 146 146 THR C C 146 173.627 174.799 -1.172 2 1 693 . 1 1 A 146 146 THR CA C 146 61.235 62.130 -0.895 2 1 694 . 1 1 A 146 146 THR CB C 146 69.604 69.932 -0.328 2 1 695 . 1 1 A 146 146 THR N N 146 109.676 107.023 2.653 2 1 696 . 1 1 A 147 147 ALA H H 147 7.439 7.330 0.109 2 1 697 . 1 1 A 147 147 ALA C C 147 176.027 175.936 0.091 2 1 698 . 1 1 A 147 147 ALA CA C 147 52.043 51.601 0.442 2 1 699 . 1 1 A 147 147 ALA CB C 147 18.089 21.819 -3.730 2 1 700 . 1 1 A 147 147 ALA N N 147 126.765 121.403 5.362 2 stop_ save_