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
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