data_11062_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11062
_Entry.PDB_ID 2RQ0
_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 10
_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 3 . 1 1 1 A 2 2 SER H H 24 8.695 8.803 -0.108 1
1 4 . 1 1 1 A 2 2 SER HA H 24 4.531 4.912 -0.381 1
1 6 . 1 1 1 A 2 2 SER CA C 24 58.296 57.626 0.670 1
1 7 . 1 1 1 A 2 2 SER CB C 24 63.897 65.832 -1.935 1
1 8 . 1 1 1 A 2 2 SER N N 24 115.751 115.434 0.317 1
1 9 . 1 1 1 A 3 3 GLN H H 25 8.618 9.446 -0.828 1
1 10 . 1 1 1 A 3 3 GLN HA H 25 4.367 4.244 0.123 1
1 14 . 1 1 1 A 3 3 GLN CA C 25 56.059 57.306 -1.247 1
1 15 . 1 1 1 A 3 3 GLN CB C 25 29.248 28.469 0.779 1
1 17 . 1 1 1 A 3 3 GLN N N 25 122.346 123.433 -1.087 1
1 18 . 1 1 1 A 4 4 GLY H H 26 8.431 8.784 -0.353 1
1 19 . 1 1 1 A 4 4 GLY HA2 H 26 3.904 4.018 -0.114 1
1 20 . 1 1 1 A 4 4 GLY CA C 26 45.171 45.430 -0.259 1
1 21 . 1 1 1 A 4 4 GLY N N 26 109.885 113.905 -4.020 1
1 22 . 1 1 1 A 5 5 HIS H H 27 8.342 7.871 0.471 1
1 23 . 1 1 1 A 5 5 HIS HA H 27 4.750 4.770 -0.020 1
1 27 . 1 1 1 A 5 5 HIS CA C 27 54.946 55.914 -0.968 1
1 28 . 1 1 1 A 5 5 HIS CB C 27 29.344 30.757 -1.413 1
1 30 . 1 1 1 A 5 5 HIS N N 27 117.765 119.764 -1.999 1
1 31 . 1 1 1 A 6 6 ASP H H 28 8.518 8.680 -0.162 1
1 32 . 1 1 1 A 6 6 ASP HA H 28 4.735 4.843 -0.108 1
1 35 . 1 1 1 A 6 6 ASP CA C 28 54.282 53.119 1.163 1
1 36 . 1 1 1 A 6 6 ASP CB C 28 41.098 41.729 -0.631 1
1 37 . 1 1 1 A 6 6 ASP N N 28 121.910 125.356 -3.446 1
1 38 . 1 1 1 A 7 7 THR H H 29 8.250 7.888 0.362 1
1 39 . 1 1 1 A 7 7 THR HA H 29 4.343 4.159 0.184 1
1 44 . 1 1 1 A 7 7 THR CA C 29 62.124 64.686 -2.562 1
1 45 . 1 1 1 A 7 7 THR CB C 29 69.861 69.537 0.324 1
1 47 . 1 1 1 A 7 7 THR N N 29 116.925 114.486 2.439 1
1 48 . 1 1 1 A 8 8 VAL H H 30 7.798 7.748 0.050 1
1 49 . 1 1 1 A 8 8 VAL HA H 30 4.369 4.710 -0.341 1
1 54 . 1 1 1 A 8 8 VAL CA C 30 60.171 60.393 -0.222 1
1 55 . 1 1 1 A 8 8 VAL CB C 30 34.758 35.500 -0.742 1
1 57 . 1 1 1 A 8 8 VAL N N 30 119.837 118.920 0.917 1
1 58 . 1 1 1 A 9 9 GLN H H 31 8.472 8.018 0.454 1
1 59 . 1 1 1 A 9 9 GLN HA H 31 4.383 4.852 -0.469 1
1 63 . 1 1 1 A 9 9 GLN CA C 31 53.204 52.508 0.696 1
1 64 . 1 1 1 A 9 9 GLN CB C 31 29.785 29.385 0.400 1
1 66 . 1 1 1 A 9 9 GLN N N 31 127.192 126.285 0.907 1
1 68 . 1 1 1 A 10 10 PRO HA H 32 4.426 4.889 -0.463 1
1 73 . 1 1 1 A 10 10 PRO CA C 32 63.431 62.373 1.058 1
1 74 . 1 1 1 A 10 10 PRO CB C 32 32.297 32.094 0.203 1
1 77 . 1 1 1 A 11 11 ASN H H 33 8.972 8.988 -0.016 1
1 78 . 1 1 1 A 11 11 ASN HA H 33 4.539 5.129 -0.590 1
1 83 . 1 1 1 A 11 11 ASN CA C 33 53.563 53.168 0.395 1
1 84 . 1 1 1 A 11 11 ASN CB C 33 37.923 39.706 -1.783 1
1 85 . 1 1 1 A 11 11 ASN N N 33 119.013 120.868 -1.855 1
1 87 . 1 1 1 A 12 12 PHE H H 34 7.996 9.295 -1.299 1
1 88 . 1 1 1 A 12 12 PHE HA H 34 4.186 5.189 -1.003 1
1 91 . 1 1 1 A 12 12 PHE CA C 34 59.402 56.965 2.437 1
1 92 . 1 1 1 A 12 12 PHE CB C 34 39.516 41.185 -1.669 1
1 93 . 1 1 1 A 12 12 PHE N N 34 119.073 127.046 -7.973 1
1 94 . 1 1 1 A 13 13 GLN H H 35 7.402 8.516 -1.114 1
1 95 . 1 1 1 A 13 13 GLN HA H 35 4.303 4.901 -0.598 1
1 101 . 1 1 1 A 13 13 GLN CA C 35 53.093 53.910 -0.817 1
1 102 . 1 1 1 A 13 13 GLN CB C 35 29.598 32.074 -2.476 1
1 104 . 1 1 1 A 13 13 GLN N N 35 128.226 127.763 0.463 1
1 106 . 1 1 1 A 14 14 GLN H H 36 8.736 9.117 -0.381 1
1 107 . 1 1 1 A 14 14 GLN HA H 36 3.503 4.044 -0.541 1
1 110 . 1 1 1 A 14 14 GLN CA C 36 60.089 59.328 0.761 1
1 111 . 1 1 1 A 14 14 GLN CB C 36 29.596 28.297 1.299 1
1 113 . 1 1 1 A 14 14 GLN N N 36 124.702 124.531 0.171 1
1 114 . 1 1 1 A 15 15 ASP H H 37 8.628 8.199 0.429 1
1 115 . 1 1 1 A 15 15 ASP HA H 37 4.229 4.477 -0.248 1
1 118 . 1 1 1 A 15 15 ASP CA C 37 56.326 56.932 -0.606 1
1 119 . 1 1 1 A 15 15 ASP CB C 37 39.182 40.266 -1.084 1
1 120 . 1 1 1 A 15 15 ASP N N 37 114.027 120.271 -6.244 1
1 121 . 1 1 1 A 16 16 LYS H H 38 6.859 7.712 -0.853 1
1 122 . 1 1 1 A 16 16 LYS HA H 38 4.060 4.075 -0.015 1
1 124 . 1 1 1 A 16 16 LYS CA C 38 56.445 58.346 -1.901 1
1 125 . 1 1 1 A 16 16 LYS CB C 38 31.077 31.769 -0.692 1
1 129 . 1 1 1 A 16 16 LYS N N 38 116.638 120.831 -4.193 1
1 130 . 1 1 1 A 17 17 PHE H H 39 7.454 7.781 -0.327 1
1 131 . 1 1 1 A 17 17 PHE HA H 39 4.822 4.230 0.592 1
1 135 . 1 1 1 A 17 17 PHE CA C 39 57.301 61.008 -3.707 1
1 136 . 1 1 1 A 17 17 PHE CB C 39 42.087 39.683 2.404 1
1 137 . 1 1 1 A 17 17 PHE N N 39 119.221 120.996 -1.775 1
1 138 . 1 1 1 A 18 18 LEU H H 40 6.674 7.652 -0.978 1
1 139 . 1 1 1 A 18 18 LEU HA H 40 3.911 5.177 -1.266 1
1 149 . 1 1 1 A 18 18 LEU CA C 40 54.860 53.691 1.169 1
1 150 . 1 1 1 A 18 18 LEU CB C 40 42.421 44.532 -2.111 1
1 154 . 1 1 1 A 18 18 LEU N N 40 112.003 115.432 -3.429 1
1 155 . 1 1 1 A 19 19 GLY H H 41 8.876 7.954 0.922 1
1 156 . 1 1 1 A 19 19 GLY HA2 H 41 3.718 4.123 -0.405 1
1 157 . 1 1 1 A 19 19 GLY HA3 H 41 4.341 4.160 0.181 1
1 158 . 1 1 1 A 19 19 GLY CA C 41 44.093 45.941 -1.848 1
1 159 . 1 1 1 A 19 19 GLY N N 41 107.870 106.497 1.373 1
1 160 . 1 1 1 A 20 20 ARG H H 42 8.678 8.181 0.497 1
1 161 . 1 1 1 A 20 20 ARG HA H 42 4.495 4.569 -0.074 1
1 163 . 1 1 1 A 20 20 ARG CA C 42 56.924 55.951 0.973 1
1 164 . 1 1 1 A 20 20 ARG CB C 42 30.828 31.500 -0.672 1
1 165 . 1 1 1 A 20 20 ARG N N 42 121.873 119.683 2.190 1
1 166 . 1 1 1 A 21 21 TRP H H 43 9.320 9.316 0.004 1
1 167 . 1 1 1 A 21 21 TRP HA H 43 4.685 5.172 -0.487 1
1 171 . 1 1 1 A 21 21 TRP CA C 43 55.343 55.952 -0.609 1
1 172 . 1 1 1 A 21 21 TRP CB C 43 34.550 33.757 0.793 1
1 174 . 1 1 1 A 21 21 TRP N N 43 130.676 121.831 8.845 1
1 176 . 1 1 1 A 22 22 TYR H H 44 9.661 9.335 0.326 1
1 177 . 1 1 1 A 22 22 TYR HA H 44 5.607 5.149 0.458 1
1 182 . 1 1 1 A 22 22 TYR CA C 44 56.782 56.471 0.311 1
1 183 . 1 1 1 A 22 22 TYR CB C 44 39.975 41.402 -1.427 1
1 186 . 1 1 1 A 22 22 TYR N N 44 117.926 121.330 -3.404 1
1 187 . 1 1 1 A 23 23 SER H H 45 9.249 8.646 0.603 1
1 188 . 1 1 1 A 23 23 SER HA H 45 4.705 4.286 0.419 1
1 191 . 1 1 1 A 23 23 SER CA C 45 57.060 57.981 -0.921 1
1 192 . 1 1 1 A 23 23 SER CB C 45 62.668 61.359 1.309 1
1 193 . 1 1 1 A 23 23 SER N N 45 119.038 120.590 -1.552 1
1 194 . 1 1 1 A 24 24 ALA H H 46 8.724 8.583 0.141 1
1 195 . 1 1 1 A 24 24 ALA HA H 46 4.877 4.510 0.367 1
1 199 . 1 1 1 A 24 24 ALA CA C 46 51.953 51.139 0.814 1
1 200 . 1 1 1 A 24 24 ALA CB C 46 22.855 20.598 2.257 1
1 201 . 1 1 1 A 24 24 ALA N N 46 126.183 125.234 0.949 1
1 202 . 1 1 1 A 25 25 GLY H H 47 7.820 8.634 -0.814 1
1 203 . 1 1 1 A 25 25 GLY HA2 H 47 2.841 3.701 -0.860 1
1 204 . 1 1 1 A 25 25 GLY HA3 H 47 4.943 3.741 1.202 1
1 205 . 1 1 1 A 25 25 GLY CA C 47 45.285 44.793 0.492 1
1 206 . 1 1 1 A 25 25 GLY N N 47 107.738 107.054 0.684 1
1 207 . 1 1 1 A 26 26 LEU H H 48 9.082 8.203 0.879 1
1 208 . 1 1 1 A 26 26 LEU HA H 48 5.454 4.711 0.743 1
1 217 . 1 1 1 A 26 26 LEU CA C 48 54.277 53.370 0.907 1
1 218 . 1 1 1 A 26 26 LEU CB C 48 49.097 45.717 3.380 1
1 222 . 1 1 1 A 26 26 LEU N N 48 125.132 123.534 1.598 1
1 223 . 1 1 1 A 27 27 ALA H H 49 8.854 8.104 0.750 1
1 224 . 1 1 1 A 27 27 ALA HA H 49 5.571 5.439 0.132 1
1 228 . 1 1 1 A 27 27 ALA CA C 49 50.788 51.136 -0.348 1
1 229 . 1 1 1 A 27 27 ALA CB C 49 24.289 22.442 1.847 1
1 230 . 1 1 1 A 27 27 ALA N N 49 123.650 124.601 -0.951 1
1 231 . 1 1 1 A 28 28 SER H H 50 7.321 8.347 -1.026 1
1 232 . 1 1 1 A 28 28 SER HA H 50 4.625 4.850 -0.225 1
1 235 . 1 1 1 A 28 28 SER CA C 50 56.119 56.660 -0.541 1
1 236 . 1 1 1 A 28 28 SER CB C 50 64.886 66.418 -1.532 1
1 237 . 1 1 1 A 28 28 SER N N 50 113.858 116.415 -2.557 1
1 238 . 1 1 1 A 29 29 ASN H H 51 7.743 8.764 -1.021 1
1 239 . 1 1 1 A 29 29 ASN HA H 51 4.809 4.699 0.110 1
1 244 . 1 1 1 A 29 29 ASN CA C 51 51.651 56.348 -4.697 1
1 245 . 1 1 1 A 29 29 ASN CB C 51 37.860 38.241 -0.381 1
1 246 . 1 1 1 A 29 29 ASN N N 51 120.399 122.053 -1.654 1
1 248 . 1 1 1 A 30 30 SER H H 52 8.156 7.890 0.266 1
1 249 . 1 1 1 A 30 30 SER HA H 52 4.460 4.556 -0.096 1
1 252 . 1 1 1 A 30 30 SER CA C 52 58.432 57.197 1.235 1
1 253 . 1 1 1 A 30 30 SER CB C 52 64.745 64.939 -0.194 1
1 254 . 1 1 1 A 30 30 SER N N 52 116.012 115.565 0.447 1
1 255 . 1 1 1 A 31 31 SER H H 53 9.142 8.465 0.677 1
1 256 . 1 1 1 A 31 31 SER HA H 53 4.003 4.983 -0.980 1
1 258 . 1 1 1 A 31 31 SER N N 53 120.999 117.663 3.336 1
1 259 . 1 1 1 A 32 32 TRP H H 54 8.030 7.846 0.184 1
1 260 . 1 1 1 A 32 32 TRP HA H 54 4.329 4.319 0.010 1
1 265 . 1 1 1 A 32 32 TRP CA C 54 60.082 61.287 -1.205 1
1 266 . 1 1 1 A 32 32 TRP CB C 54 28.641 29.582 -0.941 1
1 268 . 1 1 1 A 32 32 TRP N N 54 121.477 123.091 -1.614 1
1 270 . 1 1 1 A 33 33 PHE H H 55 7.333 8.350 -1.017 1
1 271 . 1 1 1 A 33 33 PHE HA H 55 3.603 4.176 -0.573 1
1 275 . 1 1 1 A 33 33 PHE CA C 55 61.288 62.658 -1.370 1
1 276 . 1 1 1 A 33 33 PHE CB C 55 39.446 38.402 1.044 1
1 278 . 1 1 1 A 33 33 PHE N N 55 120.174 118.214 1.960 1
1 279 . 1 1 1 A 34 34 ARG H H 56 7.860 8.261 -0.401 1
1 280 . 1 1 1 A 34 34 ARG HA H 56 3.721 3.943 -0.222 1
1 285 . 1 1 1 A 34 34 ARG CA C 56 59.457 59.763 -0.306 1
1 286 . 1 1 1 A 34 34 ARG CB C 56 30.014 30.174 -0.160 1
1 289 . 1 1 1 A 34 34 ARG N N 56 117.452 119.004 -1.552 1
1 290 . 1 1 1 A 35 35 GLU H H 57 7.715 8.020 -0.305 1
1 291 . 1 1 1 A 35 35 GLU HA H 57 4.100 4.118 -0.018 1
1 295 . 1 1 1 A 35 35 GLU CA C 57 57.997 59.105 -1.108 1
1 296 . 1 1 1 A 35 35 GLU CB C 57 29.970 29.383 0.587 1
1 298 . 1 1 1 A 35 35 GLU N N 57 116.049 119.135 -3.086 1
1 299 . 1 1 1 A 36 36 LYS H H 58 7.614 8.010 -0.396 1
1 300 . 1 1 1 A 36 36 LYS HA H 58 4.225 4.302 -0.077 1
1 305 . 1 1 1 A 36 36 LYS CA C 58 55.355 57.797 -2.442 1
1 306 . 1 1 1 A 36 36 LYS CB C 58 32.528 32.706 -0.178 1
1 310 . 1 1 1 A 36 36 LYS N N 58 116.955 118.745 -1.790 1
1 311 . 1 1 1 A 37 37 LYS H H 59 7.546 8.045 -0.499 1
1 312 . 1 1 1 A 37 37 LYS HA H 59 3.403 3.986 -0.583 1
1 315 . 1 1 1 A 37 37 LYS CA C 59 59.757 59.192 0.565 1
1 316 . 1 1 1 A 37 37 LYS CB C 59 31.569 32.017 -0.448 1
1 320 . 1 1 1 A 37 37 LYS N N 59 118.551 120.192 -1.641 1
1 321 . 1 1 1 A 38 38 ALA H H 60 7.940 8.080 -0.140 1
1 322 . 1 1 1 A 38 38 ALA HA H 60 4.215 4.105 0.110 1
1 326 . 1 1 1 A 38 38 ALA CA C 60 53.352 54.470 -1.118 1
1 327 . 1 1 1 A 38 38 ALA CB C 60 19.247 18.519 0.728 1
1 328 . 1 1 1 A 38 38 ALA N N 60 118.227 121.224 -2.997 1
1 329 . 1 1 1 A 39 39 VAL H H 61 7.917 7.815 0.102 1
1 330 . 1 1 1 A 39 39 VAL HA H 61 4.466 4.129 0.337 1
1 338 . 1 1 1 A 39 39 VAL CA C 61 60.339 65.364 -5.025 1
1 339 . 1 1 1 A 39 39 VAL CB C 61 31.626 32.428 -0.802 1
1 342 . 1 1 1 A 39 39 VAL N N 61 111.011 114.718 -3.707 1
1 343 . 1 1 1 A 40 40 LEU H H 62 6.773 7.711 -0.938 1
1 344 . 1 1 1 A 40 40 LEU HA H 62 4.495 3.824 0.671 1
1 350 . 1 1 1 A 40 40 LEU CA C 62 54.357 55.788 -1.431 1
1 351 . 1 1 1 A 40 40 LEU CB C 62 43.272 40.813 2.459 1
1 353 . 1 1 1 A 40 40 LEU N N 62 121.749 122.336 -0.587 1
1 354 . 1 1 1 A 41 41 TYR H H 63 8.277 7.580 0.697 1
1 355 . 1 1 1 A 41 41 TYR HA H 63 4.837 5.590 -0.753 1
1 358 . 1 1 1 A 41 41 TYR CA C 63 56.696 55.871 0.825 1
1 359 . 1 1 1 A 41 41 TYR CB C 63 42.753 42.062 0.691 1
1 360 . 1 1 1 A 41 41 TYR N N 63 118.215 120.968 -2.753 1
1 361 . 1 1 1 A 42 42 MET H H 64 8.749 9.150 -0.401 1
1 362 . 1 1 1 A 42 42 MET HA H 64 4.324 5.284 -0.960 1
1 368 . 1 1 1 A 42 42 MET CA C 64 57.707 54.302 3.405 1
1 369 . 1 1 1 A 42 42 MET CB C 64 35.348 35.992 -0.644 1
1 372 . 1 1 1 A 42 42 MET N N 64 122.104 122.077 0.027 1
1 373 . 1 1 1 A 43 43 ALA H H 65 7.715 9.221 -1.506 1
1 374 . 1 1 1 A 43 43 ALA HA H 65 5.260 5.530 -0.270 1
1 378 . 1 1 1 A 43 43 ALA CA C 65 50.030 50.149 -0.119 1
1 379 . 1 1 1 A 43 43 ALA CB C 65 22.614 21.817 0.797 1
1 380 . 1 1 1 A 43 43 ALA N N 65 126.545 128.863 -2.318 1
1 381 . 1 1 1 A 44 44 LYS H H 66 8.405 9.642 -1.237 1
1 382 . 1 1 1 A 44 44 LYS HA H 66 4.790 4.672 0.118 1
1 385 . 1 1 1 A 44 44 LYS CA C 66 55.700 55.241 0.459 1
1 386 . 1 1 1 A 44 44 LYS CB C 66 34.887 33.258 1.629 1
1 387 . 1 1 1 A 44 44 LYS N N 66 122.330 122.601 -0.271 1
1 388 . 1 1 1 A 45 45 THR H H 67 9.398 8.809 0.589 1
1 389 . 1 1 1 A 45 45 THR HA H 67 5.067 5.366 -0.299 1
1 394 . 1 1 1 A 45 45 THR CA C 67 62.069 62.026 0.043 1
1 395 . 1 1 1 A 45 45 THR CB C 67 72.034 70.665 1.369 1
1 397 . 1 1 1 A 45 45 THR N N 67 125.471 120.287 5.184 1
1 398 . 1 1 1 A 46 46 VAL H H 68 9.026 8.669 0.357 1
1 399 . 1 1 1 A 46 46 VAL HA H 68 4.510 4.973 -0.463 1
1 404 . 1 1 1 A 46 46 VAL CA C 68 61.532 61.051 0.481 1
1 405 . 1 1 1 A 46 46 VAL CB C 68 33.257 34.818 -1.561 1
1 407 . 1 1 1 A 46 46 VAL N N 68 126.960 125.749 1.211 1
1 408 . 1 1 1 A 47 47 VAL H H 69 9.346 8.721 0.625 1
1 409 . 1 1 1 A 47 47 VAL HA H 69 4.700 4.556 0.144 1
1 417 . 1 1 1 A 47 47 VAL CA C 69 61.990 61.518 0.472 1
1 418 . 1 1 1 A 47 47 VAL CB C 69 32.495 32.531 -0.036 1
1 421 . 1 1 1 A 47 47 VAL N N 69 130.792 128.858 1.934 1
1 422 . 1 1 1 A 48 48 ALA H H 70 9.268 9.001 0.267 1
1 423 . 1 1 1 A 48 48 ALA HA H 70 5.121 4.605 0.516 1
1 427 . 1 1 1 A 48 48 ALA CA C 70 49.710 49.081 0.629 1
1 428 . 1 1 1 A 48 48 ALA CB C 70 21.349 21.611 -0.262 1
1 429 . 1 1 1 A 48 48 ALA N N 70 133.796 129.706 4.090 1
1 430 . 1 1 1 A 49 49 PRO HA H 71 4.842 4.689 0.153 1
1 433 . 1 1 1 A 49 49 PRO CA C 71 63.040 63.081 -0.041 1
1 434 . 1 1 1 A 49 49 PRO CB C 71 32.195 31.738 0.457 1
1 437 . 1 1 1 A 50 50 SER H H 72 8.025 9.015 -0.990 1
1 438 . 1 1 1 A 50 50 SER HA H 72 4.914 4.780 0.134 1
1 441 . 1 1 1 A 50 50 SER CA C 72 55.615 56.346 -0.731 1
1 442 . 1 1 1 A 50 50 SER CB C 72 65.439 66.610 -1.171 1
1 443 . 1 1 1 A 50 50 SER N N 72 117.492 114.661 2.831 1
1 444 . 1 1 1 A 51 51 THR H H 73 8.730 8.937 -0.207 1
1 445 . 1 1 1 A 51 51 THR HA H 73 4.145 4.174 -0.029 1
1 450 . 1 1 1 A 51 51 THR CA C 73 64.544 65.374 -0.830 1
1 451 . 1 1 1 A 51 51 THR CB C 73 68.785 68.522 0.263 1
1 453 . 1 1 1 A 51 51 THR N N 73 116.878 115.931 0.947 1
1 454 . 1 1 1 A 52 52 GLU H H 74 8.151 7.827 0.324 1
1 455 . 1 1 1 A 52 52 GLU HA H 74 4.475 4.456 0.019 1
1 459 . 1 1 1 A 52 52 GLU CA C 74 56.422 56.565 -0.143 1
1 460 . 1 1 1 A 52 52 GLU CB C 74 28.860 30.452 -1.592 1
1 462 . 1 1 1 A 52 52 GLU N N 74 118.204 120.035 -1.831 1
1 463 . 1 1 1 A 53 53 GLY H H 75 7.778 8.644 -0.866 1
1 464 . 1 1 1 A 53 53 GLY HA2 H 75 3.864 3.963 -0.099 1
1 465 . 1 1 1 A 53 53 GLY HA3 H 75 4.446 3.978 0.468 1
1 466 . 1 1 1 A 53 53 GLY CA C 75 45.501 45.790 -0.289 1
1 467 . 1 1 1 A 53 53 GLY N N 75 106.348 108.723 -2.375 1
1 468 . 1 1 1 A 54 54 GLY H H 76 7.775 7.619 0.156 1
1 469 . 1 1 1 A 54 54 GLY HA2 H 76 4.177 4.198 -0.021 1
1 470 . 1 1 1 A 54 54 GLY HA3 H 76 4.677 4.240 0.437 1
1 471 . 1 1 1 A 54 54 GLY CA C 76 43.906 44.970 -1.064 1
1 472 . 1 1 1 A 54 54 GLY N N 76 108.460 107.918 0.542 1
1 473 . 1 1 1 A 55 55 LEU H H 77 8.311 8.222 0.089 1
1 474 . 1 1 1 A 55 55 LEU HA H 77 5.116 5.108 0.008 1
1 477 . 1 1 1 A 55 55 LEU CA C 77 53.425 53.393 0.032 1
1 478 . 1 1 1 A 55 55 LEU CB C 77 47.604 45.536 2.068 1
1 479 . 1 1 1 A 55 55 LEU N N 77 120.236 122.286 -2.050 1
1 480 . 1 1 1 A 56 56 ASN H H 78 9.424 9.844 -0.420 1
1 481 . 1 1 1 A 56 56 ASN HA H 78 5.149 5.536 -0.387 1
1 485 . 1 1 1 A 56 56 ASN CA C 78 52.316 51.920 0.396 1
1 486 . 1 1 1 A 56 56 ASN CB C 78 40.839 40.616 0.223 1
1 487 . 1 1 1 A 56 56 ASN N N 78 120.305 119.882 0.423 1
1 489 . 1 1 1 A 57 57 LEU H H 79 9.259 8.239 1.020 1
1 490 . 1 1 1 A 57 57 LEU HA H 79 4.903 5.706 -0.803 1
1 491 . 1 1 1 A 57 57 LEU CA C 79 54.713 54.079 0.634 1
1 492 . 1 1 1 A 57 57 LEU CB C 79 42.533 42.262 0.271 1
1 493 . 1 1 1 A 57 57 LEU N N 79 127.309 122.942 4.367 1
1 494 . 1 1 1 A 58 58 THR H H 80 8.973 9.739 -0.766 1
1 495 . 1 1 1 A 58 58 THR HA H 80 4.941 5.217 -0.276 1
1 500 . 1 1 1 A 58 58 THR CA C 80 62.501 61.771 0.730 1
1 501 . 1 1 1 A 58 58 THR CB C 80 68.984 69.699 -0.715 1
1 503 . 1 1 1 A 58 58 THR N N 80 122.763 120.988 1.775 1
1 504 . 1 1 1 A 59 59 SER H H 81 9.549 8.765 0.784 1
1 505 . 1 1 1 A 59 59 SER HA H 81 6.045 5.549 0.496 1
1 507 . 1 1 1 A 59 59 SER CA C 81 57.242 56.817 0.425 1
1 508 . 1 1 1 A 59 59 SER CB C 81 65.536 64.189 1.347 1
1 509 . 1 1 1 A 59 59 SER N N 81 126.425 122.071 4.354 1
1 510 . 1 1 1 A 60 60 THR H H 82 9.332 9.383 -0.051 1
1 511 . 1 1 1 A 60 60 THR HA H 82 5.464 5.457 0.007 1
1 516 . 1 1 1 A 60 60 THR CA C 82 61.719 60.553 1.166 1
1 517 . 1 1 1 A 60 60 THR CB C 82 70.846 70.733 0.113 1
1 519 . 1 1 1 A 60 60 THR N N 82 121.445 117.850 3.595 1
1 520 . 1 1 1 A 61 61 PHE H H 83 8.794 8.241 0.553 1
1 521 . 1 1 1 A 61 61 PHE HA H 83 5.266 6.875 -1.609 1
1 525 . 1 1 1 A 61 61 PHE CA C 83 54.698 55.134 -0.436 1
1 526 . 1 1 1 A 61 61 PHE CB C 83 42.327 42.657 -0.330 1
1 528 . 1 1 1 A 61 61 PHE N N 83 121.707 119.790 1.917 1
1 529 . 1 1 1 A 62 62 LEU H H 84 8.915 8.571 0.344 1
1 530 . 1 1 1 A 62 62 LEU HA H 84 4.885 5.383 -0.498 1
1 540 . 1 1 1 A 62 62 LEU CA C 84 54.447 53.711 0.736 1
1 541 . 1 1 1 A 62 62 LEU CB C 84 43.627 44.723 -1.096 1
1 545 . 1 1 1 A 62 62 LEU N N 84 122.160 122.847 -0.687 1
1 546 . 1 1 1 A 63 63 ARG H H 85 9.213 9.450 -0.237 1
1 547 . 1 1 1 A 63 63 ARG HA H 85 4.645 5.070 -0.425 1
1 551 . 1 1 1 A 63 63 ARG CA C 85 56.244 54.779 1.465 1
1 552 . 1 1 1 A 63 63 ARG CB C 85 32.551 33.083 -0.532 1
1 555 . 1 1 1 A 63 63 ARG N N 85 128.889 125.024 3.865 1
1 556 . 1 1 1 A 64 64 LYS H H 86 9.466 9.549 -0.083 1
1 557 . 1 1 1 A 64 64 LYS HA H 86 3.869 4.029 -0.160 1
1 563 . 1 1 1 A 64 64 LYS CA C 86 58.497 57.631 0.866 1
1 564 . 1 1 1 A 64 64 LYS CB C 86 30.202 30.867 -0.665 1
1 568 . 1 1 1 A 64 64 LYS N N 86 127.634 119.544 8.090 1
1 569 . 1 1 1 A 65 65 ASN H H 87 8.648 8.644 0.004 1
1 570 . 1 1 1 A 65 65 ASN HA H 87 4.500 4.264 0.236 1
1 575 . 1 1 1 A 65 65 ASN CA C 87 54.059 54.569 -0.510 1
1 576 . 1 1 1 A 65 65 ASN CB C 87 38.861 37.389 1.472 1
1 577 . 1 1 1 A 65 65 ASN N N 87 113.645 108.848 4.797 1
1 579 . 1 1 1 A 66 66 GLN H H 88 8.009 7.688 0.321 1
1 580 . 1 1 1 A 66 66 GLN HA H 88 4.720 4.794 -0.074 1
1 586 . 1 1 1 A 66 66 GLN CA C 88 53.951 54.777 -0.826 1
1 587 . 1 1 1 A 66 66 GLN CB C 88 32.360 31.341 1.019 1
1 589 . 1 1 1 A 66 66 GLN N N 88 118.506 116.778 1.728 1
1 591 . 1 1 1 A 67 67 CYS H H 89 8.712 9.003 -0.291 1
1 592 . 1 1 1 A 67 67 CYS HA H 89 5.398 5.531 -0.133 1
1 595 . 1 1 1 A 67 67 CYS CA C 89 52.821 54.259 -1.438 1
1 596 . 1 1 1 A 67 67 CYS CB C 89 36.780 44.755 -7.975 1
1 597 . 1 1 1 A 67 67 CYS N N 89 119.694 124.267 -4.573 1
1 598 . 1 1 1 A 68 68 GLU H H 90 9.083 8.508 0.575 1
1 599 . 1 1 1 A 68 68 GLU HA H 90 4.568 4.796 -0.228 1
1 603 . 1 1 1 A 68 68 GLU CA C 90 54.905 54.288 0.617 1
1 604 . 1 1 1 A 68 68 GLU CB C 90 33.372 32.948 0.424 1
1 606 . 1 1 1 A 68 68 GLU N N 90 126.906 126.345 0.561 1
1 607 . 1 1 1 A 69 69 THR H H 91 8.233 8.438 -0.205 1
1 608 . 1 1 1 A 69 69 THR HA H 91 5.721 4.998 0.723 1
1 613 . 1 1 1 A 69 69 THR CA C 91 60.732 61.280 -0.548 1
1 614 . 1 1 1 A 69 69 THR CB C 91 71.796 70.968 0.828 1
1 616 . 1 1 1 A 69 69 THR N N 91 115.413 118.410 -2.997 1
1 617 . 1 1 1 A 70 70 LYS H H 92 9.232 8.890 0.342 1
1 618 . 1 1 1 A 70 70 LYS HA H 92 4.847 4.934 -0.087 1
1 624 . 1 1 1 A 70 70 LYS CA C 92 54.766 54.808 -0.042 1
1 625 . 1 1 1 A 70 70 LYS CB C 92 36.982 35.745 1.237 1
1 629 . 1 1 1 A 70 70 LYS N N 92 125.378 127.935 -2.557 1
1 630 . 1 1 1 A 71 71 ILE H H 93 8.751 8.969 -0.218 1
1 631 . 1 1 1 A 71 71 ILE HA H 93 5.101 4.708 0.393 1
1 641 . 1 1 1 A 71 71 ILE CA C 93 60.391 60.076 0.315 1
1 642 . 1 1 1 A 71 71 ILE CB C 93 40.534 39.413 1.121 1
1 646 . 1 1 1 A 71 71 ILE N N 93 124.290 128.157 -3.867 1
1 647 . 1 1 1 A 72 72 MET H H 94 9.003 8.454 0.549 1
1 648 . 1 1 1 A 72 72 MET HA H 94 4.775 5.132 -0.357 1
1 651 . 1 1 1 A 72 72 MET CA C 94 54.673 54.362 0.311 1
1 652 . 1 1 1 A 72 72 MET CB C 94 36.889 36.102 0.787 1
1 654 . 1 1 1 A 72 72 MET N N 94 127.651 125.867 1.784 1
1 655 . 1 1 1 A 73 73 VAL H H 95 8.607 9.152 -0.545 1
1 656 . 1 1 1 A 73 73 VAL HA H 95 4.740 4.876 -0.136 1
1 661 . 1 1 1 A 73 73 VAL CA C 95 62.080 61.765 0.315 1
1 662 . 1 1 1 A 73 73 VAL CB C 95 33.333 33.034 0.299 1
1 664 . 1 1 1 A 73 73 VAL N N 95 125.436 124.359 1.077 1
1 665 . 1 1 1 A 74 74 LEU H H 96 9.278 9.019 0.259 1
1 666 . 1 1 1 A 74 74 LEU HA H 96 5.089 5.466 -0.377 1
1 668 . 1 1 1 A 74 74 LEU CA C 96 53.117 53.414 -0.297 1
1 669 . 1 1 1 A 74 74 LEU CB C 96 42.342 45.997 -3.655 1
1 670 . 1 1 1 A 74 74 LEU N N 96 127.760 130.146 -2.386 1
1 671 . 1 1 1 A 75 75 GLN H H 97 9.280 8.856 0.424 1
1 672 . 1 1 1 A 75 75 GLN HA H 97 5.018 4.894 0.124 1
1 675 . 1 1 1 A 75 75 GLN CA C 97 53.326 52.288 1.038 1
1 676 . 1 1 1 A 75 75 GLN CB C 97 29.255 30.194 -0.939 1
1 678 . 1 1 1 A 75 75 GLN N N 97 125.135 125.204 -0.069 1
1 679 . 1 1 1 A 76 76 PRO HA H 98 4.407 2.871 1.536 1
1 682 . 1 1 1 A 76 76 PRO CA C 98 64.216 62.281 1.935 1
1 683 . 1 1 1 A 76 76 PRO CB C 98 32.365 31.817 0.548 1
1 684 . 1 1 1 A 77 77 ALA H H 99 8.021 7.940 0.081 1
1 685 . 1 1 1 A 77 77 ALA HA H 99 4.691 4.557 0.134 1
1 689 . 1 1 1 A 77 77 ALA CA C 99 50.927 51.194 -0.267 1
1 690 . 1 1 1 A 77 77 ALA CB C 99 20.003 19.553 0.450 1
1 691 . 1 1 1 A 77 77 ALA N N 99 126.607 125.153 1.454 1
1 692 . 1 1 1 A 78 78 GLY H H 100 8.185 8.112 0.073 1
1 693 . 1 1 1 A 78 78 GLY HA2 H 100 3.560 3.867 -0.307 1
1 694 . 1 1 1 A 78 78 GLY HA3 H 100 4.211 3.890 0.321 1
1 695 . 1 1 1 A 78 78 GLY CA C 100 45.692 46.505 -0.813 1
1 696 . 1 1 1 A 78 78 GLY N N 100 109.388 107.105 2.283 1
1 697 . 1 1 1 A 79 79 ALA H H 101 8.074 7.994 0.080 1
1 698 . 1 1 1 A 79 79 ALA HA H 101 4.624 4.506 0.118 1
1 702 . 1 1 1 A 79 79 ALA CA C 101 50.576 50.591 -0.015 1
1 703 . 1 1 1 A 79 79 ALA CB C 101 18.277 18.841 -0.564 1
1 704 . 1 1 1 A 79 79 ALA N N 101 126.934 127.777 -0.843 1
1 705 . 1 1 1 A 80 80 PRO HA H 102 4.425 4.473 -0.048 1
1 707 . 1 1 1 A 80 80 PRO CA C 102 63.915 63.904 0.011 1
1 708 . 1 1 1 A 80 80 PRO CB C 102 32.093 31.905 0.188 1
1 711 . 1 1 1 A 81 81 GLY H H 103 8.227 9.134 -0.907 1
1 712 . 1 1 1 A 81 81 GLY HA2 H 103 2.428 3.837 -1.409 1
1 713 . 1 1 1 A 81 81 GLY HA3 H 103 3.673 3.905 -0.232 1
1 714 . 1 1 1 A 81 81 GLY CA C 103 44.671 45.286 -0.615 1
1 715 . 1 1 1 A 81 81 GLY N N 103 111.362 111.689 -0.327 1
1 716 . 1 1 1 A 82 82 HIS H H 104 7.610 7.603 0.007 1
1 717 . 1 1 1 A 82 82 HIS HA H 104 5.169 4.946 0.223 1
1 721 . 1 1 1 A 82 82 HIS CA C 104 54.457 55.245 -0.788 1
1 722 . 1 1 1 A 82 82 HIS CB C 104 29.867 31.589 -1.722 1
1 724 . 1 1 1 A 82 82 HIS N N 104 117.393 119.368 -1.975 1
1 725 . 1 1 1 A 83 83 TYR H H 105 9.164 8.693 0.471 1
1 726 . 1 1 1 A 83 83 TYR HA H 105 5.465 5.193 0.272 1
1 730 . 1 1 1 A 83 83 TYR CA C 105 56.894 56.581 0.313 1
1 731 . 1 1 1 A 83 83 TYR CB C 105 44.686 42.995 1.691 1
1 733 . 1 1 1 A 83 83 TYR N N 105 122.473 121.397 1.076 1
1 734 . 1 1 1 A 84 84 THR H H 106 9.475 8.773 0.702 1
1 735 . 1 1 1 A 84 84 THR HA H 106 5.439 5.005 0.434 1
1 740 . 1 1 1 A 84 84 THR CA C 106 60.469 60.172 0.297 1
1 741 . 1 1 1 A 84 84 THR CB C 106 72.344 72.130 0.214 1
1 743 . 1 1 1 A 84 84 THR N N 106 112.202 113.713 -1.511 1
1 744 . 1 1 1 A 85 85 TYR H H 107 8.723 8.012 0.711 1
1 745 . 1 1 1 A 85 85 TYR HA H 107 5.239 5.898 -0.659 1
1 749 . 1 1 1 A 85 85 TYR CA C 107 56.392 55.163 1.229 1
1 750 . 1 1 1 A 85 85 TYR CB C 107 41.653 41.859 -0.206 1
1 751 . 1 1 1 A 85 85 TYR N N 107 118.519 119.816 -1.297 1
1 752 . 1 1 1 A 86 86 SER H H 108 8.509 8.925 -0.416 1
1 753 . 1 1 1 A 86 86 SER HA H 108 4.564 4.999 -0.435 1
1 755 . 1 1 1 A 86 86 SER CA C 108 56.420 57.365 -0.945 1
1 756 . 1 1 1 A 86 86 SER CB C 108 63.939 63.173 0.766 1
1 757 . 1 1 1 A 86 86 SER N N 108 120.384 116.920 3.464 1
1 758 . 1 1 1 A 87 87 SER H H 109 8.155 8.368 -0.213 1
1 759 . 1 1 1 A 87 87 SER HA H 109 4.519 4.799 -0.280 1
1 762 . 1 1 1 A 87 87 SER CA C 109 56.046 57.733 -1.687 1
1 763 . 1 1 1 A 87 87 SER CB C 109 63.145 63.235 -0.090 1
1 764 . 1 1 1 A 87 87 SER N N 109 120.949 122.501 -1.552 1
1 765 . 1 1 1 A 88 88 PRO HA H 110 4.287 4.665 -0.378 1
1 767 . 1 1 1 A 88 88 PRO CA C 110 64.081 63.405 0.676 1
1 768 . 1 1 1 A 88 88 PRO CB C 110 32.049 31.988 0.061 1
1 771 . 1 1 1 A 89 89 HIS H H 111 8.535 8.724 -0.189 1
1 772 . 1 1 1 A 89 89 HIS HA H 111 4.421 4.794 -0.373 1
1 774 . 1 1 1 A 89 89 HIS CA C 111 56.683 55.409 1.274 1
1 775 . 1 1 1 A 89 89 HIS CB C 111 27.859 30.994 -3.135 1
1 776 . 1 1 1 A 89 89 HIS N N 111 115.372 123.574 -8.202 1
1 777 . 1 1 1 A 90 90 SER H H 112 8.012 8.869 -0.857 1
1 778 . 1 1 1 A 90 90 SER HA H 112 4.422 4.367 0.055 1
1 781 . 1 1 1 A 90 90 SER CA C 112 58.586 58.203 0.383 1
1 782 . 1 1 1 A 90 90 SER CB C 112 64.405 63.532 0.873 1
1 783 . 1 1 1 A 90 90 SER N N 112 112.865 117.010 -4.145 1
1 784 . 1 1 1 A 91 91 GLY H H 113 8.239 7.813 0.426 1
1 785 . 1 1 1 A 91 91 GLY HA2 H 113 3.911 4.088 -0.177 1
1 786 . 1 1 1 A 91 91 GLY HA3 H 113 3.966 4.091 -0.125 1
1 787 . 1 1 1 A 91 91 GLY CA C 113 45.627 45.126 0.501 1
1 788 . 1 1 1 A 91 91 GLY N N 113 110.848 108.797 2.051 1
1 789 . 1 1 1 A 92 92 SER H H 114 7.757 7.943 -0.186 1
1 790 . 1 1 1 A 92 92 SER HA H 114 4.518 4.369 0.149 1
1 792 . 1 1 1 A 92 92 SER CA C 114 58.132 58.165 -0.033 1
1 793 . 1 1 1 A 92 92 SER CB C 114 64.340 63.903 0.437 1
1 794 . 1 1 1 A 92 92 SER N N 114 114.404 115.814 -1.410 1
1 795 . 1 1 1 A 93 93 ILE H H 115 8.456 8.972 -0.516 1
1 796 . 1 1 1 A 93 93 ILE HA H 115 4.412 4.586 -0.174 1
1 806 . 1 1 1 A 93 93 ILE CA C 115 60.573 60.223 0.350 1
1 807 . 1 1 1 A 93 93 ILE CB C 115 39.061 40.583 -1.522 1
1 811 . 1 1 1 A 93 93 ILE N N 115 124.873 127.050 -2.177 1
1 812 . 1 1 1 A 94 94 HIS H H 116 8.994 8.226 0.768 1
1 813 . 1 1 1 A 94 94 HIS HA H 116 5.309 5.069 0.240 1
1 814 . 1 1 1 A 94 94 HIS CA C 116 53.919 54.922 -1.003 1
1 815 . 1 1 1 A 94 94 HIS CB C 116 27.883 31.474 -3.591 1
1 816 . 1 1 1 A 94 94 HIS N N 116 125.591 126.356 -0.765 1
1 817 . 1 1 1 A 95 95 SER H H 117 9.153 8.850 0.303 1
1 818 . 1 1 1 A 95 95 SER HA H 117 5.101 4.759 0.342 1
1 820 . 1 1 1 A 95 95 SER CA C 117 57.114 56.899 0.215 1
1 821 . 1 1 1 A 95 95 SER CB C 117 64.430 64.377 0.053 1
1 822 . 1 1 1 A 95 95 SER N N 117 117.598 118.640 -1.042 1
1 823 . 1 1 1 A 96 96 VAL H H 118 9.055 8.768 0.287 1
1 824 . 1 1 1 A 96 96 VAL HA H 118 5.009 4.980 0.029 1
1 828 . 1 1 1 A 96 96 VAL CA C 118 61.453 60.633 0.820 1
1 829 . 1 1 1 A 96 96 VAL CB C 118 35.098 34.656 0.442 1
1 831 . 1 1 1 A 96 96 VAL N N 118 126.585 129.020 -2.435 1
1 832 . 1 1 1 A 97 97 SER H H 119 9.032 8.895 0.137 1
1 833 . 1 1 1 A 97 97 SER HA H 119 5.543 5.611 -0.068 1
1 835 . 1 1 1 A 97 97 SER CA C 119 56.290 56.195 0.095 1
1 836 . 1 1 1 A 97 97 SER CB C 119 65.799 66.142 -0.343 1
1 837 . 1 1 1 A 97 97 SER N N 119 121.395 121.114 0.281 1
1 838 . 1 1 1 A 98 98 VAL H H 120 8.402 8.618 -0.216 1
1 839 . 1 1 1 A 98 98 VAL HA H 120 4.027 4.418 -0.391 1
1 847 . 1 1 1 A 98 98 VAL CA C 120 62.212 62.103 0.109 1
1 848 . 1 1 1 A 98 98 VAL CB C 120 29.250 31.838 -2.588 1
1 851 . 1 1 1 A 98 98 VAL N N 120 124.771 123.389 1.382 1
1 852 . 1 1 1 A 99 99 VAL H H 121 8.361 8.901 -0.540 1
1 853 . 1 1 1 A 99 99 VAL HA H 121 3.723 3.678 0.045 1
1 858 . 1 1 1 A 99 99 VAL CA C 121 65.202 65.436 -0.234 1
1 859 . 1 1 1 A 99 99 VAL CB C 121 32.718 31.930 0.788 1
1 861 . 1 1 1 A 99 99 VAL N N 121 128.844 128.979 -0.135 1
1 862 . 1 1 1 A 100 100 GLU H H 122 7.188 7.601 -0.413 1
1 863 . 1 1 1 A 100 100 GLU HA H 122 4.726 4.665 0.061 1
1 866 . 1 1 1 A 100 100 GLU CA C 122 54.951 55.954 -1.003 1
1 867 . 1 1 1 A 100 100 GLU CB C 122 34.111 33.412 0.699 1
1 868 . 1 1 1 A 100 100 GLU N N 122 113.832 116.840 -3.008 1
1 869 . 1 1 1 A 101 101 ALA H H 123 8.708 8.745 -0.037 1
1 870 . 1 1 1 A 101 101 ALA HA H 123 4.365 5.129 -0.764 1
1 874 . 1 1 1 A 101 101 ALA CA C 123 52.217 50.130 2.087 1
1 875 . 1 1 1 A 101 101 ALA CB C 123 21.568 21.082 0.486 1
1 876 . 1 1 1 A 101 101 ALA N N 123 124.349 125.512 -1.163 1
1 877 . 1 1 1 A 105 105 GLU HA H 127 3.719 4.584 -0.865 1
1 878 . 1 1 1 A 105 105 GLU CA C 127 59.422 55.954 3.468 1
1 879 . 1 1 1 A 105 105 GLU CB C 127 35.689 30.337 5.352 1
1 880 . 1 1 1 A 106 106 TYR H H 128 9.359 7.564 1.795 1
1 881 . 1 1 1 A 106 106 TYR HA H 128 6.292 5.170 1.122 1
1 885 . 1 1 1 A 106 106 TYR CA C 128 58.184 56.652 1.532 1
1 886 . 1 1 1 A 106 106 TYR CB C 128 42.417 40.461 1.956 1
1 889 . 1 1 1 A 106 106 TYR N N 128 118.441 117.722 0.719 1
1 890 . 1 1 1 A 107 107 ALA H H 129 9.057 8.914 0.143 1
1 891 . 1 1 1 A 107 107 ALA HA H 129 4.724 4.929 -0.205 1
1 895 . 1 1 1 A 107 107 ALA CA C 129 51.666 51.176 0.490 1
1 896 . 1 1 1 A 107 107 ALA CB C 129 22.720 22.981 -0.261 1
1 897 . 1 1 1 A 107 107 ALA N N 129 120.309 122.139 -1.830 1
1 898 . 1 1 1 A 108 108 LEU H H 130 8.889 8.427 0.462 1
1 899 . 1 1 1 A 108 108 LEU HA H 130 5.191 5.256 -0.065 1
1 908 . 1 1 1 A 108 108 LEU CA C 130 53.730 54.032 -0.302 1
1 909 . 1 1 1 A 108 108 LEU CB C 130 43.792 43.165 0.627 1
1 912 . 1 1 1 A 108 108 LEU N N 130 122.798 122.147 0.651 1
1 913 . 1 1 1 A 109 109 LEU H H 131 9.168 9.671 -0.503 1
1 914 . 1 1 1 A 109 109 LEU HA H 131 5.410 5.440 -0.030 1
1 924 . 1 1 1 A 109 109 LEU CA C 131 54.387 52.723 1.664 1
1 925 . 1 1 1 A 109 109 LEU CB C 131 45.159 46.586 -1.427 1
1 929 . 1 1 1 A 109 109 LEU N N 131 126.359 128.787 -2.428 1
1 930 . 1 1 1 A 110 110 PHE H H 132 9.150 8.959 0.191 1
1 931 . 1 1 1 A 110 110 PHE HA H 132 5.687 5.399 0.288 1
1 935 . 1 1 1 A 110 110 PHE CA C 132 56.501 55.900 0.601 1
1 936 . 1 1 1 A 110 110 PHE CB C 132 43.567 42.554 1.013 1
1 937 . 1 1 1 A 110 110 PHE N N 132 120.892 126.305 -5.413 1
1 938 . 1 1 1 A 111 111 SER H H 133 8.978 9.332 -0.354 1
1 939 . 1 1 1 A 111 111 SER HA H 133 5.702 5.353 0.349 1
1 941 . 1 1 1 A 111 111 SER CA C 133 55.789 57.352 -1.563 1
1 942 . 1 1 1 A 111 111 SER CB C 133 65.521 65.225 0.296 1
1 943 . 1 1 1 A 111 111 SER N N 133 125.184 122.610 2.574 1
1 944 . 1 1 1 A 112 112 ARG H H 134 8.581 8.998 -0.417 1
1 945 . 1 1 1 A 112 112 ARG HA H 134 5.151 5.332 -0.181 1
1 950 . 1 1 1 A 112 112 ARG CA C 134 53.502 54.415 -0.913 1
1 951 . 1 1 1 A 112 112 ARG CB C 134 34.324 33.952 0.372 1
1 954 . 1 1 1 A 112 112 ARG N N 134 120.408 126.050 -5.642 1
1 955 . 1 1 1 A 113 113 GLY H H 135 8.195 9.387 -1.192 1
1 956 . 1 1 1 A 113 113 GLY HA2 H 135 4.108 4.553 -0.445 1
1 957 . 1 1 1 A 113 113 GLY HA3 H 135 4.342 4.589 -0.247 1
1 958 . 1 1 1 A 113 113 GLY CA C 135 45.735 43.931 1.804 1
1 959 . 1 1 1 A 113 113 GLY N N 135 108.687 112.652 -3.965 1
1 960 . 1 1 1 A 114 114 THR H H 136 8.437 8.968 -0.531 1
1 961 . 1 1 1 A 114 114 THR HA H 136 4.686 4.277 0.409 1
1 966 . 1 1 1 A 114 114 THR CA C 136 61.317 64.194 -2.877 1
1 967 . 1 1 1 A 114 114 THR CB C 136 70.640 69.272 1.368 1
1 969 . 1 1 1 A 114 114 THR N N 136 112.383 113.038 -0.655 1
1 970 . 1 1 1 A 115 115 LYS H H 137 8.042 8.118 -0.076 1
1 971 . 1 1 1 A 115 115 LYS HA H 137 4.457 3.962 0.495 1
1 976 . 1 1 1 A 115 115 LYS CA C 137 56.861 57.292 -0.431 1
1 977 . 1 1 1 A 115 115 LYS CB C 137 34.523 31.569 2.954 1
1 981 . 1 1 1 A 115 115 LYS N N 137 121.031 120.408 0.623 1
1 982 . 1 1 1 A 116 116 GLY H H 138 8.574 8.612 -0.038 1
1 983 . 1 1 1 A 116 116 GLY HA2 H 138 3.894 3.848 0.046 1
1 984 . 1 1 1 A 116 116 GLY HA3 H 138 4.566 3.871 0.695 1
1 985 . 1 1 1 A 116 116 GLY CA C 138 44.217 46.864 -2.647 1
1 986 . 1 1 1 A 116 116 GLY N N 138 112.843 109.859 2.984 1
1 987 . 1 1 1 A 117 117 PRO HA H 139 4.452 4.622 -0.170 1
1 992 . 1 1 1 A 117 117 PRO CA C 139 63.920 63.043 0.877 1
1 993 . 1 1 1 A 117 117 PRO CB C 139 31.786 30.341 1.445 1
1 996 . 1 1 1 A 118 118 GLY H H 140 8.835 7.911 0.924 1
1 997 . 1 1 1 A 118 118 GLY HA2 H 140 4.030 3.930 0.100 1
1 998 . 1 1 1 A 118 118 GLY HA3 H 140 4.187 3.939 0.248 1
1 999 . 1 1 1 A 118 118 GLY CA C 140 45.949 46.704 -0.755 1
1 1000 . 1 1 1 A 118 118 GLY N N 140 110.324 107.763 2.561 1
1 1001 . 1 1 1 A 119 119 GLN H H 141 8.062 8.213 -0.151 1
1 1002 . 1 1 1 A 119 119 GLN HA H 141 4.067 4.479 -0.412 1
1 1005 . 1 1 1 A 119 119 GLN CA C 141 57.874 55.590 2.284 1
1 1006 . 1 1 1 A 119 119 GLN CB C 141 28.638 29.230 -0.592 1
1 1008 . 1 1 1 A 119 119 GLN N N 141 119.674 120.885 -1.211 1
1 1009 . 1 1 1 A 120 120 ASP H H 142 8.554 7.907 0.647 1
1 1010 . 1 1 1 A 120 120 ASP HA H 142 4.606 4.363 0.243 1
1 1012 . 1 1 1 A 120 120 ASP CA C 142 54.348 54.955 -0.607 1
1 1013 . 1 1 1 A 120 120 ASP CB C 142 40.529 39.555 0.974 1
1 1014 . 1 1 1 A 120 120 ASP N N 142 117.596 117.369 0.227 1
1 1015 . 1 1 1 A 121 121 PHE H H 143 7.890 8.995 -1.105 1
1 1016 . 1 1 1 A 121 121 PHE HA H 143 4.477 4.780 -0.303 1
1 1021 . 1 1 1 A 121 121 PHE CA C 143 59.232 58.476 0.756 1
1 1022 . 1 1 1 A 121 121 PHE CB C 143 39.898 40.145 -0.247 1
1 1025 . 1 1 1 A 121 121 PHE N N 143 122.226 120.207 2.019 1
1 1026 . 1 1 1 A 122 122 ARG H H 144 7.956 8.073 -0.117 1
1 1027 . 1 1 1 A 122 122 ARG HA H 144 4.664 5.101 -0.437 1
1 1032 . 1 1 1 A 122 122 ARG CA C 144 54.337 54.235 0.102 1
1 1033 . 1 1 1 A 122 122 ARG CB C 144 34.705 33.215 1.490 1
1 1036 . 1 1 1 A 122 122 ARG N N 144 126.876 127.031 -0.155 1
1 1037 . 1 1 1 A 123 123 MET H H 145 8.444 9.519 -1.075 1
1 1038 . 1 1 1 A 123 123 MET HA H 145 5.157 5.105 0.052 1
1 1042 . 1 1 1 A 123 123 MET CA C 145 54.904 53.932 0.972 1
1 1043 . 1 1 1 A 123 123 MET CB C 145 37.618 36.166 1.452 1
1 1045 . 1 1 1 A 123 123 MET N N 145 121.767 125.776 -4.009 1
1 1046 . 1 1 1 A 124 124 ALA H H 146 9.809 8.645 1.164 1
1 1047 . 1 1 1 A 124 124 ALA HA H 146 5.801 4.744 1.057 1
1 1051 . 1 1 1 A 124 124 ALA CA C 146 50.289 50.374 -0.085 1
1 1052 . 1 1 1 A 124 124 ALA CB C 146 22.630 21.694 0.936 1
1 1053 . 1 1 1 A 124 124 ALA N N 146 132.634 127.262 5.372 1
1 1054 . 1 1 1 A 125 125 THR H H 147 9.169 9.632 -0.463 1
1 1055 . 1 1 1 A 125 125 THR HA H 147 4.974 5.073 -0.099 1
1 1060 . 1 1 1 A 125 125 THR CA C 147 62.270 59.852 2.418 1
1 1061 . 1 1 1 A 125 125 THR CB C 147 71.431 71.552 -0.121 1
1 1063 . 1 1 1 A 125 125 THR N N 147 118.001 113.338 4.663 1
1 1064 . 1 1 1 A 126 126 LEU H H 148 8.287 8.558 -0.271 1
1 1065 . 1 1 1 A 126 126 LEU HA H 148 4.994 5.034 -0.040 1
1 1072 . 1 1 1 A 126 126 LEU CA C 148 52.917 53.584 -0.667 1
1 1073 . 1 1 1 A 126 126 LEU CB C 148 42.487 43.229 -0.742 1
1 1076 . 1 1 1 A 126 126 LEU N N 148 128.462 125.240 3.222 1
1 1077 . 1 1 1 A 127 127 TYR H H 149 9.352 8.741 0.611 1
1 1078 . 1 1 1 A 127 127 TYR HA H 149 5.745 4.860 0.885 1
1 1082 . 1 1 1 A 127 127 TYR CA C 149 55.277 59.292 -4.015 1
1 1083 . 1 1 1 A 127 127 TYR CB C 149 40.105 39.790 0.315 1
1 1085 . 1 1 1 A 127 127 TYR N N 149 127.854 127.159 0.695 1
1 1086 . 1 1 1 A 128 128 SER H H 150 9.808 8.672 1.136 1
1 1087 . 1 1 1 A 128 128 SER HA H 150 6.032 5.199 0.833 1
1 1090 . 1 1 1 A 128 128 SER CA C 150 55.349 56.420 -1.071 1
1 1091 . 1 1 1 A 128 128 SER CB C 150 66.028 65.417 0.611 1
1 1092 . 1 1 1 A 128 128 SER N N 150 113.673 117.896 -4.223 1
1 1093 . 1 1 1 A 129 129 ARG H H 151 8.667 8.792 -0.125 1
1 1094 . 1 1 1 A 129 129 ARG HA H 151 4.184 4.132 0.052 1
1 1096 . 1 1 1 A 129 129 ARG CA C 151 56.959 59.722 -2.763 1
1 1097 . 1 1 1 A 129 129 ARG CB C 151 31.553 30.118 1.435 1
1 1098 . 1 1 1 A 129 129 ARG N N 151 126.102 126.863 -0.761 1
1 1099 . 1 1 1 A 130 130 THR H H 152 8.244 7.642 0.602 1
1 1100 . 1 1 1 A 130 130 THR HA H 152 4.879 4.239 0.640 1
1 1105 . 1 1 1 A 130 130 THR CA C 152 59.501 60.912 -1.411 1
1 1106 . 1 1 1 A 130 130 THR CB C 152 71.244 71.206 0.038 1
1 1108 . 1 1 1 A 130 130 THR N N 152 108.224 111.155 -2.931 1
1 1109 . 1 1 1 A 131 131 GLN H H 153 8.765 8.664 0.101 1
1 1110 . 1 1 1 A 131 131 GLN HA H 153 3.664 3.809 -0.145 1
1 1117 . 1 1 1 A 131 131 GLN CA C 153 57.614 58.060 -0.446 1
1 1118 . 1 1 1 A 131 131 GLN CB C 153 28.738 29.138 -0.400 1
1 1120 . 1 1 1 A 131 131 GLN N N 153 119.385 121.095 -1.710 1
1 1122 . 1 1 1 A 132 132 THR H H 154 7.242 7.594 -0.352 1
1 1123 . 1 1 1 A 132 132 THR HA H 154 4.309 4.572 -0.263 1
1 1128 . 1 1 1 A 132 132 THR CA C 154 60.406 59.440 0.966 1
1 1129 . 1 1 1 A 132 132 THR CB C 154 70.006 70.700 -0.694 1
1 1131 . 1 1 1 A 132 132 THR N N 154 108.689 110.634 -1.945 1
1 1132 . 1 1 1 A 133 133 LEU H H 155 8.608 8.607 0.001 1
1 1133 . 1 1 1 A 133 133 LEU HA H 155 4.631 5.162 -0.531 1
1 1143 . 1 1 1 A 133 133 LEU CA C 155 53.415 52.656 0.759 1
1 1144 . 1 1 1 A 133 133 LEU CB C 155 44.570 46.310 -1.740 1
1 1148 . 1 1 1 A 133 133 LEU N N 155 124.560 120.633 3.927 1
1 1149 . 1 1 1 A 134 134 LYS H H 156 8.157 8.724 -0.567 1
1 1150 . 1 1 1 A 134 134 LYS HA H 156 4.374 4.404 -0.030 1
1 1156 . 1 1 1 A 134 134 LYS CA C 156 56.031 54.951 1.080 1
1 1157 . 1 1 1 A 134 134 LYS CB C 156 33.505 33.974 -0.469 1
1 1161 . 1 1 1 A 134 134 LYS N N 156 123.852 120.922 2.930 1
1 1162 . 1 1 1 A 135 135 ASP H H 157 8.974 8.920 0.054 1
1 1163 . 1 1 1 A 135 135 ASP HA H 157 4.143 4.218 -0.075 1
1 1165 . 1 1 1 A 135 135 ASP CA C 157 58.252 56.413 1.839 1
1 1166 . 1 1 1 A 135 135 ASP CB C 157 39.857 39.842 0.015 1
1 1167 . 1 1 1 A 135 135 ASP N N 157 124.197 123.907 0.290 1
1 1168 . 1 1 1 A 136 136 GLU H H 158 9.287 7.849 1.438 1
1 1169 . 1 1 1 A 136 136 GLU HA H 158 4.141 4.188 -0.047 1
1 1173 . 1 1 1 A 136 136 GLU CA C 158 59.348 58.621 0.727 1
1 1174 . 1 1 1 A 136 136 GLU CB C 158 28.638 29.619 -0.981 1
1 1176 . 1 1 1 A 136 136 GLU N N 158 117.885 120.364 -2.479 1
1 1177 . 1 1 1 A 137 137 LEU H H 159 7.246 8.114 -0.868 1
1 1178 . 1 1 1 A 137 137 LEU HA H 159 4.053 3.939 0.114 1
1 1187 . 1 1 1 A 137 137 LEU CA C 159 56.663 56.864 -0.201 1
1 1188 . 1 1 1 A 137 137 LEU CB C 159 41.666 41.288 0.378 1
1 1192 . 1 1 1 A 137 137 LEU N N 159 119.393 120.933 -1.540 1
1 1193 . 1 1 1 A 138 138 LYS H H 160 7.383 9.330 -1.947 1
1 1194 . 1 1 1 A 138 138 LYS HA H 160 3.997 3.978 0.019 1
1 1200 . 1 1 1 A 138 138 LYS CA C 160 60.416 59.149 1.267 1
1 1201 . 1 1 1 A 138 138 LYS CB C 160 31.478 31.980 -0.502 1
1 1205 . 1 1 1 A 138 138 LYS N N 160 119.612 121.191 -1.579 1
1 1206 . 1 1 1 A 139 139 GLU H H 161 7.978 8.365 -0.387 1
1 1207 . 1 1 1 A 139 139 GLU HA H 161 4.176 4.088 0.088 1
1 1211 . 1 1 1 A 139 139 GLU CA C 161 59.139 59.481 -0.342 1
1 1212 . 1 1 1 A 139 139 GLU CB C 161 28.417 29.296 -0.879 1
1 1214 . 1 1 1 A 139 139 GLU N N 161 119.510 119.237 0.273 1
1 1215 . 1 1 1 A 140 140 LYS H H 162 7.860 7.839 0.021 1
1 1216 . 1 1 1 A 140 140 LYS HA H 162 4.089 4.099 -0.010 1
1 1225 . 1 1 1 A 140 140 LYS CA C 162 59.541 58.765 0.776 1
1 1226 . 1 1 1 A 140 140 LYS CB C 162 32.078 32.208 -0.130 1
1 1230 . 1 1 1 A 140 140 LYS N N 162 120.614 120.003 0.611 1
1 1231 . 1 1 1 A 141 141 PHE H H 163 8.548 8.485 0.063 1
1 1232 . 1 1 1 A 141 141 PHE HA H 163 4.444 4.399 0.045 1
1 1235 . 1 1 1 A 141 141 PHE CA C 163 61.551 60.989 0.562 1
1 1236 . 1 1 1 A 141 141 PHE CB C 163 39.975 39.125 0.850 1
1 1237 . 1 1 1 A 141 141 PHE N N 163 119.075 120.985 -1.910 1
1 1238 . 1 1 1 A 142 142 THR H H 164 8.791 8.255 0.536 1
1 1239 . 1 1 1 A 142 142 THR HA H 164 3.721 4.097 -0.376 1
1 1244 . 1 1 1 A 142 142 THR CA C 164 67.495 66.715 0.780 1
1 1245 . 1 1 1 A 142 142 THR CB C 164 68.330 68.610 -0.280 1
1 1247 . 1 1 1 A 142 142 THR N N 164 120.224 116.302 3.922 1
1 1248 . 1 1 1 A 143 143 THR H H 165 8.536 8.546 -0.010 1
1 1249 . 1 1 1 A 143 143 THR HA H 165 3.764 3.932 -0.168 1
1 1254 . 1 1 1 A 143 143 THR CA C 165 66.989 66.847 0.142 1
1 1255 . 1 1 1 A 143 143 THR CB C 165 68.641 68.582 0.059 1
1 1257 . 1 1 1 A 143 143 THR N N 165 118.456 116.474 1.982 1
1 1258 . 1 1 1 A 144 144 PHE H H 166 8.264 7.812 0.452 1
1 1259 . 1 1 1 A 144 144 PHE HA H 166 4.207 4.050 0.157 1
1 1264 . 1 1 1 A 144 144 PHE CA C 166 61.233 61.850 -0.617 1
1 1265 . 1 1 1 A 144 144 PHE CB C 166 39.772 38.949 0.823 1
1 1266 . 1 1 1 A 144 144 PHE N N 166 122.676 121.978 0.698 1
1 1267 . 1 1 1 A 145 145 SER H H 167 8.077 8.023 0.054 1
1 1268 . 1 1 1 A 145 145 SER HA H 167 3.283 3.955 -0.672 1
1 1270 . 1 1 1 A 145 145 SER CA C 167 64.031 61.698 2.333 1
1 1271 . 1 1 1 A 145 145 SER CB C 167 62.339 62.933 -0.594 1
1 1272 . 1 1 1 A 145 145 SER N N 167 115.714 115.829 -0.115 1
1 1273 . 1 1 1 A 146 146 LYS H H 168 8.000 8.339 -0.339 1
1 1274 . 1 1 1 A 146 146 LYS HA H 168 4.434 4.194 0.240 1
1 1278 . 1 1 1 A 146 146 LYS CA C 168 58.915 58.593 0.322 1
1 1279 . 1 1 1 A 146 146 LYS CB C 168 32.022 32.212 -0.190 1
1 1283 . 1 1 1 A 146 146 LYS N N 168 121.529 121.975 -0.446 1
1 1284 . 1 1 1 A 147 147 ALA H H 169 7.726 7.764 -0.038 1
1 1285 . 1 1 1 A 147 147 ALA HA H 169 4.079 4.062 0.017 1
1 1289 . 1 1 1 A 147 147 ALA CA C 169 54.255 54.752 -0.497 1
1 1290 . 1 1 1 A 147 147 ALA CB C 169 17.264 18.246 -0.982 1
1 1291 . 1 1 1 A 147 147 ALA N N 169 123.249 122.044 1.205 1
1 1292 . 1 1 1 A 148 148 GLN H H 170 7.058 7.415 -0.357 1
1 1293 . 1 1 1 A 148 148 GLN HA H 170 4.139 4.201 -0.062 1
1 1299 . 1 1 1 A 148 148 GLN CA C 170 53.091 55.909 -2.818 1
1 1300 . 1 1 1 A 148 148 GLN CB C 170 26.931 28.881 -1.950 1
1 1302 . 1 1 1 A 148 148 GLN N N 170 113.952 115.102 -1.150 1
1 1304 . 1 1 1 A 149 149 GLY H H 171 7.651 7.883 -0.232 1
1 1305 . 1 1 1 A 149 149 GLY HA2 H 171 3.650 3.952 -0.302 1
1 1306 . 1 1 1 A 149 149 GLY HA3 H 171 4.076 3.957 0.119 1
1 1307 . 1 1 1 A 149 149 GLY CA C 171 45.335 45.945 -0.610 1
1 1308 . 1 1 1 A 149 149 GLY N N 171 106.210 108.022 -1.812 1
1 1309 . 1 1 1 A 150 150 LEU H H 172 7.395 7.616 -0.221 1
1 1310 . 1 1 1 A 150 150 LEU HA H 172 4.543 4.765 -0.222 1
1 1319 . 1 1 1 A 150 150 LEU CA C 172 53.499 53.041 0.458 1
1 1320 . 1 1 1 A 150 150 LEU CB C 172 40.838 44.814 -3.976 1
1 1324 . 1 1 1 A 150 150 LEU N N 172 120.964 120.426 0.538 1
1 1325 . 1 1 1 A 151 151 THR H H 173 8.270 8.722 -0.452 1
1 1326 . 1 1 1 A 151 151 THR HA H 173 4.515 4.728 -0.213 1
1 1331 . 1 1 1 A 151 151 THR CA C 173 60.236 61.315 -1.079 1
1 1332 . 1 1 1 A 151 151 THR CB C 173 71.307 70.560 0.747 1
1 1334 . 1 1 1 A 151 151 THR N N 173 110.762 116.335 -5.573 1
1 1335 . 1 1 1 A 152 152 GLU H H 174 9.041 8.965 0.076 1
1 1336 . 1 1 1 A 152 152 GLU HA H 174 3.908 4.053 -0.145 1
1 1340 . 1 1 1 A 152 152 GLU CA C 174 60.190 59.404 0.786 1
1 1341 . 1 1 1 A 152 152 GLU CB C 174 28.823 29.166 -0.343 1
1 1343 . 1 1 1 A 152 152 GLU N N 174 118.629 123.538 -4.909 1
1 1344 . 1 1 1 A 153 153 GLU H H 175 8.200 8.089 0.111 1
1 1345 . 1 1 1 A 153 153 GLU HA H 175 4.222 4.050 0.172 1
1 1349 . 1 1 1 A 153 153 GLU CA C 175 58.093 58.726 -0.633 1
1 1350 . 1 1 1 A 153 153 GLU CB C 175 28.697 29.573 -0.876 1
1 1352 . 1 1 1 A 153 153 GLU N N 175 115.885 120.289 -4.404 1
1 1353 . 1 1 1 A 154 154 ASP H H 176 7.833 7.711 0.122 1
1 1354 . 1 1 1 A 154 154 ASP HA H 176 4.873 4.586 0.287 1
1 1357 . 1 1 1 A 154 154 ASP CA C 176 53.936 55.316 -1.380 1
1 1358 . 1 1 1 A 154 154 ASP CB C 176 41.470 41.975 -0.505 1
1 1359 . 1 1 1 A 154 154 ASP N N 176 118.196 117.851 0.345 1
1 1360 . 1 1 1 A 155 155 ILE H H 177 7.007 7.523 -0.516 1
1 1361 . 1 1 1 A 155 155 ILE HA H 177 4.367 4.523 -0.156 1
1 1369 . 1 1 1 A 155 155 ILE CA C 177 61.493 59.853 1.640 1
1 1370 . 1 1 1 A 155 155 ILE CB C 177 40.374 40.075 0.299 1
1 1374 . 1 1 1 A 155 155 ILE N N 177 117.852 118.478 -0.626 1
1 1375 . 1 1 1 A 156 156 VAL H H 178 9.203 8.630 0.573 1
1 1376 . 1 1 1 A 156 156 VAL HA H 178 4.544 4.179 0.365 1
1 1381 . 1 1 1 A 156 156 VAL CA C 178 60.448 59.943 0.505 1
1 1382 . 1 1 1 A 156 156 VAL CB C 178 36.233 34.857 1.376 1
1 1384 . 1 1 1 A 156 156 VAL N N 178 126.166 123.859 2.307 1
1 1385 . 1 1 1 A 157 157 PHE H H 179 8.718 7.580 1.138 1
1 1386 . 1 1 1 A 157 157 PHE HA H 179 5.010 5.097 -0.087 1
1 1391 . 1 1 1 A 157 157 PHE CA C 179 58.363 55.950 2.413 1
1 1392 . 1 1 1 A 157 157 PHE CB C 179 38.344 40.492 -2.148 1
1 1394 . 1 1 1 A 157 157 PHE N N 179 124.905 125.526 -0.621 1
1 1395 . 1 1 1 A 158 158 LEU H H 180 7.459 8.809 -1.350 1
1 1396 . 1 1 1 A 158 158 LEU HA H 180 4.402 4.333 0.069 1
1 1397 . 1 1 1 A 158 158 LEU CA C 180 53.074 52.983 0.091 1
1 1398 . 1 1 1 A 158 158 LEU CB C 180 41.738 42.455 -0.717 1
1 1399 . 1 1 1 A 158 158 LEU N N 180 125.466 126.878 -1.412 1
1 1400 . 1 1 1 A 159 159 PRO HA H 181 4.771 4.666 0.105 1
1 1401 . 1 1 1 A 159 159 PRO CA C 181 61.916 62.506 -0.590 1
1 1402 . 1 1 1 A 159 159 PRO CB C 181 32.363 32.829 -0.466 1
1 1405 . 1 1 1 A 161 161 PRO HA H 183 4.666 4.768 -0.102 1
1 1409 . 1 1 1 A 161 161 PRO CA C 183 62.292 62.413 -0.121 1
1 1410 . 1 1 1 A 161 161 PRO CB C 183 33.337 29.333 4.004 1
1 1412 . 1 1 1 A 162 162 ASP H H 184 8.449 8.162 0.287 1
1 1413 . 1 1 1 A 162 162 ASP HA H 184 4.467 4.810 -0.343 1
1 1416 . 1 1 1 A 162 162 ASP CA C 184 54.064 55.372 -1.308 1
1 1417 . 1 1 1 A 162 162 ASP CB C 184 39.919 42.971 -3.052 1
1 1418 . 1 1 1 A 162 162 ASP N N 184 117.032 122.386 -5.354 1
1 1419 . 1 1 1 A 163 163 LYS H H 185 7.195 7.977 -0.782 1
1 1420 . 1 1 1 A 163 163 LYS HA H 185 4.588 4.112 0.476 1
1 1426 . 1 1 1 A 163 163 LYS CA C 185 55.499 56.967 -1.468 1
1 1427 . 1 1 1 A 163 163 LYS CB C 185 35.558 30.950 4.608 1
1 1431 . 1 1 1 A 163 163 LYS N N 185 115.300 115.979 -0.679 1
1 1432 . 1 1 1 A 164 164 CYS H H 186 8.427 8.439 -0.012 1
1 1433 . 1 1 1 A 164 164 CYS HA H 186 4.313 4.284 0.029 1
1 1436 . 1 1 1 A 164 164 CYS CA C 186 57.607 58.836 -1.229 1
1 1437 . 1 1 1 A 164 164 CYS CB C 186 35.042 41.913 -6.871 1
1 1438 . 1 1 1 A 164 164 CYS N N 186 107.133 123.633 -16.500 1
1 1439 . 1 1 1 A 165 165 ILE H H 187 7.881 7.548 0.333 1
1 1440 . 1 1 1 A 165 165 ILE HA H 187 4.549 4.172 0.377 1
1 1450 . 1 1 1 A 165 165 ILE CA C 187 61.529 62.620 -1.091 1
1 1451 . 1 1 1 A 165 165 ILE CB C 187 39.748 39.161 0.587 1
1 1455 . 1 1 1 A 165 165 ILE N N 187 113.570 118.539 -4.969 1
1 1456 . 1 1 1 A 166 166 GLN H H 188 8.308 7.880 0.428 1
1 1457 . 1 1 1 A 166 166 GLN HA H 188 4.303 4.132 0.171 1
1 1462 . 1 1 1 A 166 166 GLN CA C 188 56.928 56.490 0.438 1
1 1463 . 1 1 1 A 166 166 GLN CB C 188 28.637 29.822 -1.185 1
1 1465 . 1 1 1 A 166 166 GLN N N 188 122.915 120.255 2.660 1
1 3 . 2 1 1 A 2 2 SER H H 24 8.695 8.144 0.551 1
1 4 . 2 1 1 A 2 2 SER HA H 24 4.531 4.633 -0.102 1
1 6 . 2 1 1 A 2 2 SER CA C 24 58.296 58.036 0.260 1
1 7 . 2 1 1 A 2 2 SER CB C 24 63.897 63.169 0.728 1
1 8 . 2 1 1 A 2 2 SER N N 24 115.751 114.158 1.593 1
1 9 . 2 1 1 A 3 3 GLN H H 25 8.618 7.728 0.890 1
1 10 . 2 1 1 A 3 3 GLN HA H 25 4.367 4.679 -0.312 1
1 14 . 2 1 1 A 3 3 GLN CA C 25 56.059 54.493 1.566 1
1 15 . 2 1 1 A 3 3 GLN CB C 25 29.248 31.859 -2.611 1
1 17 . 2 1 1 A 3 3 GLN N N 25 122.346 117.015 5.331 1
1 18 . 2 1 1 A 4 4 GLY H H 26 8.431 8.576 -0.145 1
1 19 . 2 1 1 A 4 4 GLY HA2 H 26 3.904 4.255 -0.351 1
1 20 . 2 1 1 A 4 4 GLY CA C 26 45.171 44.167 1.004 1
1 21 . 2 1 1 A 4 4 GLY N N 26 109.885 106.696 3.189 1
1 22 . 2 1 1 A 5 5 HIS H H 27 8.342 8.570 -0.228 1
1 23 . 2 1 1 A 5 5 HIS HA H 27 4.750 5.058 -0.308 1
1 27 . 2 1 1 A 5 5 HIS CA C 27 54.946 53.750 1.196 1
1 28 . 2 1 1 A 5 5 HIS CB C 27 29.344 29.602 -0.258 1
1 30 . 2 1 1 A 5 5 HIS N N 27 117.765 117.203 0.562 1
1 31 . 2 1 1 A 6 6 ASP H H 28 8.518 8.278 0.240 1
1 32 . 2 1 1 A 6 6 ASP HA H 28 4.735 4.704 0.031 1
1 35 . 2 1 1 A 6 6 ASP CA C 28 54.282 54.280 0.002 1
1 36 . 2 1 1 A 6 6 ASP CB C 28 41.098 43.593 -2.495 1
1 37 . 2 1 1 A 6 6 ASP N N 28 121.910 121.664 0.246 1
1 38 . 2 1 1 A 7 7 THR H H 29 8.250 8.756 -0.506 1
1 39 . 2 1 1 A 7 7 THR HA H 29 4.343 4.119 0.224 1
1 44 . 2 1 1 A 7 7 THR CA C 29 62.124 65.654 -3.530 1
1 45 . 2 1 1 A 7 7 THR CB C 29 69.861 68.575 1.286 1
1 47 . 2 1 1 A 7 7 THR N N 29 116.925 119.184 -2.259 1
1 48 . 2 1 1 A 8 8 VAL H H 30 7.798 7.377 0.421 1
1 49 . 2 1 1 A 8 8 VAL HA H 30 4.369 4.785 -0.416 1
1 54 . 2 1 1 A 8 8 VAL CA C 30 60.171 60.262 -0.091 1
1 55 . 2 1 1 A 8 8 VAL CB C 30 34.758 36.136 -1.378 1
1 57 . 2 1 1 A 8 8 VAL N N 30 119.837 118.865 0.972 1
1 58 . 2 1 1 A 9 9 GLN H H 31 8.472 8.790 -0.318 1
1 59 . 2 1 1 A 9 9 GLN HA H 31 4.383 4.937 -0.554 1
1 63 . 2 1 1 A 9 9 GLN CA C 31 53.204 52.251 0.953 1
1 64 . 2 1 1 A 9 9 GLN CB C 31 29.785 29.977 -0.192 1
1 66 . 2 1 1 A 9 9 GLN N N 31 127.192 125.961 1.231 1
1 68 . 2 1 1 A 10 10 PRO HA H 32 4.426 4.462 -0.036 1
1 73 . 2 1 1 A 10 10 PRO CA C 32 63.431 63.404 0.027 1
1 74 . 2 1 1 A 10 10 PRO CB C 32 32.297 32.117 0.180 1
1 77 . 2 1 1 A 11 11 ASN H H 33 8.972 8.966 0.006 1
1 78 . 2 1 1 A 11 11 ASN HA H 33 4.539 4.872 -0.333 1
1 83 . 2 1 1 A 11 11 ASN CA C 33 53.563 52.812 0.751 1
1 84 . 2 1 1 A 11 11 ASN CB C 33 37.923 38.458 -0.535 1
1 85 . 2 1 1 A 11 11 ASN N N 33 119.013 121.596 -2.583 1
1 87 . 2 1 1 A 12 12 PHE H H 34 7.996 8.428 -0.432 1
1 88 . 2 1 1 A 12 12 PHE HA H 34 4.186 5.530 -1.344 1
1 91 . 2 1 1 A 12 12 PHE CA C 34 59.402 55.821 3.581 1
1 92 . 2 1 1 A 12 12 PHE CB C 34 39.516 40.829 -1.313 1
1 93 . 2 1 1 A 12 12 PHE N N 34 119.073 121.775 -2.702 1
1 94 . 2 1 1 A 13 13 GLN H H 35 7.402 8.921 -1.519 1
1 95 . 2 1 1 A 13 13 GLN HA H 35 4.303 4.657 -0.354 1
1 101 . 2 1 1 A 13 13 GLN CA C 35 53.093 54.290 -1.197 1
1 102 . 2 1 1 A 13 13 GLN CB C 35 29.598 31.067 -1.469 1
1 104 . 2 1 1 A 13 13 GLN N N 35 128.226 121.964 6.262 1
1 106 . 2 1 1 A 14 14 GLN H H 36 8.736 9.123 -0.387 1
1 107 . 2 1 1 A 14 14 GLN HA H 36 3.503 4.032 -0.529 1
1 110 . 2 1 1 A 14 14 GLN CA C 36 60.089 59.414 0.675 1
1 111 . 2 1 1 A 14 14 GLN CB C 36 29.596 28.520 1.076 1
1 113 . 2 1 1 A 14 14 GLN N N 36 124.702 122.540 2.162 1
1 114 . 2 1 1 A 15 15 ASP H H 37 8.628 8.666 -0.038 1
1 115 . 2 1 1 A 15 15 ASP HA H 37 4.229 4.568 -0.339 1
1 118 . 2 1 1 A 15 15 ASP CA C 37 56.326 57.115 -0.789 1
1 119 . 2 1 1 A 15 15 ASP CB C 37 39.182 39.770 -0.588 1
1 120 . 2 1 1 A 15 15 ASP N N 37 114.027 118.861 -4.834 1
1 121 . 2 1 1 A 16 16 LYS H H 38 6.859 8.248 -1.389 1
1 122 . 2 1 1 A 16 16 LYS HA H 38 4.060 4.445 -0.385 1
1 124 . 2 1 1 A 16 16 LYS CA C 38 56.445 59.206 -2.761 1
1 125 . 2 1 1 A 16 16 LYS CB C 38 31.077 32.168 -1.091 1
1 129 . 2 1 1 A 16 16 LYS N N 38 116.638 120.694 -4.056 1
1 130 . 2 1 1 A 17 17 PHE H H 39 7.454 7.843 -0.389 1
1 131 . 2 1 1 A 17 17 PHE HA H 39 4.822 4.426 0.396 1
1 135 . 2 1 1 A 17 17 PHE CA C 39 57.301 60.376 -3.075 1
1 136 . 2 1 1 A 17 17 PHE CB C 39 42.087 39.551 2.536 1
1 137 . 2 1 1 A 17 17 PHE N N 39 119.221 116.243 2.978 1
1 138 . 2 1 1 A 18 18 LEU H H 40 6.674 7.732 -1.058 1
1 139 . 2 1 1 A 18 18 LEU HA H 40 3.911 5.266 -1.355 1
1 149 . 2 1 1 A 18 18 LEU CA C 40 54.860 53.256 1.604 1
1 150 . 2 1 1 A 18 18 LEU CB C 40 42.421 45.192 -2.771 1
1 154 . 2 1 1 A 18 18 LEU N N 40 112.003 115.412 -3.409 1
1 155 . 2 1 1 A 19 19 GLY H H 41 8.876 8.184 0.692 1
1 156 . 2 1 1 A 19 19 GLY HA2 H 41 3.718 4.245 -0.527 1
1 157 . 2 1 1 A 19 19 GLY HA3 H 41 4.341 4.254 0.087 1
1 158 . 2 1 1 A 19 19 GLY CA C 41 44.093 45.445 -1.352 1
1 159 . 2 1 1 A 19 19 GLY N N 41 107.870 107.119 0.751 1
1 160 . 2 1 1 A 20 20 ARG H H 42 8.678 8.355 0.323 1
1 161 . 2 1 1 A 20 20 ARG HA H 42 4.495 4.739 -0.244 1
1 163 . 2 1 1 A 20 20 ARG CA C 42 56.924 56.143 0.781 1
1 164 . 2 1 1 A 20 20 ARG CB C 42 30.828 31.434 -0.606 1
1 165 . 2 1 1 A 20 20 ARG N N 42 121.873 120.317 1.556 1
1 166 . 2 1 1 A 21 21 TRP H H 43 9.320 9.773 -0.453 1
1 167 . 2 1 1 A 21 21 TRP HA H 43 4.685 5.218 -0.533 1
1 171 . 2 1 1 A 21 21 TRP CA C 43 55.343 56.093 -0.750 1
1 172 . 2 1 1 A 21 21 TRP CB C 43 34.550 33.249 1.301 1
1 174 . 2 1 1 A 21 21 TRP N N 43 130.676 124.616 6.060 1
1 176 . 2 1 1 A 22 22 TYR H H 44 9.661 9.379 0.282 1
1 177 . 2 1 1 A 22 22 TYR HA H 44 5.607 5.115 0.492 1
1 182 . 2 1 1 A 22 22 TYR CA C 44 56.782 56.954 -0.172 1
1 183 . 2 1 1 A 22 22 TYR CB C 44 39.975 40.479 -0.504 1
1 186 . 2 1 1 A 22 22 TYR N N 44 117.926 122.444 -4.518 1
1 187 . 2 1 1 A 23 23 SER H H 45 9.249 8.751 0.498 1
1 188 . 2 1 1 A 23 23 SER HA H 45 4.705 4.401 0.304 1
1 191 . 2 1 1 A 23 23 SER CA C 45 57.060 58.555 -1.495 1
1 192 . 2 1 1 A 23 23 SER CB C 45 62.668 63.014 -0.346 1
1 193 . 2 1 1 A 23 23 SER N N 45 119.038 120.029 -0.991 1
1 194 . 2 1 1 A 24 24 ALA H H 46 8.724 7.727 0.997 1
1 195 . 2 1 1 A 24 24 ALA HA H 46 4.877 4.750 0.127 1
1 199 . 2 1 1 A 24 24 ALA CA C 46 51.953 50.737 1.216 1
1 200 . 2 1 1 A 24 24 ALA CB C 46 22.855 22.016 0.839 1
1 201 . 2 1 1 A 24 24 ALA N N 46 126.183 126.865 -0.682 1
1 202 . 2 1 1 A 25 25 GLY H H 47 7.820 8.722 -0.902 1
1 203 . 2 1 1 A 25 25 GLY HA2 H 47 2.841 3.266 -0.425 1
1 204 . 2 1 1 A 25 25 GLY HA3 H 47 4.943 3.426 1.517 1
1 205 . 2 1 1 A 25 25 GLY CA C 47 45.285 46.171 -0.886 1
1 206 . 2 1 1 A 25 25 GLY N N 47 107.738 107.637 0.101 1
1 207 . 2 1 1 A 26 26 LEU H H 48 9.082 8.088 0.994 1
1 208 . 2 1 1 A 26 26 LEU HA H 48 5.454 4.651 0.803 1
1 217 . 2 1 1 A 26 26 LEU CA C 48 54.277 53.517 0.760 1
1 218 . 2 1 1 A 26 26 LEU CB C 48 49.097 45.120 3.977 1
1 222 . 2 1 1 A 26 26 LEU N N 48 125.132 125.455 -0.323 1
1 223 . 2 1 1 A 27 27 ALA H H 49 8.854 8.157 0.697 1
1 224 . 2 1 1 A 27 27 ALA HA H 49 5.571 5.359 0.212 1
1 228 . 2 1 1 A 27 27 ALA CA C 49 50.788 50.831 -0.043 1
1 229 . 2 1 1 A 27 27 ALA CB C 49 24.289 22.561 1.728 1
1 230 . 2 1 1 A 27 27 ALA N N 49 123.650 125.026 -1.376 1
1 231 . 2 1 1 A 28 28 SER H H 50 7.321 7.999 -0.678 1
1 232 . 2 1 1 A 28 28 SER HA H 50 4.625 4.758 -0.133 1
1 235 . 2 1 1 A 28 28 SER CA C 50 56.119 56.404 -0.285 1
1 236 . 2 1 1 A 28 28 SER CB C 50 64.886 65.717 -0.831 1
1 237 . 2 1 1 A 28 28 SER N N 50 113.858 115.763 -1.905 1
1 238 . 2 1 1 A 29 29 ASN H H 51 7.743 8.769 -1.026 1
1 239 . 2 1 1 A 29 29 ASN HA H 51 4.809 4.706 0.103 1
1 244 . 2 1 1 A 29 29 ASN CA C 51 51.651 56.924 -5.273 1
1 245 . 2 1 1 A 29 29 ASN CB C 51 37.860 38.932 -1.072 1
1 246 . 2 1 1 A 29 29 ASN N N 51 120.399 125.101 -4.702 1
1 248 . 2 1 1 A 30 30 SER H H 52 8.156 8.013 0.143 1
1 249 . 2 1 1 A 30 30 SER HA H 52 4.460 4.524 -0.064 1
1 252 . 2 1 1 A 30 30 SER CA C 52 58.432 59.257 -0.825 1
1 253 . 2 1 1 A 30 30 SER CB C 52 64.745 64.279 0.466 1
1 254 . 2 1 1 A 30 30 SER N N 52 116.012 114.651 1.361 1
1 255 . 2 1 1 A 31 31 SER H H 53 9.142 9.062 0.080 1
1 256 . 2 1 1 A 31 31 SER HA H 53 4.003 4.772 -0.769 1
1 258 . 2 1 1 A 31 31 SER N N 53 120.999 118.227 2.772 1
1 259 . 2 1 1 A 32 32 TRP H H 54 8.030 7.911 0.119 1
1 260 . 2 1 1 A 32 32 TRP HA H 54 4.329 4.347 -0.018 1
1 265 . 2 1 1 A 32 32 TRP CA C 54 60.082 61.422 -1.340 1
1 266 . 2 1 1 A 32 32 TRP CB C 54 28.641 29.255 -0.614 1
1 268 . 2 1 1 A 32 32 TRP N N 54 121.477 123.616 -2.139 1
1 270 . 2 1 1 A 33 33 PHE H H 55 7.333 8.536 -1.203 1
1 271 . 2 1 1 A 33 33 PHE HA H 55 3.603 4.058 -0.455 1
1 275 . 2 1 1 A 33 33 PHE CA C 55 61.288 62.251 -0.963 1
1 276 . 2 1 1 A 33 33 PHE CB C 55 39.446 38.493 0.953 1
1 278 . 2 1 1 A 33 33 PHE N N 55 120.174 119.289 0.885 1
1 279 . 2 1 1 A 34 34 ARG H H 56 7.860 8.349 -0.489 1
1 280 . 2 1 1 A 34 34 ARG HA H 56 3.721 3.928 -0.207 1
1 285 . 2 1 1 A 34 34 ARG CA C 56 59.457 59.248 0.209 1
1 286 . 2 1 1 A 34 34 ARG CB C 56 30.014 29.995 0.019 1
1 289 . 2 1 1 A 34 34 ARG N N 56 117.452 118.219 -0.767 1
1 290 . 2 1 1 A 35 35 GLU H H 57 7.715 7.592 0.123 1
1 291 . 2 1 1 A 35 35 GLU HA H 57 4.100 4.039 0.061 1
1 295 . 2 1 1 A 35 35 GLU CA C 57 57.997 58.833 -0.836 1
1 296 . 2 1 1 A 35 35 GLU CB C 57 29.970 29.213 0.757 1
1 298 . 2 1 1 A 35 35 GLU N N 57 116.049 118.779 -2.730 1
1 299 . 2 1 1 A 36 36 LYS H H 58 7.614 7.655 -0.041 1
1 300 . 2 1 1 A 36 36 LYS HA H 58 4.225 4.207 0.018 1
1 305 . 2 1 1 A 36 36 LYS CA C 58 55.355 56.643 -1.288 1
1 306 . 2 1 1 A 36 36 LYS CB C 58 32.528 32.712 -0.184 1
1 310 . 2 1 1 A 36 36 LYS N N 58 116.955 118.125 -1.170 1
1 311 . 2 1 1 A 37 37 LYS H H 59 7.546 7.780 -0.234 1
1 312 . 2 1 1 A 37 37 LYS HA H 59 3.403 3.990 -0.587 1
1 315 . 2 1 1 A 37 37 LYS CA C 59 59.757 58.378 1.379 1
1 316 . 2 1 1 A 37 37 LYS CB C 59 31.569 32.113 -0.544 1
1 320 . 2 1 1 A 37 37 LYS N N 59 118.551 120.632 -2.081 1
1 321 . 2 1 1 A 38 38 ALA H H 60 7.940 8.051 -0.111 1
1 322 . 2 1 1 A 38 38 ALA HA H 60 4.215 4.126 0.089 1
1 326 . 2 1 1 A 38 38 ALA CA C 60 53.352 54.250 -0.898 1
1 327 . 2 1 1 A 38 38 ALA CB C 60 19.247 18.582 0.665 1
1 328 . 2 1 1 A 38 38 ALA N N 60 118.227 121.527 -3.300 1
1 329 . 2 1 1 A 39 39 VAL H H 61 7.917 7.521 0.396 1
1 330 . 2 1 1 A 39 39 VAL HA H 61 4.466 4.175 0.291 1
1 338 . 2 1 1 A 39 39 VAL CA C 61 60.339 63.956 -3.617 1
1 339 . 2 1 1 A 39 39 VAL CB C 61 31.626 32.861 -1.235 1
1 342 . 2 1 1 A 39 39 VAL N N 61 111.011 116.621 -5.610 1
1 343 . 2 1 1 A 40 40 LEU H H 62 6.773 8.032 -1.259 1
1 344 . 2 1 1 A 40 40 LEU HA H 62 4.495 3.872 0.623 1
1 350 . 2 1 1 A 40 40 LEU CA C 62 54.357 55.942 -1.585 1
1 351 . 2 1 1 A 40 40 LEU CB C 62 43.272 40.876 2.396 1
1 353 . 2 1 1 A 40 40 LEU N N 62 121.749 122.256 -0.507 1
1 354 . 2 1 1 A 41 41 TYR H H 63 8.277 7.717 0.560 1
1 355 . 2 1 1 A 41 41 TYR HA H 63 4.837 5.535 -0.698 1
1 358 . 2 1 1 A 41 41 TYR CA C 63 56.696 55.751 0.945 1
1 359 . 2 1 1 A 41 41 TYR CB C 63 42.753 41.990 0.763 1
1 360 . 2 1 1 A 41 41 TYR N N 63 118.215 121.531 -3.316 1
1 361 . 2 1 1 A 42 42 MET H H 64 8.749 9.112 -0.363 1
1 362 . 2 1 1 A 42 42 MET HA H 64 4.324 5.242 -0.918 1
1 368 . 2 1 1 A 42 42 MET CA C 64 57.707 54.262 3.445 1
1 369 . 2 1 1 A 42 42 MET CB C 64 35.348 35.842 -0.494 1
1 372 . 2 1 1 A 42 42 MET N N 64 122.104 121.639 0.465 1
1 373 . 2 1 1 A 43 43 ALA H H 65 7.715 9.457 -1.742 1
1 374 . 2 1 1 A 43 43 ALA HA H 65 5.260 5.580 -0.320 1
1 378 . 2 1 1 A 43 43 ALA CA C 65 50.030 50.106 -0.076 1
1 379 . 2 1 1 A 43 43 ALA CB C 65 22.614 22.399 0.215 1
1 380 . 2 1 1 A 43 43 ALA N N 65 126.545 128.615 -2.070 1
1 381 . 2 1 1 A 44 44 LYS H H 66 8.405 9.495 -1.090 1
1 382 . 2 1 1 A 44 44 LYS HA H 66 4.790 4.702 0.088 1
1 385 . 2 1 1 A 44 44 LYS CA C 66 55.700 55.493 0.207 1
1 386 . 2 1 1 A 44 44 LYS CB C 66 34.887 33.021 1.866 1
1 387 . 2 1 1 A 44 44 LYS N N 66 122.330 122.055 0.275 1
1 388 . 2 1 1 A 45 45 THR H H 67 9.398 8.794 0.604 1
1 389 . 2 1 1 A 45 45 THR HA H 67 5.067 5.478 -0.411 1
1 394 . 2 1 1 A 45 45 THR CA C 67 62.069 61.968 0.101 1
1 395 . 2 1 1 A 45 45 THR CB C 67 72.034 70.528 1.506 1
1 397 . 2 1 1 A 45 45 THR N N 67 125.471 121.401 4.070 1
1 398 . 2 1 1 A 46 46 VAL H H 68 9.026 8.695 0.331 1
1 399 . 2 1 1 A 46 46 VAL HA H 68 4.510 5.114 -0.604 1
1 404 . 2 1 1 A 46 46 VAL CA C 68 61.532 61.060 0.472 1
1 405 . 2 1 1 A 46 46 VAL CB C 68 33.257 34.770 -1.513 1
1 407 . 2 1 1 A 46 46 VAL N N 68 126.960 126.386 0.574 1
1 408 . 2 1 1 A 47 47 VAL H H 69 9.346 8.733 0.613 1
1 409 . 2 1 1 A 47 47 VAL HA H 69 4.700 4.636 0.064 1
1 417 . 2 1 1 A 47 47 VAL CA C 69 61.990 61.654 0.336 1
1 418 . 2 1 1 A 47 47 VAL CB C 69 32.495 32.571 -0.076 1
1 421 . 2 1 1 A 47 47 VAL N N 69 130.792 128.966 1.826 1
1 422 . 2 1 1 A 48 48 ALA H H 70 9.268 9.345 -0.077 1
1 423 . 2 1 1 A 48 48 ALA HA H 70 5.121 4.882 0.239 1
1 427 . 2 1 1 A 48 48 ALA CA C 70 49.710 49.167 0.543 1
1 428 . 2 1 1 A 48 48 ALA CB C 70 21.349 21.028 0.321 1
1 429 . 2 1 1 A 48 48 ALA N N 70 133.796 130.185 3.611 1
1 430 . 2 1 1 A 49 49 PRO HA H 71 4.842 4.987 -0.145 1
1 433 . 2 1 1 A 49 49 PRO CA C 71 63.040 63.048 -0.008 1
1 434 . 2 1 1 A 49 49 PRO CB C 71 32.195 32.184 0.011 1
1 437 . 2 1 1 A 50 50 SER H H 72 8.025 9.326 -1.301 1
1 438 . 2 1 1 A 50 50 SER HA H 72 4.914 4.858 0.056 1
1 441 . 2 1 1 A 50 50 SER CA C 72 55.615 56.675 -1.060 1
1 442 . 2 1 1 A 50 50 SER CB C 72 65.439 65.748 -0.309 1
1 443 . 2 1 1 A 50 50 SER N N 72 117.492 117.496 -0.004 1
1 444 . 2 1 1 A 51 51 THR H H 73 8.730 8.924 -0.194 1
1 445 . 2 1 1 A 51 51 THR HA H 73 4.145 4.157 -0.012 1
1 450 . 2 1 1 A 51 51 THR CA C 73 64.544 65.358 -0.814 1
1 451 . 2 1 1 A 51 51 THR CB C 73 68.785 68.510 0.275 1
1 453 . 2 1 1 A 51 51 THR N N 73 116.878 118.735 -1.857 1
1 454 . 2 1 1 A 52 52 GLU H H 74 8.151 7.930 0.221 1
1 455 . 2 1 1 A 52 52 GLU HA H 74 4.475 4.232 0.243 1
1 459 . 2 1 1 A 52 52 GLU CA C 74 56.422 55.850 0.572 1
1 460 . 2 1 1 A 52 52 GLU CB C 74 28.860 28.955 -0.095 1
1 462 . 2 1 1 A 52 52 GLU N N 74 118.204 117.263 0.941 1
1 463 . 2 1 1 A 53 53 GLY H H 75 7.778 8.566 -0.788 1
1 464 . 2 1 1 A 53 53 GLY HA2 H 75 3.864 3.933 -0.069 1
1 465 . 2 1 1 A 53 53 GLY HA3 H 75 4.446 3.935 0.511 1
1 466 . 2 1 1 A 53 53 GLY CA C 75 45.501 45.839 -0.338 1
1 467 . 2 1 1 A 53 53 GLY N N 75 106.348 111.814 -5.466 1
1 468 . 2 1 1 A 54 54 GLY H H 76 7.775 8.020 -0.245 1
1 469 . 2 1 1 A 54 54 GLY HA2 H 76 4.177 4.132 0.045 1
1 470 . 2 1 1 A 54 54 GLY HA3 H 76 4.677 4.171 0.506 1
1 471 . 2 1 1 A 54 54 GLY CA C 76 43.906 44.819 -0.913 1
1 472 . 2 1 1 A 54 54 GLY N N 76 108.460 107.904 0.556 1
1 473 . 2 1 1 A 55 55 LEU H H 77 8.311 8.159 0.152 1
1 474 . 2 1 1 A 55 55 LEU HA H 77 5.116 5.212 -0.096 1
1 477 . 2 1 1 A 55 55 LEU CA C 77 53.425 53.330 0.095 1
1 478 . 2 1 1 A 55 55 LEU CB C 77 47.604 45.887 1.717 1
1 479 . 2 1 1 A 55 55 LEU N N 77 120.236 121.693 -1.457 1
1 480 . 2 1 1 A 56 56 ASN H H 78 9.424 10.082 -0.658 1
1 481 . 2 1 1 A 56 56 ASN HA H 78 5.149 5.340 -0.191 1
1 485 . 2 1 1 A 56 56 ASN CA C 78 52.316 52.195 0.121 1
1 486 . 2 1 1 A 56 56 ASN CB C 78 40.839 40.260 0.579 1
1 487 . 2 1 1 A 56 56 ASN N N 78 120.305 120.384 -0.079 1
1 489 . 2 1 1 A 57 57 LEU H H 79 9.259 8.453 0.806 1
1 490 . 2 1 1 A 57 57 LEU HA H 79 4.903 5.943 -1.040 1
1 491 . 2 1 1 A 57 57 LEU CA C 79 54.713 53.987 0.726 1
1 492 . 2 1 1 A 57 57 LEU CB C 79 42.533 42.581 -0.048 1
1 493 . 2 1 1 A 57 57 LEU N N 79 127.309 122.715 4.594 1
1 494 . 2 1 1 A 58 58 THR H H 80 8.973 9.688 -0.715 1
1 495 . 2 1 1 A 58 58 THR HA H 80 4.941 5.035 -0.094 1
1 500 . 2 1 1 A 58 58 THR CA C 80 62.501 62.001 0.500 1
1 501 . 2 1 1 A 58 58 THR CB C 80 68.984 69.522 -0.538 1
1 503 . 2 1 1 A 58 58 THR N N 80 122.763 119.925 2.838 1
1 504 . 2 1 1 A 59 59 SER H H 81 9.549 8.876 0.673 1
1 505 . 2 1 1 A 59 59 SER HA H 81 6.045 6.130 -0.085 1
1 507 . 2 1 1 A 59 59 SER CA C 81 57.242 56.679 0.563 1
1 508 . 2 1 1 A 59 59 SER CB C 81 65.536 64.729 0.807 1
1 509 . 2 1 1 A 59 59 SER N N 81 126.425 121.820 4.605 1
1 510 . 2 1 1 A 60 60 THR H H 82 9.332 9.201 0.131 1
1 511 . 2 1 1 A 60 60 THR HA H 82 5.464 5.399 0.065 1
1 516 . 2 1 1 A 60 60 THR CA C 82 61.719 60.472 1.247 1
1 517 . 2 1 1 A 60 60 THR CB C 82 70.846 70.902 -0.056 1
1 519 . 2 1 1 A 60 60 THR N N 82 121.445 115.292 6.153 1
1 520 . 2 1 1 A 61 61 PHE H H 83 8.794 8.179 0.615 1
1 521 . 2 1 1 A 61 61 PHE HA H 83 5.266 6.685 -1.419 1
1 525 . 2 1 1 A 61 61 PHE CA C 83 54.698 55.112 -0.414 1
1 526 . 2 1 1 A 61 61 PHE CB C 83 42.327 42.654 -0.327 1
1 528 . 2 1 1 A 61 61 PHE N N 83 121.707 120.055 1.652 1
1 529 . 2 1 1 A 62 62 LEU H H 84 8.915 8.495 0.420 1
1 530 . 2 1 1 A 62 62 LEU HA H 84 4.885 5.427 -0.542 1
1 540 . 2 1 1 A 62 62 LEU CA C 84 54.447 53.716 0.731 1
1 541 . 2 1 1 A 62 62 LEU CB C 84 43.627 44.886 -1.259 1
1 545 . 2 1 1 A 62 62 LEU N N 84 122.160 122.924 -0.764 1
1 546 . 2 1 1 A 63 63 ARG H H 85 9.213 9.474 -0.261 1
1 547 . 2 1 1 A 63 63 ARG HA H 85 4.645 5.042 -0.397 1
1 551 . 2 1 1 A 63 63 ARG CA C 85 56.244 54.916 1.328 1
1 552 . 2 1 1 A 63 63 ARG CB C 85 32.551 32.284 0.267 1
1 555 . 2 1 1 A 63 63 ARG N N 85 128.889 125.661 3.228 1
1 556 . 2 1 1 A 64 64 LYS H H 86 9.466 9.523 -0.057 1
1 557 . 2 1 1 A 64 64 LYS HA H 86 3.869 3.968 -0.099 1
1 563 . 2 1 1 A 64 64 LYS CA C 86 58.497 57.524 0.973 1
1 564 . 2 1 1 A 64 64 LYS CB C 86 30.202 30.871 -0.669 1
1 568 . 2 1 1 A 64 64 LYS N N 86 127.634 119.603 8.031 1
1 569 . 2 1 1 A 65 65 ASN H H 87 8.648 8.624 0.024 1
1 570 . 2 1 1 A 65 65 ASN HA H 87 4.500 4.333 0.167 1
1 575 . 2 1 1 A 65 65 ASN CA C 87 54.059 54.433 -0.374 1
1 576 . 2 1 1 A 65 65 ASN CB C 87 38.861 37.599 1.262 1
1 577 . 2 1 1 A 65 65 ASN N N 87 113.645 115.319 -1.674 1
1 579 . 2 1 1 A 66 66 GLN H H 88 8.009 7.642 0.367 1
1 580 . 2 1 1 A 66 66 GLN HA H 88 4.720 4.781 -0.061 1
1 586 . 2 1 1 A 66 66 GLN CA C 88 53.951 54.812 -0.861 1
1 587 . 2 1 1 A 66 66 GLN CB C 88 32.360 31.126 1.234 1
1 589 . 2 1 1 A 66 66 GLN N N 88 118.506 116.994 1.512 1
1 591 . 2 1 1 A 67 67 CYS H H 89 8.712 8.917 -0.205 1
1 592 . 2 1 1 A 67 67 CYS HA H 89 5.398 5.620 -0.222 1
1 595 . 2 1 1 A 67 67 CYS CA C 89 52.821 54.385 -1.564 1
1 596 . 2 1 1 A 67 67 CYS CB C 89 36.780 44.791 -8.011 1
1 597 . 2 1 1 A 67 67 CYS N N 89 119.694 123.741 -4.047 1
1 598 . 2 1 1 A 68 68 GLU H H 90 9.083 8.242 0.841 1
1 599 . 2 1 1 A 68 68 GLU HA H 90 4.568 4.885 -0.317 1
1 603 . 2 1 1 A 68 68 GLU CA C 90 54.905 54.423 0.482 1
1 604 . 2 1 1 A 68 68 GLU CB C 90 33.372 34.040 -0.668 1
1 606 . 2 1 1 A 68 68 GLU N N 90 126.906 123.074 3.832 1
1 607 . 2 1 1 A 69 69 THR H H 91 8.233 8.618 -0.385 1
1 608 . 2 1 1 A 69 69 THR HA H 91 5.721 5.025 0.696 1
1 613 . 2 1 1 A 69 69 THR CA C 91 60.732 59.804 0.928 1
1 614 . 2 1 1 A 69 69 THR CB C 91 71.796 72.112 -0.316 1
1 616 . 2 1 1 A 69 69 THR N N 91 115.413 116.633 -1.220 1
1 617 . 2 1 1 A 70 70 LYS H H 92 9.232 8.416 0.816 1
1 618 . 2 1 1 A 70 70 LYS HA H 92 4.847 5.270 -0.423 1
1 624 . 2 1 1 A 70 70 LYS CA C 92 54.766 54.815 -0.049 1
1 625 . 2 1 1 A 70 70 LYS CB C 92 36.982 36.917 0.065 1
1 629 . 2 1 1 A 70 70 LYS N N 92 125.378 125.000 0.378 1
1 630 . 2 1 1 A 71 71 ILE H H 93 8.751 8.847 -0.096 1
1 631 . 2 1 1 A 71 71 ILE HA H 93 5.101 5.078 0.023 1
1 641 . 2 1 1 A 71 71 ILE CA C 93 60.391 60.366 0.025 1
1 642 . 2 1 1 A 71 71 ILE CB C 93 40.534 40.644 -0.110 1
1 646 . 2 1 1 A 71 71 ILE N N 93 124.290 122.906 1.384 1
1 647 . 2 1 1 A 72 72 MET H H 94 9.003 9.031 -0.028 1
1 648 . 2 1 1 A 72 72 MET HA H 94 4.775 5.312 -0.537 1
1 651 . 2 1 1 A 72 72 MET CA C 94 54.673 54.479 0.194 1
1 652 . 2 1 1 A 72 72 MET CB C 94 36.889 37.056 -0.167 1
1 654 . 2 1 1 A 72 72 MET N N 94 127.651 125.681 1.970 1
1 655 . 2 1 1 A 73 73 VAL H H 95 8.607 8.963 -0.356 1
1 656 . 2 1 1 A 73 73 VAL HA H 95 4.740 4.926 -0.186 1
1 661 . 2 1 1 A 73 73 VAL CA C 95 62.080 60.818 1.262 1
1 662 . 2 1 1 A 73 73 VAL CB C 95 33.333 34.298 -0.965 1
1 664 . 2 1 1 A 73 73 VAL N N 95 125.436 123.011 2.425 1
1 665 . 2 1 1 A 74 74 LEU H H 96 9.278 8.682 0.596 1
1 666 . 2 1 1 A 74 74 LEU HA H 96 5.089 4.749 0.340 1
1 668 . 2 1 1 A 74 74 LEU CA C 96 53.117 52.733 0.384 1
1 669 . 2 1 1 A 74 74 LEU CB C 96 42.342 43.807 -1.465 1
1 670 . 2 1 1 A 74 74 LEU N N 96 127.760 125.588 2.172 1
1 671 . 2 1 1 A 75 75 GLN H H 97 9.280 8.471 0.809 1
1 672 . 2 1 1 A 75 75 GLN HA H 97 5.018 4.851 0.167 1
1 675 . 2 1 1 A 75 75 GLN CA C 97 53.326 51.951 1.375 1
1 676 . 2 1 1 A 75 75 GLN CB C 97 29.255 29.514 -0.259 1
1 678 . 2 1 1 A 75 75 GLN N N 97 125.135 121.986 3.149 1
1 679 . 2 1 1 A 76 76 PRO HA H 98 4.407 4.559 -0.152 1
1 682 . 2 1 1 A 76 76 PRO CA C 98 64.216 63.084 1.132 1
1 683 . 2 1 1 A 76 76 PRO CB C 98 32.365 32.505 -0.140 1
1 684 . 2 1 1 A 77 77 ALA H H 99 8.021 8.155 -0.134 1
1 685 . 2 1 1 A 77 77 ALA HA H 99 4.691 4.568 0.123 1
1 689 . 2 1 1 A 77 77 ALA CA C 99 50.927 51.279 -0.352 1
1 690 . 2 1 1 A 77 77 ALA CB C 99 20.003 19.145 0.858 1
1 691 . 2 1 1 A 77 77 ALA N N 99 126.607 125.761 0.846 1
1 692 . 2 1 1 A 78 78 GLY H H 100 8.185 8.104 0.081 1
1 693 . 2 1 1 A 78 78 GLY HA2 H 100 3.560 3.854 -0.294 1
1 694 . 2 1 1 A 78 78 GLY HA3 H 100 4.211 3.868 0.343 1
1 695 . 2 1 1 A 78 78 GLY CA C 100 45.692 47.146 -1.454 1
1 696 . 2 1 1 A 78 78 GLY N N 100 109.388 107.537 1.851 1
1 697 . 2 1 1 A 79 79 ALA H H 101 8.074 7.466 0.608 1
1 698 . 2 1 1 A 79 79 ALA HA H 101 4.624 4.376 0.248 1
1 702 . 2 1 1 A 79 79 ALA CA C 101 50.576 50.778 -0.202 1
1 703 . 2 1 1 A 79 79 ALA CB C 101 18.277 19.165 -0.888 1
1 704 . 2 1 1 A 79 79 ALA N N 101 126.934 126.264 0.670 1
1 705 . 2 1 1 A 80 80 PRO HA H 102 4.425 4.219 0.206 1
1 707 . 2 1 1 A 80 80 PRO CA C 102 63.915 63.616 0.299 1
1 708 . 2 1 1 A 80 80 PRO CB C 102 32.093 32.037 0.056 1
1 711 . 2 1 1 A 81 81 GLY H H 103 8.227 8.777 -0.550 1
1 712 . 2 1 1 A 81 81 GLY HA2 H 103 2.428 3.905 -1.477 1
1 713 . 2 1 1 A 81 81 GLY HA3 H 103 3.673 3.970 -0.297 1
1 714 . 2 1 1 A 81 81 GLY CA C 103 44.671 45.236 -0.565 1
1 715 . 2 1 1 A 81 81 GLY N N 103 111.362 111.342 0.020 1
1 716 . 2 1 1 A 82 82 HIS H H 104 7.610 7.798 -0.188 1
1 717 . 2 1 1 A 82 82 HIS HA H 104 5.169 4.757 0.412 1
1 721 . 2 1 1 A 82 82 HIS CA C 104 54.457 55.078 -0.621 1
1 722 . 2 1 1 A 82 82 HIS CB C 104 29.867 31.400 -1.533 1
1 724 . 2 1 1 A 82 82 HIS N N 104 117.393 118.964 -1.571 1
1 725 . 2 1 1 A 83 83 TYR H H 105 9.164 8.730 0.434 1
1 726 . 2 1 1 A 83 83 TYR HA H 105 5.465 5.159 0.306 1
1 730 . 2 1 1 A 83 83 TYR CA C 105 56.894 56.239 0.655 1
1 731 . 2 1 1 A 83 83 TYR CB C 105 44.686 43.435 1.251 1
1 733 . 2 1 1 A 83 83 TYR N N 105 122.473 121.362 1.111 1
1 734 . 2 1 1 A 84 84 THR H H 106 9.475 8.989 0.486 1
1 735 . 2 1 1 A 84 84 THR HA H 106 5.439 5.294 0.145 1
1 740 . 2 1 1 A 84 84 THR CA C 106 60.469 60.258 0.211 1
1 741 . 2 1 1 A 84 84 THR CB C 106 72.344 72.335 0.009 1
1 743 . 2 1 1 A 84 84 THR N N 106 112.202 113.340 -1.138 1
1 744 . 2 1 1 A 85 85 TYR H H 107 8.723 8.866 -0.143 1
1 745 . 2 1 1 A 85 85 TYR HA H 107 5.239 5.322 -0.083 1
1 749 . 2 1 1 A 85 85 TYR CA C 107 56.392 56.129 0.263 1
1 750 . 2 1 1 A 85 85 TYR CB C 107 41.653 43.217 -1.564 1
1 751 . 2 1 1 A 85 85 TYR N N 107 118.519 119.870 -1.351 1
1 752 . 2 1 1 A 86 86 SER H H 108 8.509 8.847 -0.338 1
1 753 . 2 1 1 A 86 86 SER HA H 108 4.564 4.934 -0.370 1
1 755 . 2 1 1 A 86 86 SER CA C 108 56.420 57.100 -0.680 1
1 756 . 2 1 1 A 86 86 SER CB C 108 63.939 64.072 -0.133 1
1 757 . 2 1 1 A 86 86 SER N N 108 120.384 117.204 3.180 1
1 758 . 2 1 1 A 87 87 SER H H 109 8.155 8.330 -0.175 1
1 759 . 2 1 1 A 87 87 SER HA H 109 4.519 4.588 -0.069 1
1 762 . 2 1 1 A 87 87 SER CA C 109 56.046 56.987 -0.941 1
1 763 . 2 1 1 A 87 87 SER CB C 109 63.145 63.582 -0.437 1
1 764 . 2 1 1 A 87 87 SER N N 109 120.949 124.482 -3.533 1
1 765 . 2 1 1 A 88 88 PRO HA H 110 4.287 4.676 -0.389 1
1 767 . 2 1 1 A 88 88 PRO CA C 110 64.081 62.657 1.424 1
1 768 . 2 1 1 A 88 88 PRO CB C 110 32.049 29.283 2.766 1
1 771 . 2 1 1 A 89 89 HIS H H 111 8.535 8.502 0.033 1
1 772 . 2 1 1 A 89 89 HIS HA H 111 4.421 4.789 -0.368 1
1 774 . 2 1 1 A 89 89 HIS CA C 111 56.683 57.104 -0.421 1
1 775 . 2 1 1 A 89 89 HIS CB C 111 27.859 31.299 -3.440 1
1 776 . 2 1 1 A 89 89 HIS N N 111 115.372 121.438 -6.066 1
1 777 . 2 1 1 A 90 90 SER H H 112 8.012 8.249 -0.237 1
1 778 . 2 1 1 A 90 90 SER HA H 112 4.422 4.588 -0.166 1
1 781 . 2 1 1 A 90 90 SER CA C 112 58.586 58.397 0.189 1
1 782 . 2 1 1 A 90 90 SER CB C 112 64.405 65.514 -1.109 1
1 783 . 2 1 1 A 90 90 SER N N 112 112.865 111.028 1.837 1
1 784 . 2 1 1 A 91 91 GLY H H 113 8.239 8.297 -0.058 1
1 785 . 2 1 1 A 91 91 GLY HA2 H 113 3.911 3.951 -0.040 1
1 786 . 2 1 1 A 91 91 GLY HA3 H 113 3.966 3.954 0.012 1
1 787 . 2 1 1 A 91 91 GLY CA C 113 45.627 45.407 0.220 1
1 788 . 2 1 1 A 91 91 GLY N N 113 110.848 111.397 -0.549 1
1 789 . 2 1 1 A 92 92 SER H H 114 7.757 7.945 -0.188 1
1 790 . 2 1 1 A 92 92 SER HA H 114 4.518 4.542 -0.024 1
1 792 . 2 1 1 A 92 92 SER CA C 114 58.132 58.383 -0.251 1
1 793 . 2 1 1 A 92 92 SER CB C 114 64.340 65.070 -0.730 1
1 794 . 2 1 1 A 92 92 SER N N 114 114.404 117.203 -2.799 1
1 795 . 2 1 1 A 93 93 ILE H H 115 8.456 8.764 -0.308 1
1 796 . 2 1 1 A 93 93 ILE HA H 115 4.412 4.845 -0.433 1
1 806 . 2 1 1 A 93 93 ILE CA C 115 60.573 60.335 0.238 1
1 807 . 2 1 1 A 93 93 ILE CB C 115 39.061 40.154 -1.093 1
1 811 . 2 1 1 A 93 93 ILE N N 115 124.873 123.694 1.179 1
1 812 . 2 1 1 A 94 94 HIS H H 116 8.994 9.091 -0.097 1
1 813 . 2 1 1 A 94 94 HIS HA H 116 5.309 5.309 0.000 1
1 814 . 2 1 1 A 94 94 HIS CA C 116 53.919 55.071 -1.152 1
1 815 . 2 1 1 A 94 94 HIS CB C 116 27.883 31.808 -3.925 1
1 816 . 2 1 1 A 94 94 HIS N N 116 125.591 127.006 -1.415 1
1 817 . 2 1 1 A 95 95 SER H H 117 9.153 9.048 0.105 1
1 818 . 2 1 1 A 95 95 SER HA H 117 5.101 5.214 -0.113 1
1 820 . 2 1 1 A 95 95 SER CA C 117 57.114 56.774 0.340 1
1 821 . 2 1 1 A 95 95 SER CB C 117 64.430 64.854 -0.424 1
1 822 . 2 1 1 A 95 95 SER N N 117 117.598 118.444 -0.846 1
1 823 . 2 1 1 A 96 96 VAL H H 118 9.055 9.271 -0.216 1
1 824 . 2 1 1 A 96 96 VAL HA H 118 5.009 5.077 -0.068 1
1 828 . 2 1 1 A 96 96 VAL CA C 118 61.453 59.794 1.659 1
1 829 . 2 1 1 A 96 96 VAL CB C 118 35.098 34.502 0.596 1
1 831 . 2 1 1 A 96 96 VAL N N 118 126.585 119.417 7.168 1
1 832 . 2 1 1 A 97 97 SER H H 119 9.032 8.696 0.336 1
1 833 . 2 1 1 A 97 97 SER HA H 119 5.543 4.967 0.576 1
1 835 . 2 1 1 A 97 97 SER CA C 119 56.290 56.737 -0.447 1
1 836 . 2 1 1 A 97 97 SER CB C 119 65.799 64.581 1.218 1
1 837 . 2 1 1 A 97 97 SER N N 119 121.395 121.645 -0.250 1
1 838 . 2 1 1 A 98 98 VAL H H 120 8.402 9.075 -0.673 1
1 839 . 2 1 1 A 98 98 VAL HA H 120 4.027 4.235 -0.208 1
1 847 . 2 1 1 A 98 98 VAL CA C 120 62.212 62.936 -0.724 1
1 848 . 2 1 1 A 98 98 VAL CB C 120 29.250 32.197 -2.947 1
1 851 . 2 1 1 A 98 98 VAL N N 120 124.771 128.600 -3.829 1
1 852 . 2 1 1 A 99 99 VAL H H 121 8.361 8.564 -0.203 1
1 853 . 2 1 1 A 99 99 VAL HA H 121 3.723 4.138 -0.415 1
1 858 . 2 1 1 A 99 99 VAL CA C 121 65.202 63.653 1.549 1
1 859 . 2 1 1 A 99 99 VAL CB C 121 32.718 32.944 -0.226 1
1 861 . 2 1 1 A 99 99 VAL N N 121 128.844 126.143 2.701 1
1 862 . 2 1 1 A 100 100 GLU H H 122 7.188 7.718 -0.530 1
1 863 . 2 1 1 A 100 100 GLU HA H 122 4.726 4.702 0.024 1
1 866 . 2 1 1 A 100 100 GLU CA C 122 54.951 54.924 0.027 1
1 867 . 2 1 1 A 100 100 GLU CB C 122 34.111 33.881 0.230 1
1 868 . 2 1 1 A 100 100 GLU N N 122 113.832 119.100 -5.268 1
1 869 . 2 1 1 A 101 101 ALA H H 123 8.708 8.887 -0.179 1
1 870 . 2 1 1 A 101 101 ALA HA H 123 4.365 5.096 -0.731 1
1 874 . 2 1 1 A 101 101 ALA CA C 123 52.217 50.039 2.178 1
1 875 . 2 1 1 A 101 101 ALA CB C 123 21.568 22.205 -0.637 1
1 876 . 2 1 1 A 101 101 ALA N N 123 124.349 123.587 0.762 1
1 877 . 2 1 1 A 105 105 GLU HA H 127 3.719 4.676 -0.957 1
1 878 . 2 1 1 A 105 105 GLU CA C 127 59.422 57.158 2.264 1
1 879 . 2 1 1 A 105 105 GLU CB C 127 35.689 31.944 3.745 1
1 880 . 2 1 1 A 106 106 TYR H H 128 9.359 8.045 1.314 1
1 881 . 2 1 1 A 106 106 TYR HA H 128 6.292 5.017 1.275 1
1 885 . 2 1 1 A 106 106 TYR CA C 128 58.184 56.739 1.445 1
1 886 . 2 1 1 A 106 106 TYR CB C 128 42.417 40.451 1.966 1
1 889 . 2 1 1 A 106 106 TYR N N 128 118.441 114.658 3.783 1
1 890 . 2 1 1 A 107 107 ALA H H 129 9.057 8.741 0.316 1
1 891 . 2 1 1 A 107 107 ALA HA H 129 4.724 5.412 -0.688 1
1 895 . 2 1 1 A 107 107 ALA CA C 129 51.666 50.203 1.463 1
1 896 . 2 1 1 A 107 107 ALA CB C 129 22.720 22.192 0.528 1
1 897 . 2 1 1 A 107 107 ALA N N 129 120.309 122.884 -2.575 1
1 898 . 2 1 1 A 108 108 LEU H H 130 8.889 8.831 0.058 1
1 899 . 2 1 1 A 108 108 LEU HA H 130 5.191 5.518 -0.327 1
1 908 . 2 1 1 A 108 108 LEU CA C 130 53.730 53.395 0.335 1
1 909 . 2 1 1 A 108 108 LEU CB C 130 43.792 45.572 -1.780 1
1 912 . 2 1 1 A 108 108 LEU N N 130 122.798 124.372 -1.574 1
1 913 . 2 1 1 A 109 109 LEU H H 131 9.168 9.611 -0.443 1
1 914 . 2 1 1 A 109 109 LEU HA H 131 5.410 5.213 0.197 1
1 924 . 2 1 1 A 109 109 LEU CA C 131 54.387 54.273 0.114 1
1 925 . 2 1 1 A 109 109 LEU CB C 131 45.159 45.481 -0.322 1
1 929 . 2 1 1 A 109 109 LEU N N 131 126.359 128.685 -2.326 1
1 930 . 2 1 1 A 110 110 PHE H H 132 9.150 9.162 -0.012 1
1 931 . 2 1 1 A 110 110 PHE HA H 132 5.687 5.591 0.096 1
1 935 . 2 1 1 A 110 110 PHE CA C 132 56.501 56.318 0.183 1
1 936 . 2 1 1 A 110 110 PHE CB C 132 43.567 42.147 1.420 1
1 937 . 2 1 1 A 110 110 PHE N N 132 120.892 122.568 -1.676 1
1 938 . 2 1 1 A 111 111 SER H H 133 8.978 9.481 -0.503 1
1 939 . 2 1 1 A 111 111 SER HA H 133 5.702 5.143 0.559 1
1 941 . 2 1 1 A 111 111 SER CA C 133 55.789 56.737 -0.948 1
1 942 . 2 1 1 A 111 111 SER CB C 133 65.521 64.359 1.162 1
1 943 . 2 1 1 A 111 111 SER N N 133 125.184 118.774 6.410 1
1 944 . 2 1 1 A 112 112 ARG H H 134 8.581 8.568 0.013 1
1 945 . 2 1 1 A 112 112 ARG HA H 134 5.151 5.573 -0.422 1
1 950 . 2 1 1 A 112 112 ARG CA C 134 53.502 54.403 -0.901 1
1 951 . 2 1 1 A 112 112 ARG CB C 134 34.324 33.070 1.254 1
1 954 . 2 1 1 A 112 112 ARG N N 134 120.408 126.290 -5.882 1
1 955 . 2 1 1 A 113 113 GLY H H 135 8.195 8.751 -0.556 1
1 956 . 2 1 1 A 113 113 GLY HA2 H 135 4.108 4.231 -0.123 1
1 957 . 2 1 1 A 113 113 GLY HA3 H 135 4.342 4.488 -0.146 1
1 958 . 2 1 1 A 113 113 GLY CA C 135 45.735 45.535 0.200 1
1 959 . 2 1 1 A 113 113 GLY N N 135 108.687 109.462 -0.775 1
1 960 . 2 1 1 A 114 114 THR H H 136 8.437 8.931 -0.494 1
1 961 . 2 1 1 A 114 114 THR HA H 136 4.686 4.405 0.281 1
1 966 . 2 1 1 A 114 114 THR CA C 136 61.317 62.653 -1.336 1
1 967 . 2 1 1 A 114 114 THR CB C 136 70.640 69.930 0.710 1
1 969 . 2 1 1 A 114 114 THR N N 136 112.383 111.876 0.507 1
1 970 . 2 1 1 A 115 115 LYS H H 137 8.042 8.295 -0.253 1
1 971 . 2 1 1 A 115 115 LYS HA H 137 4.457 3.808 0.649 1
1 976 . 2 1 1 A 115 115 LYS CA C 137 56.861 57.211 -0.350 1
1 977 . 2 1 1 A 115 115 LYS CB C 137 34.523 31.484 3.039 1
1 981 . 2 1 1 A 115 115 LYS N N 137 121.031 120.774 0.257 1
1 982 . 2 1 1 A 116 116 GLY H H 138 8.574 8.394 0.180 1
1 983 . 2 1 1 A 116 116 GLY HA2 H 138 3.894 3.858 0.036 1
1 984 . 2 1 1 A 116 116 GLY HA3 H 138 4.566 3.876 0.690 1
1 985 . 2 1 1 A 116 116 GLY CA C 138 44.217 46.854 -2.637 1
1 986 . 2 1 1 A 116 116 GLY N N 138 112.843 105.444 7.399 1
1 987 . 2 1 1 A 117 117 PRO HA H 139 4.452 4.654 -0.202 1
1 992 . 2 1 1 A 117 117 PRO CA C 139 63.920 62.883 1.037 1
1 993 . 2 1 1 A 117 117 PRO CB C 139 31.786 30.441 1.345 1
1 996 . 2 1 1 A 118 118 GLY H H 140 8.835 8.018 0.817 1
1 997 . 2 1 1 A 118 118 GLY HA2 H 140 4.030 3.908 0.122 1
1 998 . 2 1 1 A 118 118 GLY HA3 H 140 4.187 3.918 0.269 1
1 999 . 2 1 1 A 118 118 GLY CA C 140 45.949 46.775 -0.826 1
1 1000 . 2 1 1 A 118 118 GLY N N 140 110.324 109.416 0.908 1
1 1001 . 2 1 1 A 119 119 GLN H H 141 8.062 8.411 -0.349 1
1 1002 . 2 1 1 A 119 119 GLN HA H 141 4.067 4.465 -0.398 1
1 1005 . 2 1 1 A 119 119 GLN CA C 141 57.874 55.575 2.299 1
1 1006 . 2 1 1 A 119 119 GLN CB C 141 28.638 29.101 -0.463 1
1 1008 . 2 1 1 A 119 119 GLN N N 141 119.674 120.734 -1.060 1
1 1009 . 2 1 1 A 120 120 ASP H H 142 8.554 8.151 0.403 1
1 1010 . 2 1 1 A 120 120 ASP HA H 142 4.606 4.574 0.032 1
1 1012 . 2 1 1 A 120 120 ASP CA C 142 54.348 54.829 -0.481 1
1 1013 . 2 1 1 A 120 120 ASP CB C 142 40.529 39.384 1.145 1
1 1014 . 2 1 1 A 120 120 ASP N N 142 117.596 118.797 -1.201 1
1 1015 . 2 1 1 A 121 121 PHE H H 143 7.890 8.707 -0.817 1
1 1016 . 2 1 1 A 121 121 PHE HA H 143 4.477 4.465 0.012 1
1 1021 . 2 1 1 A 121 121 PHE CA C 143 59.232 59.324 -0.092 1
1 1022 . 2 1 1 A 121 121 PHE CB C 143 39.898 39.590 0.308 1
1 1025 . 2 1 1 A 121 121 PHE N N 143 122.226 124.603 -2.377 1
1 1026 . 2 1 1 A 122 122 ARG H H 144 7.956 8.415 -0.459 1
1 1027 . 2 1 1 A 122 122 ARG HA H 144 4.664 5.036 -0.372 1
1 1032 . 2 1 1 A 122 122 ARG CA C 144 54.337 54.075 0.262 1
1 1033 . 2 1 1 A 122 122 ARG CB C 144 34.705 33.559 1.146 1
1 1036 . 2 1 1 A 122 122 ARG N N 144 126.876 127.209 -0.333 1
1 1037 . 2 1 1 A 123 123 MET H H 145 8.444 8.532 -0.088 1
1 1038 . 2 1 1 A 123 123 MET HA H 145 5.157 4.679 0.478 1
1 1042 . 2 1 1 A 123 123 MET CA C 145 54.904 54.120 0.784 1
1 1043 . 2 1 1 A 123 123 MET CB C 145 37.618 36.109 1.509 1
1 1045 . 2 1 1 A 123 123 MET N N 145 121.767 123.539 -1.772 1
1 1046 . 2 1 1 A 124 124 ALA H H 146 9.809 8.256 1.553 1
1 1047 . 2 1 1 A 124 124 ALA HA H 146 5.801 4.024 1.777 1
1 1051 . 2 1 1 A 124 124 ALA CA C 146 50.289 49.950 0.339 1
1 1052 . 2 1 1 A 124 124 ALA CB C 146 22.630 21.080 1.550 1
1 1053 . 2 1 1 A 124 124 ALA N N 146 132.634 125.767 6.867 1
1 1054 . 2 1 1 A 125 125 THR H H 147 9.169 9.437 -0.268 1
1 1055 . 2 1 1 A 125 125 THR HA H 147 4.974 5.287 -0.313 1
1 1060 . 2 1 1 A 125 125 THR CA C 147 62.270 61.535 0.735 1
1 1061 . 2 1 1 A 125 125 THR CB C 147 71.431 71.134 0.297 1
1 1063 . 2 1 1 A 125 125 THR N N 147 118.001 117.060 0.941 1
1 1064 . 2 1 1 A 126 126 LEU H H 148 8.287 8.753 -0.466 1
1 1065 . 2 1 1 A 126 126 LEU HA H 148 4.994 5.129 -0.135 1
1 1072 . 2 1 1 A 126 126 LEU CA C 148 52.917 53.517 -0.600 1
1 1073 . 2 1 1 A 126 126 LEU CB C 148 42.487 43.113 -0.626 1
1 1076 . 2 1 1 A 126 126 LEU N N 148 128.462 128.571 -0.109 1
1 1077 . 2 1 1 A 127 127 TYR H H 149 9.352 8.758 0.594 1
1 1078 . 2 1 1 A 127 127 TYR HA H 149 5.745 4.886 0.859 1
1 1082 . 2 1 1 A 127 127 TYR CA C 149 55.277 59.142 -3.865 1
1 1083 . 2 1 1 A 127 127 TYR CB C 149 40.105 39.576 0.529 1
1 1085 . 2 1 1 A 127 127 TYR N N 149 127.854 127.373 0.481 1
1 1086 . 2 1 1 A 128 128 SER H H 150 9.808 7.839 1.969 1
1 1087 . 2 1 1 A 128 128 SER HA H 150 6.032 4.983 1.049 1
1 1090 . 2 1 1 A 128 128 SER CA C 150 55.349 56.018 -0.669 1
1 1091 . 2 1 1 A 128 128 SER CB C 150 66.028 65.715 0.313 1
1 1092 . 2 1 1 A 128 128 SER N N 150 113.673 117.834 -4.161 1
1 1093 . 2 1 1 A 129 129 ARG H H 151 8.667 8.789 -0.122 1
1 1094 . 2 1 1 A 129 129 ARG HA H 151 4.184 4.186 -0.002 1
1 1096 . 2 1 1 A 129 129 ARG CA C 151 56.959 58.762 -1.803 1
1 1097 . 2 1 1 A 129 129 ARG CB C 151 31.553 30.791 0.762 1
1 1098 . 2 1 1 A 129 129 ARG N N 151 126.102 123.604 2.498 1
1 1099 . 2 1 1 A 130 130 THR H H 152 8.244 7.545 0.699 1
1 1100 . 2 1 1 A 130 130 THR HA H 152 4.879 4.066 0.813 1
1 1105 . 2 1 1 A 130 130 THR CA C 152 59.501 60.892 -1.391 1
1 1106 . 2 1 1 A 130 130 THR CB C 152 71.244 70.938 0.306 1
1 1108 . 2 1 1 A 130 130 THR N N 152 108.224 111.942 -3.718 1
1 1109 . 2 1 1 A 131 131 GLN H H 153 8.765 8.601 0.164 1
1 1110 . 2 1 1 A 131 131 GLN HA H 153 3.664 4.168 -0.504 1
1 1117 . 2 1 1 A 131 131 GLN CA C 153 57.614 58.212 -0.598 1
1 1118 . 2 1 1 A 131 131 GLN CB C 153 28.738 29.228 -0.490 1
1 1120 . 2 1 1 A 131 131 GLN N N 153 119.385 121.409 -2.024 1
1 1122 . 2 1 1 A 132 132 THR H H 154 7.242 7.764 -0.522 1
1 1123 . 2 1 1 A 132 132 THR HA H 154 4.309 4.692 -0.383 1
1 1128 . 2 1 1 A 132 132 THR CA C 154 60.406 59.336 1.070 1
1 1129 . 2 1 1 A 132 132 THR CB C 154 70.006 70.764 -0.758 1
1 1131 . 2 1 1 A 132 132 THR N N 154 108.689 112.295 -3.606 1
1 1132 . 2 1 1 A 133 133 LEU H H 155 8.608 8.708 -0.100 1
1 1133 . 2 1 1 A 133 133 LEU HA H 155 4.631 5.185 -0.554 1
1 1143 . 2 1 1 A 133 133 LEU CA C 155 53.415 52.707 0.708 1
1 1144 . 2 1 1 A 133 133 LEU CB C 155 44.570 46.265 -1.695 1
1 1148 . 2 1 1 A 133 133 LEU N N 155 124.560 120.484 4.076 1
1 1149 . 2 1 1 A 134 134 LYS H H 156 8.157 8.725 -0.568 1
1 1150 . 2 1 1 A 134 134 LYS HA H 156 4.374 4.421 -0.047 1
1 1156 . 2 1 1 A 134 134 LYS CA C 156 56.031 54.983 1.048 1
1 1157 . 2 1 1 A 134 134 LYS CB C 156 33.505 33.975 -0.470 1
1 1161 . 2 1 1 A 134 134 LYS N N 156 123.852 120.787 3.065 1
1 1162 . 2 1 1 A 135 135 ASP H H 157 8.974 8.779 0.195 1
1 1163 . 2 1 1 A 135 135 ASP HA H 157 4.143 4.090 0.053 1
1 1165 . 2 1 1 A 135 135 ASP CA C 157 58.252 56.920 1.332 1
1 1166 . 2 1 1 A 135 135 ASP CB C 157 39.857 40.146 -0.289 1
1 1167 . 2 1 1 A 135 135 ASP N N 157 124.197 124.031 0.166 1
1 1168 . 2 1 1 A 136 136 GLU H H 158 9.287 7.870 1.417 1
1 1169 . 2 1 1 A 136 136 GLU HA H 158 4.141 4.063 0.078 1
1 1173 . 2 1 1 A 136 136 GLU CA C 158 59.348 58.858 0.490 1
1 1174 . 2 1 1 A 136 136 GLU CB C 158 28.638 29.461 -0.823 1
1 1176 . 2 1 1 A 136 136 GLU N N 158 117.885 119.663 -1.778 1
1 1177 . 2 1 1 A 137 137 LEU H H 159 7.246 8.165 -0.919 1
1 1178 . 2 1 1 A 137 137 LEU HA H 159 4.053 3.947 0.106 1
1 1187 . 2 1 1 A 137 137 LEU CA C 159 56.663 57.312 -0.649 1
1 1188 . 2 1 1 A 137 137 LEU CB C 159 41.666 41.091 0.575 1
1 1192 . 2 1 1 A 137 137 LEU N N 159 119.393 120.065 -0.672 1
1 1193 . 2 1 1 A 138 138 LYS H H 160 7.383 9.847 -2.464 1
1 1194 . 2 1 1 A 138 138 LYS HA H 160 3.997 3.868 0.129 1
1 1200 . 2 1 1 A 138 138 LYS CA C 160 60.416 59.006 1.410 1
1 1201 . 2 1 1 A 138 138 LYS CB C 160 31.478 31.645 -0.167 1
1 1205 . 2 1 1 A 138 138 LYS N N 160 119.612 121.770 -2.158 1
1 1206 . 2 1 1 A 139 139 GLU H H 161 7.978 8.161 -0.183 1
1 1207 . 2 1 1 A 139 139 GLU HA H 161 4.176 4.134 0.042 1
1 1211 . 2 1 1 A 139 139 GLU CA C 161 59.139 59.136 0.003 1
1 1212 . 2 1 1 A 139 139 GLU CB C 161 28.417 29.248 -0.831 1
1 1214 . 2 1 1 A 139 139 GLU N N 161 119.510 118.515 0.995 1
1 1215 . 2 1 1 A 140 140 LYS H H 162 7.860 7.797 0.063 1
1 1216 . 2 1 1 A 140 140 LYS HA H 162 4.089 4.072 0.017 1
1 1225 . 2 1 1 A 140 140 LYS CA C 162 59.541 58.670 0.871 1
1 1226 . 2 1 1 A 140 140 LYS CB C 162 32.078 31.870 0.208 1
1 1230 . 2 1 1 A 140 140 LYS N N 162 120.614 119.292 1.322 1
1 1231 . 2 1 1 A 141 141 PHE H H 163 8.548 8.013 0.535 1
1 1232 . 2 1 1 A 141 141 PHE HA H 163 4.444 4.289 0.155 1
1 1235 . 2 1 1 A 141 141 PHE CA C 163 61.551 61.265 0.286 1
1 1236 . 2 1 1 A 141 141 PHE CB C 163 39.975 39.056 0.919 1
1 1237 . 2 1 1 A 141 141 PHE N N 163 119.075 122.066 -2.991 1
1 1238 . 2 1 1 A 142 142 THR H H 164 8.791 8.183 0.608 1
1 1239 . 2 1 1 A 142 142 THR HA H 164 3.721 3.940 -0.219 1
1 1244 . 2 1 1 A 142 142 THR CA C 164 67.495 66.663 0.832 1
1 1245 . 2 1 1 A 142 142 THR CB C 164 68.330 68.580 -0.250 1
1 1247 . 2 1 1 A 142 142 THR N N 164 120.224 115.653 4.571 1
1 1248 . 2 1 1 A 143 143 THR H H 165 8.536 8.311 0.225 1
1 1249 . 2 1 1 A 143 143 THR HA H 165 3.764 3.920 -0.156 1
1 1254 . 2 1 1 A 143 143 THR CA C 165 66.989 66.820 0.169 1
1 1255 . 2 1 1 A 143 143 THR CB C 165 68.641 68.500 0.141 1
1 1257 . 2 1 1 A 143 143 THR N N 165 118.456 116.571 1.885 1
1 1258 . 2 1 1 A 144 144 PHE H H 166 8.264 8.070 0.194 1
1 1259 . 2 1 1 A 144 144 PHE HA H 166 4.207 4.084 0.123 1
1 1264 . 2 1 1 A 144 144 PHE CA C 166 61.233 61.945 -0.712 1
1 1265 . 2 1 1 A 144 144 PHE CB C 166 39.772 39.009 0.763 1
1 1266 . 2 1 1 A 144 144 PHE N N 166 122.676 122.120 0.556 1
1 1267 . 2 1 1 A 145 145 SER H H 167 8.077 8.247 -0.170 1
1 1268 . 2 1 1 A 145 145 SER HA H 167 3.283 3.825 -0.542 1
1 1270 . 2 1 1 A 145 145 SER CA C 167 64.031 61.275 2.756 1
1 1271 . 2 1 1 A 145 145 SER CB C 167 62.339 62.934 -0.595 1
1 1272 . 2 1 1 A 145 145 SER N N 167 115.714 114.168 1.546 1
1 1273 . 2 1 1 A 146 146 LYS H H 168 8.000 7.878 0.122 1
1 1274 . 2 1 1 A 146 146 LYS HA H 168 4.434 4.105 0.329 1
1 1278 . 2 1 1 A 146 146 LYS CA C 168 58.915 58.579 0.336 1
1 1279 . 2 1 1 A 146 146 LYS CB C 168 32.022 32.197 -0.175 1
1 1283 . 2 1 1 A 146 146 LYS N N 168 121.529 120.631 0.898 1
1 1284 . 2 1 1 A 147 147 ALA H H 169 7.726 7.773 -0.047 1
1 1285 . 2 1 1 A 147 147 ALA HA H 169 4.079 4.035 0.044 1
1 1289 . 2 1 1 A 147 147 ALA CA C 169 54.255 54.568 -0.313 1
1 1290 . 2 1 1 A 147 147 ALA CB C 169 17.264 18.209 -0.945 1
1 1291 . 2 1 1 A 147 147 ALA N N 169 123.249 121.728 1.521 1
1 1292 . 2 1 1 A 148 148 GLN H H 170 7.058 7.323 -0.265 1
1 1293 . 2 1 1 A 148 148 GLN HA H 170 4.139 4.189 -0.050 1
1 1299 . 2 1 1 A 148 148 GLN CA C 170 53.091 55.820 -2.729 1
1 1300 . 2 1 1 A 148 148 GLN CB C 170 26.931 29.031 -2.100 1
1 1302 . 2 1 1 A 148 148 GLN N N 170 113.952 115.175 -1.223 1
1 1304 . 2 1 1 A 149 149 GLY H H 171 7.651 8.347 -0.696 1
1 1305 . 2 1 1 A 149 149 GLY HA2 H 171 3.650 3.920 -0.270 1
1 1306 . 2 1 1 A 149 149 GLY HA3 H 171 4.076 3.921 0.155 1
1 1307 . 2 1 1 A 149 149 GLY CA C 171 45.335 46.385 -1.050 1
1 1308 . 2 1 1 A 149 149 GLY N N 171 106.210 108.533 -2.323 1
1 1309 . 2 1 1 A 150 150 LEU H H 172 7.395 7.462 -0.067 1
1 1310 . 2 1 1 A 150 150 LEU HA H 172 4.543 4.705 -0.162 1
1 1319 . 2 1 1 A 150 150 LEU CA C 172 53.499 53.247 0.252 1
1 1320 . 2 1 1 A 150 150 LEU CB C 172 40.838 45.920 -5.082 1
1 1324 . 2 1 1 A 150 150 LEU N N 172 120.964 120.556 0.408 1
1 1325 . 2 1 1 A 151 151 THR H H 173 8.270 8.742 -0.472 1
1 1326 . 2 1 1 A 151 151 THR HA H 173 4.515 4.653 -0.138 1
1 1331 . 2 1 1 A 151 151 THR CA C 173 60.236 61.180 -0.944 1
1 1332 . 2 1 1 A 151 151 THR CB C 173 71.307 70.331 0.976 1
1 1334 . 2 1 1 A 151 151 THR N N 173 110.762 117.495 -6.733 1
1 1335 . 2 1 1 A 152 152 GLU H H 174 9.041 8.957 0.084 1
1 1336 . 2 1 1 A 152 152 GLU HA H 174 3.908 3.939 -0.031 1
1 1340 . 2 1 1 A 152 152 GLU CA C 174 60.190 59.493 0.697 1
1 1341 . 2 1 1 A 152 152 GLU CB C 174 28.823 29.195 -0.372 1
1 1343 . 2 1 1 A 152 152 GLU N N 174 118.629 123.212 -4.583 1
1 1344 . 2 1 1 A 153 153 GLU H H 175 8.200 7.891 0.309 1
1 1345 . 2 1 1 A 153 153 GLU HA H 175 4.222 4.056 0.166 1
1 1349 . 2 1 1 A 153 153 GLU CA C 175 58.093 58.768 -0.675 1
1 1350 . 2 1 1 A 153 153 GLU CB C 175 28.697 29.448 -0.751 1
1 1352 . 2 1 1 A 153 153 GLU N N 175 115.885 119.715 -3.830 1
1 1353 . 2 1 1 A 154 154 ASP H H 176 7.833 8.036 -0.203 1
1 1354 . 2 1 1 A 154 154 ASP HA H 176 4.873 4.663 0.210 1
1 1357 . 2 1 1 A 154 154 ASP CA C 176 53.936 53.863 0.073 1
1 1358 . 2 1 1 A 154 154 ASP CB C 176 41.470 41.700 -0.230 1
1 1359 . 2 1 1 A 154 154 ASP N N 176 118.196 116.650 1.546 1
1 1360 . 2 1 1 A 155 155 ILE H H 177 7.007 7.620 -0.613 1
1 1361 . 2 1 1 A 155 155 ILE HA H 177 4.367 4.674 -0.307 1
1 1369 . 2 1 1 A 155 155 ILE CA C 177 61.493 59.351 2.142 1
1 1370 . 2 1 1 A 155 155 ILE CB C 177 40.374 41.544 -1.170 1
1 1374 . 2 1 1 A 155 155 ILE N N 177 117.852 120.284 -2.432 1
1 1375 . 2 1 1 A 156 156 VAL H H 178 9.203 8.177 1.026 1
1 1376 . 2 1 1 A 156 156 VAL HA H 178 4.544 4.353 0.191 1
1 1381 . 2 1 1 A 156 156 VAL CA C 178 60.448 60.172 0.276 1
1 1382 . 2 1 1 A 156 156 VAL CB C 178 36.233 34.847 1.386 1
1 1384 . 2 1 1 A 156 156 VAL N N 178 126.166 123.154 3.012 1
1 1385 . 2 1 1 A 157 157 PHE H H 179 8.718 8.663 0.055 1
1 1386 . 2 1 1 A 157 157 PHE HA H 179 5.010 5.041 -0.031 1
1 1391 . 2 1 1 A 157 157 PHE CA C 179 58.363 56.906 1.457 1
1 1392 . 2 1 1 A 157 157 PHE CB C 179 38.344 39.738 -1.394 1
1 1394 . 2 1 1 A 157 157 PHE N N 179 124.905 126.924 -2.019 1
1 1395 . 2 1 1 A 158 158 LEU H H 180 7.459 8.666 -1.207 1
1 1396 . 2 1 1 A 158 158 LEU HA H 180 4.402 4.420 -0.018 1
1 1397 . 2 1 1 A 158 158 LEU CA C 180 53.074 53.657 -0.583 1
1 1398 . 2 1 1 A 158 158 LEU CB C 180 41.738 41.621 0.117 1
1 1399 . 2 1 1 A 158 158 LEU N N 180 125.466 125.958 -0.492 1
1 1400 . 2 1 1 A 159 159 PRO HA H 181 4.771 4.721 0.050 1
1 1401 . 2 1 1 A 159 159 PRO CA C 181 61.916 62.386 -0.470 1
1 1402 . 2 1 1 A 159 159 PRO CB C 181 32.363 33.170 -0.807 1
1 1405 . 2 1 1 A 161 161 PRO HA H 183 4.666 4.741 -0.075 1
1 1409 . 2 1 1 A 161 161 PRO CA C 183 62.292 62.395 -0.103 1
1 1410 . 2 1 1 A 161 161 PRO CB C 183 33.337 30.961 2.376 1
1 1412 . 2 1 1 A 162 162 ASP H H 184 8.449 8.820 -0.371 1
1 1413 . 2 1 1 A 162 162 ASP HA H 184 4.467 4.965 -0.498 1
1 1416 . 2 1 1 A 162 162 ASP CA C 184 54.064 52.962 1.102 1
1 1417 . 2 1 1 A 162 162 ASP CB C 184 39.919 40.891 -0.972 1
1 1418 . 2 1 1 A 162 162 ASP N N 184 117.032 122.892 -5.860 1
1 1419 . 2 1 1 A 163 163 LYS H H 185 7.195 8.504 -1.309 1
1 1420 . 2 1 1 A 163 163 LYS HA H 185 4.588 4.590 -0.002 1
1 1426 . 2 1 1 A 163 163 LYS CA C 185 55.499 55.511 -0.012 1
1 1427 . 2 1 1 A 163 163 LYS CB C 185 35.558 32.359 3.199 1
1 1431 . 2 1 1 A 163 163 LYS N N 185 115.300 119.677 -4.377 1
1 1432 . 2 1 1 A 164 164 CYS H H 186 8.427 7.560 0.867 1
1 1433 . 2 1 1 A 164 164 CYS HA H 186 4.313 4.740 -0.427 1
1 1436 . 2 1 1 A 164 164 CYS CA C 186 57.607 54.424 3.183 1
1 1437 . 2 1 1 A 164 164 CYS CB C 186 35.042 44.955 -9.913 1
1 1438 . 2 1 1 A 164 164 CYS N N 186 107.133 117.750 -10.617 1
1 1439 . 2 1 1 A 165 165 ILE H H 187 7.881 8.238 -0.357 1
1 1440 . 2 1 1 A 165 165 ILE HA H 187 4.549 4.226 0.323 1
1 1450 . 2 1 1 A 165 165 ILE CA C 187 61.529 62.532 -1.003 1
1 1451 . 2 1 1 A 165 165 ILE CB C 187 39.748 38.667 1.081 1
1 1455 . 2 1 1 A 165 165 ILE N N 187 113.570 121.820 -8.250 1
1 1456 . 2 1 1 A 166 166 GLN H H 188 8.308 7.872 0.436 1
1 1457 . 2 1 1 A 166 166 GLN HA H 188 4.303 4.158 0.145 1
1 1462 . 2 1 1 A 166 166 GLN CA C 188 56.928 57.023 -0.095 1
1 1463 . 2 1 1 A 166 166 GLN CB C 188 28.637 28.820 -0.183 1
1 1465 . 2 1 1 A 166 166 GLN N N 188 122.915 120.757 2.158 1
1 3 . 3 1 1 A 2 2 SER H H 24 8.695 8.233 0.462 1
1 4 . 3 1 1 A 2 2 SER HA H 24 4.531 4.183 0.348 1
1 6 . 3 1 1 A 2 2 SER CA C 24 58.296 59.056 -0.760 1
1 7 . 3 1 1 A 2 2 SER CB C 24 63.897 62.142 1.755 1
1 8 . 3 1 1 A 2 2 SER N N 24 115.751 114.892 0.859 1
1 9 . 3 1 1 A 3 3 GLN H H 25 8.618 8.636 -0.018 1
1 10 . 3 1 1 A 3 3 GLN HA H 25 4.367 4.117 0.250 1
1 14 . 3 1 1 A 3 3 GLN CA C 25 56.059 56.775 -0.716 1
1 15 . 3 1 1 A 3 3 GLN CB C 25 29.248 27.467 1.781 1
1 17 . 3 1 1 A 3 3 GLN N N 25 122.346 124.946 -2.600 1
1 18 . 3 1 1 A 4 4 GLY H H 26 8.431 8.392 0.039 1
1 19 . 3 1 1 A 4 4 GLY HA2 H 26 3.904 4.146 -0.242 1
1 20 . 3 1 1 A 4 4 GLY CA C 26 45.171 45.468 -0.297 1
1 21 . 3 1 1 A 4 4 GLY N N 26 109.885 110.157 -0.272 1
1 22 . 3 1 1 A 5 5 HIS H H 27 8.342 8.092 0.250 1
1 23 . 3 1 1 A 5 5 HIS HA H 27 4.750 4.888 -0.138 1
1 27 . 3 1 1 A 5 5 HIS CA C 27 54.946 56.712 -1.766 1
1 28 . 3 1 1 A 5 5 HIS CB C 27 29.344 32.313 -2.969 1
1 30 . 3 1 1 A 5 5 HIS N N 27 117.765 117.483 0.282 1
1 31 . 3 1 1 A 6 6 ASP H H 28 8.518 7.836 0.682 1
1 32 . 3 1 1 A 6 6 ASP HA H 28 4.735 4.826 -0.091 1
1 35 . 3 1 1 A 6 6 ASP CA C 28 54.282 53.335 0.947 1
1 36 . 3 1 1 A 6 6 ASP CB C 28 41.098 43.732 -2.634 1
1 37 . 3 1 1 A 6 6 ASP N N 28 121.910 115.250 6.660 1
1 38 . 3 1 1 A 7 7 THR H H 29 8.250 8.565 -0.315 1
1 39 . 3 1 1 A 7 7 THR HA H 29 4.343 4.481 -0.138 1
1 44 . 3 1 1 A 7 7 THR CA C 29 62.124 63.542 -1.418 1
1 45 . 3 1 1 A 7 7 THR CB C 29 69.861 69.299 0.562 1
1 47 . 3 1 1 A 7 7 THR N N 29 116.925 116.903 0.022 1
1 48 . 3 1 1 A 8 8 VAL H H 30 7.798 7.786 0.012 1
1 49 . 3 1 1 A 8 8 VAL HA H 30 4.369 4.724 -0.355 1
1 54 . 3 1 1 A 8 8 VAL CA C 30 60.171 60.770 -0.599 1
1 55 . 3 1 1 A 8 8 VAL CB C 30 34.758 35.427 -0.669 1
1 57 . 3 1 1 A 8 8 VAL N N 30 119.837 120.136 -0.299 1
1 58 . 3 1 1 A 9 9 GLN H H 31 8.472 8.832 -0.360 1
1 59 . 3 1 1 A 9 9 GLN HA H 31 4.383 4.763 -0.380 1
1 63 . 3 1 1 A 9 9 GLN CA C 31 53.204 52.602 0.602 1
1 64 . 3 1 1 A 9 9 GLN CB C 31 29.785 29.537 0.248 1
1 66 . 3 1 1 A 9 9 GLN N N 31 127.192 126.307 0.885 1
1 68 . 3 1 1 A 10 10 PRO HA H 32 4.426 4.431 -0.005 1
1 73 . 3 1 1 A 10 10 PRO CA C 32 63.431 62.874 0.557 1
1 74 . 3 1 1 A 10 10 PRO CB C 32 32.297 32.700 -0.403 1
1 77 . 3 1 1 A 11 11 ASN H H 33 8.972 9.023 -0.051 1
1 78 . 3 1 1 A 11 11 ASN HA H 33 4.539 4.359 0.180 1
1 83 . 3 1 1 A 11 11 ASN CA C 33 53.563 53.980 -0.417 1
1 84 . 3 1 1 A 11 11 ASN CB C 33 37.923 37.050 0.873 1
1 85 . 3 1 1 A 11 11 ASN N N 33 119.013 120.084 -1.071 1
1 87 . 3 1 1 A 12 12 PHE H H 34 7.996 7.913 0.083 1
1 88 . 3 1 1 A 12 12 PHE HA H 34 4.186 4.784 -0.598 1
1 91 . 3 1 1 A 12 12 PHE CA C 34 59.402 57.383 2.019 1
1 92 . 3 1 1 A 12 12 PHE CB C 34 39.516 40.122 -0.606 1
1 93 . 3 1 1 A 12 12 PHE N N 34 119.073 118.428 0.645 1
1 94 . 3 1 1 A 13 13 GLN H H 35 7.402 8.986 -1.584 1
1 95 . 3 1 1 A 13 13 GLN HA H 35 4.303 4.840 -0.537 1
1 101 . 3 1 1 A 13 13 GLN CA C 35 53.093 54.606 -1.513 1
1 102 . 3 1 1 A 13 13 GLN CB C 35 29.598 30.892 -1.294 1
1 104 . 3 1 1 A 13 13 GLN N N 35 128.226 123.005 5.221 1
1 106 . 3 1 1 A 14 14 GLN H H 36 8.736 8.853 -0.117 1
1 107 . 3 1 1 A 14 14 GLN HA H 36 3.503 4.284 -0.781 1
1 110 . 3 1 1 A 14 14 GLN CA C 36 60.089 58.642 1.447 1
1 111 . 3 1 1 A 14 14 GLN CB C 36 29.596 28.086 1.510 1
1 113 . 3 1 1 A 14 14 GLN N N 36 124.702 124.570 0.132 1
1 114 . 3 1 1 A 15 15 ASP H H 37 8.628 8.627 0.001 1
1 115 . 3 1 1 A 15 15 ASP HA H 37 4.229 4.432 -0.203 1
1 118 . 3 1 1 A 15 15 ASP CA C 37 56.326 57.033 -0.707 1
1 119 . 3 1 1 A 15 15 ASP CB C 37 39.182 40.260 -1.078 1
1 120 . 3 1 1 A 15 15 ASP N N 37 114.027 120.050 -6.023 1
1 121 . 3 1 1 A 16 16 LYS H H 38 6.859 7.644 -0.785 1
1 122 . 3 1 1 A 16 16 LYS HA H 38 4.060 4.144 -0.084 1
1 124 . 3 1 1 A 16 16 LYS CA C 38 56.445 58.757 -2.312 1
1 125 . 3 1 1 A 16 16 LYS CB C 38 31.077 32.067 -0.990 1
1 129 . 3 1 1 A 16 16 LYS N N 38 116.638 119.754 -3.116 1
1 130 . 3 1 1 A 17 17 PHE H H 39 7.454 8.073 -0.619 1
1 131 . 3 1 1 A 17 17 PHE HA H 39 4.822 4.567 0.255 1
1 135 . 3 1 1 A 17 17 PHE CA C 39 57.301 60.869 -3.568 1
1 136 . 3 1 1 A 17 17 PHE CB C 39 42.087 39.062 3.025 1
1 137 . 3 1 1 A 17 17 PHE N N 39 119.221 117.902 1.319 1
1 138 . 3 1 1 A 18 18 LEU H H 40 6.674 7.615 -0.941 1
1 139 . 3 1 1 A 18 18 LEU HA H 40 3.911 4.433 -0.522 1
1 149 . 3 1 1 A 18 18 LEU CA C 40 54.860 55.521 -0.661 1
1 150 . 3 1 1 A 18 18 LEU CB C 40 42.421 40.436 1.985 1
1 154 . 3 1 1 A 18 18 LEU N N 40 112.003 119.815 -7.812 1
1 155 . 3 1 1 A 19 19 GLY H H 41 8.876 8.029 0.847 1
1 156 . 3 1 1 A 19 19 GLY HA2 H 41 3.718 4.233 -0.515 1
1 157 . 3 1 1 A 19 19 GLY HA3 H 41 4.341 4.250 0.091 1
1 158 . 3 1 1 A 19 19 GLY CA C 41 44.093 45.968 -1.875 1
1 159 . 3 1 1 A 19 19 GLY N N 41 107.870 110.898 -3.028 1
1 160 . 3 1 1 A 20 20 ARG H H 42 8.678 8.361 0.317 1
1 161 . 3 1 1 A 20 20 ARG HA H 42 4.495 4.786 -0.291 1
1 163 . 3 1 1 A 20 20 ARG CA C 42 56.924 55.845 1.079 1
1 164 . 3 1 1 A 20 20 ARG CB C 42 30.828 30.969 -0.141 1
1 165 . 3 1 1 A 20 20 ARG N N 42 121.873 116.745 5.128 1
1 166 . 3 1 1 A 21 21 TRP H H 43 9.320 9.289 0.031 1
1 167 . 3 1 1 A 21 21 TRP HA H 43 4.685 5.240 -0.555 1
1 171 . 3 1 1 A 21 21 TRP CA C 43 55.343 55.645 -0.302 1
1 172 . 3 1 1 A 21 21 TRP CB C 43 34.550 34.412 0.138 1
1 174 . 3 1 1 A 21 21 TRP N N 43 130.676 121.729 8.947 1
1 176 . 3 1 1 A 22 22 TYR H H 44 9.661 9.251 0.410 1
1 177 . 3 1 1 A 22 22 TYR HA H 44 5.607 5.158 0.449 1
1 182 . 3 1 1 A 22 22 TYR CA C 44 56.782 56.871 -0.089 1
1 183 . 3 1 1 A 22 22 TYR CB C 44 39.975 40.899 -0.924 1
1 186 . 3 1 1 A 22 22 TYR N N 44 117.926 120.407 -2.481 1
1 187 . 3 1 1 A 23 23 SER H H 45 9.249 9.211 0.038 1
1 188 . 3 1 1 A 23 23 SER HA H 45 4.705 4.527 0.178 1
1 191 . 3 1 1 A 23 23 SER CA C 45 57.060 58.412 -1.352 1
1 192 . 3 1 1 A 23 23 SER CB C 45 62.668 62.773 -0.105 1
1 193 . 3 1 1 A 23 23 SER N N 45 119.038 120.734 -1.696 1
1 194 . 3 1 1 A 24 24 ALA H H 46 8.724 8.028 0.696 1
1 195 . 3 1 1 A 24 24 ALA HA H 46 4.877 4.796 0.081 1
1 199 . 3 1 1 A 24 24 ALA CA C 46 51.953 50.848 1.105 1
1 200 . 3 1 1 A 24 24 ALA CB C 46 22.855 21.925 0.930 1
1 201 . 3 1 1 A 24 24 ALA N N 46 126.183 128.961 -2.778 1
1 202 . 3 1 1 A 25 25 GLY H H 47 7.820 8.701 -0.881 1
1 203 . 3 1 1 A 25 25 GLY HA2 H 47 2.841 3.309 -0.468 1
1 204 . 3 1 1 A 25 25 GLY HA3 H 47 4.943 3.405 1.538 1
1 205 . 3 1 1 A 25 25 GLY CA C 47 45.285 45.658 -0.373 1
1 206 . 3 1 1 A 25 25 GLY N N 47 107.738 107.591 0.147 1
1 207 . 3 1 1 A 26 26 LEU H H 48 9.082 8.113 0.969 1
1 208 . 3 1 1 A 26 26 LEU HA H 48 5.454 4.796 0.658 1
1 217 . 3 1 1 A 26 26 LEU CA C 48 54.277 53.585 0.692 1
1 218 . 3 1 1 A 26 26 LEU CB C 48 49.097 45.767 3.330 1
1 222 . 3 1 1 A 26 26 LEU N N 48 125.132 125.527 -0.395 1
1 223 . 3 1 1 A 27 27 ALA H H 49 8.854 8.235 0.619 1
1 224 . 3 1 1 A 27 27 ALA HA H 49 5.571 5.332 0.239 1
1 228 . 3 1 1 A 27 27 ALA CA C 49 50.788 51.157 -0.369 1
1 229 . 3 1 1 A 27 27 ALA CB C 49 24.289 22.326 1.963 1
1 230 . 3 1 1 A 27 27 ALA N N 49 123.650 124.989 -1.339 1
1 231 . 3 1 1 A 28 28 SER H H 50 7.321 8.528 -1.207 1
1 232 . 3 1 1 A 28 28 SER HA H 50 4.625 4.750 -0.125 1
1 235 . 3 1 1 A 28 28 SER CA C 50 56.119 56.410 -0.291 1
1 236 . 3 1 1 A 28 28 SER CB C 50 64.886 65.939 -1.053 1
1 237 . 3 1 1 A 28 28 SER N N 50 113.858 116.572 -2.714 1
1 238 . 3 1 1 A 29 29 ASN H H 51 7.743 9.014 -1.271 1
1 239 . 3 1 1 A 29 29 ASN HA H 51 4.809 4.500 0.309 1
1 244 . 3 1 1 A 29 29 ASN CA C 51 51.651 55.664 -4.013 1
1 245 . 3 1 1 A 29 29 ASN CB C 51 37.860 37.525 0.335 1
1 246 . 3 1 1 A 29 29 ASN N N 51 120.399 121.211 -0.812 1
1 248 . 3 1 1 A 30 30 SER H H 52 8.156 8.005 0.151 1
1 249 . 3 1 1 A 30 30 SER HA H 52 4.460 4.578 -0.118 1
1 252 . 3 1 1 A 30 30 SER CA C 52 58.432 59.023 -0.591 1
1 253 . 3 1 1 A 30 30 SER CB C 52 64.745 64.671 0.074 1
1 254 . 3 1 1 A 30 30 SER N N 52 116.012 115.949 0.063 1
1 255 . 3 1 1 A 31 31 SER H H 53 9.142 8.739 0.403 1
1 256 . 3 1 1 A 31 31 SER HA H 53 4.003 4.913 -0.910 1
1 258 . 3 1 1 A 31 31 SER N N 53 120.999 116.495 4.504 1
1 259 . 3 1 1 A 32 32 TRP H H 54 8.030 8.004 0.026 1
1 260 . 3 1 1 A 32 32 TRP HA H 54 4.329 4.309 0.020 1
1 265 . 3 1 1 A 32 32 TRP CA C 54 60.082 60.662 -0.580 1
1 266 . 3 1 1 A 32 32 TRP CB C 54 28.641 28.958 -0.317 1
1 268 . 3 1 1 A 32 32 TRP N N 54 121.477 122.910 -1.433 1
1 270 . 3 1 1 A 33 33 PHE H H 55 7.333 8.534 -1.201 1
1 271 . 3 1 1 A 33 33 PHE HA H 55 3.603 4.226 -0.623 1
1 275 . 3 1 1 A 33 33 PHE CA C 55 61.288 62.361 -1.073 1
1 276 . 3 1 1 A 33 33 PHE CB C 55 39.446 38.784 0.662 1
1 278 . 3 1 1 A 33 33 PHE N N 55 120.174 118.610 1.564 1
1 279 . 3 1 1 A 34 34 ARG H H 56 7.860 8.344 -0.484 1
1 280 . 3 1 1 A 34 34 ARG HA H 56 3.721 4.066 -0.345 1
1 285 . 3 1 1 A 34 34 ARG CA C 56 59.457 59.761 -0.304 1
1 286 . 3 1 1 A 34 34 ARG CB C 56 30.014 29.937 0.077 1
1 289 . 3 1 1 A 34 34 ARG N N 56 117.452 119.840 -2.388 1
1 290 . 3 1 1 A 35 35 GLU H H 57 7.715 7.621 0.094 1
1 291 . 3 1 1 A 35 35 GLU HA H 57 4.100 4.130 -0.030 1
1 295 . 3 1 1 A 35 35 GLU CA C 57 57.997 58.684 -0.687 1
1 296 . 3 1 1 A 35 35 GLU CB C 57 29.970 29.518 0.452 1
1 298 . 3 1 1 A 35 35 GLU N N 57 116.049 119.572 -3.523 1
1 299 . 3 1 1 A 36 36 LYS H H 58 7.614 7.807 -0.193 1
1 300 . 3 1 1 A 36 36 LYS HA H 58 4.225 4.436 -0.211 1
1 305 . 3 1 1 A 36 36 LYS CA C 58 55.355 56.412 -1.057 1
1 306 . 3 1 1 A 36 36 LYS CB C 58 32.528 32.593 -0.065 1
1 310 . 3 1 1 A 36 36 LYS N N 58 116.955 118.325 -1.370 1
1 311 . 3 1 1 A 37 37 LYS H H 59 7.546 8.701 -1.155 1
1 312 . 3 1 1 A 37 37 LYS HA H 59 3.403 4.009 -0.606 1
1 315 . 3 1 1 A 37 37 LYS CA C 59 59.757 58.915 0.842 1
1 316 . 3 1 1 A 37 37 LYS CB C 59 31.569 31.596 -0.027 1
1 320 . 3 1 1 A 37 37 LYS N N 59 118.551 118.963 -0.412 1
1 321 . 3 1 1 A 38 38 ALA H H 60 7.940 8.087 -0.147 1
1 322 . 3 1 1 A 38 38 ALA HA H 60 4.215 4.036 0.179 1
1 326 . 3 1 1 A 38 38 ALA CA C 60 53.352 54.392 -1.040 1
1 327 . 3 1 1 A 38 38 ALA CB C 60 19.247 18.421 0.826 1
1 328 . 3 1 1 A 38 38 ALA N N 60 118.227 121.816 -3.589 1
1 329 . 3 1 1 A 39 39 VAL H H 61 7.917 7.597 0.320 1
1 330 . 3 1 1 A 39 39 VAL HA H 61 4.466 3.896 0.570 1
1 338 . 3 1 1 A 39 39 VAL CA C 61 60.339 64.699 -4.360 1
1 339 . 3 1 1 A 39 39 VAL CB C 61 31.626 31.744 -0.118 1
1 342 . 3 1 1 A 39 39 VAL N N 61 111.011 114.053 -3.042 1
1 343 . 3 1 1 A 40 40 LEU H H 62 6.773 7.522 -0.749 1
1 344 . 3 1 1 A 40 40 LEU HA H 62 4.495 4.092 0.403 1
1 350 . 3 1 1 A 40 40 LEU CA C 62 54.357 55.576 -1.219 1
1 351 . 3 1 1 A 40 40 LEU CB C 62 43.272 40.916 2.356 1
1 353 . 3 1 1 A 40 40 LEU N N 62 121.749 120.574 1.175 1
1 354 . 3 1 1 A 41 41 TYR H H 63 8.277 9.142 -0.865 1
1 355 . 3 1 1 A 41 41 TYR HA H 63 4.837 5.257 -0.420 1
1 358 . 3 1 1 A 41 41 TYR CA C 63 56.696 56.588 0.108 1
1 359 . 3 1 1 A 41 41 TYR CB C 63 42.753 42.753 0.000 1
1 360 . 3 1 1 A 41 41 TYR N N 63 118.215 122.913 -4.698 1
1 361 . 3 1 1 A 42 42 MET H H 64 8.749 8.915 -0.166 1
1 362 . 3 1 1 A 42 42 MET HA H 64 4.324 5.032 -0.708 1
1 368 . 3 1 1 A 42 42 MET CA C 64 57.707 54.769 2.938 1
1 369 . 3 1 1 A 42 42 MET CB C 64 35.348 35.916 -0.568 1
1 372 . 3 1 1 A 42 42 MET N N 64 122.104 123.617 -1.513 1
1 373 . 3 1 1 A 43 43 ALA H H 65 7.715 9.140 -1.425 1
1 374 . 3 1 1 A 43 43 ALA HA H 65 5.260 5.659 -0.399 1
1 378 . 3 1 1 A 43 43 ALA CA C 65 50.030 50.136 -0.106 1
1 379 . 3 1 1 A 43 43 ALA CB C 65 22.614 22.011 0.603 1
1 380 . 3 1 1 A 43 43 ALA N N 65 126.545 128.654 -2.109 1
1 381 . 3 1 1 A 44 44 LYS H H 66 8.405 9.592 -1.187 1
1 382 . 3 1 1 A 44 44 LYS HA H 66 4.790 4.771 0.019 1
1 385 . 3 1 1 A 44 44 LYS CA C 66 55.700 54.894 0.806 1
1 386 . 3 1 1 A 44 44 LYS CB C 66 34.887 33.674 1.213 1
1 387 . 3 1 1 A 44 44 LYS N N 66 122.330 123.097 -0.767 1
1 388 . 3 1 1 A 45 45 THR H H 67 9.398 8.612 0.786 1
1 389 . 3 1 1 A 45 45 THR HA H 67 5.067 5.430 -0.363 1
1 394 . 3 1 1 A 45 45 THR CA C 67 62.069 62.034 0.035 1
1 395 . 3 1 1 A 45 45 THR CB C 67 72.034 70.675 1.359 1
1 397 . 3 1 1 A 45 45 THR N N 67 125.471 123.595 1.876 1
1 398 . 3 1 1 A 46 46 VAL H H 68 9.026 8.626 0.400 1
1 399 . 3 1 1 A 46 46 VAL HA H 68 4.510 5.278 -0.768 1
1 404 . 3 1 1 A 46 46 VAL CA C 68 61.532 61.131 0.401 1
1 405 . 3 1 1 A 46 46 VAL CB C 68 33.257 34.883 -1.626 1
1 407 . 3 1 1 A 46 46 VAL N N 68 126.960 125.699 1.261 1
1 408 . 3 1 1 A 47 47 VAL H H 69 9.346 8.917 0.429 1
1 409 . 3 1 1 A 47 47 VAL HA H 69 4.700 4.651 0.049 1
1 417 . 3 1 1 A 47 47 VAL CA C 69 61.990 61.538 0.452 1
1 418 . 3 1 1 A 47 47 VAL CB C 69 32.495 32.663 -0.168 1
1 421 . 3 1 1 A 47 47 VAL N N 69 130.792 128.761 2.031 1
1 422 . 3 1 1 A 48 48 ALA H H 70 9.268 9.356 -0.088 1
1 423 . 3 1 1 A 48 48 ALA HA H 70 5.121 5.038 0.083 1
1 427 . 3 1 1 A 48 48 ALA CA C 70 49.710 49.364 0.346 1
1 428 . 3 1 1 A 48 48 ALA CB C 70 21.349 20.621 0.728 1
1 429 . 3 1 1 A 48 48 ALA N N 70 133.796 130.748 3.048 1
1 430 . 3 1 1 A 49 49 PRO HA H 71 4.842 5.229 -0.387 1
1 433 . 3 1 1 A 49 49 PRO CA C 71 63.040 62.717 0.323 1
1 434 . 3 1 1 A 49 49 PRO CB C 71 32.195 31.495 0.700 1
1 437 . 3 1 1 A 50 50 SER H H 72 8.025 9.007 -0.982 1
1 438 . 3 1 1 A 50 50 SER HA H 72 4.914 4.856 0.058 1
1 441 . 3 1 1 A 50 50 SER CA C 72 55.615 56.548 -0.933 1
1 442 . 3 1 1 A 50 50 SER CB C 72 65.439 65.225 0.214 1
1 443 . 3 1 1 A 50 50 SER N N 72 117.492 118.510 -1.018 1
1 444 . 3 1 1 A 51 51 THR H H 73 8.730 9.359 -0.629 1
1 445 . 3 1 1 A 51 51 THR HA H 73 4.145 4.175 -0.030 1
1 450 . 3 1 1 A 51 51 THR CA C 73 64.544 65.411 -0.867 1
1 451 . 3 1 1 A 51 51 THR CB C 73 68.785 68.613 0.172 1
1 453 . 3 1 1 A 51 51 THR N N 73 116.878 121.251 -4.373 1
1 454 . 3 1 1 A 52 52 GLU H H 74 8.151 8.044 0.107 1
1 455 . 3 1 1 A 52 52 GLU HA H 74 4.475 4.314 0.161 1
1 459 . 3 1 1 A 52 52 GLU CA C 74 56.422 57.082 -0.660 1
1 460 . 3 1 1 A 52 52 GLU CB C 74 28.860 29.922 -1.062 1
1 462 . 3 1 1 A 52 52 GLU N N 74 118.204 120.287 -2.083 1
1 463 . 3 1 1 A 53 53 GLY H H 75 7.778 7.078 0.700 1
1 464 . 3 1 1 A 53 53 GLY HA2 H 75 3.864 4.036 -0.172 1
1 465 . 3 1 1 A 53 53 GLY HA3 H 75 4.446 4.040 0.406 1
1 466 . 3 1 1 A 53 53 GLY CA C 75 45.501 45.448 0.053 1
1 467 . 3 1 1 A 53 53 GLY N N 75 106.348 106.226 0.122 1
1 468 . 3 1 1 A 54 54 GLY H H 76 7.775 8.120 -0.345 1
1 469 . 3 1 1 A 54 54 GLY HA2 H 76 4.177 3.863 0.314 1
1 470 . 3 1 1 A 54 54 GLY HA3 H 76 4.677 3.866 0.811 1
1 471 . 3 1 1 A 54 54 GLY CA C 76 43.906 47.329 -3.423 1
1 472 . 3 1 1 A 54 54 GLY N N 76 108.460 108.638 -0.178 1
1 473 . 3 1 1 A 55 55 LEU H H 77 8.311 8.092 0.219 1
1 474 . 3 1 1 A 55 55 LEU HA H 77 5.116 5.449 -0.333 1
1 477 . 3 1 1 A 55 55 LEU CA C 77 53.425 53.238 0.187 1
1 478 . 3 1 1 A 55 55 LEU CB C 77 47.604 45.026 2.578 1
1 479 . 3 1 1 A 55 55 LEU N N 77 120.236 124.292 -4.056 1
1 480 . 3 1 1 A 56 56 ASN H H 78 9.424 9.829 -0.405 1
1 481 . 3 1 1 A 56 56 ASN HA H 78 5.149 5.449 -0.300 1
1 485 . 3 1 1 A 56 56 ASN CA C 78 52.316 51.985 0.331 1
1 486 . 3 1 1 A 56 56 ASN CB C 78 40.839 40.677 0.162 1
1 487 . 3 1 1 A 56 56 ASN N N 78 120.305 120.930 -0.625 1
1 489 . 3 1 1 A 57 57 LEU H H 79 9.259 8.381 0.878 1
1 490 . 3 1 1 A 57 57 LEU HA H 79 4.903 5.907 -1.004 1
1 491 . 3 1 1 A 57 57 LEU CA C 79 54.713 54.094 0.619 1
1 492 . 3 1 1 A 57 57 LEU CB C 79 42.533 42.397 0.136 1
1 493 . 3 1 1 A 57 57 LEU N N 79 127.309 122.979 4.330 1
1 494 . 3 1 1 A 58 58 THR H H 80 8.973 9.714 -0.741 1
1 495 . 3 1 1 A 58 58 THR HA H 80 4.941 5.038 -0.097 1
1 500 . 3 1 1 A 58 58 THR CA C 80 62.501 62.048 0.453 1
1 501 . 3 1 1 A 58 58 THR CB C 80 68.984 69.667 -0.683 1
1 503 . 3 1 1 A 58 58 THR N N 80 122.763 120.949 1.814 1
1 504 . 3 1 1 A 59 59 SER H H 81 9.549 8.876 0.673 1
1 505 . 3 1 1 A 59 59 SER HA H 81 6.045 6.060 -0.015 1
1 507 . 3 1 1 A 59 59 SER CA C 81 57.242 56.706 0.536 1
1 508 . 3 1 1 A 59 59 SER CB C 81 65.536 64.660 0.876 1
1 509 . 3 1 1 A 59 59 SER N N 81 126.425 121.403 5.022 1
1 510 . 3 1 1 A 60 60 THR H H 82 9.332 9.039 0.293 1
1 511 . 3 1 1 A 60 60 THR HA H 82 5.464 5.401 0.063 1
1 516 . 3 1 1 A 60 60 THR CA C 82 61.719 60.576 1.143 1
1 517 . 3 1 1 A 60 60 THR CB C 82 70.846 70.718 0.128 1
1 519 . 3 1 1 A 60 60 THR N N 82 121.445 115.341 6.104 1
1 520 . 3 1 1 A 61 61 PHE H H 83 8.794 8.088 0.706 1
1 521 . 3 1 1 A 61 61 PHE HA H 83 5.266 6.941 -1.675 1
1 525 . 3 1 1 A 61 61 PHE CA C 83 54.698 55.107 -0.409 1
1 526 . 3 1 1 A 61 61 PHE CB C 83 42.327 42.821 -0.494 1
1 528 . 3 1 1 A 61 61 PHE N N 83 121.707 120.036 1.671 1
1 529 . 3 1 1 A 62 62 LEU H H 84 8.915 8.697 0.218 1
1 530 . 3 1 1 A 62 62 LEU HA H 84 4.885 5.494 -0.609 1
1 540 . 3 1 1 A 62 62 LEU CA C 84 54.447 53.770 0.677 1
1 541 . 3 1 1 A 62 62 LEU CB C 84 43.627 44.906 -1.279 1
1 545 . 3 1 1 A 62 62 LEU N N 84 122.160 122.790 -0.630 1
1 546 . 3 1 1 A 63 63 ARG H H 85 9.213 9.335 -0.122 1
1 547 . 3 1 1 A 63 63 ARG HA H 85 4.645 5.058 -0.413 1
1 551 . 3 1 1 A 63 63 ARG CA C 85 56.244 55.002 1.242 1
1 552 . 3 1 1 A 63 63 ARG CB C 85 32.551 32.505 0.046 1
1 555 . 3 1 1 A 63 63 ARG N N 85 128.889 125.728 3.161 1
1 556 . 3 1 1 A 64 64 LYS H H 86 9.466 9.634 -0.168 1
1 557 . 3 1 1 A 64 64 LYS HA H 86 3.869 3.965 -0.096 1
1 563 . 3 1 1 A 64 64 LYS CA C 86 58.497 57.591 0.906 1
1 564 . 3 1 1 A 64 64 LYS CB C 86 30.202 30.958 -0.756 1
1 568 . 3 1 1 A 64 64 LYS N N 86 127.634 120.147 7.487 1
1 569 . 3 1 1 A 65 65 ASN H H 87 8.648 8.654 -0.006 1
1 570 . 3 1 1 A 65 65 ASN HA H 87 4.500 4.637 -0.137 1
1 575 . 3 1 1 A 65 65 ASN CA C 87 54.059 54.544 -0.485 1
1 576 . 3 1 1 A 65 65 ASN CB C 87 38.861 37.380 1.481 1
1 577 . 3 1 1 A 65 65 ASN N N 87 113.645 108.242 5.403 1
1 579 . 3 1 1 A 66 66 GLN H H 88 8.009 7.677 0.332 1
1 580 . 3 1 1 A 66 66 GLN HA H 88 4.720 4.873 -0.153 1
1 586 . 3 1 1 A 66 66 GLN CA C 88 53.951 54.785 -0.834 1
1 587 . 3 1 1 A 66 66 GLN CB C 88 32.360 31.753 0.607 1
1 589 . 3 1 1 A 66 66 GLN N N 88 118.506 115.861 2.645 1
1 591 . 3 1 1 A 67 67 CYS H H 89 8.712 8.888 -0.176 1
1 592 . 3 1 1 A 67 67 CYS HA H 89 5.398 5.653 -0.255 1
1 595 . 3 1 1 A 67 67 CYS CA C 89 52.821 54.098 -1.277 1
1 596 . 3 1 1 A 67 67 CYS CB C 89 36.780 44.907 -8.127 1
1 597 . 3 1 1 A 67 67 CYS N N 89 119.694 123.301 -3.607 1
1 598 . 3 1 1 A 68 68 GLU H H 90 9.083 8.331 0.752 1
1 599 . 3 1 1 A 68 68 GLU HA H 90 4.568 4.887 -0.319 1
1 603 . 3 1 1 A 68 68 GLU CA C 90 54.905 54.532 0.373 1
1 604 . 3 1 1 A 68 68 GLU CB C 90 33.372 34.157 -0.785 1
1 606 . 3 1 1 A 68 68 GLU N N 90 126.906 123.192 3.714 1
1 607 . 3 1 1 A 69 69 THR H H 91 8.233 8.621 -0.388 1
1 608 . 3 1 1 A 69 69 THR HA H 91 5.721 5.072 0.649 1
1 613 . 3 1 1 A 69 69 THR CA C 91 60.732 59.819 0.913 1
1 614 . 3 1 1 A 69 69 THR CB C 91 71.796 72.122 -0.326 1
1 616 . 3 1 1 A 69 69 THR N N 91 115.413 117.119 -1.706 1
1 617 . 3 1 1 A 70 70 LYS H H 92 9.232 8.274 0.958 1
1 618 . 3 1 1 A 70 70 LYS HA H 92 4.847 5.165 -0.318 1
1 624 . 3 1 1 A 70 70 LYS CA C 92 54.766 54.985 -0.219 1
1 625 . 3 1 1 A 70 70 LYS CB C 92 36.982 36.234 0.748 1
1 629 . 3 1 1 A 70 70 LYS N N 92 125.378 125.040 0.338 1
1 630 . 3 1 1 A 71 71 ILE H H 93 8.751 8.978 -0.227 1
1 631 . 3 1 1 A 71 71 ILE HA H 93 5.101 4.705 0.396 1
1 641 . 3 1 1 A 71 71 ILE CA C 93 60.391 60.267 0.124 1
1 642 . 3 1 1 A 71 71 ILE CB C 93 40.534 39.251 1.283 1
1 646 . 3 1 1 A 71 71 ILE N N 93 124.290 124.406 -0.116 1
1 647 . 3 1 1 A 72 72 MET H H 94 9.003 8.652 0.351 1
1 648 . 3 1 1 A 72 72 MET HA H 94 4.775 5.200 -0.425 1
1 651 . 3 1 1 A 72 72 MET CA C 94 54.673 54.445 0.228 1
1 652 . 3 1 1 A 72 72 MET CB C 94 36.889 35.466 1.423 1
1 654 . 3 1 1 A 72 72 MET N N 94 127.651 125.562 2.089 1
1 655 . 3 1 1 A 73 73 VAL H H 95 8.607 9.023 -0.416 1
1 656 . 3 1 1 A 73 73 VAL HA H 95 4.740 4.829 -0.089 1
1 661 . 3 1 1 A 73 73 VAL CA C 95 62.080 60.253 1.827 1
1 662 . 3 1 1 A 73 73 VAL CB C 95 33.333 34.260 -0.927 1
1 664 . 3 1 1 A 73 73 VAL N N 95 125.436 126.007 -0.571 1
1 665 . 3 1 1 A 74 74 LEU H H 96 9.278 8.942 0.336 1
1 666 . 3 1 1 A 74 74 LEU HA H 96 5.089 5.282 -0.193 1
1 668 . 3 1 1 A 74 74 LEU CA C 96 53.117 53.148 -0.031 1
1 669 . 3 1 1 A 74 74 LEU CB C 96 42.342 45.829 -3.487 1
1 670 . 3 1 1 A 74 74 LEU N N 96 127.760 130.768 -3.008 1
1 671 . 3 1 1 A 75 75 GLN H H 97 9.280 8.688 0.592 1
1 672 . 3 1 1 A 75 75 GLN HA H 97 5.018 4.781 0.237 1
1 675 . 3 1 1 A 75 75 GLN CA C 97 53.326 52.261 1.065 1
1 676 . 3 1 1 A 75 75 GLN CB C 97 29.255 29.877 -0.622 1
1 678 . 3 1 1 A 75 75 GLN N N 97 125.135 125.633 -0.498 1
1 679 . 3 1 1 A 76 76 PRO HA H 98 4.407 4.431 -0.024 1
1 682 . 3 1 1 A 76 76 PRO CA C 98 64.216 62.988 1.228 1
1 683 . 3 1 1 A 76 76 PRO CB C 98 32.365 32.359 0.006 1
1 684 . 3 1 1 A 77 77 ALA H H 99 8.021 7.893 0.128 1
1 685 . 3 1 1 A 77 77 ALA HA H 99 4.691 4.528 0.163 1
1 689 . 3 1 1 A 77 77 ALA CA C 99 50.927 51.220 -0.293 1
1 690 . 3 1 1 A 77 77 ALA CB C 99 20.003 19.241 0.762 1
1 691 . 3 1 1 A 77 77 ALA N N 99 126.607 125.491 1.116 1
1 692 . 3 1 1 A 78 78 GLY H H 100 8.185 8.077 0.108 1
1 693 . 3 1 1 A 78 78 GLY HA2 H 100 3.560 3.838 -0.278 1
1 694 . 3 1 1 A 78 78 GLY HA3 H 100 4.211 3.842 0.369 1
1 695 . 3 1 1 A 78 78 GLY CA C 100 45.692 47.122 -1.430 1
1 696 . 3 1 1 A 78 78 GLY N N 100 109.388 107.223 2.165 1
1 697 . 3 1 1 A 79 79 ALA H H 101 8.074 7.473 0.601 1
1 698 . 3 1 1 A 79 79 ALA HA H 101 4.624 4.474 0.150 1
1 702 . 3 1 1 A 79 79 ALA CA C 101 50.576 50.588 -0.012 1
1 703 . 3 1 1 A 79 79 ALA CB C 101 18.277 18.808 -0.531 1
1 704 . 3 1 1 A 79 79 ALA N N 101 126.934 127.616 -0.682 1
1 705 . 3 1 1 A 80 80 PRO HA H 102 4.425 4.141 0.284 1
1 707 . 3 1 1 A 80 80 PRO CA C 102 63.915 63.752 0.163 1
1 708 . 3 1 1 A 80 80 PRO CB C 102 32.093 31.935 0.158 1
1 711 . 3 1 1 A 81 81 GLY H H 103 8.227 8.767 -0.540 1
1 712 . 3 1 1 A 81 81 GLY HA2 H 103 2.428 3.872 -1.444 1
1 713 . 3 1 1 A 81 81 GLY HA3 H 103 3.673 3.892 -0.219 1
1 714 . 3 1 1 A 81 81 GLY CA C 103 44.671 45.197 -0.526 1
1 715 . 3 1 1 A 81 81 GLY N N 103 111.362 111.365 -0.003 1
1 716 . 3 1 1 A 82 82 HIS H H 104 7.610 7.403 0.207 1
1 717 . 3 1 1 A 82 82 HIS HA H 104 5.169 4.909 0.260 1
1 721 . 3 1 1 A 82 82 HIS CA C 104 54.457 54.987 -0.530 1
1 722 . 3 1 1 A 82 82 HIS CB C 104 29.867 32.214 -2.347 1
1 724 . 3 1 1 A 82 82 HIS N N 104 117.393 118.865 -1.472 1
1 725 . 3 1 1 A 83 83 TYR H H 105 9.164 8.660 0.504 1
1 726 . 3 1 1 A 83 83 TYR HA H 105 5.465 4.824 0.641 1
1 730 . 3 1 1 A 83 83 TYR CA C 105 56.894 56.597 0.297 1
1 731 . 3 1 1 A 83 83 TYR CB C 105 44.686 42.455 2.231 1
1 733 . 3 1 1 A 83 83 TYR N N 105 122.473 119.809 2.664 1
1 734 . 3 1 1 A 84 84 THR H H 106 9.475 8.846 0.629 1
1 735 . 3 1 1 A 84 84 THR HA H 106 5.439 5.261 0.178 1
1 740 . 3 1 1 A 84 84 THR CA C 106 60.469 59.461 1.008 1
1 741 . 3 1 1 A 84 84 THR CB C 106 72.344 71.479 0.865 1
1 743 . 3 1 1 A 84 84 THR N N 106 112.202 113.423 -1.221 1
1 744 . 3 1 1 A 85 85 TYR H H 107 8.723 8.599 0.124 1
1 745 . 3 1 1 A 85 85 TYR HA H 107 5.239 5.245 -0.006 1
1 749 . 3 1 1 A 85 85 TYR CA C 107 56.392 55.849 0.543 1
1 750 . 3 1 1 A 85 85 TYR CB C 107 41.653 43.172 -1.519 1
1 751 . 3 1 1 A 85 85 TYR N N 107 118.519 120.136 -1.617 1
1 752 . 3 1 1 A 86 86 SER H H 108 8.509 8.890 -0.381 1
1 753 . 3 1 1 A 86 86 SER HA H 108 4.564 5.079 -0.515 1
1 755 . 3 1 1 A 86 86 SER CA C 108 56.420 56.703 -0.283 1
1 756 . 3 1 1 A 86 86 SER CB C 108 63.939 65.644 -1.705 1
1 757 . 3 1 1 A 86 86 SER N N 108 120.384 117.021 3.363 1
1 758 . 3 1 1 A 87 87 SER H H 109 8.155 8.820 -0.665 1
1 759 . 3 1 1 A 87 87 SER HA H 109 4.519 4.498 0.021 1
1 762 . 3 1 1 A 87 87 SER CA C 109 56.046 56.333 -0.287 1
1 763 . 3 1 1 A 87 87 SER CB C 109 63.145 64.092 -0.947 1
1 764 . 3 1 1 A 87 87 SER N N 109 120.949 122.464 -1.515 1
1 765 . 3 1 1 A 88 88 PRO HA H 110 4.287 4.464 -0.177 1
1 767 . 3 1 1 A 88 88 PRO CA C 110 64.081 64.237 -0.156 1
1 768 . 3 1 1 A 88 88 PRO CB C 110 32.049 31.864 0.185 1
1 771 . 3 1 1 A 89 89 HIS H H 111 8.535 7.915 0.620 1
1 772 . 3 1 1 A 89 89 HIS HA H 111 4.421 4.435 -0.014 1
1 774 . 3 1 1 A 89 89 HIS CA C 111 56.683 58.565 -1.882 1
1 775 . 3 1 1 A 89 89 HIS CB C 111 27.859 30.276 -2.417 1
1 776 . 3 1 1 A 89 89 HIS N N 111 115.372 115.222 0.150 1
1 777 . 3 1 1 A 90 90 SER H H 112 8.012 7.899 0.113 1
1 778 . 3 1 1 A 90 90 SER HA H 112 4.422 4.381 0.041 1
1 781 . 3 1 1 A 90 90 SER CA C 112 58.586 59.116 -0.530 1
1 782 . 3 1 1 A 90 90 SER CB C 112 64.405 63.737 0.668 1
1 783 . 3 1 1 A 90 90 SER N N 112 112.865 113.355 -0.490 1
1 784 . 3 1 1 A 91 91 GLY H H 113 8.239 7.905 0.334 1
1 785 . 3 1 1 A 91 91 GLY HA2 H 113 3.911 3.889 0.022 1
1 786 . 3 1 1 A 91 91 GLY HA3 H 113 3.966 3.892 0.074 1
1 787 . 3 1 1 A 91 91 GLY CA C 113 45.627 45.278 0.349 1
1 788 . 3 1 1 A 91 91 GLY N N 113 110.848 110.275 0.573 1
1 789 . 3 1 1 A 92 92 SER H H 114 7.757 8.103 -0.346 1
1 790 . 3 1 1 A 92 92 SER HA H 114 4.518 4.453 0.065 1
1 792 . 3 1 1 A 92 92 SER CA C 114 58.132 58.302 -0.170 1
1 793 . 3 1 1 A 92 92 SER CB C 114 64.340 64.162 0.178 1
1 794 . 3 1 1 A 92 92 SER N N 114 114.404 116.255 -1.851 1
1 795 . 3 1 1 A 93 93 ILE H H 115 8.456 8.366 0.090 1
1 796 . 3 1 1 A 93 93 ILE HA H 115 4.412 4.885 -0.473 1
1 806 . 3 1 1 A 93 93 ILE CA C 115 60.573 60.161 0.412 1
1 807 . 3 1 1 A 93 93 ILE CB C 115 39.061 39.381 -0.320 1
1 811 . 3 1 1 A 93 93 ILE N N 115 124.873 124.103 0.770 1
1 812 . 3 1 1 A 94 94 HIS H H 116 8.994 9.021 -0.027 1
1 813 . 3 1 1 A 94 94 HIS HA H 116 5.309 5.344 -0.035 1
1 814 . 3 1 1 A 94 94 HIS CA C 116 53.919 54.345 -0.426 1
1 815 . 3 1 1 A 94 94 HIS CB C 116 27.883 32.535 -4.652 1
1 816 . 3 1 1 A 94 94 HIS N N 116 125.591 126.465 -0.874 1
1 817 . 3 1 1 A 95 95 SER H H 117 9.153 8.952 0.201 1
1 818 . 3 1 1 A 95 95 SER HA H 117 5.101 4.936 0.165 1
1 820 . 3 1 1 A 95 95 SER CA C 117 57.114 58.168 -1.054 1
1 821 . 3 1 1 A 95 95 SER CB C 117 64.430 64.099 0.331 1
1 822 . 3 1 1 A 95 95 SER N N 117 117.598 120.627 -3.029 1
1 823 . 3 1 1 A 96 96 VAL H H 118 9.055 8.934 0.121 1
1 824 . 3 1 1 A 96 96 VAL HA H 118 5.009 5.162 -0.153 1
1 828 . 3 1 1 A 96 96 VAL CA C 118 61.453 59.735 1.718 1
1 829 . 3 1 1 A 96 96 VAL CB C 118 35.098 34.556 0.542 1
1 831 . 3 1 1 A 96 96 VAL N N 118 126.585 127.614 -1.029 1
1 832 . 3 1 1 A 97 97 SER H H 119 9.032 9.419 -0.387 1
1 833 . 3 1 1 A 97 97 SER HA H 119 5.543 5.134 0.409 1
1 835 . 3 1 1 A 97 97 SER CA C 119 56.290 56.541 -0.251 1
1 836 . 3 1 1 A 97 97 SER CB C 119 65.799 65.104 0.695 1
1 837 . 3 1 1 A 97 97 SER N N 119 121.395 124.349 -2.954 1
1 838 . 3 1 1 A 98 98 VAL H H 120 8.402 8.375 0.027 1
1 839 . 3 1 1 A 98 98 VAL HA H 120 4.027 4.324 -0.297 1
1 847 . 3 1 1 A 98 98 VAL CA C 120 62.212 61.324 0.888 1
1 848 . 3 1 1 A 98 98 VAL CB C 120 29.250 32.972 -3.722 1
1 851 . 3 1 1 A 98 98 VAL N N 120 124.771 127.364 -2.593 1
1 852 . 3 1 1 A 99 99 VAL H H 121 8.361 9.095 -0.734 1
1 853 . 3 1 1 A 99 99 VAL HA H 121 3.723 4.346 -0.623 1
1 858 . 3 1 1 A 99 99 VAL CA C 121 65.202 63.811 1.391 1
1 859 . 3 1 1 A 99 99 VAL CB C 121 32.718 33.237 -0.519 1
1 861 . 3 1 1 A 99 99 VAL N N 121 128.844 128.537 0.307 1
1 862 . 3 1 1 A 100 100 GLU H H 122 7.188 7.693 -0.505 1
1 863 . 3 1 1 A 100 100 GLU HA H 122 4.726 4.803 -0.077 1
1 866 . 3 1 1 A 100 100 GLU CA C 122 54.951 54.927 0.024 1
1 867 . 3 1 1 A 100 100 GLU CB C 122 34.111 34.258 -0.147 1
1 868 . 3 1 1 A 100 100 GLU N N 122 113.832 119.057 -5.225 1
1 869 . 3 1 1 A 101 101 ALA H H 123 8.708 8.879 -0.171 1
1 870 . 3 1 1 A 101 101 ALA HA H 123 4.365 5.043 -0.678 1
1 874 . 3 1 1 A 101 101 ALA CA C 123 52.217 50.058 2.159 1
1 875 . 3 1 1 A 101 101 ALA CB C 123 21.568 22.014 -0.446 1
1 876 . 3 1 1 A 101 101 ALA N N 123 124.349 123.683 0.666 1
1 877 . 3 1 1 A 105 105 GLU HA H 127 3.719 4.615 -0.896 1
1 878 . 3 1 1 A 105 105 GLU CA C 127 59.422 57.306 2.116 1
1 879 . 3 1 1 A 105 105 GLU CB C 127 35.689 32.290 3.399 1
1 880 . 3 1 1 A 106 106 TYR H H 128 9.359 7.885 1.474 1
1 881 . 3 1 1 A 106 106 TYR HA H 128 6.292 5.222 1.070 1
1 885 . 3 1 1 A 106 106 TYR CA C 128 58.184 56.628 1.556 1
1 886 . 3 1 1 A 106 106 TYR CB C 128 42.417 40.300 2.117 1
1 889 . 3 1 1 A 106 106 TYR N N 128 118.441 115.285 3.156 1
1 890 . 3 1 1 A 107 107 ALA H H 129 9.057 8.927 0.130 1
1 891 . 3 1 1 A 107 107 ALA HA H 129 4.724 5.458 -0.734 1
1 895 . 3 1 1 A 107 107 ALA CA C 129 51.666 50.344 1.322 1
1 896 . 3 1 1 A 107 107 ALA CB C 129 22.720 22.001 0.719 1
1 897 . 3 1 1 A 107 107 ALA N N 129 120.309 123.015 -2.706 1
1 898 . 3 1 1 A 108 108 LEU H H 130 8.889 9.340 -0.451 1
1 899 . 3 1 1 A 108 108 LEU HA H 130 5.191 5.198 -0.007 1
1 908 . 3 1 1 A 108 108 LEU CA C 130 53.730 53.678 0.052 1
1 909 . 3 1 1 A 108 108 LEU CB C 130 43.792 44.417 -0.625 1
1 912 . 3 1 1 A 108 108 LEU N N 130 122.798 124.801 -2.003 1
1 913 . 3 1 1 A 109 109 LEU H H 131 9.168 9.654 -0.486 1
1 914 . 3 1 1 A 109 109 LEU HA H 131 5.410 5.428 -0.018 1
1 924 . 3 1 1 A 109 109 LEU CA C 131 54.387 52.964 1.423 1
1 925 . 3 1 1 A 109 109 LEU CB C 131 45.159 46.972 -1.813 1
1 929 . 3 1 1 A 109 109 LEU N N 131 126.359 128.249 -1.890 1
1 930 . 3 1 1 A 110 110 PHE H H 132 9.150 8.934 0.216 1
1 931 . 3 1 1 A 110 110 PHE HA H 132 5.687 5.242 0.445 1
1 935 . 3 1 1 A 110 110 PHE CA C 132 56.501 56.670 -0.169 1
1 936 . 3 1 1 A 110 110 PHE CB C 132 43.567 42.708 0.859 1
1 937 . 3 1 1 A 110 110 PHE N N 132 120.892 125.069 -4.177 1
1 938 . 3 1 1 A 111 111 SER H H 133 8.978 9.711 -0.733 1
1 939 . 3 1 1 A 111 111 SER HA H 133 5.702 5.249 0.453 1
1 941 . 3 1 1 A 111 111 SER CA C 133 55.789 56.847 -1.058 1
1 942 . 3 1 1 A 111 111 SER CB C 133 65.521 64.485 1.036 1
1 943 . 3 1 1 A 111 111 SER N N 133 125.184 119.005 6.179 1
1 944 . 3 1 1 A 112 112 ARG H H 134 8.581 8.899 -0.318 1
1 945 . 3 1 1 A 112 112 ARG HA H 134 5.151 5.422 -0.271 1
1 950 . 3 1 1 A 112 112 ARG CA C 134 53.502 54.300 -0.798 1
1 951 . 3 1 1 A 112 112 ARG CB C 134 34.324 33.814 0.510 1
1 954 . 3 1 1 A 112 112 ARG N N 134 120.408 127.682 -7.274 1
1 955 . 3 1 1 A 113 113 GLY H H 135 8.195 9.350 -1.155 1
1 956 . 3 1 1 A 113 113 GLY HA2 H 135 4.108 4.524 -0.416 1
1 957 . 3 1 1 A 113 113 GLY HA3 H 135 4.342 4.549 -0.207 1
1 958 . 3 1 1 A 113 113 GLY CA C 135 45.735 44.142 1.593 1
1 959 . 3 1 1 A 113 113 GLY N N 135 108.687 111.684 -2.997 1
1 960 . 3 1 1 A 114 114 THR H H 136 8.437 8.819 -0.382 1
1 961 . 3 1 1 A 114 114 THR HA H 136 4.686 4.347 0.339 1
1 966 . 3 1 1 A 114 114 THR CA C 136 61.317 63.258 -1.941 1
1 967 . 3 1 1 A 114 114 THR CB C 136 70.640 69.492 1.148 1
1 969 . 3 1 1 A 114 114 THR N N 136 112.383 111.743 0.640 1
1 970 . 3 1 1 A 115 115 LYS H H 137 8.042 8.068 -0.026 1
1 971 . 3 1 1 A 115 115 LYS HA H 137 4.457 3.845 0.612 1
1 976 . 3 1 1 A 115 115 LYS CA C 137 56.861 56.927 -0.066 1
1 977 . 3 1 1 A 115 115 LYS CB C 137 34.523 31.389 3.134 1
1 981 . 3 1 1 A 115 115 LYS N N 137 121.031 119.943 1.088 1
1 982 . 3 1 1 A 116 116 GLY H H 138 8.574 8.660 -0.086 1
1 983 . 3 1 1 A 116 116 GLY HA2 H 138 3.894 3.808 0.086 1
1 984 . 3 1 1 A 116 116 GLY HA3 H 138 4.566 3.814 0.752 1
1 985 . 3 1 1 A 116 116 GLY CA C 138 44.217 46.389 -2.172 1
1 986 . 3 1 1 A 116 116 GLY N N 138 112.843 115.536 -2.693 1
1 987 . 3 1 1 A 117 117 PRO HA H 139 4.452 4.628 -0.176 1
1 992 . 3 1 1 A 117 117 PRO CA C 139 63.920 62.796 1.124 1
1 993 . 3 1 1 A 117 117 PRO CB C 139 31.786 29.990 1.796 1
1 996 . 3 1 1 A 118 118 GLY H H 140 8.835 8.021 0.814 1
1 997 . 3 1 1 A 118 118 GLY HA2 H 140 4.030 3.946 0.084 1
1 998 . 3 1 1 A 118 118 GLY HA3 H 140 4.187 3.954 0.233 1
1 999 . 3 1 1 A 118 118 GLY CA C 140 45.949 46.532 -0.583 1
1 1000 . 3 1 1 A 118 118 GLY N N 140 110.324 108.700 1.624 1
1 1001 . 3 1 1 A 119 119 GLN H H 141 8.062 8.396 -0.334 1
1 1002 . 3 1 1 A 119 119 GLN HA H 141 4.067 4.450 -0.383 1
1 1005 . 3 1 1 A 119 119 GLN CA C 141 57.874 55.711 2.163 1
1 1006 . 3 1 1 A 119 119 GLN CB C 141 28.638 29.059 -0.421 1
1 1008 . 3 1 1 A 119 119 GLN N N 141 119.674 119.640 0.034 1
1 1009 . 3 1 1 A 120 120 ASP H H 142 8.554 7.700 0.854 1
1 1010 . 3 1 1 A 120 120 ASP HA H 142 4.606 4.393 0.213 1
1 1012 . 3 1 1 A 120 120 ASP CA C 142 54.348 54.876 -0.528 1
1 1013 . 3 1 1 A 120 120 ASP CB C 142 40.529 39.165 1.364 1
1 1014 . 3 1 1 A 120 120 ASP N N 142 117.596 118.570 -0.974 1
1 1015 . 3 1 1 A 121 121 PHE H H 143 7.890 8.822 -0.932 1
1 1016 . 3 1 1 A 121 121 PHE HA H 143 4.477 4.669 -0.192 1
1 1021 . 3 1 1 A 121 121 PHE CA C 143 59.232 59.049 0.183 1
1 1022 . 3 1 1 A 121 121 PHE CB C 143 39.898 39.843 0.055 1
1 1025 . 3 1 1 A 121 121 PHE N N 143 122.226 122.966 -0.740 1
1 1026 . 3 1 1 A 122 122 ARG H H 144 7.956 8.813 -0.857 1
1 1027 . 3 1 1 A 122 122 ARG HA H 144 4.664 5.096 -0.432 1
1 1032 . 3 1 1 A 122 122 ARG CA C 144 54.337 54.355 -0.018 1
1 1033 . 3 1 1 A 122 122 ARG CB C 144 34.705 32.843 1.862 1
1 1036 . 3 1 1 A 122 122 ARG N N 144 126.876 124.030 2.846 1
1 1037 . 3 1 1 A 123 123 MET H H 145 8.444 8.954 -0.510 1
1 1038 . 3 1 1 A 123 123 MET HA H 145 5.157 4.820 0.337 1
1 1042 . 3 1 1 A 123 123 MET CA C 145 54.904 54.189 0.715 1
1 1043 . 3 1 1 A 123 123 MET CB C 145 37.618 36.112 1.506 1
1 1045 . 3 1 1 A 123 123 MET N N 145 121.767 121.341 0.426 1
1 1046 . 3 1 1 A 124 124 ALA H H 146 9.809 8.380 1.429 1
1 1047 . 3 1 1 A 124 124 ALA HA H 146 5.801 4.393 1.408 1
1 1051 . 3 1 1 A 124 124 ALA CA C 146 50.289 49.752 0.537 1
1 1052 . 3 1 1 A 124 124 ALA CB C 146 22.630 21.572 1.058 1
1 1053 . 3 1 1 A 124 124 ALA N N 146 132.634 125.803 6.831 1
1 1054 . 3 1 1 A 125 125 THR H H 147 9.169 9.273 -0.104 1
1 1055 . 3 1 1 A 125 125 THR HA H 147 4.974 5.262 -0.288 1
1 1060 . 3 1 1 A 125 125 THR CA C 147 62.270 61.479 0.791 1
1 1061 . 3 1 1 A 125 125 THR CB C 147 71.431 71.465 -0.034 1
1 1063 . 3 1 1 A 125 125 THR N N 147 118.001 115.969 2.032 1
1 1064 . 3 1 1 A 126 126 LEU H H 148 8.287 8.534 -0.247 1
1 1065 . 3 1 1 A 126 126 LEU HA H 148 4.994 4.894 0.100 1
1 1072 . 3 1 1 A 126 126 LEU CA C 148 52.917 53.421 -0.504 1
1 1073 . 3 1 1 A 126 126 LEU CB C 148 42.487 43.359 -0.872 1
1 1076 . 3 1 1 A 126 126 LEU N N 148 128.462 128.362 0.100 1
1 1077 . 3 1 1 A 127 127 TYR H H 149 9.352 8.643 0.709 1
1 1078 . 3 1 1 A 127 127 TYR HA H 149 5.745 4.839 0.906 1
1 1082 . 3 1 1 A 127 127 TYR CA C 149 55.277 59.166 -3.889 1
1 1083 . 3 1 1 A 127 127 TYR CB C 149 40.105 39.605 0.500 1
1 1085 . 3 1 1 A 127 127 TYR N N 149 127.854 127.473 0.381 1
1 1086 . 3 1 1 A 128 128 SER H H 150 9.808 8.737 1.071 1
1 1087 . 3 1 1 A 128 128 SER HA H 150 6.032 5.205 0.827 1
1 1090 . 3 1 1 A 128 128 SER CA C 150 55.349 55.829 -0.480 1
1 1091 . 3 1 1 A 128 128 SER CB C 150 66.028 66.337 -0.309 1
1 1092 . 3 1 1 A 128 128 SER N N 150 113.673 116.484 -2.811 1
1 1093 . 3 1 1 A 129 129 ARG H H 151 8.667 8.753 -0.086 1
1 1094 . 3 1 1 A 129 129 ARG HA H 151 4.184 4.291 -0.107 1
1 1096 . 3 1 1 A 129 129 ARG CA C 151 56.959 57.866 -0.907 1
1 1097 . 3 1 1 A 129 129 ARG CB C 151 31.553 30.875 0.678 1
1 1098 . 3 1 1 A 129 129 ARG N N 151 126.102 119.364 6.738 1
1 1099 . 3 1 1 A 130 130 THR H H 152 8.244 7.759 0.485 1
1 1100 . 3 1 1 A 130 130 THR HA H 152 4.879 4.486 0.393 1
1 1105 . 3 1 1 A 130 130 THR CA C 152 59.501 59.949 -0.448 1
1 1106 . 3 1 1 A 130 130 THR CB C 152 71.244 71.941 -0.697 1
1 1108 . 3 1 1 A 130 130 THR N N 152 108.224 110.383 -2.159 1
1 1109 . 3 1 1 A 131 131 GLN H H 153 8.765 8.467 0.298 1
1 1110 . 3 1 1 A 131 131 GLN HA H 153 3.664 3.493 0.171 1
1 1117 . 3 1 1 A 131 131 GLN CA C 153 57.614 58.192 -0.578 1
1 1118 . 3 1 1 A 131 131 GLN CB C 153 28.738 28.966 -0.228 1
1 1120 . 3 1 1 A 131 131 GLN N N 153 119.385 120.476 -1.091 1
1 1122 . 3 1 1 A 132 132 THR H H 154 7.242 7.692 -0.450 1
1 1123 . 3 1 1 A 132 132 THR HA H 154 4.309 4.668 -0.359 1
1 1128 . 3 1 1 A 132 132 THR CA C 154 60.406 59.369 1.037 1
1 1129 . 3 1 1 A 132 132 THR CB C 154 70.006 70.728 -0.722 1
1 1131 . 3 1 1 A 132 132 THR N N 154 108.689 111.975 -3.286 1
1 1132 . 3 1 1 A 133 133 LEU H H 155 8.608 8.723 -0.115 1
1 1133 . 3 1 1 A 133 133 LEU HA H 155 4.631 5.177 -0.546 1
1 1143 . 3 1 1 A 133 133 LEU CA C 155 53.415 52.863 0.552 1
1 1144 . 3 1 1 A 133 133 LEU CB C 155 44.570 45.497 -0.927 1
1 1148 . 3 1 1 A 133 133 LEU N N 155 124.560 120.555 4.005 1
1 1149 . 3 1 1 A 134 134 LYS H H 156 8.157 8.902 -0.745 1
1 1150 . 3 1 1 A 134 134 LYS HA H 156 4.374 4.475 -0.101 1
1 1156 . 3 1 1 A 134 134 LYS CA C 156 56.031 54.993 1.038 1
1 1157 . 3 1 1 A 134 134 LYS CB C 156 33.505 33.916 -0.411 1
1 1161 . 3 1 1 A 134 134 LYS N N 156 123.852 121.496 2.356 1
1 1162 . 3 1 1 A 135 135 ASP H H 157 8.974 9.139 -0.165 1
1 1163 . 3 1 1 A 135 135 ASP HA H 157 4.143 4.120 0.023 1
1 1165 . 3 1 1 A 135 135 ASP CA C 157 58.252 57.166 1.086 1
1 1166 . 3 1 1 A 135 135 ASP CB C 157 39.857 40.159 -0.302 1
1 1167 . 3 1 1 A 135 135 ASP N N 157 124.197 124.901 -0.704 1
1 1168 . 3 1 1 A 136 136 GLU H H 158 9.287 7.869 1.418 1
1 1169 . 3 1 1 A 136 136 GLU HA H 158 4.141 4.311 -0.170 1
1 1173 . 3 1 1 A 136 136 GLU CA C 158 59.348 58.906 0.442 1
1 1174 . 3 1 1 A 136 136 GLU CB C 158 28.638 29.549 -0.911 1
1 1176 . 3 1 1 A 136 136 GLU N N 158 117.885 118.792 -0.907 1
1 1177 . 3 1 1 A 137 137 LEU H H 159 7.246 8.201 -0.955 1
1 1178 . 3 1 1 A 137 137 LEU HA H 159 4.053 4.044 0.009 1
1 1187 . 3 1 1 A 137 137 LEU CA C 159 56.663 57.396 -0.733 1
1 1188 . 3 1 1 A 137 137 LEU CB C 159 41.666 41.147 0.519 1
1 1192 . 3 1 1 A 137 137 LEU N N 159 119.393 120.193 -0.800 1
1 1193 . 3 1 1 A 138 138 LYS H H 160 7.383 10.007 -2.624 1
1 1194 . 3 1 1 A 138 138 LYS HA H 160 3.997 4.002 -0.005 1
1 1200 . 3 1 1 A 138 138 LYS CA C 160 60.416 59.013 1.403 1
1 1201 . 3 1 1 A 138 138 LYS CB C 160 31.478 31.732 -0.254 1
1 1205 . 3 1 1 A 138 138 LYS N N 160 119.612 121.919 -2.307 1
1 1206 . 3 1 1 A 139 139 GLU H H 161 7.978 8.358 -0.380 1
1 1207 . 3 1 1 A 139 139 GLU HA H 161 4.176 4.143 0.033 1
1 1211 . 3 1 1 A 139 139 GLU CA C 161 59.139 59.304 -0.165 1
1 1212 . 3 1 1 A 139 139 GLU CB C 161 28.417 29.501 -1.084 1
1 1214 . 3 1 1 A 139 139 GLU N N 161 119.510 119.066 0.444 1
1 1215 . 3 1 1 A 140 140 LYS H H 162 7.860 7.663 0.197 1
1 1216 . 3 1 1 A 140 140 LYS HA H 162 4.089 4.097 -0.008 1
1 1225 . 3 1 1 A 140 140 LYS CA C 162 59.541 58.745 0.796 1
1 1226 . 3 1 1 A 140 140 LYS CB C 162 32.078 32.359 -0.281 1
1 1230 . 3 1 1 A 140 140 LYS N N 162 120.614 119.698 0.916 1
1 1231 . 3 1 1 A 141 141 PHE H H 163 8.548 8.105 0.443 1
1 1232 . 3 1 1 A 141 141 PHE HA H 163 4.444 4.296 0.148 1
1 1235 . 3 1 1 A 141 141 PHE CA C 163 61.551 60.967 0.584 1
1 1236 . 3 1 1 A 141 141 PHE CB C 163 39.975 39.120 0.855 1
1 1237 . 3 1 1 A 141 141 PHE N N 163 119.075 122.082 -3.007 1
1 1238 . 3 1 1 A 142 142 THR H H 164 8.791 8.162 0.629 1
1 1239 . 3 1 1 A 142 142 THR HA H 164 3.721 4.053 -0.332 1
1 1244 . 3 1 1 A 142 142 THR CA C 164 67.495 65.758 1.737 1
1 1245 . 3 1 1 A 142 142 THR CB C 164 68.330 68.776 -0.446 1
1 1247 . 3 1 1 A 142 142 THR N N 164 120.224 114.020 6.204 1
1 1248 . 3 1 1 A 143 143 THR H H 165 8.536 8.274 0.262 1
1 1249 . 3 1 1 A 143 143 THR HA H 165 3.764 3.914 -0.150 1
1 1254 . 3 1 1 A 143 143 THR CA C 165 66.989 66.870 0.119 1
1 1255 . 3 1 1 A 143 143 THR CB C 165 68.641 68.551 0.090 1
1 1257 . 3 1 1 A 143 143 THR N N 165 118.456 117.007 1.449 1
1 1258 . 3 1 1 A 144 144 PHE H H 166 8.264 8.087 0.177 1
1 1259 . 3 1 1 A 144 144 PHE HA H 166 4.207 4.133 0.074 1
1 1264 . 3 1 1 A 144 144 PHE CA C 166 61.233 61.935 -0.702 1
1 1265 . 3 1 1 A 144 144 PHE CB C 166 39.772 39.071 0.701 1
1 1266 . 3 1 1 A 144 144 PHE N N 166 122.676 122.192 0.484 1
1 1267 . 3 1 1 A 145 145 SER H H 167 8.077 7.992 0.085 1
1 1268 . 3 1 1 A 145 145 SER HA H 167 3.283 4.004 -0.721 1
1 1270 . 3 1 1 A 145 145 SER CA C 167 64.031 62.205 1.826 1
1 1271 . 3 1 1 A 145 145 SER CB C 167 62.339 62.557 -0.218 1
1 1272 . 3 1 1 A 145 145 SER N N 167 115.714 116.141 -0.427 1
1 1273 . 3 1 1 A 146 146 LYS H H 168 8.000 8.103 -0.103 1
1 1274 . 3 1 1 A 146 146 LYS HA H 168 4.434 4.084 0.350 1
1 1278 . 3 1 1 A 146 146 LYS CA C 168 58.915 58.807 0.108 1
1 1279 . 3 1 1 A 146 146 LYS CB C 168 32.022 32.086 -0.064 1
1 1283 . 3 1 1 A 146 146 LYS N N 168 121.529 121.058 0.471 1
1 1284 . 3 1 1 A 147 147 ALA H H 169 7.726 7.672 0.054 1
1 1285 . 3 1 1 A 147 147 ALA HA H 169 4.079 4.037 0.042 1
1 1289 . 3 1 1 A 147 147 ALA CA C 169 54.255 54.626 -0.371 1
1 1290 . 3 1 1 A 147 147 ALA CB C 169 17.264 18.085 -0.821 1
1 1291 . 3 1 1 A 147 147 ALA N N 169 123.249 121.769 1.480 1
1 1292 . 3 1 1 A 148 148 GLN H H 170 7.058 7.295 -0.237 1
1 1293 . 3 1 1 A 148 148 GLN HA H 170 4.139 4.225 -0.086 1
1 1299 . 3 1 1 A 148 148 GLN CA C 170 53.091 56.054 -2.963 1
1 1300 . 3 1 1 A 148 148 GLN CB C 170 26.931 29.047 -2.116 1
1 1302 . 3 1 1 A 148 148 GLN N N 170 113.952 115.643 -1.691 1
1 1304 . 3 1 1 A 149 149 GLY H H 171 7.651 8.224 -0.573 1
1 1305 . 3 1 1 A 149 149 GLY HA2 H 171 3.650 3.953 -0.303 1
1 1306 . 3 1 1 A 149 149 GLY HA3 H 171 4.076 3.954 0.122 1
1 1307 . 3 1 1 A 149 149 GLY CA C 171 45.335 46.115 -0.780 1
1 1308 . 3 1 1 A 149 149 GLY N N 171 106.210 107.364 -1.154 1
1 1309 . 3 1 1 A 150 150 LEU H H 172 7.395 7.356 0.039 1
1 1310 . 3 1 1 A 150 150 LEU HA H 172 4.543 4.799 -0.256 1
1 1319 . 3 1 1 A 150 150 LEU CA C 172 53.499 53.495 0.004 1
1 1320 . 3 1 1 A 150 150 LEU CB C 172 40.838 46.292 -5.454 1
1 1324 . 3 1 1 A 150 150 LEU N N 172 120.964 120.412 0.552 1
1 1325 . 3 1 1 A 151 151 THR H H 173 8.270 8.730 -0.460 1
1 1326 . 3 1 1 A 151 151 THR HA H 173 4.515 4.681 -0.166 1
1 1331 . 3 1 1 A 151 151 THR CA C 173 60.236 61.198 -0.962 1
1 1332 . 3 1 1 A 151 151 THR CB C 173 71.307 70.389 0.918 1
1 1334 . 3 1 1 A 151 151 THR N N 173 110.762 117.250 -6.488 1
1 1335 . 3 1 1 A 152 152 GLU H H 174 9.041 9.036 0.005 1
1 1336 . 3 1 1 A 152 152 GLU HA H 174 3.908 4.045 -0.137 1
1 1340 . 3 1 1 A 152 152 GLU CA C 174 60.190 58.949 1.241 1
1 1341 . 3 1 1 A 152 152 GLU CB C 174 28.823 29.113 -0.290 1
1 1343 . 3 1 1 A 152 152 GLU N N 174 118.629 122.885 -4.256 1
1 1344 . 3 1 1 A 153 153 GLU H H 175 8.200 8.032 0.168 1
1 1345 . 3 1 1 A 153 153 GLU HA H 175 4.222 4.074 0.148 1
1 1349 . 3 1 1 A 153 153 GLU CA C 175 58.093 58.766 -0.673 1
1 1350 . 3 1 1 A 153 153 GLU CB C 175 28.697 29.554 -0.857 1
1 1352 . 3 1 1 A 153 153 GLU N N 175 115.885 120.080 -4.195 1
1 1353 . 3 1 1 A 154 154 ASP H H 176 7.833 7.653 0.180 1
1 1354 . 3 1 1 A 154 154 ASP HA H 176 4.873 4.760 0.113 1
1 1357 . 3 1 1 A 154 154 ASP CA C 176 53.936 54.901 -0.965 1
1 1358 . 3 1 1 A 154 154 ASP CB C 176 41.470 41.910 -0.440 1
1 1359 . 3 1 1 A 154 154 ASP N N 176 118.196 116.907 1.289 1
1 1360 . 3 1 1 A 155 155 ILE H H 177 7.007 7.421 -0.414 1
1 1361 . 3 1 1 A 155 155 ILE HA H 177 4.367 4.354 0.013 1
1 1369 . 3 1 1 A 155 155 ILE CA C 177 61.493 59.999 1.494 1
1 1370 . 3 1 1 A 155 155 ILE CB C 177 40.374 40.201 0.173 1
1 1374 . 3 1 1 A 155 155 ILE N N 177 117.852 118.738 -0.886 1
1 1375 . 3 1 1 A 156 156 VAL H H 178 9.203 9.114 0.089 1
1 1376 . 3 1 1 A 156 156 VAL HA H 178 4.544 4.682 -0.138 1
1 1381 . 3 1 1 A 156 156 VAL CA C 178 60.448 60.013 0.435 1
1 1382 . 3 1 1 A 156 156 VAL CB C 178 36.233 35.341 0.892 1
1 1384 . 3 1 1 A 156 156 VAL N N 178 126.166 123.582 2.584 1
1 1385 . 3 1 1 A 157 157 PHE H H 179 8.718 8.989 -0.271 1
1 1386 . 3 1 1 A 157 157 PHE HA H 179 5.010 5.080 -0.070 1
1 1391 . 3 1 1 A 157 157 PHE CA C 179 58.363 56.986 1.377 1
1 1392 . 3 1 1 A 157 157 PHE CB C 179 38.344 39.618 -1.274 1
1 1394 . 3 1 1 A 157 157 PHE N N 179 124.905 128.135 -3.230 1
1 1395 . 3 1 1 A 158 158 LEU H H 180 7.459 8.677 -1.218 1
1 1396 . 3 1 1 A 158 158 LEU HA H 180 4.402 4.539 -0.137 1
1 1397 . 3 1 1 A 158 158 LEU CA C 180 53.074 53.524 -0.450 1
1 1398 . 3 1 1 A 158 158 LEU CB C 180 41.738 42.279 -0.541 1
1 1399 . 3 1 1 A 158 158 LEU N N 180 125.466 126.009 -0.543 1
1 1400 . 3 1 1 A 159 159 PRO HA H 181 4.771 4.678 0.093 1
1 1401 . 3 1 1 A 159 159 PRO CA C 181 61.916 62.373 -0.457 1
1 1402 . 3 1 1 A 159 159 PRO CB C 181 32.363 33.249 -0.886 1
1 1405 . 3 1 1 A 161 161 PRO HA H 183 4.666 4.777 -0.111 1
1 1409 . 3 1 1 A 161 161 PRO CA C 183 62.292 62.799 -0.507 1
1 1410 . 3 1 1 A 161 161 PRO CB C 183 33.337 33.654 -0.317 1
1 1412 . 3 1 1 A 162 162 ASP H H 184 8.449 8.506 -0.057 1
1 1413 . 3 1 1 A 162 162 ASP HA H 184 4.467 5.164 -0.697 1
1 1416 . 3 1 1 A 162 162 ASP CA C 184 54.064 53.202 0.862 1
1 1417 . 3 1 1 A 162 162 ASP CB C 184 39.919 40.834 -0.915 1
1 1418 . 3 1 1 A 162 162 ASP N N 184 117.032 116.206 0.826 1
1 1419 . 3 1 1 A 163 163 LYS H H 185 7.195 7.965 -0.770 1
1 1420 . 3 1 1 A 163 163 LYS HA H 185 4.588 4.797 -0.209 1
1 1426 . 3 1 1 A 163 163 LYS CA C 185 55.499 56.022 -0.523 1
1 1427 . 3 1 1 A 163 163 LYS CB C 185 35.558 34.953 0.605 1
1 1431 . 3 1 1 A 163 163 LYS N N 185 115.300 120.563 -5.263 1
1 1432 . 3 1 1 A 164 164 CYS H H 186 8.427 8.587 -0.160 1
1 1433 . 3 1 1 A 164 164 CYS HA H 186 4.313 4.952 -0.639 1
1 1436 . 3 1 1 A 164 164 CYS CA C 186 57.607 55.999 1.608 1
1 1437 . 3 1 1 A 164 164 CYS CB C 186 35.042 46.591 -11.549 1
1 1438 . 3 1 1 A 164 164 CYS N N 186 107.133 121.858 -14.725 1
1 1439 . 3 1 1 A 165 165 ILE H H 187 7.881 8.675 -0.794 1
1 1440 . 3 1 1 A 165 165 ILE HA H 187 4.549 3.926 0.623 1
1 1450 . 3 1 1 A 165 165 ILE CA C 187 61.529 64.007 -2.478 1
1 1451 . 3 1 1 A 165 165 ILE CB C 187 39.748 37.852 1.896 1
1 1455 . 3 1 1 A 165 165 ILE N N 187 113.570 125.585 -12.015 1
1 1456 . 3 1 1 A 166 166 GLN H H 188 8.308 7.900 0.408 1
1 1457 . 3 1 1 A 166 166 GLN HA H 188 4.303 4.380 -0.077 1
1 1462 . 3 1 1 A 166 166 GLN CA C 188 56.928 56.923 0.005 1
1 1463 . 3 1 1 A 166 166 GLN CB C 188 28.637 29.364 -0.727 1
1 1465 . 3 1 1 A 166 166 GLN N N 188 122.915 121.162 1.753 1
1 3 . 4 1 1 A 2 2 SER H H 24 8.695 8.965 -0.270 1
1 4 . 4 1 1 A 2 2 SER HA H 24 4.531 4.411 0.120 1
1 6 . 4 1 1 A 2 2 SER CA C 24 58.296 58.590 -0.294 1
1 7 . 4 1 1 A 2 2 SER CB C 24 63.897 62.468 1.429 1
1 8 . 4 1 1 A 2 2 SER N N 24 115.751 120.724 -4.973 1
1 9 . 4 1 1 A 3 3 GLN H H 25 8.618 9.037 -0.419 1
1 10 . 4 1 1 A 3 3 GLN HA H 25 4.367 5.039 -0.672 1
1 14 . 4 1 1 A 3 3 GLN CA C 25 56.059 54.663 1.396 1
1 15 . 4 1 1 A 3 3 GLN CB C 25 29.248 33.421 -4.173 1
1 17 . 4 1 1 A 3 3 GLN N N 25 122.346 122.403 -0.057 1
1 18 . 4 1 1 A 4 4 GLY H H 26 8.431 7.801 0.630 1
1 19 . 4 1 1 A 4 4 GLY HA2 H 26 3.904 3.969 -0.065 1
1 20 . 4 1 1 A 4 4 GLY CA C 26 45.171 45.718 -0.547 1
1 21 . 4 1 1 A 4 4 GLY N N 26 109.885 109.164 0.721 1
1 22 . 4 1 1 A 5 5 HIS H H 27 8.342 7.758 0.584 1
1 23 . 4 1 1 A 5 5 HIS HA H 27 4.750 4.655 0.095 1
1 27 . 4 1 1 A 5 5 HIS CA C 27 54.946 56.247 -1.301 1
1 28 . 4 1 1 A 5 5 HIS CB C 27 29.344 31.110 -1.766 1
1 30 . 4 1 1 A 5 5 HIS N N 27 117.765 117.252 0.513 1
1 31 . 4 1 1 A 6 6 ASP H H 28 8.518 8.049 0.469 1
1 32 . 4 1 1 A 6 6 ASP HA H 28 4.735 4.373 0.362 1
1 35 . 4 1 1 A 6 6 ASP CA C 28 54.282 53.798 0.484 1
1 36 . 4 1 1 A 6 6 ASP CB C 28 41.098 39.604 1.494 1
1 37 . 4 1 1 A 6 6 ASP N N 28 121.910 119.787 2.123 1
1 38 . 4 1 1 A 7 7 THR H H 29 8.250 8.904 -0.654 1
1 39 . 4 1 1 A 7 7 THR HA H 29 4.343 4.243 0.100 1
1 44 . 4 1 1 A 7 7 THR CA C 29 62.124 63.694 -1.570 1
1 45 . 4 1 1 A 7 7 THR CB C 29 69.861 69.333 0.528 1
1 47 . 4 1 1 A 7 7 THR N N 29 116.925 115.640 1.285 1
1 48 . 4 1 1 A 8 8 VAL H H 30 7.798 7.754 0.044 1
1 49 . 4 1 1 A 8 8 VAL HA H 30 4.369 4.623 -0.254 1
1 54 . 4 1 1 A 8 8 VAL CA C 30 60.171 60.344 -0.173 1
1 55 . 4 1 1 A 8 8 VAL CB C 30 34.758 35.400 -0.642 1
1 57 . 4 1 1 A 8 8 VAL N N 30 119.837 118.879 0.958 1
1 58 . 4 1 1 A 9 9 GLN H H 31 8.472 8.238 0.234 1
1 59 . 4 1 1 A 9 9 GLN HA H 31 4.383 4.429 -0.046 1
1 63 . 4 1 1 A 9 9 GLN CA C 31 53.204 53.390 -0.186 1
1 64 . 4 1 1 A 9 9 GLN CB C 31 29.785 29.340 0.445 1
1 66 . 4 1 1 A 9 9 GLN N N 31 127.192 125.331 1.861 1
1 68 . 4 1 1 A 10 10 PRO HA H 32 4.426 4.448 -0.022 1
1 73 . 4 1 1 A 10 10 PRO CA C 32 63.431 63.030 0.401 1
1 74 . 4 1 1 A 10 10 PRO CB C 32 32.297 32.545 -0.248 1
1 77 . 4 1 1 A 11 11 ASN H H 33 8.972 8.846 0.126 1
1 78 . 4 1 1 A 11 11 ASN HA H 33 4.539 4.267 0.272 1
1 83 . 4 1 1 A 11 11 ASN CA C 33 53.563 53.916 -0.353 1
1 84 . 4 1 1 A 11 11 ASN CB C 33 37.923 36.999 0.924 1
1 85 . 4 1 1 A 11 11 ASN N N 33 119.013 115.078 3.935 1
1 87 . 4 1 1 A 12 12 PHE H H 34 7.996 8.280 -0.284 1
1 88 . 4 1 1 A 12 12 PHE HA H 34 4.186 4.977 -0.791 1
1 91 . 4 1 1 A 12 12 PHE CA C 34 59.402 57.171 2.231 1
1 92 . 4 1 1 A 12 12 PHE CB C 34 39.516 40.730 -1.214 1
1 93 . 4 1 1 A 12 12 PHE N N 34 119.073 118.120 0.953 1
1 94 . 4 1 1 A 13 13 GLN H H 35 7.402 8.963 -1.561 1
1 95 . 4 1 1 A 13 13 GLN HA H 35 4.303 4.449 -0.146 1
1 101 . 4 1 1 A 13 13 GLN CA C 35 53.093 55.383 -2.290 1
1 102 . 4 1 1 A 13 13 GLN CB C 35 29.598 29.838 -0.240 1
1 104 . 4 1 1 A 13 13 GLN N N 35 128.226 124.866 3.360 1
1 106 . 4 1 1 A 14 14 GLN H H 36 8.736 8.815 -0.079 1
1 107 . 4 1 1 A 14 14 GLN HA H 36 3.503 4.267 -0.764 1
1 110 . 4 1 1 A 14 14 GLN CA C 36 60.089 58.795 1.294 1
1 111 . 4 1 1 A 14 14 GLN CB C 36 29.596 28.095 1.501 1
1 113 . 4 1 1 A 14 14 GLN N N 36 124.702 122.931 1.771 1
1 114 . 4 1 1 A 15 15 ASP H H 37 8.628 8.190 0.438 1
1 115 . 4 1 1 A 15 15 ASP HA H 37 4.229 4.428 -0.199 1
1 118 . 4 1 1 A 15 15 ASP CA C 37 56.326 56.670 -0.344 1
1 119 . 4 1 1 A 15 15 ASP CB C 37 39.182 40.509 -1.327 1
1 120 . 4 1 1 A 15 15 ASP N N 37 114.027 120.278 -6.251 1
1 121 . 4 1 1 A 16 16 LYS H H 38 6.859 7.525 -0.666 1
1 122 . 4 1 1 A 16 16 LYS HA H 38 4.060 4.037 0.023 1
1 124 . 4 1 1 A 16 16 LYS CA C 38 56.445 58.742 -2.297 1
1 125 . 4 1 1 A 16 16 LYS CB C 38 31.077 31.691 -0.614 1
1 129 . 4 1 1 A 16 16 LYS N N 38 116.638 120.789 -4.151 1
1 130 . 4 1 1 A 17 17 PHE H H 39 7.454 7.771 -0.317 1
1 131 . 4 1 1 A 17 17 PHE HA H 39 4.822 4.167 0.655 1
1 135 . 4 1 1 A 17 17 PHE CA C 39 57.301 60.621 -3.320 1
1 136 . 4 1 1 A 17 17 PHE CB C 39 42.087 39.564 2.523 1
1 137 . 4 1 1 A 17 17 PHE N N 39 119.221 121.134 -1.913 1
1 138 . 4 1 1 A 18 18 LEU H H 40 6.674 7.423 -0.749 1
1 139 . 4 1 1 A 18 18 LEU HA H 40 3.911 4.900 -0.989 1
1 149 . 4 1 1 A 18 18 LEU CA C 40 54.860 53.958 0.902 1
1 150 . 4 1 1 A 18 18 LEU CB C 40 42.421 43.225 -0.804 1
1 154 . 4 1 1 A 18 18 LEU N N 40 112.003 115.075 -3.072 1
1 155 . 4 1 1 A 19 19 GLY H H 41 8.876 8.237 0.639 1
1 156 . 4 1 1 A 19 19 GLY HA2 H 41 3.718 3.857 -0.139 1
1 157 . 4 1 1 A 19 19 GLY HA3 H 41 4.341 3.992 0.349 1
1 158 . 4 1 1 A 19 19 GLY CA C 41 44.093 45.460 -1.367 1
1 159 . 4 1 1 A 19 19 GLY N N 41 107.870 108.922 -1.052 1
1 160 . 4 1 1 A 20 20 ARG H H 42 8.678 8.073 0.605 1
1 161 . 4 1 1 A 20 20 ARG HA H 42 4.495 4.035 0.460 1
1 163 . 4 1 1 A 20 20 ARG CA C 42 56.924 55.786 1.138 1
1 164 . 4 1 1 A 20 20 ARG CB C 42 30.828 30.209 0.619 1
1 165 . 4 1 1 A 20 20 ARG N N 42 121.873 117.375 4.498 1
1 166 . 4 1 1 A 21 21 TRP H H 43 9.320 9.032 0.288 1
1 167 . 4 1 1 A 21 21 TRP HA H 43 4.685 5.147 -0.462 1
1 171 . 4 1 1 A 21 21 TRP CA C 43 55.343 55.781 -0.438 1
1 172 . 4 1 1 A 21 21 TRP CB C 43 34.550 34.565 -0.015 1
1 174 . 4 1 1 A 21 21 TRP N N 43 130.676 122.354 8.322 1
1 176 . 4 1 1 A 22 22 TYR H H 44 9.661 9.165 0.496 1
1 177 . 4 1 1 A 22 22 TYR HA H 44 5.607 4.971 0.636 1
1 182 . 4 1 1 A 22 22 TYR CA C 44 56.782 56.325 0.457 1
1 183 . 4 1 1 A 22 22 TYR CB C 44 39.975 41.308 -1.333 1
1 186 . 4 1 1 A 22 22 TYR N N 44 117.926 120.096 -2.170 1
1 187 . 4 1 1 A 23 23 SER H H 45 9.249 8.627 0.622 1
1 188 . 4 1 1 A 23 23 SER HA H 45 4.705 3.211 1.494 1
1 191 . 4 1 1 A 23 23 SER CA C 45 57.060 57.687 -0.627 1
1 192 . 4 1 1 A 23 23 SER CB C 45 62.668 62.528 0.140 1
1 193 . 4 1 1 A 23 23 SER N N 45 119.038 119.828 -0.790 1
1 194 . 4 1 1 A 24 24 ALA H H 46 8.724 7.424 1.300 1
1 195 . 4 1 1 A 24 24 ALA HA H 46 4.877 4.604 0.273 1
1 199 . 4 1 1 A 24 24 ALA CA C 46 51.953 50.762 1.191 1
1 200 . 4 1 1 A 24 24 ALA CB C 46 22.855 22.095 0.760 1
1 201 . 4 1 1 A 24 24 ALA N N 46 126.183 128.625 -2.442 1
1 202 . 4 1 1 A 25 25 GLY H H 47 7.820 8.639 -0.819 1
1 203 . 4 1 1 A 25 25 GLY HA2 H 47 2.841 3.639 -0.798 1
1 204 . 4 1 1 A 25 25 GLY HA3 H 47 4.943 3.679 1.264 1
1 205 . 4 1 1 A 25 25 GLY CA C 47 45.285 45.042 0.243 1
1 206 . 4 1 1 A 25 25 GLY N N 47 107.738 107.869 -0.131 1
1 207 . 4 1 1 A 26 26 LEU H H 48 9.082 8.376 0.706 1
1 208 . 4 1 1 A 26 26 LEU HA H 48 5.454 4.853 0.601 1
1 217 . 4 1 1 A 26 26 LEU CA C 48 54.277 53.496 0.781 1
1 218 . 4 1 1 A 26 26 LEU CB C 48 49.097 45.622 3.475 1
1 222 . 4 1 1 A 26 26 LEU N N 48 125.132 124.964 0.168 1
1 223 . 4 1 1 A 27 27 ALA H H 49 8.854 8.782 0.072 1
1 224 . 4 1 1 A 27 27 ALA HA H 49 5.571 5.600 -0.029 1
1 228 . 4 1 1 A 27 27 ALA CA C 49 50.788 51.221 -0.433 1
1 229 . 4 1 1 A 27 27 ALA CB C 49 24.289 22.656 1.633 1
1 230 . 4 1 1 A 27 27 ALA N N 49 123.650 125.329 -1.679 1
1 231 . 4 1 1 A 28 28 SER H H 50 7.321 9.235 -1.914 1
1 232 . 4 1 1 A 28 28 SER HA H 50 4.625 4.996 -0.371 1
1 235 . 4 1 1 A 28 28 SER CA C 50 56.119 57.709 -1.590 1
1 236 . 4 1 1 A 28 28 SER CB C 50 64.886 67.420 -2.534 1
1 237 . 4 1 1 A 28 28 SER N N 50 113.858 116.757 -2.899 1
1 238 . 4 1 1 A 29 29 ASN H H 51 7.743 8.673 -0.930 1
1 239 . 4 1 1 A 29 29 ASN HA H 51 4.809 4.830 -0.021 1
1 244 . 4 1 1 A 29 29 ASN CA C 51 51.651 56.952 -5.301 1
1 245 . 4 1 1 A 29 29 ASN CB C 51 37.860 38.469 -0.609 1
1 246 . 4 1 1 A 29 29 ASN N N 51 120.399 122.554 -2.155 1
1 248 . 4 1 1 A 30 30 SER H H 52 8.156 8.233 -0.077 1
1 249 . 4 1 1 A 30 30 SER HA H 52 4.460 4.643 -0.183 1
1 252 . 4 1 1 A 30 30 SER CA C 52 58.432 58.069 0.363 1
1 253 . 4 1 1 A 30 30 SER CB C 52 64.745 65.134 -0.389 1
1 254 . 4 1 1 A 30 30 SER N N 52 116.012 115.105 0.907 1
1 255 . 4 1 1 A 31 31 SER H H 53 9.142 8.831 0.311 1
1 256 . 4 1 1 A 31 31 SER HA H 53 4.003 4.894 -0.891 1
1 258 . 4 1 1 A 31 31 SER N N 53 120.999 118.500 2.499 1
1 259 . 4 1 1 A 32 32 TRP H H 54 8.030 7.713 0.317 1
1 260 . 4 1 1 A 32 32 TRP HA H 54 4.329 4.270 0.059 1
1 265 . 4 1 1 A 32 32 TRP CA C 54 60.082 61.015 -0.933 1
1 266 . 4 1 1 A 32 32 TRP CB C 54 28.641 29.108 -0.467 1
1 268 . 4 1 1 A 32 32 TRP N N 54 121.477 123.543 -2.066 1
1 270 . 4 1 1 A 33 33 PHE H H 55 7.333 8.418 -1.085 1
1 271 . 4 1 1 A 33 33 PHE HA H 55 3.603 4.308 -0.705 1
1 275 . 4 1 1 A 33 33 PHE CA C 55 61.288 62.278 -0.990 1
1 276 . 4 1 1 A 33 33 PHE CB C 55 39.446 38.598 0.848 1
1 278 . 4 1 1 A 33 33 PHE N N 55 120.174 118.100 2.074 1
1 279 . 4 1 1 A 34 34 ARG H H 56 7.860 8.399 -0.539 1
1 280 . 4 1 1 A 34 34 ARG HA H 56 3.721 4.034 -0.313 1
1 285 . 4 1 1 A 34 34 ARG CA C 56 59.457 59.842 -0.385 1
1 286 . 4 1 1 A 34 34 ARG CB C 56 30.014 29.819 0.195 1
1 289 . 4 1 1 A 34 34 ARG N N 56 117.452 120.729 -3.277 1
1 290 . 4 1 1 A 35 35 GLU H H 57 7.715 7.877 -0.162 1
1 291 . 4 1 1 A 35 35 GLU HA H 57 4.100 4.121 -0.021 1
1 295 . 4 1 1 A 35 35 GLU CA C 57 57.997 58.674 -0.677 1
1 296 . 4 1 1 A 35 35 GLU CB C 57 29.970 29.465 0.505 1
1 298 . 4 1 1 A 35 35 GLU N N 57 116.049 119.590 -3.541 1
1 299 . 4 1 1 A 36 36 LYS H H 58 7.614 7.748 -0.134 1
1 300 . 4 1 1 A 36 36 LYS HA H 58 4.225 4.453 -0.228 1
1 305 . 4 1 1 A 36 36 LYS CA C 58 55.355 57.235 -1.880 1
1 306 . 4 1 1 A 36 36 LYS CB C 58 32.528 32.989 -0.461 1
1 310 . 4 1 1 A 36 36 LYS N N 58 116.955 119.327 -2.372 1
1 311 . 4 1 1 A 37 37 LYS H H 59 7.546 8.113 -0.567 1
1 312 . 4 1 1 A 37 37 LYS HA H 59 3.403 4.144 -0.741 1
1 315 . 4 1 1 A 37 37 LYS CA C 59 59.757 58.608 1.149 1
1 316 . 4 1 1 A 37 37 LYS CB C 59 31.569 32.316 -0.747 1
1 320 . 4 1 1 A 37 37 LYS N N 59 118.551 119.871 -1.320 1
1 321 . 4 1 1 A 38 38 ALA H H 60 7.940 8.311 -0.371 1
1 322 . 4 1 1 A 38 38 ALA HA H 60 4.215 4.098 0.117 1
1 326 . 4 1 1 A 38 38 ALA CA C 60 53.352 54.617 -1.265 1
1 327 . 4 1 1 A 38 38 ALA CB C 60 19.247 18.399 0.848 1
1 328 . 4 1 1 A 38 38 ALA N N 60 118.227 121.559 -3.332 1
1 329 . 4 1 1 A 39 39 VAL H H 61 7.917 8.086 -0.169 1
1 330 . 4 1 1 A 39 39 VAL HA H 61 4.466 4.071 0.395 1
1 338 . 4 1 1 A 39 39 VAL CA C 61 60.339 66.222 -5.883 1
1 339 . 4 1 1 A 39 39 VAL CB C 61 31.626 32.104 -0.478 1
1 342 . 4 1 1 A 39 39 VAL N N 61 111.011 115.786 -4.775 1
1 343 . 4 1 1 A 40 40 LEU H H 62 6.773 8.002 -1.229 1
1 344 . 4 1 1 A 40 40 LEU HA H 62 4.495 4.069 0.426 1
1 350 . 4 1 1 A 40 40 LEU CA C 62 54.357 55.439 -1.082 1
1 351 . 4 1 1 A 40 40 LEU CB C 62 43.272 40.984 2.288 1
1 353 . 4 1 1 A 40 40 LEU N N 62 121.749 120.939 0.810 1
1 354 . 4 1 1 A 41 41 TYR H H 63 8.277 7.659 0.618 1
1 355 . 4 1 1 A 41 41 TYR HA H 63 4.837 5.548 -0.711 1
1 358 . 4 1 1 A 41 41 TYR CA C 63 56.696 55.635 1.061 1
1 359 . 4 1 1 A 41 41 TYR CB C 63 42.753 42.129 0.624 1
1 360 . 4 1 1 A 41 41 TYR N N 63 118.215 121.950 -3.735 1
1 361 . 4 1 1 A 42 42 MET H H 64 8.749 9.327 -0.578 1
1 362 . 4 1 1 A 42 42 MET HA H 64 4.324 5.417 -1.093 1
1 368 . 4 1 1 A 42 42 MET CA C 64 57.707 53.623 4.084 1
1 369 . 4 1 1 A 42 42 MET CB C 64 35.348 34.970 0.378 1
1 372 . 4 1 1 A 42 42 MET N N 64 122.104 119.478 2.626 1
1 373 . 4 1 1 A 43 43 ALA H H 65 7.715 9.099 -1.384 1
1 374 . 4 1 1 A 43 43 ALA HA H 65 5.260 5.576 -0.316 1
1 378 . 4 1 1 A 43 43 ALA CA C 65 50.030 50.167 -0.137 1
1 379 . 4 1 1 A 43 43 ALA CB C 65 22.614 21.952 0.662 1
1 380 . 4 1 1 A 43 43 ALA N N 65 126.545 125.458 1.087 1
1 381 . 4 1 1 A 44 44 LYS H H 66 8.405 9.523 -1.118 1
1 382 . 4 1 1 A 44 44 LYS HA H 66 4.790 4.702 0.088 1
1 385 . 4 1 1 A 44 44 LYS CA C 66 55.700 55.528 0.172 1
1 386 . 4 1 1 A 44 44 LYS CB C 66 34.887 32.918 1.969 1
1 387 . 4 1 1 A 44 44 LYS N N 66 122.330 122.900 -0.570 1
1 388 . 4 1 1 A 45 45 THR H H 67 9.398 8.523 0.875 1
1 389 . 4 1 1 A 45 45 THR HA H 67 5.067 5.405 -0.338 1
1 394 . 4 1 1 A 45 45 THR CA C 67 62.069 62.222 -0.153 1
1 395 . 4 1 1 A 45 45 THR CB C 67 72.034 70.535 1.499 1
1 397 . 4 1 1 A 45 45 THR N N 67 125.471 121.384 4.087 1
1 398 . 4 1 1 A 46 46 VAL H H 68 9.026 8.661 0.365 1
1 399 . 4 1 1 A 46 46 VAL HA H 68 4.510 4.794 -0.284 1
1 404 . 4 1 1 A 46 46 VAL CA C 68 61.532 61.105 0.427 1
1 405 . 4 1 1 A 46 46 VAL CB C 68 33.257 34.772 -1.515 1
1 407 . 4 1 1 A 46 46 VAL N N 68 126.960 126.177 0.783 1
1 408 . 4 1 1 A 47 47 VAL H H 69 9.346 8.662 0.684 1
1 409 . 4 1 1 A 47 47 VAL HA H 69 4.700 4.512 0.188 1
1 417 . 4 1 1 A 47 47 VAL CA C 69 61.990 61.469 0.521 1
1 418 . 4 1 1 A 47 47 VAL CB C 69 32.495 32.207 0.288 1
1 421 . 4 1 1 A 47 47 VAL N N 69 130.792 129.023 1.769 1
1 422 . 4 1 1 A 48 48 ALA H H 70 9.268 9.104 0.164 1
1 423 . 4 1 1 A 48 48 ALA HA H 70 5.121 4.785 0.336 1
1 427 . 4 1 1 A 48 48 ALA CA C 70 49.710 49.285 0.425 1
1 428 . 4 1 1 A 48 48 ALA CB C 70 21.349 21.113 0.236 1
1 429 . 4 1 1 A 48 48 ALA N N 70 133.796 130.031 3.765 1
1 430 . 4 1 1 A 49 49 PRO HA H 71 4.842 5.052 -0.210 1
1 433 . 4 1 1 A 49 49 PRO CA C 71 63.040 62.921 0.119 1
1 434 . 4 1 1 A 49 49 PRO CB C 71 32.195 31.620 0.575 1
1 437 . 4 1 1 A 50 50 SER H H 72 8.025 9.157 -1.132 1
1 438 . 4 1 1 A 50 50 SER HA H 72 4.914 5.120 -0.206 1
1 441 . 4 1 1 A 50 50 SER CA C 72 55.615 57.443 -1.828 1
1 442 . 4 1 1 A 50 50 SER CB C 72 65.439 66.312 -0.873 1
1 443 . 4 1 1 A 50 50 SER N N 72 117.492 119.454 -1.962 1
1 444 . 4 1 1 A 51 51 THR H H 73 8.730 9.375 -0.645 1
1 445 . 4 1 1 A 51 51 THR HA H 73 4.145 4.212 -0.067 1
1 450 . 4 1 1 A 51 51 THR CA C 73 64.544 65.435 -0.891 1
1 451 . 4 1 1 A 51 51 THR CB C 73 68.785 68.552 0.233 1
1 453 . 4 1 1 A 51 51 THR N N 73 116.878 118.304 -1.426 1
1 454 . 4 1 1 A 52 52 GLU H H 74 8.151 8.099 0.052 1
1 455 . 4 1 1 A 52 52 GLU HA H 74 4.475 4.317 0.158 1
1 459 . 4 1 1 A 52 52 GLU CA C 74 56.422 56.633 -0.211 1
1 460 . 4 1 1 A 52 52 GLU CB C 74 28.860 29.601 -0.741 1
1 462 . 4 1 1 A 52 52 GLU N N 74 118.204 119.970 -1.766 1
1 463 . 4 1 1 A 53 53 GLY H H 75 7.778 7.209 0.569 1
1 464 . 4 1 1 A 53 53 GLY HA2 H 75 3.864 4.117 -0.253 1
1 465 . 4 1 1 A 53 53 GLY HA3 H 75 4.446 4.133 0.313 1
1 466 . 4 1 1 A 53 53 GLY CA C 75 45.501 45.391 0.110 1
1 467 . 4 1 1 A 53 53 GLY N N 75 106.348 106.663 -0.315 1
1 468 . 4 1 1 A 54 54 GLY H H 76 7.775 8.324 -0.549 1
1 469 . 4 1 1 A 54 54 GLY HA2 H 76 4.177 3.984 0.193 1
1 470 . 4 1 1 A 54 54 GLY HA3 H 76 4.677 4.056 0.621 1
1 471 . 4 1 1 A 54 54 GLY CA C 76 43.906 47.357 -3.451 1
1 472 . 4 1 1 A 54 54 GLY N N 76 108.460 107.503 0.957 1
1 473 . 4 1 1 A 55 55 LEU H H 77 8.311 8.108 0.203 1
1 474 . 4 1 1 A 55 55 LEU HA H 77 5.116 5.367 -0.251 1
1 477 . 4 1 1 A 55 55 LEU CA C 77 53.425 53.178 0.247 1
1 478 . 4 1 1 A 55 55 LEU CB C 77 47.604 44.837 2.767 1
1 479 . 4 1 1 A 55 55 LEU N N 77 120.236 123.070 -2.834 1
1 480 . 4 1 1 A 56 56 ASN H H 78 9.424 9.648 -0.224 1
1 481 . 4 1 1 A 56 56 ASN HA H 78 5.149 5.278 -0.129 1
1 485 . 4 1 1 A 56 56 ASN CA C 78 52.316 51.910 0.406 1
1 486 . 4 1 1 A 56 56 ASN CB C 78 40.839 40.561 0.278 1
1 487 . 4 1 1 A 56 56 ASN N N 78 120.305 121.909 -1.604 1
1 489 . 4 1 1 A 57 57 LEU H H 79 9.259 8.202 1.057 1
1 490 . 4 1 1 A 57 57 LEU HA H 79 4.903 5.845 -0.942 1
1 491 . 4 1 1 A 57 57 LEU CA C 79 54.713 54.012 0.701 1
1 492 . 4 1 1 A 57 57 LEU CB C 79 42.533 42.481 0.052 1
1 493 . 4 1 1 A 57 57 LEU N N 79 127.309 123.951 3.358 1
1 494 . 4 1 1 A 58 58 THR H H 80 8.973 9.487 -0.514 1
1 495 . 4 1 1 A 58 58 THR HA H 80 4.941 4.942 -0.001 1
1 500 . 4 1 1 A 58 58 THR CA C 80 62.501 61.804 0.697 1
1 501 . 4 1 1 A 58 58 THR CB C 80 68.984 69.704 -0.720 1
1 503 . 4 1 1 A 58 58 THR N N 80 122.763 120.393 2.370 1
1 504 . 4 1 1 A 59 59 SER H H 81 9.549 9.035 0.514 1
1 505 . 4 1 1 A 59 59 SER HA H 81 6.045 6.132 -0.087 1
1 507 . 4 1 1 A 59 59 SER CA C 81 57.242 56.729 0.513 1
1 508 . 4 1 1 A 59 59 SER CB C 81 65.536 64.889 0.647 1
1 509 . 4 1 1 A 59 59 SER N N 81 126.425 121.668 4.757 1
1 510 . 4 1 1 A 60 60 THR H H 82 9.332 8.968 0.364 1
1 511 . 4 1 1 A 60 60 THR HA H 82 5.464 5.238 0.226 1
1 516 . 4 1 1 A 60 60 THR CA C 82 61.719 60.559 1.160 1
1 517 . 4 1 1 A 60 60 THR CB C 82 70.846 70.857 -0.011 1
1 519 . 4 1 1 A 60 60 THR N N 82 121.445 115.468 5.977 1
1 520 . 4 1 1 A 61 61 PHE H H 83 8.794 8.362 0.432 1
1 521 . 4 1 1 A 61 61 PHE HA H 83 5.266 7.211 -1.945 1
1 525 . 4 1 1 A 61 61 PHE CA C 83 54.698 55.114 -0.416 1
1 526 . 4 1 1 A 61 61 PHE CB C 83 42.327 42.788 -0.461 1
1 528 . 4 1 1 A 61 61 PHE N N 83 121.707 120.060 1.647 1
1 529 . 4 1 1 A 62 62 LEU H H 84 8.915 8.633 0.282 1
1 530 . 4 1 1 A 62 62 LEU HA H 84 4.885 5.410 -0.525 1
1 540 . 4 1 1 A 62 62 LEU CA C 84 54.447 53.726 0.721 1
1 541 . 4 1 1 A 62 62 LEU CB C 84 43.627 44.941 -1.314 1
1 545 . 4 1 1 A 62 62 LEU N N 84 122.160 122.919 -0.759 1
1 546 . 4 1 1 A 63 63 ARG H H 85 9.213 9.807 -0.594 1
1 547 . 4 1 1 A 63 63 ARG HA H 85 4.645 4.877 -0.232 1
1 551 . 4 1 1 A 63 63 ARG CA C 85 56.244 54.760 1.484 1
1 552 . 4 1 1 A 63 63 ARG CB C 85 32.551 31.450 1.101 1
1 555 . 4 1 1 A 63 63 ARG N N 85 128.889 126.561 2.328 1
1 556 . 4 1 1 A 64 64 LYS H H 86 9.466 9.529 -0.063 1
1 557 . 4 1 1 A 64 64 LYS HA H 86 3.869 3.979 -0.110 1
1 563 . 4 1 1 A 64 64 LYS CA C 86 58.497 57.519 0.978 1
1 564 . 4 1 1 A 64 64 LYS CB C 86 30.202 30.864 -0.662 1
1 568 . 4 1 1 A 64 64 LYS N N 86 127.634 125.826 1.808 1
1 569 . 4 1 1 A 65 65 ASN H H 87 8.648 8.650 -0.002 1
1 570 . 4 1 1 A 65 65 ASN HA H 87 4.500 4.295 0.205 1
1 575 . 4 1 1 A 65 65 ASN CA C 87 54.059 54.600 -0.541 1
1 576 . 4 1 1 A 65 65 ASN CB C 87 38.861 37.147 1.714 1
1 577 . 4 1 1 A 65 65 ASN N N 87 113.645 109.012 4.633 1
1 579 . 4 1 1 A 66 66 GLN H H 88 8.009 7.568 0.441 1
1 580 . 4 1 1 A 66 66 GLN HA H 88 4.720 4.723 -0.003 1
1 586 . 4 1 1 A 66 66 GLN CA C 88 53.951 55.033 -1.082 1
1 587 . 4 1 1 A 66 66 GLN CB C 88 32.360 31.540 0.820 1
1 589 . 4 1 1 A 66 66 GLN N N 88 118.506 116.027 2.479 1
1 591 . 4 1 1 A 67 67 CYS H H 89 8.712 9.057 -0.345 1
1 592 . 4 1 1 A 67 67 CYS HA H 89 5.398 5.549 -0.151 1
1 595 . 4 1 1 A 67 67 CYS CA C 89 52.821 54.328 -1.507 1
1 596 . 4 1 1 A 67 67 CYS CB C 89 36.780 45.124 -8.344 1
1 597 . 4 1 1 A 67 67 CYS N N 89 119.694 123.679 -3.985 1
1 598 . 4 1 1 A 68 68 GLU H H 90 9.083 8.523 0.560 1
1 599 . 4 1 1 A 68 68 GLU HA H 90 4.568 4.948 -0.380 1
1 603 . 4 1 1 A 68 68 GLU CA C 90 54.905 54.520 0.385 1
1 604 . 4 1 1 A 68 68 GLU CB C 90 33.372 33.225 0.147 1
1 606 . 4 1 1 A 68 68 GLU N N 90 126.906 126.521 0.385 1
1 607 . 4 1 1 A 69 69 THR H H 91 8.233 8.412 -0.179 1
1 608 . 4 1 1 A 69 69 THR HA H 91 5.721 4.986 0.735 1
1 613 . 4 1 1 A 69 69 THR CA C 91 60.732 61.004 -0.272 1
1 614 . 4 1 1 A 69 69 THR CB C 91 71.796 71.164 0.632 1
1 616 . 4 1 1 A 69 69 THR N N 91 115.413 120.182 -4.769 1
1 617 . 4 1 1 A 70 70 LYS H H 92 9.232 8.642 0.590 1
1 618 . 4 1 1 A 70 70 LYS HA H 92 4.847 5.062 -0.215 1
1 624 . 4 1 1 A 70 70 LYS CA C 92 54.766 54.925 -0.159 1
1 625 . 4 1 1 A 70 70 LYS CB C 92 36.982 35.759 1.223 1
1 629 . 4 1 1 A 70 70 LYS N N 92 125.378 123.508 1.870 1
1 630 . 4 1 1 A 71 71 ILE H H 93 8.751 9.050 -0.299 1
1 631 . 4 1 1 A 71 71 ILE HA H 93 5.101 5.024 0.077 1
1 641 . 4 1 1 A 71 71 ILE CA C 93 60.391 59.998 0.393 1
1 642 . 4 1 1 A 71 71 ILE CB C 93 40.534 40.158 0.376 1
1 646 . 4 1 1 A 71 71 ILE N N 93 124.290 124.636 -0.346 1
1 647 . 4 1 1 A 72 72 MET H H 94 9.003 8.908 0.095 1
1 648 . 4 1 1 A 72 72 MET HA H 94 4.775 5.585 -0.810 1
1 651 . 4 1 1 A 72 72 MET CA C 94 54.673 53.671 1.002 1
1 652 . 4 1 1 A 72 72 MET CB C 94 36.889 35.103 1.786 1
1 654 . 4 1 1 A 72 72 MET N N 94 127.651 124.747 2.904 1
1 655 . 4 1 1 A 73 73 VAL H H 95 8.607 9.352 -0.745 1
1 656 . 4 1 1 A 73 73 VAL HA H 95 4.740 4.778 -0.038 1
1 661 . 4 1 1 A 73 73 VAL CA C 95 62.080 61.824 0.256 1
1 662 . 4 1 1 A 73 73 VAL CB C 95 33.333 33.052 0.281 1
1 664 . 4 1 1 A 73 73 VAL N N 95 125.436 124.442 0.994 1
1 665 . 4 1 1 A 74 74 LEU H H 96 9.278 9.054 0.224 1
1 666 . 4 1 1 A 74 74 LEU HA H 96 5.089 5.497 -0.408 1
1 668 . 4 1 1 A 74 74 LEU CA C 96 53.117 52.990 0.127 1
1 669 . 4 1 1 A 74 74 LEU CB C 96 42.342 43.904 -1.562 1
1 670 . 4 1 1 A 74 74 LEU N N 96 127.760 127.869 -0.109 1
1 671 . 4 1 1 A 75 75 GLN H H 97 9.280 8.723 0.557 1
1 672 . 4 1 1 A 75 75 GLN HA H 97 5.018 5.484 -0.466 1
1 675 . 4 1 1 A 75 75 GLN CA C 97 53.326 53.625 -0.299 1
1 676 . 4 1 1 A 75 75 GLN CB C 97 29.255 30.313 -1.058 1
1 678 . 4 1 1 A 75 75 GLN N N 97 125.135 122.811 2.324 1
1 679 . 4 1 1 A 76 76 PRO HA H 98 4.407 3.889 0.518 1
1 682 . 4 1 1 A 76 76 PRO CA C 98 64.216 62.565 1.651 1
1 683 . 4 1 1 A 76 76 PRO CB C 98 32.365 32.425 -0.060 1
1 684 . 4 1 1 A 77 77 ALA H H 99 8.021 7.960 0.061 1
1 685 . 4 1 1 A 77 77 ALA HA H 99 4.691 4.647 0.044 1
1 689 . 4 1 1 A 77 77 ALA CA C 99 50.927 51.250 -0.323 1
1 690 . 4 1 1 A 77 77 ALA CB C 99 20.003 19.305 0.698 1
1 691 . 4 1 1 A 77 77 ALA N N 99 126.607 125.079 1.528 1
1 692 . 4 1 1 A 78 78 GLY H H 100 8.185 8.123 0.062 1
1 693 . 4 1 1 A 78 78 GLY HA2 H 100 3.560 3.861 -0.301 1
1 694 . 4 1 1 A 78 78 GLY HA3 H 100 4.211 3.866 0.345 1
1 695 . 4 1 1 A 78 78 GLY CA C 100 45.692 47.053 -1.361 1
1 696 . 4 1 1 A 78 78 GLY N N 100 109.388 107.260 2.128 1
1 697 . 4 1 1 A 79 79 ALA H H 101 8.074 7.482 0.592 1
1 698 . 4 1 1 A 79 79 ALA HA H 101 4.624 4.545 0.079 1
1 702 . 4 1 1 A 79 79 ALA CA C 101 50.576 50.474 0.102 1
1 703 . 4 1 1 A 79 79 ALA CB C 101 18.277 19.327 -1.050 1
1 704 . 4 1 1 A 79 79 ALA N N 101 126.934 125.204 1.730 1
1 705 . 4 1 1 A 80 80 PRO HA H 102 4.425 4.223 0.202 1
1 707 . 4 1 1 A 80 80 PRO CA C 102 63.915 63.768 0.147 1
1 708 . 4 1 1 A 80 80 PRO CB C 102 32.093 32.137 -0.044 1
1 711 . 4 1 1 A 81 81 GLY H H 103 8.227 8.990 -0.763 1
1 712 . 4 1 1 A 81 81 GLY HA2 H 103 2.428 3.644 -1.216 1
1 713 . 4 1 1 A 81 81 GLY HA3 H 103 3.673 3.910 -0.237 1
1 714 . 4 1 1 A 81 81 GLY CA C 103 44.671 45.687 -1.016 1
1 715 . 4 1 1 A 81 81 GLY N N 103 111.362 110.801 0.561 1
1 716 . 4 1 1 A 82 82 HIS H H 104 7.610 7.573 0.037 1
1 717 . 4 1 1 A 82 82 HIS HA H 104 5.169 4.682 0.487 1
1 721 . 4 1 1 A 82 82 HIS CA C 104 54.457 56.031 -1.574 1
1 722 . 4 1 1 A 82 82 HIS CB C 104 29.867 32.740 -2.873 1
1 724 . 4 1 1 A 82 82 HIS N N 104 117.393 117.493 -0.100 1
1 725 . 4 1 1 A 83 83 TYR H H 105 9.164 8.271 0.893 1
1 726 . 4 1 1 A 83 83 TYR HA H 105 5.465 5.122 0.343 1
1 730 . 4 1 1 A 83 83 TYR CA C 105 56.894 55.920 0.974 1
1 731 . 4 1 1 A 83 83 TYR CB C 105 44.686 42.734 1.952 1
1 733 . 4 1 1 A 83 83 TYR N N 105 122.473 124.029 -1.556 1
1 734 . 4 1 1 A 84 84 THR H H 106 9.475 9.675 -0.200 1
1 735 . 4 1 1 A 84 84 THR HA H 106 5.439 5.325 0.114 1
1 740 . 4 1 1 A 84 84 THR CA C 106 60.469 59.645 0.824 1
1 741 . 4 1 1 A 84 84 THR CB C 106 72.344 72.208 0.136 1
1 743 . 4 1 1 A 84 84 THR N N 106 112.202 113.228 -1.026 1
1 744 . 4 1 1 A 85 85 TYR H H 107 8.723 8.933 -0.210 1
1 745 . 4 1 1 A 85 85 TYR HA H 107 5.239 5.516 -0.277 1
1 749 . 4 1 1 A 85 85 TYR CA C 107 56.392 56.721 -0.329 1
1 750 . 4 1 1 A 85 85 TYR CB C 107 41.653 42.586 -0.933 1
1 751 . 4 1 1 A 85 85 TYR N N 107 118.519 124.567 -6.048 1
1 752 . 4 1 1 A 86 86 SER H H 108 8.509 8.880 -0.371 1
1 753 . 4 1 1 A 86 86 SER HA H 108 4.564 5.066 -0.502 1
1 755 . 4 1 1 A 86 86 SER CA C 108 56.420 56.236 0.184 1
1 756 . 4 1 1 A 86 86 SER CB C 108 63.939 64.529 -0.590 1
1 757 . 4 1 1 A 86 86 SER N N 108 120.384 121.487 -1.103 1
1 758 . 4 1 1 A 87 87 SER H H 109 8.155 9.122 -0.967 1
1 759 . 4 1 1 A 87 87 SER HA H 109 4.519 4.161 0.358 1
1 762 . 4 1 1 A 87 87 SER CA C 109 56.046 56.724 -0.678 1
1 763 . 4 1 1 A 87 87 SER CB C 109 63.145 63.456 -0.311 1
1 764 . 4 1 1 A 87 87 SER N N 109 120.949 122.035 -1.086 1
1 765 . 4 1 1 A 88 88 PRO HA H 110 4.287 4.561 -0.274 1
1 767 . 4 1 1 A 88 88 PRO CA C 110 64.081 62.618 1.463 1
1 768 . 4 1 1 A 88 88 PRO CB C 110 32.049 29.401 2.648 1
1 771 . 4 1 1 A 89 89 HIS H H 111 8.535 8.216 0.319 1
1 772 . 4 1 1 A 89 89 HIS HA H 111 4.421 4.798 -0.377 1
1 774 . 4 1 1 A 89 89 HIS CA C 111 56.683 57.104 -0.421 1
1 775 . 4 1 1 A 89 89 HIS CB C 111 27.859 30.910 -3.051 1
1 776 . 4 1 1 A 89 89 HIS N N 111 115.372 121.664 -6.292 1
1 777 . 4 1 1 A 90 90 SER H H 112 8.012 8.012 0.000 1
1 778 . 4 1 1 A 90 90 SER HA H 112 4.422 4.501 -0.079 1
1 781 . 4 1 1 A 90 90 SER CA C 112 58.586 58.066 0.520 1
1 782 . 4 1 1 A 90 90 SER CB C 112 64.405 63.234 1.171 1
1 783 . 4 1 1 A 90 90 SER N N 112 112.865 112.431 0.434 1
1 784 . 4 1 1 A 91 91 GLY H H 113 8.239 7.970 0.269 1
1 785 . 4 1 1 A 91 91 GLY HA2 H 113 3.911 3.943 -0.032 1
1 786 . 4 1 1 A 91 91 GLY HA3 H 113 3.966 3.955 0.011 1
1 787 . 4 1 1 A 91 91 GLY CA C 113 45.627 46.236 -0.609 1
1 788 . 4 1 1 A 91 91 GLY N N 113 110.848 110.899 -0.051 1
1 789 . 4 1 1 A 92 92 SER H H 114 7.757 8.026 -0.269 1
1 790 . 4 1 1 A 92 92 SER HA H 114 4.518 4.706 -0.188 1
1 792 . 4 1 1 A 92 92 SER CA C 114 58.132 57.507 0.625 1
1 793 . 4 1 1 A 92 92 SER CB C 114 64.340 64.513 -0.173 1
1 794 . 4 1 1 A 92 92 SER N N 114 114.404 115.753 -1.349 1
1 795 . 4 1 1 A 93 93 ILE H H 115 8.456 8.662 -0.206 1
1 796 . 4 1 1 A 93 93 ILE HA H 115 4.412 5.077 -0.665 1
1 806 . 4 1 1 A 93 93 ILE CA C 115 60.573 60.380 0.193 1
1 807 . 4 1 1 A 93 93 ILE CB C 115 39.061 39.652 -0.591 1
1 811 . 4 1 1 A 93 93 ILE N N 115 124.873 124.352 0.521 1
1 812 . 4 1 1 A 94 94 HIS H H 116 8.994 9.351 -0.357 1
1 813 . 4 1 1 A 94 94 HIS HA H 116 5.309 5.315 -0.006 1
1 814 . 4 1 1 A 94 94 HIS CA C 116 53.919 54.080 -0.161 1
1 815 . 4 1 1 A 94 94 HIS CB C 116 27.883 32.340 -4.457 1
1 816 . 4 1 1 A 94 94 HIS N N 116 125.591 126.575 -0.984 1
1 817 . 4 1 1 A 95 95 SER H H 117 9.153 8.572 0.581 1
1 818 . 4 1 1 A 95 95 SER HA H 117 5.101 5.181 -0.080 1
1 820 . 4 1 1 A 95 95 SER CA C 117 57.114 56.826 0.288 1
1 821 . 4 1 1 A 95 95 SER CB C 117 64.430 64.528 -0.098 1
1 822 . 4 1 1 A 95 95 SER N N 117 117.598 119.270 -1.672 1
1 823 . 4 1 1 A 96 96 VAL H H 118 9.055 8.651 0.404 1
1 824 . 4 1 1 A 96 96 VAL HA H 118 5.009 5.243 -0.234 1
1 828 . 4 1 1 A 96 96 VAL CA C 118 61.453 59.660 1.793 1
1 829 . 4 1 1 A 96 96 VAL CB C 118 35.098 33.943 1.155 1
1 831 . 4 1 1 A 96 96 VAL N N 118 126.585 120.282 6.303 1
1 832 . 4 1 1 A 97 97 SER H H 119 9.032 9.036 -0.004 1
1 833 . 4 1 1 A 97 97 SER HA H 119 5.543 4.966 0.577 1
1 835 . 4 1 1 A 97 97 SER CA C 119 56.290 56.328 -0.038 1
1 836 . 4 1 1 A 97 97 SER CB C 119 65.799 65.156 0.643 1
1 837 . 4 1 1 A 97 97 SER N N 119 121.395 120.629 0.766 1
1 838 . 4 1 1 A 98 98 VAL H H 120 8.402 8.833 -0.431 1
1 839 . 4 1 1 A 98 98 VAL HA H 120 4.027 4.036 -0.009 1
1 847 . 4 1 1 A 98 98 VAL CA C 120 62.212 63.084 -0.872 1
1 848 . 4 1 1 A 98 98 VAL CB C 120 29.250 31.400 -2.150 1
1 851 . 4 1 1 A 98 98 VAL N N 120 124.771 126.897 -2.126 1
1 852 . 4 1 1 A 99 99 VAL H H 121 8.361 8.632 -0.271 1
1 853 . 4 1 1 A 99 99 VAL HA H 121 3.723 3.880 -0.157 1
1 858 . 4 1 1 A 99 99 VAL CA C 121 65.202 64.428 0.774 1
1 859 . 4 1 1 A 99 99 VAL CB C 121 32.718 32.360 0.358 1
1 861 . 4 1 1 A 99 99 VAL N N 121 128.844 128.532 0.312 1
1 862 . 4 1 1 A 100 100 GLU H H 122 7.188 7.660 -0.472 1
1 863 . 4 1 1 A 100 100 GLU HA H 122 4.726 4.735 -0.009 1
1 866 . 4 1 1 A 100 100 GLU CA C 122 54.951 56.053 -1.102 1
1 867 . 4 1 1 A 100 100 GLU CB C 122 34.111 33.288 0.823 1
1 868 . 4 1 1 A 100 100 GLU N N 122 113.832 116.678 -2.846 1
1 869 . 4 1 1 A 101 101 ALA H H 123 8.708 8.920 -0.212 1
1 870 . 4 1 1 A 101 101 ALA HA H 123 4.365 5.514 -1.149 1
1 874 . 4 1 1 A 101 101 ALA CA C 123 52.217 49.895 2.322 1
1 875 . 4 1 1 A 101 101 ALA CB C 123 21.568 22.872 -1.304 1
1 876 . 4 1 1 A 101 101 ALA N N 123 124.349 125.687 -1.338 1
1 877 . 4 1 1 A 105 105 GLU HA H 127 3.719 4.709 -0.990 1
1 878 . 4 1 1 A 105 105 GLU CA C 127 59.422 57.622 1.800 1
1 879 . 4 1 1 A 105 105 GLU CB C 127 35.689 32.592 3.097 1
1 880 . 4 1 1 A 106 106 TYR H H 128 9.359 8.052 1.307 1
1 881 . 4 1 1 A 106 106 TYR HA H 128 6.292 5.149 1.143 1
1 885 . 4 1 1 A 106 106 TYR CA C 128 58.184 56.907 1.277 1
1 886 . 4 1 1 A 106 106 TYR CB C 128 42.417 40.560 1.857 1
1 889 . 4 1 1 A 106 106 TYR N N 128 118.441 115.127 3.314 1
1 890 . 4 1 1 A 107 107 ALA H H 129 9.057 9.881 -0.824 1
1 891 . 4 1 1 A 107 107 ALA HA H 129 4.724 5.388 -0.664 1
1 895 . 4 1 1 A 107 107 ALA CA C 129 51.666 50.147 1.519 1
1 896 . 4 1 1 A 107 107 ALA CB C 129 22.720 22.327 0.393 1
1 897 . 4 1 1 A 107 107 ALA N N 129 120.309 123.250 -2.941 1
1 898 . 4 1 1 A 108 108 LEU H H 130 8.889 8.862 0.027 1
1 899 . 4 1 1 A 108 108 LEU HA H 130 5.191 5.242 -0.051 1
1 908 . 4 1 1 A 108 108 LEU CA C 130 53.730 54.053 -0.323 1
1 909 . 4 1 1 A 108 108 LEU CB C 130 43.792 43.116 0.676 1
1 912 . 4 1 1 A 108 108 LEU N N 130 122.798 122.613 0.185 1
1 913 . 4 1 1 A 109 109 LEU H H 131 9.168 9.544 -0.376 1
1 914 . 4 1 1 A 109 109 LEU HA H 131 5.410 5.333 0.077 1
1 924 . 4 1 1 A 109 109 LEU CA C 131 54.387 52.862 1.525 1
1 925 . 4 1 1 A 109 109 LEU CB C 131 45.159 46.643 -1.484 1
1 929 . 4 1 1 A 109 109 LEU N N 131 126.359 128.613 -2.254 1
1 930 . 4 1 1 A 110 110 PHE H H 132 9.150 8.883 0.267 1
1 931 . 4 1 1 A 110 110 PHE HA H 132 5.687 5.187 0.500 1
1 935 . 4 1 1 A 110 110 PHE CA C 132 56.501 56.446 0.055 1
1 936 . 4 1 1 A 110 110 PHE CB C 132 43.567 42.116 1.451 1
1 937 . 4 1 1 A 110 110 PHE N N 132 120.892 124.538 -3.646 1
1 938 . 4 1 1 A 111 111 SER H H 133 8.978 9.449 -0.471 1
1 939 . 4 1 1 A 111 111 SER HA H 133 5.702 5.457 0.245 1
1 941 . 4 1 1 A 111 111 SER CA C 133 55.789 56.672 -0.883 1
1 942 . 4 1 1 A 111 111 SER CB C 133 65.521 65.053 0.468 1
1 943 . 4 1 1 A 111 111 SER N N 133 125.184 118.503 6.681 1
1 944 . 4 1 1 A 112 112 ARG H H 134 8.581 8.751 -0.170 1
1 945 . 4 1 1 A 112 112 ARG HA H 134 5.151 5.127 0.024 1
1 950 . 4 1 1 A 112 112 ARG CA C 134 53.502 54.242 -0.740 1
1 951 . 4 1 1 A 112 112 ARG CB C 134 34.324 33.289 1.035 1
1 954 . 4 1 1 A 112 112 ARG N N 134 120.408 125.773 -5.365 1
1 955 . 4 1 1 A 113 113 GLY H H 135 8.195 9.124 -0.929 1
1 956 . 4 1 1 A 113 113 GLY HA2 H 135 4.108 4.188 -0.080 1
1 957 . 4 1 1 A 113 113 GLY HA3 H 135 4.342 4.364 -0.022 1
1 958 . 4 1 1 A 113 113 GLY CA C 135 45.735 44.774 0.961 1
1 959 . 4 1 1 A 113 113 GLY N N 135 108.687 109.528 -0.841 1
1 960 . 4 1 1 A 114 114 THR H H 136 8.437 8.753 -0.316 1
1 961 . 4 1 1 A 114 114 THR HA H 136 4.686 4.376 0.310 1
1 966 . 4 1 1 A 114 114 THR CA C 136 61.317 62.506 -1.189 1
1 967 . 4 1 1 A 114 114 THR CB C 136 70.640 69.735 0.905 1
1 969 . 4 1 1 A 114 114 THR N N 136 112.383 112.123 0.260 1
1 970 . 4 1 1 A 115 115 LYS H H 137 8.042 8.301 -0.259 1
1 971 . 4 1 1 A 115 115 LYS HA H 137 4.457 3.846 0.611 1
1 976 . 4 1 1 A 115 115 LYS CA C 137 56.861 57.318 -0.457 1
1 977 . 4 1 1 A 115 115 LYS CB C 137 34.523 31.572 2.951 1
1 981 . 4 1 1 A 115 115 LYS N N 137 121.031 120.795 0.236 1
1 982 . 4 1 1 A 116 116 GLY H H 138 8.574 8.407 0.167 1
1 983 . 4 1 1 A 116 116 GLY HA2 H 138 3.894 3.844 0.050 1
1 984 . 4 1 1 A 116 116 GLY HA3 H 138 4.566 3.854 0.712 1
1 985 . 4 1 1 A 116 116 GLY CA C 138 44.217 46.714 -2.497 1
1 986 . 4 1 1 A 116 116 GLY N N 138 112.843 105.455 7.388 1
1 987 . 4 1 1 A 117 117 PRO HA H 139 4.452 4.655 -0.203 1
1 992 . 4 1 1 A 117 117 PRO CA C 139 63.920 62.777 1.143 1
1 993 . 4 1 1 A 117 117 PRO CB C 139 31.786 29.865 1.921 1
1 996 . 4 1 1 A 118 118 GLY H H 140 8.835 8.311 0.524 1
1 997 . 4 1 1 A 118 118 GLY HA2 H 140 4.030 3.928 0.102 1
1 998 . 4 1 1 A 118 118 GLY HA3 H 140 4.187 3.936 0.251 1
1 999 . 4 1 1 A 118 118 GLY CA C 140 45.949 46.664 -0.715 1
1 1000 . 4 1 1 A 118 118 GLY N N 140 110.324 109.967 0.357 1
1 1001 . 4 1 1 A 119 119 GLN H H 141 8.062 8.391 -0.329 1
1 1002 . 4 1 1 A 119 119 GLN HA H 141 4.067 4.489 -0.422 1
1 1005 . 4 1 1 A 119 119 GLN CA C 141 57.874 55.551 2.323 1
1 1006 . 4 1 1 A 119 119 GLN CB C 141 28.638 28.920 -0.282 1
1 1008 . 4 1 1 A 119 119 GLN N N 141 119.674 118.166 1.508 1
1 1009 . 4 1 1 A 120 120 ASP H H 142 8.554 7.932 0.622 1
1 1010 . 4 1 1 A 120 120 ASP HA H 142 4.606 4.422 0.184 1
1 1012 . 4 1 1 A 120 120 ASP CA C 142 54.348 54.848 -0.500 1
1 1013 . 4 1 1 A 120 120 ASP CB C 142 40.529 38.403 2.126 1
1 1014 . 4 1 1 A 120 120 ASP N N 142 117.596 118.285 -0.689 1
1 1015 . 4 1 1 A 121 121 PHE H H 143 7.890 8.568 -0.678 1
1 1016 . 4 1 1 A 121 121 PHE HA H 143 4.477 4.790 -0.313 1
1 1021 . 4 1 1 A 121 121 PHE CA C 143 59.232 58.258 0.974 1
1 1022 . 4 1 1 A 121 121 PHE CB C 143 39.898 39.870 0.028 1
1 1025 . 4 1 1 A 121 121 PHE N N 143 122.226 124.155 -1.929 1
1 1026 . 4 1 1 A 122 122 ARG H H 144 7.956 8.277 -0.321 1
1 1027 . 4 1 1 A 122 122 ARG HA H 144 4.664 4.921 -0.257 1
1 1032 . 4 1 1 A 122 122 ARG CA C 144 54.337 54.300 0.037 1
1 1033 . 4 1 1 A 122 122 ARG CB C 144 34.705 33.027 1.678 1
1 1036 . 4 1 1 A 122 122 ARG N N 144 126.876 127.229 -0.353 1
1 1037 . 4 1 1 A 123 123 MET H H 145 8.444 8.791 -0.347 1
1 1038 . 4 1 1 A 123 123 MET HA H 145 5.157 4.880 0.277 1
1 1042 . 4 1 1 A 123 123 MET CA C 145 54.904 53.816 1.088 1
1 1043 . 4 1 1 A 123 123 MET CB C 145 37.618 35.612 2.006 1
1 1045 . 4 1 1 A 123 123 MET N N 145 121.767 125.107 -3.340 1
1 1046 . 4 1 1 A 124 124 ALA H H 146 9.809 8.546 1.263 1
1 1047 . 4 1 1 A 124 124 ALA HA H 146 5.801 4.669 1.132 1
1 1051 . 4 1 1 A 124 124 ALA CA C 146 50.289 50.219 0.070 1
1 1052 . 4 1 1 A 124 124 ALA CB C 146 22.630 21.486 1.144 1
1 1053 . 4 1 1 A 124 124 ALA N N 146 132.634 126.599 6.035 1
1 1054 . 4 1 1 A 125 125 THR H H 147 9.169 9.316 -0.147 1
1 1055 . 4 1 1 A 125 125 THR HA H 147 4.974 4.918 0.056 1
1 1060 . 4 1 1 A 125 125 THR CA C 147 62.270 61.200 1.070 1
1 1061 . 4 1 1 A 125 125 THR CB C 147 71.431 72.045 -0.614 1
1 1063 . 4 1 1 A 125 125 THR N N 147 118.001 116.367 1.634 1
1 1064 . 4 1 1 A 126 126 LEU H H 148 8.287 8.557 -0.270 1
1 1065 . 4 1 1 A 126 126 LEU HA H 148 4.994 5.036 -0.042 1
1 1072 . 4 1 1 A 126 126 LEU CA C 148 52.917 53.603 -0.686 1
1 1073 . 4 1 1 A 126 126 LEU CB C 148 42.487 43.270 -0.783 1
1 1076 . 4 1 1 A 126 126 LEU N N 148 128.462 127.280 1.182 1
1 1077 . 4 1 1 A 127 127 TYR H H 149 9.352 8.570 0.782 1
1 1078 . 4 1 1 A 127 127 TYR HA H 149 5.745 4.813 0.932 1
1 1082 . 4 1 1 A 127 127 TYR CA C 149 55.277 58.841 -3.564 1
1 1083 . 4 1 1 A 127 127 TYR CB C 149 40.105 39.326 0.779 1
1 1085 . 4 1 1 A 127 127 TYR N N 149 127.854 127.117 0.737 1
1 1086 . 4 1 1 A 128 128 SER H H 150 9.808 8.473 1.335 1
1 1087 . 4 1 1 A 128 128 SER HA H 150 6.032 5.088 0.944 1
1 1090 . 4 1 1 A 128 128 SER CA C 150 55.349 57.890 -2.541 1
1 1091 . 4 1 1 A 128 128 SER CB C 150 66.028 64.557 1.471 1
1 1092 . 4 1 1 A 128 128 SER N N 150 113.673 119.941 -6.268 1
1 1093 . 4 1 1 A 129 129 ARG H H 151 8.667 9.035 -0.368 1
1 1094 . 4 1 1 A 129 129 ARG HA H 151 4.184 4.307 -0.123 1
1 1096 . 4 1 1 A 129 129 ARG CA C 151 56.959 58.945 -1.986 1
1 1097 . 4 1 1 A 129 129 ARG CB C 151 31.553 30.402 1.151 1
1 1098 . 4 1 1 A 129 129 ARG N N 151 126.102 127.187 -1.085 1
1 1099 . 4 1 1 A 130 130 THR H H 152 8.244 7.735 0.509 1
1 1100 . 4 1 1 A 130 130 THR HA H 152 4.879 4.867 0.012 1
1 1105 . 4 1 1 A 130 130 THR CA C 152 59.501 59.356 0.145 1
1 1106 . 4 1 1 A 130 130 THR CB C 152 71.244 72.295 -1.051 1
1 1108 . 4 1 1 A 130 130 THR N N 152 108.224 109.701 -1.477 1
1 1109 . 4 1 1 A 131 131 GLN H H 153 8.765 8.337 0.428 1
1 1110 . 4 1 1 A 131 131 GLN HA H 153 3.664 3.637 0.027 1
1 1117 . 4 1 1 A 131 131 GLN CA C 153 57.614 58.274 -0.660 1
1 1118 . 4 1 1 A 131 131 GLN CB C 153 28.738 27.862 0.876 1
1 1120 . 4 1 1 A 131 131 GLN N N 153 119.385 121.329 -1.944 1
1 1122 . 4 1 1 A 132 132 THR H H 154 7.242 7.462 -0.220 1
1 1123 . 4 1 1 A 132 132 THR HA H 154 4.309 4.433 -0.124 1
1 1128 . 4 1 1 A 132 132 THR CA C 154 60.406 60.567 -0.161 1
1 1129 . 4 1 1 A 132 132 THR CB C 154 70.006 68.652 1.354 1
1 1131 . 4 1 1 A 132 132 THR N N 154 108.689 116.248 -7.559 1
1 1132 . 4 1 1 A 133 133 LEU H H 155 8.608 8.959 -0.351 1
1 1133 . 4 1 1 A 133 133 LEU HA H 155 4.631 5.270 -0.639 1
1 1143 . 4 1 1 A 133 133 LEU CA C 155 53.415 53.194 0.221 1
1 1144 . 4 1 1 A 133 133 LEU CB C 155 44.570 44.559 0.011 1
1 1148 . 4 1 1 A 133 133 LEU N N 155 124.560 123.921 0.639 1
1 1149 . 4 1 1 A 134 134 LYS H H 156 8.157 8.729 -0.572 1
1 1150 . 4 1 1 A 134 134 LYS HA H 156 4.374 4.683 -0.309 1
1 1156 . 4 1 1 A 134 134 LYS CA C 156 56.031 54.912 1.119 1
1 1157 . 4 1 1 A 134 134 LYS CB C 156 33.505 34.583 -1.078 1
1 1161 . 4 1 1 A 134 134 LYS N N 156 123.852 124.718 -0.866 1
1 1162 . 4 1 1 A 135 135 ASP H H 157 8.974 8.724 0.250 1
1 1163 . 4 1 1 A 135 135 ASP HA H 157 4.143 3.658 0.485 1
1 1165 . 4 1 1 A 135 135 ASP CA C 157 58.252 56.383 1.869 1
1 1166 . 4 1 1 A 135 135 ASP CB C 157 39.857 40.134 -0.277 1
1 1167 . 4 1 1 A 135 135 ASP N N 157 124.197 125.343 -1.146 1
1 1168 . 4 1 1 A 136 136 GLU H H 158 9.287 7.919 1.368 1
1 1169 . 4 1 1 A 136 136 GLU HA H 158 4.141 4.064 0.077 1
1 1173 . 4 1 1 A 136 136 GLU CA C 158 59.348 58.815 0.533 1
1 1174 . 4 1 1 A 136 136 GLU CB C 158 28.638 29.419 -0.781 1
1 1176 . 4 1 1 A 136 136 GLU N N 158 117.885 119.690 -1.805 1
1 1177 . 4 1 1 A 137 137 LEU H H 159 7.246 8.318 -1.072 1
1 1178 . 4 1 1 A 137 137 LEU HA H 159 4.053 3.967 0.086 1
1 1187 . 4 1 1 A 137 137 LEU CA C 159 56.663 57.336 -0.673 1
1 1188 . 4 1 1 A 137 137 LEU CB C 159 41.666 41.102 0.564 1
1 1192 . 4 1 1 A 137 137 LEU N N 159 119.393 120.148 -0.755 1
1 1193 . 4 1 1 A 138 138 LYS H H 160 7.383 9.024 -1.641 1
1 1194 . 4 1 1 A 138 138 LYS HA H 160 3.997 3.849 0.148 1
1 1200 . 4 1 1 A 138 138 LYS CA C 160 60.416 58.995 1.421 1
1 1201 . 4 1 1 A 138 138 LYS CB C 160 31.478 31.650 -0.172 1
1 1205 . 4 1 1 A 138 138 LYS N N 160 119.612 121.632 -2.020 1
1 1206 . 4 1 1 A 139 139 GLU H H 161 7.978 8.348 -0.370 1
1 1207 . 4 1 1 A 139 139 GLU HA H 161 4.176 3.983 0.193 1
1 1211 . 4 1 1 A 139 139 GLU CA C 161 59.139 59.417 -0.278 1
1 1212 . 4 1 1 A 139 139 GLU CB C 161 28.417 29.209 -0.792 1
1 1214 . 4 1 1 A 139 139 GLU N N 161 119.510 119.438 0.072 1
1 1215 . 4 1 1 A 140 140 LYS H H 162 7.860 7.453 0.407 1
1 1216 . 4 1 1 A 140 140 LYS HA H 162 4.089 4.102 -0.013 1
1 1225 . 4 1 1 A 140 140 LYS CA C 162 59.541 58.715 0.826 1
1 1226 . 4 1 1 A 140 140 LYS CB C 162 32.078 32.119 -0.041 1
1 1230 . 4 1 1 A 140 140 LYS N N 162 120.614 119.572 1.042 1
1 1231 . 4 1 1 A 141 141 PHE H H 163 8.548 8.050 0.498 1
1 1232 . 4 1 1 A 141 141 PHE HA H 163 4.444 4.337 0.107 1
1 1235 . 4 1 1 A 141 141 PHE CA C 163 61.551 60.748 0.803 1
1 1236 . 4 1 1 A 141 141 PHE CB C 163 39.975 39.310 0.665 1
1 1237 . 4 1 1 A 141 141 PHE N N 163 119.075 121.898 -2.823 1
1 1238 . 4 1 1 A 142 142 THR H H 164 8.791 7.901 0.890 1
1 1239 . 4 1 1 A 142 142 THR HA H 164 3.721 4.060 -0.339 1
1 1244 . 4 1 1 A 142 142 THR CA C 164 67.495 65.758 1.737 1
1 1245 . 4 1 1 A 142 142 THR CB C 164 68.330 68.284 0.046 1
1 1247 . 4 1 1 A 142 142 THR N N 164 120.224 113.081 7.143 1
1 1248 . 4 1 1 A 143 143 THR H H 165 8.536 8.434 0.102 1
1 1249 . 4 1 1 A 143 143 THR HA H 165 3.764 3.897 -0.133 1
1 1254 . 4 1 1 A 143 143 THR CA C 165 66.989 66.822 0.167 1
1 1255 . 4 1 1 A 143 143 THR CB C 165 68.641 68.463 0.178 1
1 1257 . 4 1 1 A 143 143 THR N N 165 118.456 117.200 1.256 1
1 1258 . 4 1 1 A 144 144 PHE H H 166 8.264 7.969 0.295 1
1 1259 . 4 1 1 A 144 144 PHE HA H 166 4.207 4.061 0.146 1
1 1264 . 4 1 1 A 144 144 PHE CA C 166 61.233 61.860 -0.627 1
1 1265 . 4 1 1 A 144 144 PHE CB C 166 39.772 38.967 0.805 1
1 1266 . 4 1 1 A 144 144 PHE N N 166 122.676 121.974 0.702 1
1 1267 . 4 1 1 A 145 145 SER H H 167 8.077 7.797 0.280 1
1 1268 . 4 1 1 A 145 145 SER HA H 167 3.283 3.819 -0.536 1
1 1270 . 4 1 1 A 145 145 SER CA C 167 64.031 61.934 2.097 1
1 1271 . 4 1 1 A 145 145 SER CB C 167 62.339 62.566 -0.227 1
1 1272 . 4 1 1 A 145 145 SER N N 167 115.714 115.928 -0.214 1
1 1273 . 4 1 1 A 146 146 LYS H H 168 8.000 8.212 -0.212 1
1 1274 . 4 1 1 A 146 146 LYS HA H 168 4.434 4.123 0.311 1
1 1278 . 4 1 1 A 146 146 LYS CA C 168 58.915 58.908 0.007 1
1 1279 . 4 1 1 A 146 146 LYS CB C 168 32.022 31.848 0.174 1
1 1283 . 4 1 1 A 146 146 LYS N N 168 121.529 119.217 2.312 1
1 1284 . 4 1 1 A 147 147 ALA H H 169 7.726 7.667 0.059 1
1 1285 . 4 1 1 A 147 147 ALA HA H 169 4.079 4.069 0.010 1
1 1289 . 4 1 1 A 147 147 ALA CA C 169 54.255 54.674 -0.419 1
1 1290 . 4 1 1 A 147 147 ALA CB C 169 17.264 18.177 -0.913 1
1 1291 . 4 1 1 A 147 147 ALA N N 169 123.249 121.417 1.832 1
1 1292 . 4 1 1 A 148 148 GLN H H 170 7.058 7.383 -0.325 1
1 1293 . 4 1 1 A 148 148 GLN HA H 170 4.139 4.317 -0.178 1
1 1299 . 4 1 1 A 148 148 GLN CA C 170 53.091 56.148 -3.057 1
1 1300 . 4 1 1 A 148 148 GLN CB C 170 26.931 29.108 -2.177 1
1 1302 . 4 1 1 A 148 148 GLN N N 170 113.952 116.376 -2.424 1
1 1304 . 4 1 1 A 149 149 GLY H H 171 7.651 7.894 -0.243 1
1 1305 . 4 1 1 A 149 149 GLY HA2 H 171 3.650 3.969 -0.319 1
1 1306 . 4 1 1 A 149 149 GLY HA3 H 171 4.076 3.971 0.105 1
1 1307 . 4 1 1 A 149 149 GLY CA C 171 45.335 45.954 -0.619 1
1 1308 . 4 1 1 A 149 149 GLY N N 171 106.210 107.603 -1.393 1
1 1309 . 4 1 1 A 150 150 LEU H H 172 7.395 7.414 -0.019 1
1 1310 . 4 1 1 A 150 150 LEU HA H 172 4.543 4.787 -0.244 1
1 1319 . 4 1 1 A 150 150 LEU CA C 172 53.499 53.053 0.446 1
1 1320 . 4 1 1 A 150 150 LEU CB C 172 40.838 45.034 -4.196 1
1 1324 . 4 1 1 A 150 150 LEU N N 172 120.964 120.550 0.414 1
1 1325 . 4 1 1 A 151 151 THR H H 173 8.270 8.726 -0.456 1
1 1326 . 4 1 1 A 151 151 THR HA H 173 4.515 4.691 -0.176 1
1 1331 . 4 1 1 A 151 151 THR CA C 173 60.236 61.225 -0.989 1
1 1332 . 4 1 1 A 151 151 THR CB C 173 71.307 70.423 0.884 1
1 1334 . 4 1 1 A 151 151 THR N N 173 110.762 116.365 -5.603 1
1 1335 . 4 1 1 A 152 152 GLU H H 174 9.041 9.125 -0.084 1
1 1336 . 4 1 1 A 152 152 GLU HA H 174 3.908 4.026 -0.118 1
1 1340 . 4 1 1 A 152 152 GLU CA C 174 60.190 60.008 0.182 1
1 1341 . 4 1 1 A 152 152 GLU CB C 174 28.823 29.309 -0.486 1
1 1343 . 4 1 1 A 152 152 GLU N N 174 118.629 124.327 -5.698 1
1 1344 . 4 1 1 A 153 153 GLU H H 175 8.200 8.669 -0.469 1
1 1345 . 4 1 1 A 153 153 GLU HA H 175 4.222 4.110 0.112 1
1 1349 . 4 1 1 A 153 153 GLU CA C 175 58.093 58.653 -0.560 1
1 1350 . 4 1 1 A 153 153 GLU CB C 175 28.697 28.286 0.411 1
1 1352 . 4 1 1 A 153 153 GLU N N 175 115.885 117.809 -1.924 1
1 1353 . 4 1 1 A 154 154 ASP H H 176 7.833 7.832 0.001 1
1 1354 . 4 1 1 A 154 154 ASP HA H 176 4.873 4.986 -0.113 1
1 1357 . 4 1 1 A 154 154 ASP CA C 176 53.936 55.631 -1.695 1
1 1358 . 4 1 1 A 154 154 ASP CB C 176 41.470 41.533 -0.063 1
1 1359 . 4 1 1 A 154 154 ASP N N 176 118.196 118.238 -0.042 1
1 1360 . 4 1 1 A 155 155 ILE H H 177 7.007 7.618 -0.611 1
1 1361 . 4 1 1 A 155 155 ILE HA H 177 4.367 4.415 -0.048 1
1 1369 . 4 1 1 A 155 155 ILE CA C 177 61.493 60.964 0.529 1
1 1370 . 4 1 1 A 155 155 ILE CB C 177 40.374 39.305 1.069 1
1 1374 . 4 1 1 A 155 155 ILE N N 177 117.852 119.059 -1.207 1
1 1375 . 4 1 1 A 156 156 VAL H H 178 9.203 9.227 -0.024 1
1 1376 . 4 1 1 A 156 156 VAL HA H 178 4.544 4.758 -0.214 1
1 1381 . 4 1 1 A 156 156 VAL CA C 178 60.448 60.918 -0.470 1
1 1382 . 4 1 1 A 156 156 VAL CB C 178 36.233 35.562 0.671 1
1 1384 . 4 1 1 A 156 156 VAL N N 178 126.166 125.452 0.714 1
1 1385 . 4 1 1 A 157 157 PHE H H 179 8.718 9.073 -0.355 1
1 1386 . 4 1 1 A 157 157 PHE HA H 179 5.010 4.927 0.083 1
1 1391 . 4 1 1 A 157 157 PHE CA C 179 58.363 56.404 1.959 1
1 1392 . 4 1 1 A 157 157 PHE CB C 179 38.344 40.452 -2.108 1
1 1394 . 4 1 1 A 157 157 PHE N N 179 124.905 128.229 -3.324 1
1 1395 . 4 1 1 A 158 158 LEU H H 180 7.459 8.532 -1.073 1
1 1396 . 4 1 1 A 158 158 LEU HA H 180 4.402 4.088 0.314 1
1 1397 . 4 1 1 A 158 158 LEU CA C 180 53.074 52.114 0.960 1
1 1398 . 4 1 1 A 158 158 LEU CB C 180 41.738 42.826 -1.088 1
1 1399 . 4 1 1 A 158 158 LEU N N 180 125.466 129.114 -3.648 1
1 1400 . 4 1 1 A 159 159 PRO HA H 181 4.771 4.283 0.488 1
1 1401 . 4 1 1 A 159 159 PRO CA C 181 61.916 62.148 -0.232 1
1 1402 . 4 1 1 A 159 159 PRO CB C 181 32.363 32.145 0.218 1
1 1405 . 4 1 1 A 161 161 PRO HA H 183 4.666 4.607 0.059 1
1 1409 . 4 1 1 A 161 161 PRO CA C 183 62.292 62.718 -0.426 1
1 1410 . 4 1 1 A 161 161 PRO CB C 183 33.337 33.373 -0.036 1
1 1412 . 4 1 1 A 162 162 ASP H H 184 8.449 8.903 -0.454 1
1 1413 . 4 1 1 A 162 162 ASP HA H 184 4.467 4.773 -0.306 1
1 1416 . 4 1 1 A 162 162 ASP CA C 184 54.064 55.425 -1.361 1
1 1417 . 4 1 1 A 162 162 ASP CB C 184 39.919 42.058 -2.139 1
1 1418 . 4 1 1 A 162 162 ASP N N 184 117.032 120.614 -3.582 1
1 1419 . 4 1 1 A 163 163 LYS H H 185 7.195 7.675 -0.480 1
1 1420 . 4 1 1 A 163 163 LYS HA H 185 4.588 4.557 0.031 1
1 1426 . 4 1 1 A 163 163 LYS CA C 185 55.499 55.825 -0.326 1
1 1427 . 4 1 1 A 163 163 LYS CB C 185 35.558 36.029 -0.471 1
1 1431 . 4 1 1 A 163 163 LYS N N 185 115.300 117.031 -1.731 1
1 1432 . 4 1 1 A 164 164 CYS H H 186 8.427 8.635 -0.208 1
1 1433 . 4 1 1 A 164 164 CYS HA H 186 4.313 4.710 -0.397 1
1 1436 . 4 1 1 A 164 164 CYS CA C 186 57.607 56.150 1.457 1
1 1437 . 4 1 1 A 164 164 CYS CB C 186 35.042 42.540 -7.498 1
1 1438 . 4 1 1 A 164 164 CYS N N 186 107.133 121.730 -14.597 1
1 1439 . 4 1 1 A 165 165 ILE H H 187 7.881 7.435 0.446 1
1 1440 . 4 1 1 A 165 165 ILE HA H 187 4.549 4.492 0.057 1
1 1450 . 4 1 1 A 165 165 ILE CA C 187 61.529 61.284 0.245 1
1 1451 . 4 1 1 A 165 165 ILE CB C 187 39.748 39.307 0.441 1
1 1455 . 4 1 1 A 165 165 ILE N N 187 113.570 113.567 0.003 1
1 1456 . 4 1 1 A 166 166 GLN H H 188 8.308 7.455 0.853 1
1 1457 . 4 1 1 A 166 166 GLN HA H 188 4.303 4.344 -0.041 1
1 1462 . 4 1 1 A 166 166 GLN CA C 188 56.928 55.743 1.185 1
1 1463 . 4 1 1 A 166 166 GLN CB C 188 28.637 29.463 -0.826 1
1 1465 . 4 1 1 A 166 166 GLN N N 188 122.915 123.382 -0.467 1
1 3 . 5 1 1 A 2 2 SER H H 24 8.695 8.591 0.104 1
1 4 . 5 1 1 A 2 2 SER HA H 24 4.531 4.704 -0.173 1
1 6 . 5 1 1 A 2 2 SER CA C 24 58.296 57.102 1.194 1
1 7 . 5 1 1 A 2 2 SER CB C 24 63.897 63.883 0.014 1
1 8 . 5 1 1 A 2 2 SER N N 24 115.751 115.602 0.149 1
1 9 . 5 1 1 A 3 3 GLN H H 25 8.618 8.188 0.430 1
1 10 . 5 1 1 A 3 3 GLN HA H 25 4.367 3.978 0.389 1
1 14 . 5 1 1 A 3 3 GLN CA C 25 56.059 56.535 -0.476 1
1 15 . 5 1 1 A 3 3 GLN CB C 25 29.248 27.785 1.463 1
1 17 . 5 1 1 A 3 3 GLN N N 25 122.346 121.100 1.246 1
1 18 . 5 1 1 A 4 4 GLY H H 26 8.431 8.394 0.037 1
1 19 . 5 1 1 A 4 4 GLY HA2 H 26 3.904 4.196 -0.292 1
1 20 . 5 1 1 A 4 4 GLY CA C 26 45.171 45.441 -0.270 1
1 21 . 5 1 1 A 4 4 GLY N N 26 109.885 111.736 -1.851 1
1 22 . 5 1 1 A 5 5 HIS H H 27 8.342 8.839 -0.497 1
1 23 . 5 1 1 A 5 5 HIS HA H 27 4.750 4.795 -0.045 1
1 27 . 5 1 1 A 5 5 HIS CA C 27 54.946 57.198 -2.252 1
1 28 . 5 1 1 A 5 5 HIS CB C 27 29.344 31.943 -2.599 1
1 30 . 5 1 1 A 5 5 HIS N N 27 117.765 121.500 -3.735 1
1 31 . 5 1 1 A 6 6 ASP H H 28 8.518 7.792 0.726 1
1 32 . 5 1 1 A 6 6 ASP HA H 28 4.735 4.824 -0.089 1
1 35 . 5 1 1 A 6 6 ASP CA C 28 54.282 53.824 0.458 1
1 36 . 5 1 1 A 6 6 ASP CB C 28 41.098 44.529 -3.431 1
1 37 . 5 1 1 A 6 6 ASP N N 28 121.910 115.235 6.675 1
1 38 . 5 1 1 A 7 7 THR H H 29 8.250 8.618 -0.368 1
1 39 . 5 1 1 A 7 7 THR HA H 29 4.343 4.162 0.181 1
1 44 . 5 1 1 A 7 7 THR CA C 29 62.124 65.314 -3.190 1
1 45 . 5 1 1 A 7 7 THR CB C 29 69.861 68.919 0.942 1
1 47 . 5 1 1 A 7 7 THR N N 29 116.925 115.815 1.110 1
1 48 . 5 1 1 A 8 8 VAL H H 30 7.798 7.917 -0.119 1
1 49 . 5 1 1 A 8 8 VAL HA H 30 4.369 4.833 -0.464 1
1 54 . 5 1 1 A 8 8 VAL CA C 30 60.171 60.493 -0.322 1
1 55 . 5 1 1 A 8 8 VAL CB C 30 34.758 35.891 -1.133 1
1 57 . 5 1 1 A 8 8 VAL N N 30 119.837 119.046 0.791 1
1 58 . 5 1 1 A 9 9 GLN H H 31 8.472 8.546 -0.074 1
1 59 . 5 1 1 A 9 9 GLN HA H 31 4.383 4.896 -0.513 1
1 63 . 5 1 1 A 9 9 GLN CA C 31 53.204 52.002 1.202 1
1 64 . 5 1 1 A 9 9 GLN CB C 31 29.785 30.279 -0.494 1
1 66 . 5 1 1 A 9 9 GLN N N 31 127.192 125.483 1.709 1
1 68 . 5 1 1 A 10 10 PRO HA H 32 4.426 4.944 -0.518 1
1 73 . 5 1 1 A 10 10 PRO CA C 32 63.431 62.445 0.986 1
1 74 . 5 1 1 A 10 10 PRO CB C 32 32.297 31.803 0.494 1
1 77 . 5 1 1 A 11 11 ASN H H 33 8.972 8.997 -0.025 1
1 78 . 5 1 1 A 11 11 ASN HA H 33 4.539 5.057 -0.518 1
1 83 . 5 1 1 A 11 11 ASN CA C 33 53.563 53.254 0.309 1
1 84 . 5 1 1 A 11 11 ASN CB C 33 37.923 39.553 -1.630 1
1 85 . 5 1 1 A 11 11 ASN N N 33 119.013 120.504 -1.491 1
1 87 . 5 1 1 A 12 12 PHE H H 34 7.996 8.545 -0.549 1
1 88 . 5 1 1 A 12 12 PHE HA H 34 4.186 5.622 -1.436 1
1 91 . 5 1 1 A 12 12 PHE CA C 34 59.402 55.718 3.684 1
1 92 . 5 1 1 A 12 12 PHE CB C 34 39.516 40.845 -1.329 1
1 93 . 5 1 1 A 12 12 PHE N N 34 119.073 123.265 -4.192 1
1 94 . 5 1 1 A 13 13 GLN H H 35 7.402 8.916 -1.514 1
1 95 . 5 1 1 A 13 13 GLN HA H 35 4.303 4.725 -0.422 1
1 101 . 5 1 1 A 13 13 GLN CA C 35 53.093 54.311 -1.218 1
1 102 . 5 1 1 A 13 13 GLN CB C 35 29.598 31.088 -1.490 1
1 104 . 5 1 1 A 13 13 GLN N N 35 128.226 121.583 6.643 1
1 106 . 5 1 1 A 14 14 GLN H H 36 8.736 8.903 -0.167 1
1 107 . 5 1 1 A 14 14 GLN HA H 36 3.503 4.034 -0.531 1
1 110 . 5 1 1 A 14 14 GLN CA C 36 60.089 58.559 1.530 1
1 111 . 5 1 1 A 14 14 GLN CB C 36 29.596 27.864 1.732 1
1 113 . 5 1 1 A 14 14 GLN N N 36 124.702 122.378 2.324 1
1 114 . 5 1 1 A 15 15 ASP H H 37 8.628 8.424 0.204 1
1 115 . 5 1 1 A 15 15 ASP HA H 37 4.229 4.374 -0.145 1
1 118 . 5 1 1 A 15 15 ASP CA C 37 56.326 57.431 -1.105 1
1 119 . 5 1 1 A 15 15 ASP CB C 37 39.182 41.257 -2.075 1
1 120 . 5 1 1 A 15 15 ASP N N 37 114.027 120.480 -6.453 1
1 121 . 5 1 1 A 16 16 LYS H H 38 6.859 8.082 -1.223 1
1 122 . 5 1 1 A 16 16 LYS HA H 38 4.060 4.327 -0.267 1
1 124 . 5 1 1 A 16 16 LYS CA C 38 56.445 59.139 -2.694 1
1 125 . 5 1 1 A 16 16 LYS CB C 38 31.077 32.040 -0.963 1
1 129 . 5 1 1 A 16 16 LYS N N 38 116.638 119.518 -2.880 1
1 130 . 5 1 1 A 17 17 PHE H H 39 7.454 7.837 -0.383 1
1 131 . 5 1 1 A 17 17 PHE HA H 39 4.822 4.320 0.502 1
1 135 . 5 1 1 A 17 17 PHE CA C 39 57.301 60.016 -2.715 1
1 136 . 5 1 1 A 17 17 PHE CB C 39 42.087 39.228 2.859 1
1 137 . 5 1 1 A 17 17 PHE N N 39 119.221 116.468 2.753 1
1 138 . 5 1 1 A 18 18 LEU H H 40 6.674 7.504 -0.830 1
1 139 . 5 1 1 A 18 18 LEU HA H 40 3.911 5.407 -1.496 1
1 149 . 5 1 1 A 18 18 LEU CA C 40 54.860 53.376 1.484 1
1 150 . 5 1 1 A 18 18 LEU CB C 40 42.421 45.213 -2.792 1
1 154 . 5 1 1 A 18 18 LEU N N 40 112.003 115.063 -3.060 1
1 155 . 5 1 1 A 19 19 GLY H H 41 8.876 7.962 0.914 1
1 156 . 5 1 1 A 19 19 GLY HA2 H 41 3.718 3.992 -0.274 1
1 157 . 5 1 1 A 19 19 GLY HA3 H 41 4.341 4.023 0.318 1
1 158 . 5 1 1 A 19 19 GLY CA C 41 44.093 45.762 -1.669 1
1 159 . 5 1 1 A 19 19 GLY N N 41 107.870 107.616 0.254 1
1 160 . 5 1 1 A 20 20 ARG H H 42 8.678 8.032 0.646 1
1 161 . 5 1 1 A 20 20 ARG HA H 42 4.495 4.470 0.025 1
1 163 . 5 1 1 A 20 20 ARG CA C 42 56.924 55.526 1.398 1
1 164 . 5 1 1 A 20 20 ARG CB C 42 30.828 30.989 -0.161 1
1 165 . 5 1 1 A 20 20 ARG N N 42 121.873 119.451 2.422 1
1 166 . 5 1 1 A 21 21 TRP H H 43 9.320 9.023 0.297 1
1 167 . 5 1 1 A 21 21 TRP HA H 43 4.685 5.282 -0.597 1
1 171 . 5 1 1 A 21 21 TRP CA C 43 55.343 55.774 -0.431 1
1 172 . 5 1 1 A 21 21 TRP CB C 43 34.550 34.221 0.329 1
1 174 . 5 1 1 A 21 21 TRP N N 43 130.676 124.037 6.639 1
1 176 . 5 1 1 A 22 22 TYR H H 44 9.661 9.399 0.262 1
1 177 . 5 1 1 A 22 22 TYR HA H 44 5.607 5.064 0.543 1
1 182 . 5 1 1 A 22 22 TYR CA C 44 56.782 56.544 0.238 1
1 183 . 5 1 1 A 22 22 TYR CB C 44 39.975 41.584 -1.609 1
1 186 . 5 1 1 A 22 22 TYR N N 44 117.926 120.380 -2.454 1
1 187 . 5 1 1 A 23 23 SER H H 45 9.249 8.485 0.764 1
1 188 . 5 1 1 A 23 23 SER HA H 45 4.705 3.549 1.156 1
1 191 . 5 1 1 A 23 23 SER CA C 45 57.060 58.524 -1.464 1
1 192 . 5 1 1 A 23 23 SER CB C 45 62.668 63.073 -0.405 1
1 193 . 5 1 1 A 23 23 SER N N 45 119.038 118.639 0.399 1
1 194 . 5 1 1 A 24 24 ALA H H 46 8.724 7.537 1.187 1
1 195 . 5 1 1 A 24 24 ALA HA H 46 4.877 4.603 0.274 1
1 199 . 5 1 1 A 24 24 ALA CA C 46 51.953 50.825 1.128 1
1 200 . 5 1 1 A 24 24 ALA CB C 46 22.855 22.162 0.693 1
1 201 . 5 1 1 A 24 24 ALA N N 46 126.183 126.010 0.173 1
1 202 . 5 1 1 A 25 25 GLY H H 47 7.820 8.511 -0.691 1
1 203 . 5 1 1 A 25 25 GLY HA2 H 47 2.841 2.869 -0.028 1
1 204 . 5 1 1 A 25 25 GLY HA3 H 47 4.943 3.035 1.908 1
1 205 . 5 1 1 A 25 25 GLY CA C 47 45.285 45.768 -0.483 1
1 206 . 5 1 1 A 25 25 GLY N N 47 107.738 107.373 0.365 1
1 207 . 5 1 1 A 26 26 LEU H H 48 9.082 7.686 1.396 1
1 208 . 5 1 1 A 26 26 LEU HA H 48 5.454 5.244 0.210 1
1 217 . 5 1 1 A 26 26 LEU CA C 48 54.277 53.705 0.572 1
1 218 . 5 1 1 A 26 26 LEU CB C 48 49.097 45.956 3.141 1
1 222 . 5 1 1 A 26 26 LEU N N 48 125.132 126.029 -0.897 1
1 223 . 5 1 1 A 27 27 ALA H H 49 8.854 8.464 0.390 1
1 224 . 5 1 1 A 27 27 ALA HA H 49 5.571 5.127 0.444 1
1 228 . 5 1 1 A 27 27 ALA CA C 49 50.788 51.194 -0.406 1
1 229 . 5 1 1 A 27 27 ALA CB C 49 24.289 22.454 1.835 1
1 230 . 5 1 1 A 27 27 ALA N N 49 123.650 128.019 -4.369 1
1 231 . 5 1 1 A 28 28 SER H H 50 7.321 8.190 -0.869 1
1 232 . 5 1 1 A 28 28 SER HA H 50 4.625 4.879 -0.254 1
1 235 . 5 1 1 A 28 28 SER CA C 50 56.119 56.669 -0.550 1
1 236 . 5 1 1 A 28 28 SER CB C 50 64.886 66.431 -1.545 1
1 237 . 5 1 1 A 28 28 SER N N 50 113.858 116.113 -2.255 1
1 238 . 5 1 1 A 29 29 ASN H H 51 7.743 8.189 -0.446 1
1 239 . 5 1 1 A 29 29 ASN HA H 51 4.809 4.911 -0.102 1
1 244 . 5 1 1 A 29 29 ASN CA C 51 51.651 55.601 -3.950 1
1 245 . 5 1 1 A 29 29 ASN CB C 51 37.860 38.795 -0.935 1
1 246 . 5 1 1 A 29 29 ASN N N 51 120.399 122.794 -2.395 1
1 248 . 5 1 1 A 30 30 SER H H 52 8.156 8.209 -0.053 1
1 249 . 5 1 1 A 30 30 SER HA H 52 4.460 4.596 -0.136 1
1 252 . 5 1 1 A 30 30 SER CA C 52 58.432 58.941 -0.509 1
1 253 . 5 1 1 A 30 30 SER CB C 52 64.745 64.929 -0.184 1
1 254 . 5 1 1 A 30 30 SER N N 52 116.012 115.300 0.712 1
1 255 . 5 1 1 A 31 31 SER H H 53 9.142 8.815 0.327 1
1 256 . 5 1 1 A 31 31 SER HA H 53 4.003 4.687 -0.684 1
1 258 . 5 1 1 A 31 31 SER N N 53 120.999 118.543 2.456 1
1 259 . 5 1 1 A 32 32 TRP H H 54 8.030 8.069 -0.039 1
1 260 . 5 1 1 A 32 32 TRP HA H 54 4.329 4.298 0.031 1
1 265 . 5 1 1 A 32 32 TRP CA C 54 60.082 61.449 -1.367 1
1 266 . 5 1 1 A 32 32 TRP CB C 54 28.641 29.571 -0.930 1
1 268 . 5 1 1 A 32 32 TRP N N 54 121.477 123.254 -1.777 1
1 270 . 5 1 1 A 33 33 PHE H H 55 7.333 8.447 -1.114 1
1 271 . 5 1 1 A 33 33 PHE HA H 55 3.603 4.169 -0.566 1
1 275 . 5 1 1 A 33 33 PHE CA C 55 61.288 62.192 -0.904 1
1 276 . 5 1 1 A 33 33 PHE CB C 55 39.446 39.315 0.131 1
1 278 . 5 1 1 A 33 33 PHE N N 55 120.174 120.402 -0.228 1
1 279 . 5 1 1 A 34 34 ARG H H 56 7.860 8.487 -0.627 1
1 280 . 5 1 1 A 34 34 ARG HA H 56 3.721 4.041 -0.320 1
1 285 . 5 1 1 A 34 34 ARG CA C 56 59.457 59.231 0.226 1
1 286 . 5 1 1 A 34 34 ARG CB C 56 30.014 30.154 -0.140 1
1 289 . 5 1 1 A 34 34 ARG N N 56 117.452 118.077 -0.625 1
1 290 . 5 1 1 A 35 35 GLU H H 57 7.715 7.635 0.080 1
1 291 . 5 1 1 A 35 35 GLU HA H 57 4.100 4.054 0.046 1
1 295 . 5 1 1 A 35 35 GLU CA C 57 57.997 58.785 -0.788 1
1 296 . 5 1 1 A 35 35 GLU CB C 57 29.970 29.185 0.785 1
1 298 . 5 1 1 A 35 35 GLU N N 57 116.049 119.077 -3.028 1
1 299 . 5 1 1 A 36 36 LYS H H 58 7.614 7.846 -0.232 1
1 300 . 5 1 1 A 36 36 LYS HA H 58 4.225 4.419 -0.194 1
1 305 . 5 1 1 A 36 36 LYS CA C 58 55.355 56.399 -1.044 1
1 306 . 5 1 1 A 36 36 LYS CB C 58 32.528 32.740 -0.212 1
1 310 . 5 1 1 A 36 36 LYS N N 58 116.955 118.710 -1.755 1
1 311 . 5 1 1 A 37 37 LYS H H 59 7.546 8.065 -0.519 1
1 312 . 5 1 1 A 37 37 LYS HA H 59 3.403 4.260 -0.857 1
1 315 . 5 1 1 A 37 37 LYS CA C 59 59.757 58.611 1.146 1
1 316 . 5 1 1 A 37 37 LYS CB C 59 31.569 32.241 -0.672 1
1 320 . 5 1 1 A 37 37 LYS N N 59 118.551 121.180 -2.629 1
1 321 . 5 1 1 A 38 38 ALA H H 60 7.940 8.179 -0.239 1
1 322 . 5 1 1 A 38 38 ALA HA H 60 4.215 4.064 0.151 1
1 326 . 5 1 1 A 38 38 ALA CA C 60 53.352 54.562 -1.210 1
1 327 . 5 1 1 A 38 38 ALA CB C 60 19.247 18.590 0.657 1
1 328 . 5 1 1 A 38 38 ALA N N 60 118.227 121.493 -3.266 1
1 329 . 5 1 1 A 39 39 VAL H H 61 7.917 7.518 0.399 1
1 330 . 5 1 1 A 39 39 VAL HA H 61 4.466 3.894 0.572 1
1 338 . 5 1 1 A 39 39 VAL CA C 61 60.339 65.156 -4.817 1
1 339 . 5 1 1 A 39 39 VAL CB C 61 31.626 32.099 -0.473 1
1 342 . 5 1 1 A 39 39 VAL N N 61 111.011 114.215 -3.204 1
1 343 . 5 1 1 A 40 40 LEU H H 62 6.773 7.661 -0.888 1
1 344 . 5 1 1 A 40 40 LEU HA H 62 4.495 4.114 0.381 1
1 350 . 5 1 1 A 40 40 LEU CA C 62 54.357 55.531 -1.174 1
1 351 . 5 1 1 A 40 40 LEU CB C 62 43.272 40.925 2.347 1
1 353 . 5 1 1 A 40 40 LEU N N 62 121.749 120.103 1.646 1
1 354 . 5 1 1 A 41 41 TYR H H 63 8.277 9.296 -1.019 1
1 355 . 5 1 1 A 41 41 TYR HA H 63 4.837 5.193 -0.356 1
1 358 . 5 1 1 A 41 41 TYR CA C 63 56.696 56.637 0.059 1
1 359 . 5 1 1 A 41 41 TYR CB C 63 42.753 42.492 0.261 1
1 360 . 5 1 1 A 41 41 TYR N N 63 118.215 122.786 -4.571 1
1 361 . 5 1 1 A 42 42 MET H H 64 8.749 8.978 -0.229 1
1 362 . 5 1 1 A 42 42 MET HA H 64 4.324 5.148 -0.824 1
1 368 . 5 1 1 A 42 42 MET CA C 64 57.707 54.203 3.504 1
1 369 . 5 1 1 A 42 42 MET CB C 64 35.348 35.922 -0.574 1
1 372 . 5 1 1 A 42 42 MET N N 64 122.104 124.231 -2.127 1
1 373 . 5 1 1 A 43 43 ALA H H 65 7.715 9.104 -1.389 1
1 374 . 5 1 1 A 43 43 ALA HA H 65 5.260 5.618 -0.358 1
1 378 . 5 1 1 A 43 43 ALA CA C 65 50.030 50.099 -0.069 1
1 379 . 5 1 1 A 43 43 ALA CB C 65 22.614 22.253 0.361 1
1 380 . 5 1 1 A 43 43 ALA N N 65 126.545 129.505 -2.960 1
1 381 . 5 1 1 A 44 44 LYS H H 66 8.405 9.543 -1.138 1
1 382 . 5 1 1 A 44 44 LYS HA H 66 4.790 4.816 -0.026 1
1 385 . 5 1 1 A 44 44 LYS CA C 66 55.700 55.036 0.664 1
1 386 . 5 1 1 A 44 44 LYS CB C 66 34.887 33.745 1.142 1
1 387 . 5 1 1 A 44 44 LYS N N 66 122.330 122.967 -0.637 1
1 388 . 5 1 1 A 45 45 THR H H 67 9.398 8.529 0.869 1
1 389 . 5 1 1 A 45 45 THR HA H 67 5.067 5.379 -0.312 1
1 394 . 5 1 1 A 45 45 THR CA C 67 62.069 62.098 -0.029 1
1 395 . 5 1 1 A 45 45 THR CB C 67 72.034 70.569 1.465 1
1 397 . 5 1 1 A 45 45 THR N N 67 125.471 123.640 1.831 1
1 398 . 5 1 1 A 46 46 VAL H H 68 9.026 8.627 0.399 1
1 399 . 5 1 1 A 46 46 VAL HA H 68 4.510 4.906 -0.396 1
1 404 . 5 1 1 A 46 46 VAL CA C 68 61.532 61.044 0.488 1
1 405 . 5 1 1 A 46 46 VAL CB C 68 33.257 34.804 -1.547 1
1 407 . 5 1 1 A 46 46 VAL N N 68 126.960 126.042 0.918 1
1 408 . 5 1 1 A 47 47 VAL H H 69 9.346 8.691 0.655 1
1 409 . 5 1 1 A 47 47 VAL HA H 69 4.700 4.609 0.091 1
1 417 . 5 1 1 A 47 47 VAL CA C 69 61.990 61.547 0.443 1
1 418 . 5 1 1 A 47 47 VAL CB C 69 32.495 32.675 -0.180 1
1 421 . 5 1 1 A 47 47 VAL N N 69 130.792 128.776 2.016 1
1 422 . 5 1 1 A 48 48 ALA H H 70 9.268 9.295 -0.027 1
1 423 . 5 1 1 A 48 48 ALA HA H 70 5.121 4.802 0.319 1
1 427 . 5 1 1 A 48 48 ALA CA C 70 49.710 48.935 0.775 1
1 428 . 5 1 1 A 48 48 ALA CB C 70 21.349 20.876 0.473 1
1 429 . 5 1 1 A 48 48 ALA N N 70 133.796 130.131 3.665 1
1 430 . 5 1 1 A 49 49 PRO HA H 71 4.842 4.931 -0.089 1
1 433 . 5 1 1 A 49 49 PRO CA C 71 63.040 63.200 -0.160 1
1 434 . 5 1 1 A 49 49 PRO CB C 71 32.195 31.973 0.222 1
1 437 . 5 1 1 A 50 50 SER H H 72 8.025 9.303 -1.278 1
1 438 . 5 1 1 A 50 50 SER HA H 72 4.914 4.867 0.047 1
1 441 . 5 1 1 A 50 50 SER CA C 72 55.615 57.119 -1.504 1
1 442 . 5 1 1 A 50 50 SER CB C 72 65.439 65.378 0.061 1
1 443 . 5 1 1 A 50 50 SER N N 72 117.492 118.177 -0.685 1
1 444 . 5 1 1 A 51 51 THR H H 73 8.730 8.921 -0.191 1
1 445 . 5 1 1 A 51 51 THR HA H 73 4.145 4.156 -0.011 1
1 450 . 5 1 1 A 51 51 THR CA C 73 64.544 65.356 -0.812 1
1 451 . 5 1 1 A 51 51 THR CB C 73 68.785 68.508 0.277 1
1 453 . 5 1 1 A 51 51 THR N N 73 116.878 117.293 -0.415 1
1 454 . 5 1 1 A 52 52 GLU H H 74 8.151 7.746 0.405 1
1 455 . 5 1 1 A 52 52 GLU HA H 74 4.475 4.451 0.024 1
1 459 . 5 1 1 A 52 52 GLU CA C 74 56.422 56.611 -0.189 1
1 460 . 5 1 1 A 52 52 GLU CB C 74 28.860 30.323 -1.463 1
1 462 . 5 1 1 A 52 52 GLU N N 74 118.204 120.188 -1.984 1
1 463 . 5 1 1 A 53 53 GLY H H 75 7.778 8.320 -0.542 1
1 464 . 5 1 1 A 53 53 GLY HA2 H 75 3.864 3.939 -0.075 1
1 465 . 5 1 1 A 53 53 GLY HA3 H 75 4.446 3.940 0.506 1
1 466 . 5 1 1 A 53 53 GLY CA C 75 45.501 45.638 -0.137 1
1 467 . 5 1 1 A 53 53 GLY N N 75 106.348 108.424 -2.076 1
1 468 . 5 1 1 A 54 54 GLY H H 76 7.775 8.066 -0.291 1
1 469 . 5 1 1 A 54 54 GLY HA2 H 76 4.177 4.142 0.035 1
1 470 . 5 1 1 A 54 54 GLY HA3 H 76 4.677 4.172 0.505 1
1 471 . 5 1 1 A 54 54 GLY CA C 76 43.906 44.761 -0.855 1
1 472 . 5 1 1 A 54 54 GLY N N 76 108.460 108.176 0.284 1
1 473 . 5 1 1 A 55 55 LEU H H 77 8.311 8.250 0.061 1
1 474 . 5 1 1 A 55 55 LEU HA H 77 5.116 5.001 0.115 1
1 477 . 5 1 1 A 55 55 LEU CA C 77 53.425 53.324 0.101 1
1 478 . 5 1 1 A 55 55 LEU CB C 77 47.604 45.922 1.682 1
1 479 . 5 1 1 A 55 55 LEU N N 77 120.236 121.700 -1.464 1
1 480 . 5 1 1 A 56 56 ASN H H 78 9.424 9.913 -0.489 1
1 481 . 5 1 1 A 56 56 ASN HA H 78 5.149 5.437 -0.288 1
1 485 . 5 1 1 A 56 56 ASN CA C 78 52.316 52.131 0.185 1
1 486 . 5 1 1 A 56 56 ASN CB C 78 40.839 40.365 0.474 1
1 487 . 5 1 1 A 56 56 ASN N N 78 120.305 120.222 0.083 1
1 489 . 5 1 1 A 57 57 LEU H H 79 9.259 8.300 0.959 1
1 490 . 5 1 1 A 57 57 LEU HA H 79 4.903 5.867 -0.964 1
1 491 . 5 1 1 A 57 57 LEU CA C 79 54.713 53.953 0.760 1
1 492 . 5 1 1 A 57 57 LEU CB C 79 42.533 42.558 -0.025 1
1 493 . 5 1 1 A 57 57 LEU N N 79 127.309 122.690 4.619 1
1 494 . 5 1 1 A 58 58 THR H H 80 8.973 9.690 -0.717 1
1 495 . 5 1 1 A 58 58 THR HA H 80 4.941 4.997 -0.056 1
1 500 . 5 1 1 A 58 58 THR CA C 80 62.501 62.063 0.438 1
1 501 . 5 1 1 A 58 58 THR CB C 80 68.984 69.453 -0.469 1
1 503 . 5 1 1 A 58 58 THR N N 80 122.763 119.833 2.930 1
1 504 . 5 1 1 A 59 59 SER H H 81 9.549 8.856 0.693 1
1 505 . 5 1 1 A 59 59 SER HA H 81 6.045 6.066 -0.021 1
1 507 . 5 1 1 A 59 59 SER CA C 81 57.242 56.698 0.544 1
1 508 . 5 1 1 A 59 59 SER CB C 81 65.536 64.805 0.731 1
1 509 . 5 1 1 A 59 59 SER N N 81 126.425 121.337 5.088 1
1 510 . 5 1 1 A 60 60 THR H H 82 9.332 9.163 0.169 1
1 511 . 5 1 1 A 60 60 THR HA H 82 5.464 5.358 0.106 1
1 516 . 5 1 1 A 60 60 THR CA C 82 61.719 60.563 1.156 1
1 517 . 5 1 1 A 60 60 THR CB C 82 70.846 70.749 0.097 1
1 519 . 5 1 1 A 60 60 THR N N 82 121.445 115.656 5.789 1
1 520 . 5 1 1 A 61 61 PHE H H 83 8.794 8.534 0.260 1
1 521 . 5 1 1 A 61 61 PHE HA H 83 5.266 6.920 -1.654 1
1 525 . 5 1 1 A 61 61 PHE CA C 83 54.698 55.059 -0.361 1
1 526 . 5 1 1 A 61 61 PHE CB C 83 42.327 42.773 -0.446 1
1 528 . 5 1 1 A 61 61 PHE N N 83 121.707 119.805 1.902 1
1 529 . 5 1 1 A 62 62 LEU H H 84 8.915 8.640 0.275 1
1 530 . 5 1 1 A 62 62 LEU HA H 84 4.885 5.453 -0.568 1
1 540 . 5 1 1 A 62 62 LEU CA C 84 54.447 53.749 0.698 1
1 541 . 5 1 1 A 62 62 LEU CB C 84 43.627 44.912 -1.285 1
1 545 . 5 1 1 A 62 62 LEU N N 84 122.160 122.866 -0.706 1
1 546 . 5 1 1 A 63 63 ARG H H 85 9.213 9.403 -0.190 1
1 547 . 5 1 1 A 63 63 ARG HA H 85 4.645 5.007 -0.362 1
1 551 . 5 1 1 A 63 63 ARG CA C 85 56.244 55.008 1.236 1
1 552 . 5 1 1 A 63 63 ARG CB C 85 32.551 32.381 0.170 1
1 555 . 5 1 1 A 63 63 ARG N N 85 128.889 125.975 2.914 1
1 556 . 5 1 1 A 64 64 LYS H H 86 9.466 9.578 -0.112 1
1 557 . 5 1 1 A 64 64 LYS HA H 86 3.869 3.957 -0.088 1
1 563 . 5 1 1 A 64 64 LYS CA C 86 58.497 57.614 0.883 1
1 564 . 5 1 1 A 64 64 LYS CB C 86 30.202 30.945 -0.743 1
1 568 . 5 1 1 A 64 64 LYS N N 86 127.634 119.521 8.113 1
1 569 . 5 1 1 A 65 65 ASN H H 87 8.648 8.646 0.002 1
1 570 . 5 1 1 A 65 65 ASN HA H 87 4.500 4.267 0.233 1
1 575 . 5 1 1 A 65 65 ASN CA C 87 54.059 54.583 -0.524 1
1 576 . 5 1 1 A 65 65 ASN CB C 87 38.861 37.346 1.515 1
1 577 . 5 1 1 A 65 65 ASN N N 87 113.645 108.057 5.588 1
1 579 . 5 1 1 A 66 66 GLN H H 88 8.009 7.664 0.345 1
1 580 . 5 1 1 A 66 66 GLN HA H 88 4.720 4.811 -0.091 1
1 586 . 5 1 1 A 66 66 GLN CA C 88 53.951 54.739 -0.788 1
1 587 . 5 1 1 A 66 66 GLN CB C 88 32.360 31.356 1.004 1
1 589 . 5 1 1 A 66 66 GLN N N 88 118.506 116.461 2.045 1
1 591 . 5 1 1 A 67 67 CYS H H 89 8.712 9.048 -0.336 1
1 592 . 5 1 1 A 67 67 CYS HA H 89 5.398 5.516 -0.118 1
1 595 . 5 1 1 A 67 67 CYS CA C 89 52.821 54.312 -1.491 1
1 596 . 5 1 1 A 67 67 CYS CB C 89 36.780 45.133 -8.353 1
1 597 . 5 1 1 A 67 67 CYS N N 89 119.694 125.185 -5.491 1
1 598 . 5 1 1 A 68 68 GLU H H 90 9.083 8.184 0.899 1
1 599 . 5 1 1 A 68 68 GLU HA H 90 4.568 4.824 -0.256 1
1 603 . 5 1 1 A 68 68 GLU CA C 90 54.905 54.694 0.211 1
1 604 . 5 1 1 A 68 68 GLU CB C 90 33.372 33.535 -0.163 1
1 606 . 5 1 1 A 68 68 GLU N N 90 126.906 126.353 0.553 1
1 607 . 5 1 1 A 69 69 THR H H 91 8.233 8.408 -0.175 1
1 608 . 5 1 1 A 69 69 THR HA H 91 5.721 4.939 0.782 1
1 613 . 5 1 1 A 69 69 THR CA C 91 60.732 61.036 -0.304 1
1 614 . 5 1 1 A 69 69 THR CB C 91 71.796 70.968 0.828 1
1 616 . 5 1 1 A 69 69 THR N N 91 115.413 117.114 -1.701 1
1 617 . 5 1 1 A 70 70 LYS H H 92 9.232 8.682 0.550 1
1 618 . 5 1 1 A 70 70 LYS HA H 92 4.847 4.866 -0.019 1
1 624 . 5 1 1 A 70 70 LYS CA C 92 54.766 54.975 -0.209 1
1 625 . 5 1 1 A 70 70 LYS CB C 92 36.982 36.133 0.849 1
1 629 . 5 1 1 A 70 70 LYS N N 92 125.378 126.474 -1.096 1
1 630 . 5 1 1 A 71 71 ILE H H 93 8.751 9.002 -0.251 1
1 631 . 5 1 1 A 71 71 ILE HA H 93 5.101 4.694 0.407 1
1 641 . 5 1 1 A 71 71 ILE CA C 93 60.391 60.108 0.283 1
1 642 . 5 1 1 A 71 71 ILE CB C 93 40.534 39.508 1.026 1
1 646 . 5 1 1 A 71 71 ILE N N 93 124.290 127.870 -3.580 1
1 647 . 5 1 1 A 72 72 MET H H 94 9.003 8.912 0.091 1
1 648 . 5 1 1 A 72 72 MET HA H 94 4.775 5.135 -0.360 1
1 651 . 5 1 1 A 72 72 MET CA C 94 54.673 54.230 0.443 1
1 652 . 5 1 1 A 72 72 MET CB C 94 36.889 36.665 0.224 1
1 654 . 5 1 1 A 72 72 MET N N 94 127.651 125.243 2.408 1
1 655 . 5 1 1 A 73 73 VAL H H 95 8.607 9.034 -0.427 1
1 656 . 5 1 1 A 73 73 VAL HA H 95 4.740 4.744 -0.004 1
1 661 . 5 1 1 A 73 73 VAL CA C 95 62.080 60.236 1.844 1
1 662 . 5 1 1 A 73 73 VAL CB C 95 33.333 34.146 -0.813 1
1 664 . 5 1 1 A 73 73 VAL N N 95 125.436 124.647 0.789 1
1 665 . 5 1 1 A 74 74 LEU H H 96 9.278 9.138 0.140 1
1 666 . 5 1 1 A 74 74 LEU HA H 96 5.089 5.360 -0.271 1
1 668 . 5 1 1 A 74 74 LEU CA C 96 53.117 53.461 -0.344 1
1 669 . 5 1 1 A 74 74 LEU CB C 96 42.342 45.616 -3.274 1
1 670 . 5 1 1 A 74 74 LEU N N 96 127.760 129.816 -2.056 1
1 671 . 5 1 1 A 75 75 GLN H H 97 9.280 8.543 0.737 1
1 672 . 5 1 1 A 75 75 GLN HA H 97 5.018 4.866 0.152 1
1 675 . 5 1 1 A 75 75 GLN CA C 97 53.326 52.183 1.143 1
1 676 . 5 1 1 A 75 75 GLN CB C 97 29.255 30.136 -0.881 1
1 678 . 5 1 1 A 75 75 GLN N N 97 125.135 124.920 0.215 1
1 679 . 5 1 1 A 76 76 PRO HA H 98 4.407 4.623 -0.216 1
1 682 . 5 1 1 A 76 76 PRO CA C 98 64.216 63.097 1.119 1
1 683 . 5 1 1 A 76 76 PRO CB C 98 32.365 32.623 -0.258 1
1 684 . 5 1 1 A 77 77 ALA H H 99 8.021 8.422 -0.401 1
1 685 . 5 1 1 A 77 77 ALA HA H 99 4.691 4.640 0.051 1
1 689 . 5 1 1 A 77 77 ALA CA C 99 50.927 51.390 -0.463 1
1 690 . 5 1 1 A 77 77 ALA CB C 99 20.003 19.274 0.729 1
1 691 . 5 1 1 A 77 77 ALA N N 99 126.607 126.477 0.130 1
1 692 . 5 1 1 A 78 78 GLY H H 100 8.185 8.225 -0.040 1
1 693 . 5 1 1 A 78 78 GLY HA2 H 100 3.560 3.931 -0.371 1
1 694 . 5 1 1 A 78 78 GLY HA3 H 100 4.211 3.946 0.265 1
1 695 . 5 1 1 A 78 78 GLY CA C 100 45.692 45.912 -0.220 1
1 696 . 5 1 1 A 78 78 GLY N N 100 109.388 107.229 2.159 1
1 697 . 5 1 1 A 79 79 ALA H H 101 8.074 8.135 -0.061 1
1 698 . 5 1 1 A 79 79 ALA HA H 101 4.624 4.488 0.136 1
1 702 . 5 1 1 A 79 79 ALA CA C 101 50.576 50.643 -0.067 1
1 703 . 5 1 1 A 79 79 ALA CB C 101 18.277 19.100 -0.823 1
1 704 . 5 1 1 A 79 79 ALA N N 101 126.934 125.369 1.565 1
1 705 . 5 1 1 A 80 80 PRO HA H 102 4.425 4.296 0.129 1
1 707 . 5 1 1 A 80 80 PRO CA C 102 63.915 63.715 0.200 1
1 708 . 5 1 1 A 80 80 PRO CB C 102 32.093 32.000 0.093 1
1 711 . 5 1 1 A 81 81 GLY H H 103 8.227 9.096 -0.869 1
1 712 . 5 1 1 A 81 81 GLY HA2 H 103 2.428 4.080 -1.652 1
1 713 . 5 1 1 A 81 81 GLY HA3 H 103 3.673 4.097 -0.424 1
1 714 . 5 1 1 A 81 81 GLY CA C 103 44.671 46.077 -1.406 1
1 715 . 5 1 1 A 81 81 GLY N N 103 111.362 111.264 0.098 1
1 716 . 5 1 1 A 82 82 HIS H H 104 7.610 7.741 -0.131 1
1 717 . 5 1 1 A 82 82 HIS HA H 104 5.169 4.746 0.423 1
1 721 . 5 1 1 A 82 82 HIS CA C 104 54.457 54.959 -0.502 1
1 722 . 5 1 1 A 82 82 HIS CB C 104 29.867 32.698 -2.831 1
1 724 . 5 1 1 A 82 82 HIS N N 104 117.393 118.450 -1.057 1
1 725 . 5 1 1 A 83 83 TYR H H 105 9.164 7.788 1.376 1
1 726 . 5 1 1 A 83 83 TYR HA H 105 5.465 5.549 -0.084 1
1 730 . 5 1 1 A 83 83 TYR CA C 105 56.894 55.647 1.247 1
1 731 . 5 1 1 A 83 83 TYR CB C 105 44.686 42.505 2.181 1
1 733 . 5 1 1 A 83 83 TYR N N 105 122.473 122.204 0.269 1
1 734 . 5 1 1 A 84 84 THR H H 106 9.475 8.665 0.810 1
1 735 . 5 1 1 A 84 84 THR HA H 106 5.439 5.079 0.360 1
1 740 . 5 1 1 A 84 84 THR CA C 106 60.469 60.406 0.063 1
1 741 . 5 1 1 A 84 84 THR CB C 106 72.344 71.636 0.708 1
1 743 . 5 1 1 A 84 84 THR N N 106 112.202 112.723 -0.521 1
1 744 . 5 1 1 A 85 85 TYR H H 107 8.723 8.179 0.544 1
1 745 . 5 1 1 A 85 85 TYR HA H 107 5.239 6.010 -0.771 1
1 749 . 5 1 1 A 85 85 TYR CA C 107 56.392 55.374 1.018 1
1 750 . 5 1 1 A 85 85 TYR CB C 107 41.653 41.519 0.134 1
1 751 . 5 1 1 A 85 85 TYR N N 107 118.519 120.147 -1.628 1
1 752 . 5 1 1 A 86 86 SER H H 108 8.509 8.895 -0.386 1
1 753 . 5 1 1 A 86 86 SER HA H 108 4.564 5.050 -0.486 1
1 755 . 5 1 1 A 86 86 SER CA C 108 56.420 57.178 -0.758 1
1 756 . 5 1 1 A 86 86 SER CB C 108 63.939 63.298 0.641 1
1 757 . 5 1 1 A 86 86 SER N N 108 120.384 117.222 3.162 1
1 758 . 5 1 1 A 87 87 SER H H 109 8.155 8.693 -0.538 1
1 759 . 5 1 1 A 87 87 SER HA H 109 4.519 4.615 -0.096 1
1 762 . 5 1 1 A 87 87 SER CA C 109 56.046 56.485 -0.439 1
1 763 . 5 1 1 A 87 87 SER CB C 109 63.145 64.550 -1.405 1
1 764 . 5 1 1 A 87 87 SER N N 109 120.949 123.092 -2.143 1
1 765 . 5 1 1 A 88 88 PRO HA H 110 4.287 4.629 -0.342 1
1 767 . 5 1 1 A 88 88 PRO CA C 110 64.081 62.502 1.579 1
1 768 . 5 1 1 A 88 88 PRO CB C 110 32.049 29.101 2.948 1
1 771 . 5 1 1 A 89 89 HIS H H 111 8.535 8.441 0.094 1
1 772 . 5 1 1 A 89 89 HIS HA H 111 4.421 4.736 -0.315 1
1 774 . 5 1 1 A 89 89 HIS CA C 111 56.683 57.292 -0.609 1
1 775 . 5 1 1 A 89 89 HIS CB C 111 27.859 30.919 -3.060 1
1 776 . 5 1 1 A 89 89 HIS N N 111 115.372 120.603 -5.231 1
1 777 . 5 1 1 A 90 90 SER H H 112 8.012 8.001 0.011 1
1 778 . 5 1 1 A 90 90 SER HA H 112 4.422 4.456 -0.034 1
1 781 . 5 1 1 A 90 90 SER CA C 112 58.586 58.951 -0.365 1
1 782 . 5 1 1 A 90 90 SER CB C 112 64.405 64.322 0.083 1
1 783 . 5 1 1 A 90 90 SER N N 112 112.865 112.074 0.791 1
1 784 . 5 1 1 A 91 91 GLY H H 113 8.239 8.517 -0.278 1
1 785 . 5 1 1 A 91 91 GLY HA2 H 113 3.911 3.967 -0.056 1
1 786 . 5 1 1 A 91 91 GLY HA3 H 113 3.966 3.977 -0.011 1
1 787 . 5 1 1 A 91 91 GLY CA C 113 45.627 45.504 0.123 1
1 788 . 5 1 1 A 91 91 GLY N N 113 110.848 109.974 0.874 1
1 789 . 5 1 1 A 92 92 SER H H 114 7.757 7.934 -0.177 1
1 790 . 5 1 1 A 92 92 SER HA H 114 4.518 4.974 -0.456 1
1 792 . 5 1 1 A 92 92 SER CA C 114 58.132 55.868 2.264 1
1 793 . 5 1 1 A 92 92 SER CB C 114 64.340 66.508 -2.168 1
1 794 . 5 1 1 A 92 92 SER N N 114 114.404 113.429 0.975 1
1 795 . 5 1 1 A 93 93 ILE H H 115 8.456 8.955 -0.499 1
1 796 . 5 1 1 A 93 93 ILE HA H 115 4.412 4.610 -0.198 1
1 806 . 5 1 1 A 93 93 ILE CA C 115 60.573 60.174 0.399 1
1 807 . 5 1 1 A 93 93 ILE CB C 115 39.061 39.608 -0.547 1
1 811 . 5 1 1 A 93 93 ILE N N 115 124.873 122.306 2.567 1
1 812 . 5 1 1 A 94 94 HIS H H 116 8.994 8.353 0.641 1
1 813 . 5 1 1 A 94 94 HIS HA H 116 5.309 4.987 0.322 1
1 814 . 5 1 1 A 94 94 HIS CA C 116 53.919 54.605 -0.686 1
1 815 . 5 1 1 A 94 94 HIS CB C 116 27.883 31.322 -3.439 1
1 816 . 5 1 1 A 94 94 HIS N N 116 125.591 127.151 -1.560 1
1 817 . 5 1 1 A 95 95 SER H H 117 9.153 8.425 0.728 1
1 818 . 5 1 1 A 95 95 SER HA H 117 5.101 4.792 0.309 1
1 820 . 5 1 1 A 95 95 SER CA C 117 57.114 57.260 -0.146 1
1 821 . 5 1 1 A 95 95 SER CB C 117 64.430 63.896 0.534 1
1 822 . 5 1 1 A 95 95 SER N N 117 117.598 122.739 -5.141 1
1 823 . 5 1 1 A 96 96 VAL H H 118 9.055 8.957 0.098 1
1 824 . 5 1 1 A 96 96 VAL HA H 118 5.009 4.984 0.025 1
1 828 . 5 1 1 A 96 96 VAL CA C 118 61.453 60.608 0.845 1
1 829 . 5 1 1 A 96 96 VAL CB C 118 35.098 33.699 1.399 1
1 831 . 5 1 1 A 96 96 VAL N N 118 126.585 127.827 -1.242 1
1 832 . 5 1 1 A 97 97 SER H H 119 9.032 9.169 -0.137 1
1 833 . 5 1 1 A 97 97 SER HA H 119 5.543 4.850 0.693 1
1 835 . 5 1 1 A 97 97 SER CA C 119 56.290 57.605 -1.315 1
1 836 . 5 1 1 A 97 97 SER CB C 119 65.799 64.138 1.661 1
1 837 . 5 1 1 A 97 97 SER N N 119 121.395 125.805 -4.410 1
1 838 . 5 1 1 A 98 98 VAL H H 120 8.402 8.620 -0.218 1
1 839 . 5 1 1 A 98 98 VAL HA H 120 4.027 4.357 -0.330 1
1 847 . 5 1 1 A 98 98 VAL CA C 120 62.212 61.087 1.125 1
1 848 . 5 1 1 A 98 98 VAL CB C 120 29.250 33.069 -3.819 1
1 851 . 5 1 1 A 98 98 VAL N N 120 124.771 127.208 -2.437 1
1 852 . 5 1 1 A 99 99 VAL H H 121 8.361 8.308 0.053 1
1 853 . 5 1 1 A 99 99 VAL HA H 121 3.723 4.056 -0.333 1
1 858 . 5 1 1 A 99 99 VAL CA C 121 65.202 64.604 0.598 1
1 859 . 5 1 1 A 99 99 VAL CB C 121 32.718 32.651 0.067 1
1 861 . 5 1 1 A 99 99 VAL N N 121 128.844 128.535 0.309 1
1 862 . 5 1 1 A 100 100 GLU H H 122 7.188 7.779 -0.591 1
1 863 . 5 1 1 A 100 100 GLU HA H 122 4.726 4.847 -0.121 1
1 866 . 5 1 1 A 100 100 GLU CA C 122 54.951 55.324 -0.373 1
1 867 . 5 1 1 A 100 100 GLU CB C 122 34.111 33.869 0.242 1
1 868 . 5 1 1 A 100 100 GLU N N 122 113.832 118.622 -4.790 1
1 869 . 5 1 1 A 101 101 ALA H H 123 8.708 8.792 -0.084 1
1 870 . 5 1 1 A 101 101 ALA HA H 123 4.365 5.432 -1.067 1
1 874 . 5 1 1 A 101 101 ALA CA C 123 52.217 49.897 2.320 1
1 875 . 5 1 1 A 101 101 ALA CB C 123 21.568 22.949 -1.381 1
1 876 . 5 1 1 A 101 101 ALA N N 123 124.349 123.862 0.487 1
1 877 . 5 1 1 A 105 105 GLU HA H 127 3.719 4.577 -0.858 1
1 878 . 5 1 1 A 105 105 GLU CA C 127 59.422 57.763 1.659 1
1 879 . 5 1 1 A 105 105 GLU CB C 127 35.689 30.875 4.814 1
1 880 . 5 1 1 A 106 106 TYR H H 128 9.359 7.918 1.441 1
1 881 . 5 1 1 A 106 106 TYR HA H 128 6.292 5.090 1.202 1
1 885 . 5 1 1 A 106 106 TYR CA C 128 58.184 56.776 1.408 1
1 886 . 5 1 1 A 106 106 TYR CB C 128 42.417 40.514 1.903 1
1 889 . 5 1 1 A 106 106 TYR N N 128 118.441 114.265 4.176 1
1 890 . 5 1 1 A 107 107 ALA H H 129 9.057 8.663 0.394 1
1 891 . 5 1 1 A 107 107 ALA HA H 129 4.724 5.320 -0.596 1
1 895 . 5 1 1 A 107 107 ALA CA C 129 51.666 50.067 1.599 1
1 896 . 5 1 1 A 107 107 ALA CB C 129 22.720 21.448 1.272 1
1 897 . 5 1 1 A 107 107 ALA N N 129 120.309 122.959 -2.650 1
1 898 . 5 1 1 A 108 108 LEU H H 130 8.889 8.590 0.299 1
1 899 . 5 1 1 A 108 108 LEU HA H 130 5.191 5.050 0.141 1
1 908 . 5 1 1 A 108 108 LEU CA C 130 53.730 53.451 0.279 1
1 909 . 5 1 1 A 108 108 LEU CB C 130 43.792 44.138 -0.346 1
1 912 . 5 1 1 A 108 108 LEU N N 130 122.798 124.175 -1.377 1
1 913 . 5 1 1 A 109 109 LEU H H 131 9.168 9.020 0.148 1
1 914 . 5 1 1 A 109 109 LEU HA H 131 5.410 5.138 0.272 1
1 924 . 5 1 1 A 109 109 LEU CA C 131 54.387 52.906 1.481 1
1 925 . 5 1 1 A 109 109 LEU CB C 131 45.159 45.875 -0.716 1
1 929 . 5 1 1 A 109 109 LEU N N 131 126.359 121.899 4.460 1
1 930 . 5 1 1 A 110 110 PHE H H 132 9.150 8.673 0.477 1
1 931 . 5 1 1 A 110 110 PHE HA H 132 5.687 5.327 0.360 1
1 935 . 5 1 1 A 110 110 PHE CA C 132 56.501 56.334 0.167 1
1 936 . 5 1 1 A 110 110 PHE CB C 132 43.567 42.339 1.228 1
1 937 . 5 1 1 A 110 110 PHE N N 132 120.892 119.565 1.327 1
1 938 . 5 1 1 A 111 111 SER H H 133 8.978 9.678 -0.700 1
1 939 . 5 1 1 A 111 111 SER HA H 133 5.702 5.295 0.407 1
1 941 . 5 1 1 A 111 111 SER CA C 133 55.789 57.627 -1.838 1
1 942 . 5 1 1 A 111 111 SER CB C 133 65.521 64.789 0.732 1
1 943 . 5 1 1 A 111 111 SER N N 133 125.184 119.000 6.184 1
1 944 . 5 1 1 A 112 112 ARG H H 134 8.581 9.051 -0.470 1
1 945 . 5 1 1 A 112 112 ARG HA H 134 5.151 5.447 -0.296 1
1 950 . 5 1 1 A 112 112 ARG CA C 134 53.502 54.414 -0.912 1
1 951 . 5 1 1 A 112 112 ARG CB C 134 34.324 33.836 0.488 1
1 954 . 5 1 1 A 112 112 ARG N N 134 120.408 126.712 -6.304 1
1 955 . 5 1 1 A 113 113 GLY H H 135 8.195 8.470 -0.275 1
1 956 . 5 1 1 A 113 113 GLY HA2 H 135 4.108 3.984 0.124 1
1 957 . 5 1 1 A 113 113 GLY HA3 H 135 4.342 4.008 0.334 1
1 958 . 5 1 1 A 113 113 GLY CA C 135 45.735 44.389 1.346 1
1 959 . 5 1 1 A 113 113 GLY N N 135 108.687 111.325 -2.638 1
1 960 . 5 1 1 A 114 114 THR H H 136 8.437 9.112 -0.675 1
1 961 . 5 1 1 A 114 114 THR HA H 136 4.686 4.073 0.613 1
1 966 . 5 1 1 A 114 114 THR CA C 136 61.317 65.242 -3.925 1
1 967 . 5 1 1 A 114 114 THR CB C 136 70.640 69.071 1.569 1
1 969 . 5 1 1 A 114 114 THR N N 136 112.383 113.535 -1.152 1
1 970 . 5 1 1 A 115 115 LYS H H 137 8.042 7.968 0.074 1
1 971 . 5 1 1 A 115 115 LYS HA H 137 4.457 3.963 0.494 1
1 976 . 5 1 1 A 115 115 LYS CA C 137 56.861 57.162 -0.301 1
1 977 . 5 1 1 A 115 115 LYS CB C 137 34.523 31.831 2.692 1
1 981 . 5 1 1 A 115 115 LYS N N 137 121.031 121.158 -0.127 1
1 982 . 5 1 1 A 116 116 GLY H H 138 8.574 8.785 -0.211 1
1 983 . 5 1 1 A 116 116 GLY HA2 H 138 3.894 3.895 -0.001 1
1 984 . 5 1 1 A 116 116 GLY HA3 H 138 4.566 3.898 0.668 1
1 985 . 5 1 1 A 116 116 GLY CA C 138 44.217 45.573 -1.356 1
1 986 . 5 1 1 A 116 116 GLY N N 138 112.843 115.422 -2.579 1
1 987 . 5 1 1 A 117 117 PRO HA H 139 4.452 4.604 -0.152 1
1 992 . 5 1 1 A 117 117 PRO CA C 139 63.920 62.766 1.154 1
1 993 . 5 1 1 A 117 117 PRO CB C 139 31.786 29.927 1.859 1
1 996 . 5 1 1 A 118 118 GLY H H 140 8.835 8.138 0.697 1
1 997 . 5 1 1 A 118 118 GLY HA2 H 140 4.030 3.926 0.104 1
1 998 . 5 1 1 A 118 118 GLY HA3 H 140 4.187 3.928 0.259 1
1 999 . 5 1 1 A 118 118 GLY CA C 140 45.949 46.556 -0.607 1
1 1000 . 5 1 1 A 118 118 GLY N N 140 110.324 109.282 1.042 1
1 1001 . 5 1 1 A 119 119 GLN H H 141 8.062 8.406 -0.344 1
1 1002 . 5 1 1 A 119 119 GLN HA H 141 4.067 4.482 -0.415 1
1 1005 . 5 1 1 A 119 119 GLN CA C 141 57.874 55.371 2.503 1
1 1006 . 5 1 1 A 119 119 GLN CB C 141 28.638 28.954 -0.316 1
1 1008 . 5 1 1 A 119 119 GLN N N 141 119.674 117.868 1.806 1
1 1009 . 5 1 1 A 120 120 ASP H H 142 8.554 8.065 0.489 1
1 1010 . 5 1 1 A 120 120 ASP HA H 142 4.606 4.264 0.342 1
1 1012 . 5 1 1 A 120 120 ASP CA C 142 54.348 55.243 -0.895 1
1 1013 . 5 1 1 A 120 120 ASP CB C 142 40.529 39.556 0.973 1
1 1014 . 5 1 1 A 120 120 ASP N N 142 117.596 117.478 0.118 1
1 1015 . 5 1 1 A 121 121 PHE H H 143 7.890 8.221 -0.331 1
1 1016 . 5 1 1 A 121 121 PHE HA H 143 4.477 4.628 -0.151 1
1 1021 . 5 1 1 A 121 121 PHE CA C 143 59.232 59.269 -0.037 1
1 1022 . 5 1 1 A 121 121 PHE CB C 143 39.898 40.044 -0.146 1
1 1025 . 5 1 1 A 121 121 PHE N N 143 122.226 118.123 4.103 1
1 1026 . 5 1 1 A 122 122 ARG H H 144 7.956 8.227 -0.271 1
1 1027 . 5 1 1 A 122 122 ARG HA H 144 4.664 5.160 -0.496 1
1 1032 . 5 1 1 A 122 122 ARG CA C 144 54.337 54.041 0.296 1
1 1033 . 5 1 1 A 122 122 ARG CB C 144 34.705 33.703 1.002 1
1 1036 . 5 1 1 A 122 122 ARG N N 144 126.876 127.311 -0.435 1
1 1037 . 5 1 1 A 123 123 MET H H 145 8.444 9.358 -0.914 1
1 1038 . 5 1 1 A 123 123 MET HA H 145 5.157 5.215 -0.058 1
1 1042 . 5 1 1 A 123 123 MET CA C 145 54.904 54.417 0.487 1
1 1043 . 5 1 1 A 123 123 MET CB C 145 37.618 36.892 0.726 1
1 1045 . 5 1 1 A 123 123 MET N N 145 121.767 124.301 -2.534 1
1 1046 . 5 1 1 A 124 124 ALA H H 146 9.809 8.772 1.037 1
1 1047 . 5 1 1 A 124 124 ALA HA H 146 5.801 5.501 0.300 1
1 1051 . 5 1 1 A 124 124 ALA CA C 146 50.289 50.700 -0.411 1
1 1052 . 5 1 1 A 124 124 ALA CB C 146 22.630 22.187 0.443 1
1 1053 . 5 1 1 A 124 124 ALA N N 146 132.634 125.467 7.167 1
1 1054 . 5 1 1 A 125 125 THR H H 147 9.169 9.215 -0.046 1
1 1055 . 5 1 1 A 125 125 THR HA H 147 4.974 5.371 -0.397 1
1 1060 . 5 1 1 A 125 125 THR CA C 147 62.270 61.217 1.053 1
1 1061 . 5 1 1 A 125 125 THR CB C 147 71.431 71.658 -0.227 1
1 1063 . 5 1 1 A 125 125 THR N N 147 118.001 116.467 1.534 1
1 1064 . 5 1 1 A 126 126 LEU H H 148 8.287 8.591 -0.304 1
1 1065 . 5 1 1 A 126 126 LEU HA H 148 4.994 4.802 0.192 1
1 1072 . 5 1 1 A 126 126 LEU CA C 148 52.917 53.493 -0.576 1
1 1073 . 5 1 1 A 126 126 LEU CB C 148 42.487 43.624 -1.137 1
1 1076 . 5 1 1 A 126 126 LEU N N 148 128.462 128.114 0.348 1
1 1077 . 5 1 1 A 127 127 TYR H H 149 9.352 8.588 0.764 1
1 1078 . 5 1 1 A 127 127 TYR HA H 149 5.745 4.787 0.958 1
1 1082 . 5 1 1 A 127 127 TYR CA C 149 55.277 58.892 -3.615 1
1 1083 . 5 1 1 A 127 127 TYR CB C 149 40.105 39.337 0.768 1
1 1085 . 5 1 1 A 127 127 TYR N N 149 127.854 127.187 0.667 1
1 1086 . 5 1 1 A 128 128 SER H H 150 9.808 8.661 1.147 1
1 1087 . 5 1 1 A 128 128 SER HA H 150 6.032 5.266 0.766 1
1 1090 . 5 1 1 A 128 128 SER CA C 150 55.349 55.805 -0.456 1
1 1091 . 5 1 1 A 128 128 SER CB C 150 66.028 64.982 1.046 1
1 1092 . 5 1 1 A 128 128 SER N N 150 113.673 116.925 -3.252 1
1 1093 . 5 1 1 A 129 129 ARG H H 151 8.667 9.132 -0.465 1
1 1094 . 5 1 1 A 129 129 ARG HA H 151 4.184 4.229 -0.045 1
1 1096 . 5 1 1 A 129 129 ARG CA C 151 56.959 59.685 -2.726 1
1 1097 . 5 1 1 A 129 129 ARG CB C 151 31.553 30.581 0.972 1
1 1098 . 5 1 1 A 129 129 ARG N N 151 126.102 124.469 1.633 1
1 1099 . 5 1 1 A 130 130 THR H H 152 8.244 7.750 0.494 1
1 1100 . 5 1 1 A 130 130 THR HA H 152 4.879 4.228 0.651 1
1 1105 . 5 1 1 A 130 130 THR CA C 152 59.501 61.404 -1.903 1
1 1106 . 5 1 1 A 130 130 THR CB C 152 71.244 70.638 0.606 1
1 1108 . 5 1 1 A 130 130 THR N N 152 108.224 110.842 -2.618 1
1 1109 . 5 1 1 A 131 131 GLN H H 153 8.765 8.556 0.209 1
1 1110 . 5 1 1 A 131 131 GLN HA H 153 3.664 3.366 0.298 1
1 1117 . 5 1 1 A 131 131 GLN CA C 153 57.614 58.226 -0.612 1
1 1118 . 5 1 1 A 131 131 GLN CB C 153 28.738 28.870 -0.132 1
1 1120 . 5 1 1 A 131 131 GLN N N 153 119.385 120.476 -1.091 1
1 1122 . 5 1 1 A 132 132 THR H H 154 7.242 7.649 -0.407 1
1 1123 . 5 1 1 A 132 132 THR HA H 154 4.309 4.679 -0.370 1
1 1128 . 5 1 1 A 132 132 THR CA C 154 60.406 59.361 1.045 1
1 1129 . 5 1 1 A 132 132 THR CB C 154 70.006 70.751 -0.745 1
1 1131 . 5 1 1 A 132 132 THR N N 154 108.689 112.691 -4.002 1
1 1132 . 5 1 1 A 133 133 LEU H H 155 8.608 8.216 0.392 1
1 1133 . 5 1 1 A 133 133 LEU HA H 155 4.631 5.161 -0.530 1
1 1143 . 5 1 1 A 133 133 LEU CA C 155 53.415 52.847 0.568 1
1 1144 . 5 1 1 A 133 133 LEU CB C 155 44.570 45.444 -0.874 1
1 1148 . 5 1 1 A 133 133 LEU N N 155 124.560 120.643 3.917 1
1 1149 . 5 1 1 A 134 134 LYS H H 156 8.157 8.870 -0.713 1
1 1150 . 5 1 1 A 134 134 LYS HA H 156 4.374 4.483 -0.109 1
1 1156 . 5 1 1 A 134 134 LYS CA C 156 56.031 55.023 1.008 1
1 1157 . 5 1 1 A 134 134 LYS CB C 156 33.505 33.990 -0.485 1
1 1161 . 5 1 1 A 134 134 LYS N N 156 123.852 121.307 2.545 1
1 1162 . 5 1 1 A 135 135 ASP H H 157 8.974 9.144 -0.170 1
1 1163 . 5 1 1 A 135 135 ASP HA H 157 4.143 4.126 0.017 1
1 1165 . 5 1 1 A 135 135 ASP CA C 157 58.252 57.169 1.083 1
1 1166 . 5 1 1 A 135 135 ASP CB C 157 39.857 40.220 -0.363 1
1 1167 . 5 1 1 A 135 135 ASP N N 157 124.197 125.309 -1.112 1
1 1168 . 5 1 1 A 136 136 GLU H H 158 9.287 8.044 1.243 1
1 1169 . 5 1 1 A 136 136 GLU HA H 158 4.141 4.103 0.038 1
1 1173 . 5 1 1 A 136 136 GLU CA C 158 59.348 58.820 0.528 1
1 1174 . 5 1 1 A 136 136 GLU CB C 158 28.638 30.255 -1.617 1
1 1176 . 5 1 1 A 136 136 GLU N N 158 117.885 118.903 -1.018 1
1 1177 . 5 1 1 A 137 137 LEU H H 159 7.246 8.306 -1.060 1
1 1178 . 5 1 1 A 137 137 LEU HA H 159 4.053 4.117 -0.064 1
1 1187 . 5 1 1 A 137 137 LEU CA C 159 56.663 57.365 -0.702 1
1 1188 . 5 1 1 A 137 137 LEU CB C 159 41.666 41.231 0.435 1
1 1192 . 5 1 1 A 137 137 LEU N N 159 119.393 120.372 -0.979 1
1 1193 . 5 1 1 A 138 138 LYS H H 160 7.383 9.996 -2.613 1
1 1194 . 5 1 1 A 138 138 LYS HA H 160 3.997 3.965 0.032 1
1 1200 . 5 1 1 A 138 138 LYS CA C 160 60.416 59.014 1.402 1
1 1201 . 5 1 1 A 138 138 LYS CB C 160 31.478 31.704 -0.226 1
1 1205 . 5 1 1 A 138 138 LYS N N 160 119.612 121.897 -2.285 1
1 1206 . 5 1 1 A 139 139 GLU H H 161 7.978 8.435 -0.457 1
1 1207 . 5 1 1 A 139 139 GLU HA H 161 4.176 4.512 -0.336 1
1 1211 . 5 1 1 A 139 139 GLU CA C 161 59.139 59.213 -0.074 1
1 1212 . 5 1 1 A 139 139 GLU CB C 161 28.417 29.545 -1.128 1
1 1214 . 5 1 1 A 139 139 GLU N N 161 119.510 119.337 0.173 1
1 1215 . 5 1 1 A 140 140 LYS H H 162 7.860 7.702 0.158 1
1 1216 . 5 1 1 A 140 140 LYS HA H 162 4.089 4.109 -0.020 1
1 1225 . 5 1 1 A 140 140 LYS CA C 162 59.541 58.643 0.898 1
1 1226 . 5 1 1 A 140 140 LYS CB C 162 32.078 32.022 0.056 1
1 1230 . 5 1 1 A 140 140 LYS N N 162 120.614 120.274 0.340 1
1 1231 . 5 1 1 A 141 141 PHE H H 163 8.548 7.941 0.607 1
1 1232 . 5 1 1 A 141 141 PHE HA H 163 4.444 4.268 0.176 1
1 1235 . 5 1 1 A 141 141 PHE CA C 163 61.551 61.019 0.532 1
1 1236 . 5 1 1 A 141 141 PHE CB C 163 39.975 39.350 0.625 1
1 1237 . 5 1 1 A 141 141 PHE N N 163 119.075 121.961 -2.886 1
1 1238 . 5 1 1 A 142 142 THR H H 164 8.791 7.896 0.895 1
1 1239 . 5 1 1 A 142 142 THR HA H 164 3.721 4.027 -0.306 1
1 1244 . 5 1 1 A 142 142 THR CA C 164 67.495 65.569 1.926 1
1 1245 . 5 1 1 A 142 142 THR CB C 164 68.330 68.373 -0.043 1
1 1247 . 5 1 1 A 142 142 THR N N 164 120.224 113.318 6.906 1
1 1248 . 5 1 1 A 143 143 THR H H 165 8.536 8.749 -0.213 1
1 1249 . 5 1 1 A 143 143 THR HA H 165 3.764 3.916 -0.152 1
1 1254 . 5 1 1 A 143 143 THR CA C 165 66.989 66.840 0.149 1
1 1255 . 5 1 1 A 143 143 THR CB C 165 68.641 68.609 0.032 1
1 1257 . 5 1 1 A 143 143 THR N N 165 118.456 117.796 0.660 1
1 1258 . 5 1 1 A 144 144 PHE H H 166 8.264 8.165 0.099 1
1 1259 . 5 1 1 A 144 144 PHE HA H 166 4.207 4.107 0.100 1
1 1264 . 5 1 1 A 144 144 PHE CA C 166 61.233 61.831 -0.598 1
1 1265 . 5 1 1 A 144 144 PHE CB C 166 39.772 39.017 0.755 1
1 1266 . 5 1 1 A 144 144 PHE N N 166 122.676 122.041 0.635 1
1 1267 . 5 1 1 A 145 145 SER H H 167 8.077 7.994 0.083 1
1 1268 . 5 1 1 A 145 145 SER HA H 167 3.283 3.732 -0.449 1
1 1270 . 5 1 1 A 145 145 SER CA C 167 64.031 62.523 1.508 1
1 1271 . 5 1 1 A 145 145 SER CB C 167 62.339 62.543 -0.204 1
1 1272 . 5 1 1 A 145 145 SER N N 167 115.714 116.598 -0.884 1
1 1273 . 5 1 1 A 146 146 LYS H H 168 8.000 7.485 0.515 1
1 1274 . 5 1 1 A 146 146 LYS HA H 168 4.434 4.269 0.165 1
1 1278 . 5 1 1 A 146 146 LYS CA C 168 58.915 58.508 0.407 1
1 1279 . 5 1 1 A 146 146 LYS CB C 168 32.022 32.191 -0.169 1
1 1283 . 5 1 1 A 146 146 LYS N N 168 121.529 121.681 -0.152 1
1 1284 . 5 1 1 A 147 147 ALA H H 169 7.726 7.747 -0.021 1
1 1285 . 5 1 1 A 147 147 ALA HA H 169 4.079 4.022 0.057 1
1 1289 . 5 1 1 A 147 147 ALA CA C 169 54.255 54.691 -0.436 1
1 1290 . 5 1 1 A 147 147 ALA CB C 169 17.264 18.088 -0.824 1
1 1291 . 5 1 1 A 147 147 ALA N N 169 123.249 121.842 1.407 1
1 1292 . 5 1 1 A 148 148 GLN H H 170 7.058 7.340 -0.282 1
1 1293 . 5 1 1 A 148 148 GLN HA H 170 4.139 4.173 -0.034 1
1 1299 . 5 1 1 A 148 148 GLN CA C 170 53.091 56.029 -2.938 1
1 1300 . 5 1 1 A 148 148 GLN CB C 170 26.931 28.925 -1.994 1
1 1302 . 5 1 1 A 148 148 GLN N N 170 113.952 115.413 -1.461 1
1 1304 . 5 1 1 A 149 149 GLY H H 171 7.651 7.797 -0.146 1
1 1305 . 5 1 1 A 149 149 GLY HA2 H 171 3.650 3.930 -0.280 1
1 1306 . 5 1 1 A 149 149 GLY HA3 H 171 4.076 3.937 0.139 1
1 1307 . 5 1 1 A 149 149 GLY CA C 171 45.335 45.449 -0.114 1
1 1308 . 5 1 1 A 149 149 GLY N N 171 106.210 107.470 -1.260 1
1 1309 . 5 1 1 A 150 150 LEU H H 172 7.395 7.555 -0.160 1
1 1310 . 5 1 1 A 150 150 LEU HA H 172 4.543 4.794 -0.251 1
1 1319 . 5 1 1 A 150 150 LEU CA C 172 53.499 53.279 0.220 1
1 1320 . 5 1 1 A 150 150 LEU CB C 172 40.838 45.458 -4.620 1
1 1324 . 5 1 1 A 150 150 LEU N N 172 120.964 120.795 0.169 1
1 1325 . 5 1 1 A 151 151 THR H H 173 8.270 8.715 -0.445 1
1 1326 . 5 1 1 A 151 151 THR HA H 173 4.515 4.699 -0.184 1
1 1331 . 5 1 1 A 151 151 THR CA C 173 60.236 61.207 -0.971 1
1 1332 . 5 1 1 A 151 151 THR CB C 173 71.307 70.512 0.795 1
1 1334 . 5 1 1 A 151 151 THR N N 173 110.762 116.766 -6.004 1
1 1335 . 5 1 1 A 152 152 GLU H H 174 9.041 9.036 0.005 1
1 1336 . 5 1 1 A 152 152 GLU HA H 174 3.908 3.898 0.010 1
1 1340 . 5 1 1 A 152 152 GLU CA C 174 60.190 59.310 0.880 1
1 1341 . 5 1 1 A 152 152 GLU CB C 174 28.823 29.717 -0.894 1
1 1343 . 5 1 1 A 152 152 GLU N N 174 118.629 124.080 -5.451 1
1 1344 . 5 1 1 A 153 153 GLU H H 175 8.200 8.875 -0.675 1
1 1345 . 5 1 1 A 153 153 GLU HA H 175 4.222 4.096 0.126 1
1 1349 . 5 1 1 A 153 153 GLU CA C 175 58.093 58.588 -0.495 1
1 1350 . 5 1 1 A 153 153 GLU CB C 175 28.697 28.393 0.304 1
1 1352 . 5 1 1 A 153 153 GLU N N 175 115.885 116.963 -1.078 1
1 1353 . 5 1 1 A 154 154 ASP H H 176 7.833 7.687 0.146 1
1 1354 . 5 1 1 A 154 154 ASP HA H 176 4.873 4.779 0.094 1
1 1357 . 5 1 1 A 154 154 ASP CA C 176 53.936 53.936 0.000 1
1 1358 . 5 1 1 A 154 154 ASP CB C 176 41.470 41.708 -0.238 1
1 1359 . 5 1 1 A 154 154 ASP N N 176 118.196 118.450 -0.254 1
1 1360 . 5 1 1 A 155 155 ILE H H 177 7.007 7.467 -0.460 1
1 1361 . 5 1 1 A 155 155 ILE HA H 177 4.367 4.621 -0.254 1
1 1369 . 5 1 1 A 155 155 ILE CA C 177 61.493 59.428 2.065 1
1 1370 . 5 1 1 A 155 155 ILE CB C 177 40.374 41.005 -0.631 1
1 1374 . 5 1 1 A 155 155 ILE N N 177 117.852 121.190 -3.338 1
1 1375 . 5 1 1 A 156 156 VAL H H 178 9.203 8.768 0.435 1
1 1376 . 5 1 1 A 156 156 VAL HA H 178 4.544 4.597 -0.053 1
1 1381 . 5 1 1 A 156 156 VAL CA C 178 60.448 60.865 -0.417 1
1 1382 . 5 1 1 A 156 156 VAL CB C 178 36.233 35.381 0.852 1
1 1384 . 5 1 1 A 156 156 VAL N N 178 126.166 125.203 0.963 1
1 1385 . 5 1 1 A 157 157 PHE H H 179 8.718 8.866 -0.148 1
1 1386 . 5 1 1 A 157 157 PHE HA H 179 5.010 5.072 -0.062 1
1 1391 . 5 1 1 A 157 157 PHE CA C 179 58.363 56.986 1.377 1
1 1392 . 5 1 1 A 157 157 PHE CB C 179 38.344 39.607 -1.263 1
1 1394 . 5 1 1 A 157 157 PHE N N 179 124.905 126.088 -1.183 1
1 1395 . 5 1 1 A 158 158 LEU H H 180 7.459 8.647 -1.188 1
1 1396 . 5 1 1 A 158 158 LEU HA H 180 4.402 4.538 -0.136 1
1 1397 . 5 1 1 A 158 158 LEU CA C 180 53.074 53.696 -0.622 1
1 1398 . 5 1 1 A 158 158 LEU CB C 180 41.738 41.112 0.626 1
1 1399 . 5 1 1 A 158 158 LEU N N 180 125.466 126.174 -0.708 1
1 1400 . 5 1 1 A 159 159 PRO HA H 181 4.771 4.521 0.250 1
1 1401 . 5 1 1 A 159 159 PRO CA C 181 61.916 62.752 -0.836 1
1 1402 . 5 1 1 A 159 159 PRO CB C 181 32.363 33.038 -0.675 1
1 1405 . 5 1 1 A 161 161 PRO HA H 183 4.666 4.623 0.043 1
1 1409 . 5 1 1 A 161 161 PRO CA C 183 62.292 63.087 -0.795 1
1 1410 . 5 1 1 A 161 161 PRO CB C 183 33.337 33.012 0.325 1
1 1412 . 5 1 1 A 162 162 ASP H H 184 8.449 8.937 -0.488 1
1 1413 . 5 1 1 A 162 162 ASP HA H 184 4.467 5.087 -0.620 1
1 1416 . 5 1 1 A 162 162 ASP CA C 184 54.064 54.221 -0.157 1
1 1417 . 5 1 1 A 162 162 ASP CB C 184 39.919 42.280 -2.361 1
1 1418 . 5 1 1 A 162 162 ASP N N 184 117.032 121.845 -4.813 1
1 1419 . 5 1 1 A 163 163 LYS H H 185 7.195 8.858 -1.663 1
1 1420 . 5 1 1 A 163 163 LYS HA H 185 4.588 4.635 -0.047 1
1 1426 . 5 1 1 A 163 163 LYS CA C 185 55.499 55.244 0.255 1
1 1427 . 5 1 1 A 163 163 LYS CB C 185 35.558 31.914 3.644 1
1 1431 . 5 1 1 A 163 163 LYS N N 185 115.300 120.625 -5.325 1
1 1432 . 5 1 1 A 164 164 CYS H H 186 8.427 8.645 -0.218 1
1 1433 . 5 1 1 A 164 164 CYS HA H 186 4.313 4.522 -0.209 1
1 1436 . 5 1 1 A 164 164 CYS CA C 186 57.607 58.173 -0.566 1
1 1437 . 5 1 1 A 164 164 CYS CB C 186 35.042 42.086 -7.044 1
1 1438 . 5 1 1 A 164 164 CYS N N 186 107.133 120.954 -13.821 1
1 1439 . 5 1 1 A 165 165 ILE H H 187 7.881 7.613 0.268 1
1 1440 . 5 1 1 A 165 165 ILE HA H 187 4.549 4.398 0.151 1
1 1450 . 5 1 1 A 165 165 ILE CA C 187 61.529 61.768 -0.239 1
1 1451 . 5 1 1 A 165 165 ILE CB C 187 39.748 38.690 1.058 1
1 1455 . 5 1 1 A 165 165 ILE N N 187 113.570 112.548 1.022 1
1 1456 . 5 1 1 A 166 166 GLN H H 188 8.308 7.636 0.672 1
1 1457 . 5 1 1 A 166 166 GLN HA H 188 4.303 4.090 0.213 1
1 1462 . 5 1 1 A 166 166 GLN CA C 188 56.928 56.290 0.638 1
1 1463 . 5 1 1 A 166 166 GLN CB C 188 28.637 29.999 -1.362 1
1 1465 . 5 1 1 A 166 166 GLN N N 188 122.915 123.090 -0.175 1
1 3 . 6 1 1 A 2 2 SER H H 24 8.695 8.581 0.114 1
1 4 . 6 1 1 A 2 2 SER HA H 24 4.531 4.393 0.138 1
1 6 . 6 1 1 A 2 2 SER CA C 24 58.296 57.786 0.510 1
1 7 . 6 1 1 A 2 2 SER CB C 24 63.897 64.084 -0.187 1
1 8 . 6 1 1 A 2 2 SER N N 24 115.751 118.783 -3.032 1
1 9 . 6 1 1 A 3 3 GLN H H 25 8.618 8.735 -0.117 1
1 10 . 6 1 1 A 3 3 GLN HA H 25 4.367 3.997 0.370 1
1 14 . 6 1 1 A 3 3 GLN CA C 25 56.059 56.727 -0.668 1
1 15 . 6 1 1 A 3 3 GLN CB C 25 29.248 27.457 1.791 1
1 17 . 6 1 1 A 3 3 GLN N N 25 122.346 123.375 -1.029 1
1 18 . 6 1 1 A 4 4 GLY H H 26 8.431 8.223 0.208 1
1 19 . 6 1 1 A 4 4 GLY HA2 H 26 3.904 3.986 -0.082 1
1 20 . 6 1 1 A 4 4 GLY CA C 26 45.171 46.074 -0.903 1
1 21 . 6 1 1 A 4 4 GLY N N 26 109.885 111.781 -1.896 1
1 22 . 6 1 1 A 5 5 HIS H H 27 8.342 8.047 0.295 1
1 23 . 6 1 1 A 5 5 HIS HA H 27 4.750 4.217 0.533 1
1 27 . 6 1 1 A 5 5 HIS CA C 27 54.946 56.126 -1.180 1
1 28 . 6 1 1 A 5 5 HIS CB C 27 29.344 28.028 1.316 1
1 30 . 6 1 1 A 5 5 HIS N N 27 117.765 114.462 3.303 1
1 31 . 6 1 1 A 6 6 ASP H H 28 8.518 8.218 0.300 1
1 32 . 6 1 1 A 6 6 ASP HA H 28 4.735 5.010 -0.275 1
1 35 . 6 1 1 A 6 6 ASP CA C 28 54.282 53.420 0.862 1
1 36 . 6 1 1 A 6 6 ASP CB C 28 41.098 43.773 -2.675 1
1 37 . 6 1 1 A 6 6 ASP N N 28 121.910 120.473 1.437 1
1 38 . 6 1 1 A 7 7 THR H H 29 8.250 8.663 -0.413 1
1 39 . 6 1 1 A 7 7 THR HA H 29 4.343 4.317 0.026 1
1 44 . 6 1 1 A 7 7 THR CA C 29 62.124 64.963 -2.839 1
1 45 . 6 1 1 A 7 7 THR CB C 29 69.861 69.125 0.736 1
1 47 . 6 1 1 A 7 7 THR N N 29 116.925 118.647 -1.722 1
1 48 . 6 1 1 A 8 8 VAL H H 30 7.798 7.855 -0.057 1
1 49 . 6 1 1 A 8 8 VAL HA H 30 4.369 4.717 -0.348 1
1 54 . 6 1 1 A 8 8 VAL CA C 30 60.171 60.442 -0.271 1
1 55 . 6 1 1 A 8 8 VAL CB C 30 34.758 35.578 -0.820 1
1 57 . 6 1 1 A 8 8 VAL N N 30 119.837 119.554 0.283 1
1 58 . 6 1 1 A 9 9 GLN H H 31 8.472 8.733 -0.261 1
1 59 . 6 1 1 A 9 9 GLN HA H 31 4.383 4.892 -0.509 1
1 63 . 6 1 1 A 9 9 GLN CA C 31 53.204 52.130 1.074 1
1 64 . 6 1 1 A 9 9 GLN CB C 31 29.785 29.849 -0.064 1
1 66 . 6 1 1 A 9 9 GLN N N 31 127.192 126.351 0.841 1
1 68 . 6 1 1 A 10 10 PRO HA H 32 4.426 4.572 -0.146 1
1 73 . 6 1 1 A 10 10 PRO CA C 32 63.431 62.160 1.271 1
1 74 . 6 1 1 A 10 10 PRO CB C 32 32.297 30.765 1.532 1
1 77 . 6 1 1 A 11 11 ASN H H 33 8.972 7.956 1.016 1
1 78 . 6 1 1 A 11 11 ASN HA H 33 4.539 4.956 -0.417 1
1 83 . 6 1 1 A 11 11 ASN CA C 33 53.563 52.245 1.318 1
1 84 . 6 1 1 A 11 11 ASN CB C 33 37.923 38.404 -0.481 1
1 85 . 6 1 1 A 11 11 ASN N N 33 119.013 117.255 1.758 1
1 87 . 6 1 1 A 12 12 PHE H H 34 7.996 8.160 -0.164 1
1 88 . 6 1 1 A 12 12 PHE HA H 34 4.186 5.111 -0.925 1
1 91 . 6 1 1 A 12 12 PHE CA C 34 59.402 57.467 1.935 1
1 92 . 6 1 1 A 12 12 PHE CB C 34 39.516 40.741 -1.225 1
1 93 . 6 1 1 A 12 12 PHE N N 34 119.073 121.097 -2.024 1
1 94 . 6 1 1 A 13 13 GLN H H 35 7.402 8.897 -1.495 1
1 95 . 6 1 1 A 13 13 GLN HA H 35 4.303 4.637 -0.334 1
1 101 . 6 1 1 A 13 13 GLN CA C 35 53.093 55.570 -2.477 1
1 102 . 6 1 1 A 13 13 GLN CB C 35 29.598 29.967 -0.369 1
1 104 . 6 1 1 A 13 13 GLN N N 35 128.226 123.567 4.659 1
1 106 . 6 1 1 A 14 14 GLN H H 36 8.736 8.882 -0.146 1
1 107 . 6 1 1 A 14 14 GLN HA H 36 3.503 3.912 -0.409 1
1 110 . 6 1 1 A 14 14 GLN CA C 36 60.089 59.206 0.883 1
1 111 . 6 1 1 A 14 14 GLN CB C 36 29.596 28.298 1.298 1
1 113 . 6 1 1 A 14 14 GLN N N 36 124.702 120.225 4.477 1
1 114 . 6 1 1 A 15 15 ASP H H 37 8.628 8.070 0.558 1
1 115 . 6 1 1 A 15 15 ASP HA H 37 4.229 4.483 -0.254 1
1 118 . 6 1 1 A 15 15 ASP CA C 37 56.326 57.052 -0.726 1
1 119 . 6 1 1 A 15 15 ASP CB C 37 39.182 40.129 -0.947 1
1 120 . 6 1 1 A 15 15 ASP N N 37 114.027 119.761 -5.734 1
1 121 . 6 1 1 A 16 16 LYS H H 38 6.859 7.988 -1.129 1
1 122 . 6 1 1 A 16 16 LYS HA H 38 4.060 4.138 -0.078 1
1 124 . 6 1 1 A 16 16 LYS CA C 38 56.445 58.614 -2.169 1
1 125 . 6 1 1 A 16 16 LYS CB C 38 31.077 32.158 -1.081 1
1 129 . 6 1 1 A 16 16 LYS N N 38 116.638 120.296 -3.658 1
1 130 . 6 1 1 A 17 17 PHE H H 39 7.454 7.970 -0.516 1
1 131 . 6 1 1 A 17 17 PHE HA H 39 4.822 4.342 0.480 1
1 135 . 6 1 1 A 17 17 PHE CA C 39 57.301 60.470 -3.169 1
1 136 . 6 1 1 A 17 17 PHE CB C 39 42.087 39.476 2.611 1
1 137 . 6 1 1 A 17 17 PHE N N 39 119.221 117.520 1.701 1
1 138 . 6 1 1 A 18 18 LEU H H 40 6.674 7.677 -1.003 1
1 139 . 6 1 1 A 18 18 LEU HA H 40 3.911 5.438 -1.527 1
1 149 . 6 1 1 A 18 18 LEU CA C 40 54.860 53.626 1.234 1
1 150 . 6 1 1 A 18 18 LEU CB C 40 42.421 44.228 -1.807 1
1 154 . 6 1 1 A 18 18 LEU N N 40 112.003 115.510 -3.507 1
1 155 . 6 1 1 A 19 19 GLY H H 41 8.876 8.546 0.330 1
1 156 . 6 1 1 A 19 19 GLY HA2 H 41 3.718 4.028 -0.310 1
1 157 . 6 1 1 A 19 19 GLY HA3 H 41 4.341 4.131 0.210 1
1 158 . 6 1 1 A 19 19 GLY CA C 41 44.093 45.582 -1.489 1
1 159 . 6 1 1 A 19 19 GLY N N 41 107.870 108.381 -0.511 1
1 160 . 6 1 1 A 20 20 ARG H H 42 8.678 8.254 0.424 1
1 161 . 6 1 1 A 20 20 ARG HA H 42 4.495 4.578 -0.083 1
1 163 . 6 1 1 A 20 20 ARG CA C 42 56.924 55.856 1.068 1
1 164 . 6 1 1 A 20 20 ARG CB C 42 30.828 31.432 -0.604 1
1 165 . 6 1 1 A 20 20 ARG N N 42 121.873 120.035 1.838 1
1 166 . 6 1 1 A 21 21 TRP H H 43 9.320 9.439 -0.119 1
1 167 . 6 1 1 A 21 21 TRP HA H 43 4.685 5.233 -0.548 1
1 171 . 6 1 1 A 21 21 TRP CA C 43 55.343 56.013 -0.670 1
1 172 . 6 1 1 A 21 21 TRP CB C 43 34.550 33.040 1.510 1
1 174 . 6 1 1 A 21 21 TRP N N 43 130.676 122.728 7.948 1
1 176 . 6 1 1 A 22 22 TYR H H 44 9.661 9.263 0.398 1
1 177 . 6 1 1 A 22 22 TYR HA H 44 5.607 5.055 0.552 1
1 182 . 6 1 1 A 22 22 TYR CA C 44 56.782 56.654 0.128 1
1 183 . 6 1 1 A 22 22 TYR CB C 44 39.975 41.584 -1.609 1
1 186 . 6 1 1 A 22 22 TYR N N 44 117.926 120.851 -2.925 1
1 187 . 6 1 1 A 23 23 SER H H 45 9.249 8.440 0.809 1
1 188 . 6 1 1 A 23 23 SER HA H 45 4.705 4.825 -0.120 1
1 191 . 6 1 1 A 23 23 SER CA C 45 57.060 60.231 -3.171 1
1 192 . 6 1 1 A 23 23 SER CB C 45 62.668 63.532 -0.864 1
1 193 . 6 1 1 A 23 23 SER N N 45 119.038 121.221 -2.183 1
1 194 . 6 1 1 A 24 24 ALA H H 46 8.724 8.467 0.257 1
1 195 . 6 1 1 A 24 24 ALA HA H 46 4.877 4.612 0.265 1
1 199 . 6 1 1 A 24 24 ALA CA C 46 51.953 51.104 0.849 1
1 200 . 6 1 1 A 24 24 ALA CB C 46 22.855 22.436 0.419 1
1 201 . 6 1 1 A 24 24 ALA N N 46 126.183 128.004 -1.821 1
1 202 . 6 1 1 A 25 25 GLY H H 47 7.820 8.374 -0.554 1
1 203 . 6 1 1 A 25 25 GLY HA2 H 47 2.841 2.717 0.124 1
1 204 . 6 1 1 A 25 25 GLY HA3 H 47 4.943 3.266 1.677 1
1 205 . 6 1 1 A 25 25 GLY CA C 47 45.285 45.626 -0.341 1
1 206 . 6 1 1 A 25 25 GLY N N 47 107.738 107.247 0.491 1
1 207 . 6 1 1 A 26 26 LEU H H 48 9.082 7.511 1.571 1
1 208 . 6 1 1 A 26 26 LEU HA H 48 5.454 4.778 0.676 1
1 217 . 6 1 1 A 26 26 LEU CA C 48 54.277 53.230 1.047 1
1 218 . 6 1 1 A 26 26 LEU CB C 48 49.097 45.161 3.936 1
1 222 . 6 1 1 A 26 26 LEU N N 48 125.132 125.880 -0.748 1
1 223 . 6 1 1 A 27 27 ALA H H 49 8.854 8.323 0.531 1
1 224 . 6 1 1 A 27 27 ALA HA H 49 5.571 5.372 0.199 1
1 228 . 6 1 1 A 27 27 ALA CA C 49 50.788 51.150 -0.362 1
1 229 . 6 1 1 A 27 27 ALA CB C 49 24.289 22.462 1.827 1
1 230 . 6 1 1 A 27 27 ALA N N 49 123.650 125.013 -1.363 1
1 231 . 6 1 1 A 28 28 SER H H 50 7.321 8.671 -1.350 1
1 232 . 6 1 1 A 28 28 SER HA H 50 4.625 5.078 -0.453 1
1 235 . 6 1 1 A 28 28 SER CA C 50 56.119 56.162 -0.043 1
1 236 . 6 1 1 A 28 28 SER CB C 50 64.886 65.772 -0.886 1
1 237 . 6 1 1 A 28 28 SER N N 50 113.858 117.450 -3.592 1
1 238 . 6 1 1 A 29 29 ASN H H 51 7.743 8.628 -0.885 1
1 239 . 6 1 1 A 29 29 ASN HA H 51 4.809 4.764 0.045 1
1 244 . 6 1 1 A 29 29 ASN CA C 51 51.651 56.147 -4.496 1
1 245 . 6 1 1 A 29 29 ASN CB C 51 37.860 39.005 -1.145 1
1 246 . 6 1 1 A 29 29 ASN N N 51 120.399 123.027 -2.628 1
1 248 . 6 1 1 A 30 30 SER H H 52 8.156 8.152 0.004 1
1 249 . 6 1 1 A 30 30 SER HA H 52 4.460 4.987 -0.527 1
1 252 . 6 1 1 A 30 30 SER CA C 52 58.432 58.023 0.409 1
1 253 . 6 1 1 A 30 30 SER CB C 52 64.745 65.379 -0.634 1
1 254 . 6 1 1 A 30 30 SER N N 52 116.012 108.845 7.167 1
1 255 . 6 1 1 A 31 31 SER H H 53 9.142 8.640 0.502 1
1 256 . 6 1 1 A 31 31 SER HA H 53 4.003 4.234 -0.231 1
1 258 . 6 1 1 A 31 31 SER N N 53 120.999 115.504 5.495 1
1 259 . 6 1 1 A 32 32 TRP H H 54 8.030 8.303 -0.273 1
1 260 . 6 1 1 A 32 32 TRP HA H 54 4.329 4.345 -0.016 1
1 265 . 6 1 1 A 32 32 TRP CA C 54 60.082 60.634 -0.552 1
1 266 . 6 1 1 A 32 32 TRP CB C 54 28.641 30.105 -1.464 1
1 268 . 6 1 1 A 32 32 TRP N N 54 121.477 120.561 0.916 1
1 270 . 6 1 1 A 33 33 PHE H H 55 7.333 8.432 -1.099 1
1 271 . 6 1 1 A 33 33 PHE HA H 55 3.603 4.314 -0.711 1
1 275 . 6 1 1 A 33 33 PHE CA C 55 61.288 60.603 0.685 1
1 276 . 6 1 1 A 33 33 PHE CB C 55 39.446 37.794 1.652 1
1 278 . 6 1 1 A 33 33 PHE N N 55 120.174 118.143 2.031 1
1 279 . 6 1 1 A 34 34 ARG H H 56 7.860 7.099 0.761 1
1 280 . 6 1 1 A 34 34 ARG HA H 56 3.721 3.857 -0.136 1
1 285 . 6 1 1 A 34 34 ARG CA C 56 59.457 59.702 -0.245 1
1 286 . 6 1 1 A 34 34 ARG CB C 56 30.014 29.282 0.732 1
1 289 . 6 1 1 A 34 34 ARG N N 56 117.452 120.464 -3.012 1
1 290 . 6 1 1 A 35 35 GLU H H 57 7.715 8.443 -0.728 1
1 291 . 6 1 1 A 35 35 GLU HA H 57 4.100 3.997 0.103 1
1 295 . 6 1 1 A 35 35 GLU CA C 57 57.997 58.516 -0.519 1
1 296 . 6 1 1 A 35 35 GLU CB C 57 29.970 29.349 0.621 1
1 298 . 6 1 1 A 35 35 GLU N N 57 116.049 119.600 -3.551 1
1 299 . 6 1 1 A 36 36 LYS H H 58 7.614 7.663 -0.049 1
1 300 . 6 1 1 A 36 36 LYS HA H 58 4.225 4.209 0.016 1
1 305 . 6 1 1 A 36 36 LYS CA C 58 55.355 56.587 -1.232 1
1 306 . 6 1 1 A 36 36 LYS CB C 58 32.528 32.672 -0.144 1
1 310 . 6 1 1 A 36 36 LYS N N 58 116.955 118.193 -1.238 1
1 311 . 6 1 1 A 37 37 LYS H H 59 7.546 7.962 -0.416 1
1 312 . 6 1 1 A 37 37 LYS HA H 59 3.403 4.052 -0.649 1
1 315 . 6 1 1 A 37 37 LYS CA C 59 59.757 58.536 1.221 1
1 316 . 6 1 1 A 37 37 LYS CB C 59 31.569 32.061 -0.492 1
1 320 . 6 1 1 A 37 37 LYS N N 59 118.551 121.287 -2.736 1
1 321 . 6 1 1 A 38 38 ALA H H 60 7.940 7.228 0.712 1
1 322 . 6 1 1 A 38 38 ALA HA H 60 4.215 4.115 0.100 1
1 326 . 6 1 1 A 38 38 ALA CA C 60 53.352 54.372 -1.020 1
1 327 . 6 1 1 A 38 38 ALA CB C 60 19.247 18.050 1.197 1
1 328 . 6 1 1 A 38 38 ALA N N 60 118.227 120.695 -2.468 1
1 329 . 6 1 1 A 39 39 VAL H H 61 7.917 7.189 0.728 1
1 330 . 6 1 1 A 39 39 VAL HA H 61 4.466 4.155 0.311 1
1 338 . 6 1 1 A 39 39 VAL CA C 61 60.339 64.316 -3.977 1
1 339 . 6 1 1 A 39 39 VAL CB C 61 31.626 32.595 -0.969 1
1 342 . 6 1 1 A 39 39 VAL N N 61 111.011 110.917 0.094 1
1 343 . 6 1 1 A 40 40 LEU H H 62 6.773 8.524 -1.751 1
1 344 . 6 1 1 A 40 40 LEU HA H 62 4.495 3.849 0.646 1
1 350 . 6 1 1 A 40 40 LEU CA C 62 54.357 55.339 -0.982 1
1 351 . 6 1 1 A 40 40 LEU CB C 62 43.272 40.713 2.559 1
1 353 . 6 1 1 A 40 40 LEU N N 62 121.749 120.104 1.645 1
1 354 . 6 1 1 A 41 41 TYR H H 63 8.277 7.361 0.916 1
1 355 . 6 1 1 A 41 41 TYR HA H 63 4.837 5.420 -0.583 1
1 358 . 6 1 1 A 41 41 TYR CA C 63 56.696 55.492 1.204 1
1 359 . 6 1 1 A 41 41 TYR CB C 63 42.753 41.497 1.256 1
1 360 . 6 1 1 A 41 41 TYR N N 63 118.215 117.814 0.401 1
1 361 . 6 1 1 A 42 42 MET H H 64 8.749 9.021 -0.272 1
1 362 . 6 1 1 A 42 42 MET HA H 64 4.324 5.350 -1.026 1
1 368 . 6 1 1 A 42 42 MET CA C 64 57.707 54.375 3.332 1
1 369 . 6 1 1 A 42 42 MET CB C 64 35.348 35.899 -0.551 1
1 372 . 6 1 1 A 42 42 MET N N 64 122.104 121.054 1.050 1
1 373 . 6 1 1 A 43 43 ALA H H 65 7.715 9.255 -1.540 1
1 374 . 6 1 1 A 43 43 ALA HA H 65 5.260 5.504 -0.244 1
1 378 . 6 1 1 A 43 43 ALA CA C 65 50.030 50.060 -0.030 1
1 379 . 6 1 1 A 43 43 ALA CB C 65 22.614 22.224 0.390 1
1 380 . 6 1 1 A 43 43 ALA N N 65 126.545 127.884 -1.339 1
1 381 . 6 1 1 A 44 44 LYS H H 66 8.405 9.441 -1.036 1
1 382 . 6 1 1 A 44 44 LYS HA H 66 4.790 4.574 0.216 1
1 385 . 6 1 1 A 44 44 LYS CA C 66 55.700 55.359 0.341 1
1 386 . 6 1 1 A 44 44 LYS CB C 66 34.887 33.049 1.838 1
1 387 . 6 1 1 A 44 44 LYS N N 66 122.330 122.220 0.110 1
1 388 . 6 1 1 A 45 45 THR H H 67 9.398 8.823 0.575 1
1 389 . 6 1 1 A 45 45 THR HA H 67 5.067 5.352 -0.285 1
1 394 . 6 1 1 A 45 45 THR CA C 67 62.069 61.915 0.154 1
1 395 . 6 1 1 A 45 45 THR CB C 67 72.034 70.493 1.541 1
1 397 . 6 1 1 A 45 45 THR N N 67 125.471 120.580 4.891 1
1 398 . 6 1 1 A 46 46 VAL H H 68 9.026 8.461 0.565 1
1 399 . 6 1 1 A 46 46 VAL HA H 68 4.510 5.114 -0.604 1
1 404 . 6 1 1 A 46 46 VAL CA C 68 61.532 61.126 0.406 1
1 405 . 6 1 1 A 46 46 VAL CB C 68 33.257 34.739 -1.482 1
1 407 . 6 1 1 A 46 46 VAL N N 68 126.960 125.855 1.105 1
1 408 . 6 1 1 A 47 47 VAL H H 69 9.346 8.838 0.508 1
1 409 . 6 1 1 A 47 47 VAL HA H 69 4.700 4.524 0.176 1
1 417 . 6 1 1 A 47 47 VAL CA C 69 61.990 61.498 0.492 1
1 418 . 6 1 1 A 47 47 VAL CB C 69 32.495 32.442 0.053 1
1 421 . 6 1 1 A 47 47 VAL N N 69 130.792 129.021 1.771 1
1 422 . 6 1 1 A 48 48 ALA H H 70 9.268 8.639 0.629 1
1 423 . 6 1 1 A 48 48 ALA HA H 70 5.121 4.798 0.323 1
1 427 . 6 1 1 A 48 48 ALA CA C 70 49.710 49.229 0.481 1
1 428 . 6 1 1 A 48 48 ALA CB C 70 21.349 21.680 -0.331 1
1 429 . 6 1 1 A 48 48 ALA N N 70 133.796 129.752 4.044 1
1 430 . 6 1 1 A 49 49 PRO HA H 71 4.842 4.921 -0.079 1
1 433 . 6 1 1 A 49 49 PRO CA C 71 63.040 63.426 -0.386 1
1 434 . 6 1 1 A 49 49 PRO CB C 71 32.195 32.014 0.181 1
1 437 . 6 1 1 A 50 50 SER H H 72 8.025 9.069 -1.044 1
1 438 . 6 1 1 A 50 50 SER HA H 72 4.914 4.930 -0.016 1
1 441 . 6 1 1 A 50 50 SER CA C 72 55.615 56.261 -0.646 1
1 442 . 6 1 1 A 50 50 SER CB C 72 65.439 66.518 -1.079 1
1 443 . 6 1 1 A 50 50 SER N N 72 117.492 114.975 2.517 1
1 444 . 6 1 1 A 51 51 THR H H 73 8.730 9.073 -0.343 1
1 445 . 6 1 1 A 51 51 THR HA H 73 4.145 4.155 -0.010 1
1 450 . 6 1 1 A 51 51 THR CA C 73 64.544 65.134 -0.590 1
1 451 . 6 1 1 A 51 51 THR CB C 73 68.785 68.589 0.196 1
1 453 . 6 1 1 A 51 51 THR N N 73 116.878 116.495 0.383 1
1 454 . 6 1 1 A 52 52 GLU H H 74 8.151 7.709 0.442 1
1 455 . 6 1 1 A 52 52 GLU HA H 74 4.475 4.382 0.093 1
1 459 . 6 1 1 A 52 52 GLU CA C 74 56.422 56.272 0.150 1
1 460 . 6 1 1 A 52 52 GLU CB C 74 28.860 30.197 -1.337 1
1 462 . 6 1 1 A 52 52 GLU N N 74 118.204 119.397 -1.193 1
1 463 . 6 1 1 A 53 53 GLY H H 75 7.778 8.752 -0.974 1
1 464 . 6 1 1 A 53 53 GLY HA2 H 75 3.864 3.939 -0.075 1
1 465 . 6 1 1 A 53 53 GLY HA3 H 75 4.446 3.942 0.504 1
1 466 . 6 1 1 A 53 53 GLY CA C 75 45.501 45.802 -0.301 1
1 467 . 6 1 1 A 53 53 GLY N N 75 106.348 108.801 -2.453 1
1 468 . 6 1 1 A 54 54 GLY H H 76 7.775 7.936 -0.161 1
1 469 . 6 1 1 A 54 54 GLY HA2 H 76 4.177 4.159 0.018 1
1 470 . 6 1 1 A 54 54 GLY HA3 H 76 4.677 4.178 0.499 1
1 471 . 6 1 1 A 54 54 GLY CA C 76 43.906 45.041 -1.135 1
1 472 . 6 1 1 A 54 54 GLY N N 76 108.460 107.641 0.819 1
1 473 . 6 1 1 A 55 55 LEU H H 77 8.311 8.124 0.187 1
1 474 . 6 1 1 A 55 55 LEU HA H 77 5.116 5.401 -0.285 1
1 477 . 6 1 1 A 55 55 LEU CA C 77 53.425 53.135 0.290 1
1 478 . 6 1 1 A 55 55 LEU CB C 77 47.604 45.718 1.886 1
1 479 . 6 1 1 A 55 55 LEU N N 77 120.236 122.252 -2.016 1
1 480 . 6 1 1 A 56 56 ASN H H 78 9.424 9.894 -0.470 1
1 481 . 6 1 1 A 56 56 ASN HA H 78 5.149 5.292 -0.143 1
1 485 . 6 1 1 A 56 56 ASN CA C 78 52.316 51.992 0.324 1
1 486 . 6 1 1 A 56 56 ASN CB C 78 40.839 39.762 1.077 1
1 487 . 6 1 1 A 56 56 ASN N N 78 120.305 121.887 -1.582 1
1 489 . 6 1 1 A 57 57 LEU H H 79 9.259 8.214 1.045 1
1 490 . 6 1 1 A 57 57 LEU HA H 79 4.903 5.600 -0.697 1
1 491 . 6 1 1 A 57 57 LEU CA C 79 54.713 53.926 0.787 1
1 492 . 6 1 1 A 57 57 LEU CB C 79 42.533 42.223 0.310 1
1 493 . 6 1 1 A 57 57 LEU N N 79 127.309 123.569 3.740 1
1 494 . 6 1 1 A 58 58 THR H H 80 8.973 9.355 -0.382 1
1 495 . 6 1 1 A 58 58 THR HA H 80 4.941 4.977 -0.036 1
1 500 . 6 1 1 A 58 58 THR CA C 80 62.501 61.783 0.718 1
1 501 . 6 1 1 A 58 58 THR CB C 80 68.984 69.726 -0.742 1
1 503 . 6 1 1 A 58 58 THR N N 80 122.763 120.971 1.792 1
1 504 . 6 1 1 A 59 59 SER H H 81 9.549 8.822 0.727 1
1 505 . 6 1 1 A 59 59 SER HA H 81 6.045 5.911 0.134 1
1 507 . 6 1 1 A 59 59 SER CA C 81 57.242 56.591 0.651 1
1 508 . 6 1 1 A 59 59 SER CB C 81 65.536 64.681 0.855 1
1 509 . 6 1 1 A 59 59 SER N N 81 126.425 121.408 5.017 1
1 510 . 6 1 1 A 60 60 THR H H 82 9.332 9.151 0.181 1
1 511 . 6 1 1 A 60 60 THR HA H 82 5.464 5.207 0.257 1
1 516 . 6 1 1 A 60 60 THR CA C 82 61.719 60.323 1.396 1
1 517 . 6 1 1 A 60 60 THR CB C 82 70.846 70.834 0.012 1
1 519 . 6 1 1 A 60 60 THR N N 82 121.445 115.549 5.896 1
1 520 . 6 1 1 A 61 61 PHE H H 83 8.794 8.410 0.384 1
1 521 . 6 1 1 A 61 61 PHE HA H 83 5.266 6.655 -1.389 1
1 525 . 6 1 1 A 61 61 PHE CA C 83 54.698 55.073 -0.375 1
1 526 . 6 1 1 A 61 61 PHE CB C 83 42.327 42.587 -0.260 1
1 528 . 6 1 1 A 61 61 PHE N N 83 121.707 119.723 1.984 1
1 529 . 6 1 1 A 62 62 LEU H H 84 8.915 8.480 0.435 1
1 530 . 6 1 1 A 62 62 LEU HA H 84 4.885 5.476 -0.591 1
1 540 . 6 1 1 A 62 62 LEU CA C 84 54.447 53.721 0.726 1
1 541 . 6 1 1 A 62 62 LEU CB C 84 43.627 44.910 -1.283 1
1 545 . 6 1 1 A 62 62 LEU N N 84 122.160 122.907 -0.747 1
1 546 . 6 1 1 A 63 63 ARG H H 85 9.213 9.183 0.030 1
1 547 . 6 1 1 A 63 63 ARG HA H 85 4.645 5.028 -0.383 1
1 551 . 6 1 1 A 63 63 ARG CA C 85 56.244 54.988 1.256 1
1 552 . 6 1 1 A 63 63 ARG CB C 85 32.551 32.093 0.458 1
1 555 . 6 1 1 A 63 63 ARG N N 85 128.889 125.957 2.932 1
1 556 . 6 1 1 A 64 64 LYS H H 86 9.466 9.534 -0.068 1
1 557 . 6 1 1 A 64 64 LYS HA H 86 3.869 3.976 -0.107 1
1 563 . 6 1 1 A 64 64 LYS CA C 86 58.497 57.525 0.972 1
1 564 . 6 1 1 A 64 64 LYS CB C 86 30.202 30.859 -0.657 1
1 568 . 6 1 1 A 64 64 LYS N N 86 127.634 119.609 8.025 1
1 569 . 6 1 1 A 65 65 ASN H H 87 8.648 8.638 0.010 1
1 570 . 6 1 1 A 65 65 ASN HA H 87 4.500 4.294 0.206 1
1 575 . 6 1 1 A 65 65 ASN CA C 87 54.059 54.580 -0.521 1
1 576 . 6 1 1 A 65 65 ASN CB C 87 38.861 37.339 1.522 1
1 577 . 6 1 1 A 65 65 ASN N N 87 113.645 109.381 4.264 1
1 579 . 6 1 1 A 66 66 GLN H H 88 8.009 7.569 0.440 1
1 580 . 6 1 1 A 66 66 GLN HA H 88 4.720 4.725 -0.005 1
1 586 . 6 1 1 A 66 66 GLN CA C 88 53.951 54.510 -0.559 1
1 587 . 6 1 1 A 66 66 GLN CB C 88 32.360 31.019 1.341 1
1 589 . 6 1 1 A 66 66 GLN N N 88 118.506 115.652 2.854 1
1 591 . 6 1 1 A 67 67 CYS H H 89 8.712 9.040 -0.328 1
1 592 . 6 1 1 A 67 67 CYS HA H 89 5.398 5.316 0.082 1
1 595 . 6 1 1 A 67 67 CYS CA C 89 52.821 54.389 -1.568 1
1 596 . 6 1 1 A 67 67 CYS CB C 89 36.780 44.834 -8.054 1
1 597 . 6 1 1 A 67 67 CYS N N 89 119.694 123.294 -3.600 1
1 598 . 6 1 1 A 68 68 GLU H H 90 9.083 8.131 0.952 1
1 599 . 6 1 1 A 68 68 GLU HA H 90 4.568 4.817 -0.249 1
1 603 . 6 1 1 A 68 68 GLU CA C 90 54.905 54.771 0.134 1
1 604 . 6 1 1 A 68 68 GLU CB C 90 33.372 33.268 0.104 1
1 606 . 6 1 1 A 68 68 GLU N N 90 126.906 125.329 1.577 1
1 607 . 6 1 1 A 69 69 THR H H 91 8.233 8.342 -0.109 1
1 608 . 6 1 1 A 69 69 THR HA H 91 5.721 4.962 0.759 1
1 613 . 6 1 1 A 69 69 THR CA C 91 60.732 60.937 -0.205 1
1 614 . 6 1 1 A 69 69 THR CB C 91 71.796 71.403 0.393 1
1 616 . 6 1 1 A 69 69 THR N N 91 115.413 120.377 -4.964 1
1 617 . 6 1 1 A 70 70 LYS H H 92 9.232 8.616 0.616 1
1 618 . 6 1 1 A 70 70 LYS HA H 92 4.847 4.824 0.023 1
1 624 . 6 1 1 A 70 70 LYS CA C 92 54.766 54.897 -0.131 1
1 625 . 6 1 1 A 70 70 LYS CB C 92 36.982 36.090 0.892 1
1 629 . 6 1 1 A 70 70 LYS N N 92 125.378 126.662 -1.284 1
1 630 . 6 1 1 A 71 71 ILE H H 93 8.751 8.943 -0.192 1
1 631 . 6 1 1 A 71 71 ILE HA H 93 5.101 4.668 0.433 1
1 641 . 6 1 1 A 71 71 ILE CA C 93 60.391 60.046 0.345 1
1 642 . 6 1 1 A 71 71 ILE CB C 93 40.534 39.373 1.161 1
1 646 . 6 1 1 A 71 71 ILE N N 93 124.290 128.099 -3.809 1
1 647 . 6 1 1 A 72 72 MET H H 94 9.003 8.663 0.340 1
1 648 . 6 1 1 A 72 72 MET HA H 94 4.775 5.029 -0.254 1
1 651 . 6 1 1 A 72 72 MET CA C 94 54.673 54.575 0.098 1
1 652 . 6 1 1 A 72 72 MET CB C 94 36.889 35.443 1.446 1
1 654 . 6 1 1 A 72 72 MET N N 94 127.651 127.070 0.581 1
1 655 . 6 1 1 A 73 73 VAL H H 95 8.607 9.286 -0.679 1
1 656 . 6 1 1 A 73 73 VAL HA H 95 4.740 4.746 -0.006 1
1 661 . 6 1 1 A 73 73 VAL CA C 95 62.080 61.738 0.342 1
1 662 . 6 1 1 A 73 73 VAL CB C 95 33.333 33.167 0.166 1
1 664 . 6 1 1 A 73 73 VAL N N 95 125.436 126.333 -0.897 1
1 665 . 6 1 1 A 74 74 LEU H H 96 9.278 8.806 0.472 1
1 666 . 6 1 1 A 74 74 LEU HA H 96 5.089 5.224 -0.135 1
1 668 . 6 1 1 A 74 74 LEU CA C 96 53.117 52.801 0.316 1
1 669 . 6 1 1 A 74 74 LEU CB C 96 42.342 43.592 -1.250 1
1 670 . 6 1 1 A 74 74 LEU N N 96 127.760 128.080 -0.320 1
1 671 . 6 1 1 A 75 75 GLN H H 97 9.280 8.754 0.526 1
1 672 . 6 1 1 A 75 75 GLN HA H 97 5.018 4.959 0.059 1
1 675 . 6 1 1 A 75 75 GLN CA C 97 53.326 53.480 -0.154 1
1 676 . 6 1 1 A 75 75 GLN CB C 97 29.255 29.962 -0.707 1
1 678 . 6 1 1 A 75 75 GLN N N 97 125.135 123.147 1.988 1
1 679 . 6 1 1 A 76 76 PRO HA H 98 4.407 4.763 -0.356 1
1 682 . 6 1 1 A 76 76 PRO CA C 98 64.216 62.782 1.434 1
1 683 . 6 1 1 A 76 76 PRO CB C 98 32.365 32.415 -0.050 1
1 684 . 6 1 1 A 77 77 ALA H H 99 8.021 8.454 -0.433 1
1 685 . 6 1 1 A 77 77 ALA HA H 99 4.691 4.605 0.086 1
1 689 . 6 1 1 A 77 77 ALA CA C 99 50.927 51.260 -0.333 1
1 690 . 6 1 1 A 77 77 ALA CB C 99 20.003 18.811 1.192 1
1 691 . 6 1 1 A 77 77 ALA N N 99 126.607 126.383 0.224 1
1 692 . 6 1 1 A 78 78 GLY H H 100 8.185 8.207 -0.022 1
1 693 . 6 1 1 A 78 78 GLY HA2 H 100 3.560 3.872 -0.312 1
1 694 . 6 1 1 A 78 78 GLY HA3 H 100 4.211 3.875 0.336 1
1 695 . 6 1 1 A 78 78 GLY CA C 100 45.692 47.351 -1.659 1
1 696 . 6 1 1 A 78 78 GLY N N 100 109.388 107.923 1.465 1
1 697 . 6 1 1 A 79 79 ALA H H 101 8.074 7.749 0.325 1
1 698 . 6 1 1 A 79 79 ALA HA H 101 4.624 4.547 0.077 1
1 702 . 6 1 1 A 79 79 ALA CA C 101 50.576 50.686 -0.110 1
1 703 . 6 1 1 A 79 79 ALA CB C 101 18.277 19.206 -0.929 1
1 704 . 6 1 1 A 79 79 ALA N N 101 126.934 126.142 0.792 1
1 705 . 6 1 1 A 80 80 PRO HA H 102 4.425 4.287 0.138 1
1 707 . 6 1 1 A 80 80 PRO CA C 102 63.915 63.641 0.274 1
1 708 . 6 1 1 A 80 80 PRO CB C 102 32.093 31.862 0.231 1
1 711 . 6 1 1 A 81 81 GLY H H 103 8.227 9.104 -0.877 1
1 712 . 6 1 1 A 81 81 GLY HA2 H 103 2.428 4.128 -1.700 1
1 713 . 6 1 1 A 81 81 GLY HA3 H 103 3.673 4.337 -0.664 1
1 714 . 6 1 1 A 81 81 GLY CA C 103 44.671 45.554 -0.883 1
1 715 . 6 1 1 A 81 81 GLY N N 103 111.362 111.944 -0.582 1
1 716 . 6 1 1 A 82 82 HIS H H 104 7.610 7.420 0.190 1
1 717 . 6 1 1 A 82 82 HIS HA H 104 5.169 4.579 0.590 1
1 721 . 6 1 1 A 82 82 HIS CA C 104 54.457 54.582 -0.125 1
1 722 . 6 1 1 A 82 82 HIS CB C 104 29.867 31.249 -1.382 1
1 724 . 6 1 1 A 82 82 HIS N N 104 117.393 114.372 3.021 1
1 725 . 6 1 1 A 83 83 TYR H H 105 9.164 7.916 1.248 1
1 726 . 6 1 1 A 83 83 TYR HA H 105 5.465 5.504 -0.039 1
1 730 . 6 1 1 A 83 83 TYR CA C 105 56.894 55.634 1.260 1
1 731 . 6 1 1 A 83 83 TYR CB C 105 44.686 41.742 2.944 1
1 733 . 6 1 1 A 83 83 TYR N N 105 122.473 117.415 5.058 1
1 734 . 6 1 1 A 84 84 THR H H 106 9.475 9.496 -0.021 1
1 735 . 6 1 1 A 84 84 THR HA H 106 5.439 5.400 0.039 1
1 740 . 6 1 1 A 84 84 THR CA C 106 60.469 60.322 0.147 1
1 741 . 6 1 1 A 84 84 THR CB C 106 72.344 71.515 0.829 1
1 743 . 6 1 1 A 84 84 THR N N 106 112.202 112.351 -0.149 1
1 744 . 6 1 1 A 85 85 TYR H H 107 8.723 8.873 -0.150 1
1 745 . 6 1 1 A 85 85 TYR HA H 107 5.239 5.391 -0.152 1
1 749 . 6 1 1 A 85 85 TYR CA C 107 56.392 56.606 -0.214 1
1 750 . 6 1 1 A 85 85 TYR CB C 107 41.653 42.087 -0.434 1
1 751 . 6 1 1 A 85 85 TYR N N 107 118.519 127.181 -8.662 1
1 752 . 6 1 1 A 86 86 SER H H 108 8.509 9.072 -0.563 1
1 753 . 6 1 1 A 86 86 SER HA H 108 4.564 4.988 -0.424 1
1 755 . 6 1 1 A 86 86 SER CA C 108 56.420 56.296 0.124 1
1 756 . 6 1 1 A 86 86 SER CB C 108 63.939 64.157 -0.218 1
1 757 . 6 1 1 A 86 86 SER N N 108 120.384 123.219 -2.835 1
1 758 . 6 1 1 A 87 87 SER H H 109 8.155 8.347 -0.192 1
1 759 . 6 1 1 A 87 87 SER HA H 109 4.519 4.270 0.249 1
1 762 . 6 1 1 A 87 87 SER CA C 109 56.046 56.670 -0.624 1
1 763 . 6 1 1 A 87 87 SER CB C 109 63.145 63.308 -0.163 1
1 764 . 6 1 1 A 87 87 SER N N 109 120.949 122.238 -1.289 1
1 765 . 6 1 1 A 88 88 PRO HA H 110 4.287 4.620 -0.333 1
1 767 . 6 1 1 A 88 88 PRO CA C 110 64.081 62.476 1.605 1
1 768 . 6 1 1 A 88 88 PRO CB C 110 32.049 29.115 2.934 1
1 771 . 6 1 1 A 89 89 HIS H H 111 8.535 8.343 0.192 1
1 772 . 6 1 1 A 89 89 HIS HA H 111 4.421 4.707 -0.286 1
1 774 . 6 1 1 A 89 89 HIS CA C 111 56.683 57.370 -0.687 1
1 775 . 6 1 1 A 89 89 HIS CB C 111 27.859 30.735 -2.876 1
1 776 . 6 1 1 A 89 89 HIS N N 111 115.372 121.926 -6.554 1
1 777 . 6 1 1 A 90 90 SER H H 112 8.012 7.997 0.015 1
1 778 . 6 1 1 A 90 90 SER HA H 112 4.422 4.429 -0.007 1
1 781 . 6 1 1 A 90 90 SER CA C 112 58.586 58.636 -0.050 1
1 782 . 6 1 1 A 90 90 SER CB C 112 64.405 63.911 0.494 1
1 783 . 6 1 1 A 90 90 SER N N 112 112.865 112.616 0.249 1
1 784 . 6 1 1 A 91 91 GLY H H 113 8.239 7.936 0.303 1
1 785 . 6 1 1 A 91 91 GLY HA2 H 113 3.911 3.914 -0.003 1
1 786 . 6 1 1 A 91 91 GLY HA3 H 113 3.966 3.916 0.050 1
1 787 . 6 1 1 A 91 91 GLY CA C 113 45.627 46.399 -0.772 1
1 788 . 6 1 1 A 91 91 GLY N N 113 110.848 111.049 -0.201 1
1 789 . 6 1 1 A 92 92 SER H H 114 7.757 7.891 -0.134 1
1 790 . 6 1 1 A 92 92 SER HA H 114 4.518 4.690 -0.172 1
1 792 . 6 1 1 A 92 92 SER CA C 114 58.132 57.400 0.732 1
1 793 . 6 1 1 A 92 92 SER CB C 114 64.340 65.690 -1.350 1
1 794 . 6 1 1 A 92 92 SER N N 114 114.404 114.407 -0.003 1
1 795 . 6 1 1 A 93 93 ILE H H 115 8.456 8.670 -0.214 1
1 796 . 6 1 1 A 93 93 ILE HA H 115 4.412 4.647 -0.235 1
1 806 . 6 1 1 A 93 93 ILE CA C 115 60.573 60.244 0.329 1
1 807 . 6 1 1 A 93 93 ILE CB C 115 39.061 40.600 -1.539 1
1 811 . 6 1 1 A 93 93 ILE N N 115 124.873 122.699 2.174 1
1 812 . 6 1 1 A 94 94 HIS H H 116 8.994 8.860 0.134 1
1 813 . 6 1 1 A 94 94 HIS HA H 116 5.309 5.281 0.028 1
1 814 . 6 1 1 A 94 94 HIS CA C 116 53.919 54.464 -0.545 1
1 815 . 6 1 1 A 94 94 HIS CB C 116 27.883 31.713 -3.830 1
1 816 . 6 1 1 A 94 94 HIS N N 116 125.591 126.657 -1.066 1
1 817 . 6 1 1 A 95 95 SER H H 117 9.153 8.958 0.195 1
1 818 . 6 1 1 A 95 95 SER HA H 117 5.101 5.074 0.027 1
1 820 . 6 1 1 A 95 95 SER CA C 117 57.114 58.119 -1.005 1
1 821 . 6 1 1 A 95 95 SER CB C 117 64.430 64.358 0.072 1
1 822 . 6 1 1 A 95 95 SER N N 117 117.598 120.701 -3.103 1
1 823 . 6 1 1 A 96 96 VAL H H 118 9.055 8.868 0.187 1
1 824 . 6 1 1 A 96 96 VAL HA H 118 5.009 4.910 0.099 1
1 828 . 6 1 1 A 96 96 VAL CA C 118 61.453 59.634 1.819 1
1 829 . 6 1 1 A 96 96 VAL CB C 118 35.098 34.395 0.703 1
1 831 . 6 1 1 A 96 96 VAL N N 118 126.585 120.965 5.620 1
1 832 . 6 1 1 A 97 97 SER H H 119 9.032 8.625 0.407 1
1 833 . 6 1 1 A 97 97 SER HA H 119 5.543 5.123 0.420 1
1 835 . 6 1 1 A 97 97 SER CA C 119 56.290 57.370 -1.080 1
1 836 . 6 1 1 A 97 97 SER CB C 119 65.799 65.311 0.488 1
1 837 . 6 1 1 A 97 97 SER N N 119 121.395 121.156 0.239 1
1 838 . 6 1 1 A 98 98 VAL H H 120 8.402 9.037 -0.635 1
1 839 . 6 1 1 A 98 98 VAL HA H 120 4.027 4.240 -0.213 1
1 847 . 6 1 1 A 98 98 VAL CA C 120 62.212 62.973 -0.761 1
1 848 . 6 1 1 A 98 98 VAL CB C 120 29.250 31.518 -2.268 1
1 851 . 6 1 1 A 98 98 VAL N N 120 124.771 125.981 -1.210 1
1 852 . 6 1 1 A 99 99 VAL H H 121 8.361 8.770 -0.409 1
1 853 . 6 1 1 A 99 99 VAL HA H 121 3.723 4.106 -0.383 1
1 858 . 6 1 1 A 99 99 VAL CA C 121 65.202 64.766 0.436 1
1 859 . 6 1 1 A 99 99 VAL CB C 121 32.718 32.640 0.078 1
1 861 . 6 1 1 A 99 99 VAL N N 121 128.844 127.562 1.282 1
1 862 . 6 1 1 A 100 100 GLU H H 122 7.188 7.963 -0.775 1
1 863 . 6 1 1 A 100 100 GLU HA H 122 4.726 5.155 -0.429 1
1 866 . 6 1 1 A 100 100 GLU CA C 122 54.951 55.605 -0.654 1
1 867 . 6 1 1 A 100 100 GLU CB C 122 34.111 33.944 0.167 1
1 868 . 6 1 1 A 100 100 GLU N N 122 113.832 118.653 -4.821 1
1 869 . 6 1 1 A 101 101 ALA H H 123 8.708 9.133 -0.425 1
1 870 . 6 1 1 A 101 101 ALA HA H 123 4.365 5.512 -1.147 1
1 874 . 6 1 1 A 101 101 ALA CA C 123 52.217 49.960 2.257 1
1 875 . 6 1 1 A 101 101 ALA CB C 123 21.568 22.802 -1.234 1
1 876 . 6 1 1 A 101 101 ALA N N 123 124.349 124.069 0.280 1
1 877 . 6 1 1 A 105 105 GLU HA H 127 3.719 4.648 -0.929 1
1 878 . 6 1 1 A 105 105 GLU CA C 127 59.422 58.090 1.332 1
1 879 . 6 1 1 A 105 105 GLU CB C 127 35.689 32.571 3.118 1
1 880 . 6 1 1 A 106 106 TYR H H 128 9.359 7.819 1.540 1
1 881 . 6 1 1 A 106 106 TYR HA H 128 6.292 5.095 1.197 1
1 885 . 6 1 1 A 106 106 TYR CA C 128 58.184 56.653 1.531 1
1 886 . 6 1 1 A 106 106 TYR CB C 128 42.417 40.313 2.104 1
1 889 . 6 1 1 A 106 106 TYR N N 128 118.441 114.727 3.714 1
1 890 . 6 1 1 A 107 107 ALA H H 129 9.057 8.988 0.069 1
1 891 . 6 1 1 A 107 107 ALA HA H 129 4.724 5.421 -0.697 1
1 895 . 6 1 1 A 107 107 ALA CA C 129 51.666 50.304 1.362 1
1 896 . 6 1 1 A 107 107 ALA CB C 129 22.720 22.250 0.470 1
1 897 . 6 1 1 A 107 107 ALA N N 129 120.309 123.040 -2.731 1
1 898 . 6 1 1 A 108 108 LEU H H 130 8.889 8.458 0.431 1
1 899 . 6 1 1 A 108 108 LEU HA H 130 5.191 5.178 0.013 1
1 908 . 6 1 1 A 108 108 LEU CA C 130 53.730 53.937 -0.207 1
1 909 . 6 1 1 A 108 108 LEU CB C 130 43.792 43.805 -0.013 1
1 912 . 6 1 1 A 108 108 LEU N N 130 122.798 124.574 -1.776 1
1 913 . 6 1 1 A 109 109 LEU H H 131 9.168 9.533 -0.365 1
1 914 . 6 1 1 A 109 109 LEU HA H 131 5.410 5.413 -0.003 1
1 924 . 6 1 1 A 109 109 LEU CA C 131 54.387 52.925 1.462 1
1 925 . 6 1 1 A 109 109 LEU CB C 131 45.159 46.320 -1.161 1
1 929 . 6 1 1 A 109 109 LEU N N 131 126.359 129.227 -2.868 1
1 930 . 6 1 1 A 110 110 PHE H H 132 9.150 8.596 0.554 1
1 931 . 6 1 1 A 110 110 PHE HA H 132 5.687 5.409 0.278 1
1 935 . 6 1 1 A 110 110 PHE CA C 132 56.501 56.019 0.482 1
1 936 . 6 1 1 A 110 110 PHE CB C 132 43.567 42.589 0.978 1
1 937 . 6 1 1 A 110 110 PHE N N 132 120.892 128.044 -7.152 1
1 938 . 6 1 1 A 111 111 SER H H 133 8.978 8.954 0.024 1
1 939 . 6 1 1 A 111 111 SER HA H 133 5.702 5.337 0.365 1
1 941 . 6 1 1 A 111 111 SER CA C 133 55.789 56.521 -0.732 1
1 942 . 6 1 1 A 111 111 SER CB C 133 65.521 64.915 0.606 1
1 943 . 6 1 1 A 111 111 SER N N 133 125.184 123.116 2.068 1
1 944 . 6 1 1 A 112 112 ARG H H 134 8.581 8.363 0.218 1
1 945 . 6 1 1 A 112 112 ARG HA H 134 5.151 5.246 -0.095 1
1 950 . 6 1 1 A 112 112 ARG CA C 134 53.502 54.425 -0.923 1
1 951 . 6 1 1 A 112 112 ARG CB C 134 34.324 34.406 -0.082 1
1 954 . 6 1 1 A 112 112 ARG N N 134 120.408 126.144 -5.736 1
1 955 . 6 1 1 A 113 113 GLY H H 135 8.195 8.556 -0.361 1
1 956 . 6 1 1 A 113 113 GLY HA2 H 135 4.108 4.430 -0.322 1
1 957 . 6 1 1 A 113 113 GLY HA3 H 135 4.342 4.512 -0.170 1
1 958 . 6 1 1 A 113 113 GLY CA C 135 45.735 45.263 0.472 1
1 959 . 6 1 1 A 113 113 GLY N N 135 108.687 110.064 -1.377 1
1 960 . 6 1 1 A 114 114 THR H H 136 8.437 9.078 -0.641 1
1 961 . 6 1 1 A 114 114 THR HA H 136 4.686 4.131 0.555 1
1 966 . 6 1 1 A 114 114 THR CA C 136 61.317 64.827 -3.510 1
1 967 . 6 1 1 A 114 114 THR CB C 136 70.640 69.361 1.279 1
1 969 . 6 1 1 A 114 114 THR N N 136 112.383 114.260 -1.877 1
1 970 . 6 1 1 A 115 115 LYS H H 137 8.042 8.060 -0.018 1
1 971 . 6 1 1 A 115 115 LYS HA H 137 4.457 3.973 0.484 1
1 976 . 6 1 1 A 115 115 LYS CA C 137 56.861 57.376 -0.515 1
1 977 . 6 1 1 A 115 115 LYS CB C 137 34.523 31.499 3.024 1
1 981 . 6 1 1 A 115 115 LYS N N 137 121.031 120.559 0.472 1
1 982 . 6 1 1 A 116 116 GLY H H 138 8.574 8.624 -0.050 1
1 983 . 6 1 1 A 116 116 GLY HA2 H 138 3.894 3.817 0.077 1
1 984 . 6 1 1 A 116 116 GLY HA3 H 138 4.566 3.821 0.745 1
1 985 . 6 1 1 A 116 116 GLY CA C 138 44.217 46.871 -2.654 1
1 986 . 6 1 1 A 116 116 GLY N N 138 112.843 107.825 5.018 1
1 987 . 6 1 1 A 117 117 PRO HA H 139 4.452 4.670 -0.218 1
1 992 . 6 1 1 A 117 117 PRO CA C 139 63.920 62.955 0.965 1
1 993 . 6 1 1 A 117 117 PRO CB C 139 31.786 30.648 1.138 1
1 996 . 6 1 1 A 118 118 GLY H H 140 8.835 7.927 0.908 1
1 997 . 6 1 1 A 118 118 GLY HA2 H 140 4.030 3.901 0.129 1
1 998 . 6 1 1 A 118 118 GLY HA3 H 140 4.187 3.907 0.280 1
1 999 . 6 1 1 A 118 118 GLY CA C 140 45.949 46.686 -0.737 1
1 1000 . 6 1 1 A 118 118 GLY N N 140 110.324 108.727 1.597 1
1 1001 . 6 1 1 A 119 119 GLN H H 141 8.062 8.046 0.016 1
1 1002 . 6 1 1 A 119 119 GLN HA H 141 4.067 4.475 -0.408 1
1 1005 . 6 1 1 A 119 119 GLN CA C 141 57.874 55.554 2.320 1
1 1006 . 6 1 1 A 119 119 GLN CB C 141 28.638 29.180 -0.542 1
1 1008 . 6 1 1 A 119 119 GLN N N 141 119.674 120.588 -0.914 1
1 1009 . 6 1 1 A 120 120 ASP H H 142 8.554 7.857 0.697 1
1 1010 . 6 1 1 A 120 120 ASP HA H 142 4.606 4.427 0.179 1
1 1012 . 6 1 1 A 120 120 ASP CA C 142 54.348 54.920 -0.572 1
1 1013 . 6 1 1 A 120 120 ASP CB C 142 40.529 39.291 1.238 1
1 1014 . 6 1 1 A 120 120 ASP N N 142 117.596 118.740 -1.144 1
1 1015 . 6 1 1 A 121 121 PHE H H 143 7.890 8.575 -0.685 1
1 1016 . 6 1 1 A 121 121 PHE HA H 143 4.477 4.646 -0.169 1
1 1021 . 6 1 1 A 121 121 PHE CA C 143 59.232 58.448 0.784 1
1 1022 . 6 1 1 A 121 121 PHE CB C 143 39.898 39.886 0.012 1
1 1025 . 6 1 1 A 121 121 PHE N N 143 122.226 124.489 -2.263 1
1 1026 . 6 1 1 A 122 122 ARG H H 144 7.956 8.520 -0.564 1
1 1027 . 6 1 1 A 122 122 ARG HA H 144 4.664 4.993 -0.329 1
1 1032 . 6 1 1 A 122 122 ARG CA C 144 54.337 54.082 0.255 1
1 1033 . 6 1 1 A 122 122 ARG CB C 144 34.705 33.458 1.247 1
1 1036 . 6 1 1 A 122 122 ARG N N 144 126.876 124.065 2.811 1
1 1037 . 6 1 1 A 123 123 MET H H 145 8.444 8.364 0.080 1
1 1038 . 6 1 1 A 123 123 MET HA H 145 5.157 4.839 0.318 1
1 1042 . 6 1 1 A 123 123 MET CA C 145 54.904 54.170 0.734 1
1 1043 . 6 1 1 A 123 123 MET CB C 145 37.618 36.660 0.958 1
1 1045 . 6 1 1 A 123 123 MET N N 145 121.767 120.741 1.026 1
1 1046 . 6 1 1 A 124 124 ALA H H 146 9.809 8.464 1.345 1
1 1047 . 6 1 1 A 124 124 ALA HA H 146 5.801 5.167 0.634 1
1 1051 . 6 1 1 A 124 124 ALA CA C 146 50.289 50.720 -0.431 1
1 1052 . 6 1 1 A 124 124 ALA CB C 146 22.630 22.185 0.445 1
1 1053 . 6 1 1 A 124 124 ALA N N 146 132.634 125.345 7.289 1
1 1054 . 6 1 1 A 125 125 THR H H 147 9.169 9.425 -0.256 1
1 1055 . 6 1 1 A 125 125 THR HA H 147 4.974 5.095 -0.121 1
1 1060 . 6 1 1 A 125 125 THR CA C 147 62.270 61.637 0.633 1
1 1061 . 6 1 1 A 125 125 THR CB C 147 71.431 71.183 0.248 1
1 1063 . 6 1 1 A 125 125 THR N N 147 118.001 117.257 0.744 1
1 1064 . 6 1 1 A 126 126 LEU H H 148 8.287 8.453 -0.166 1
1 1065 . 6 1 1 A 126 126 LEU HA H 148 4.994 4.972 0.022 1
1 1072 . 6 1 1 A 126 126 LEU CA C 148 52.917 53.592 -0.675 1
1 1073 . 6 1 1 A 126 126 LEU CB C 148 42.487 43.532 -1.045 1
1 1076 . 6 1 1 A 126 126 LEU N N 148 128.462 128.359 0.103 1
1 1077 . 6 1 1 A 127 127 TYR H H 149 9.352 8.555 0.797 1
1 1078 . 6 1 1 A 127 127 TYR HA H 149 5.745 4.857 0.888 1
1 1082 . 6 1 1 A 127 127 TYR CA C 149 55.277 59.164 -3.887 1
1 1083 . 6 1 1 A 127 127 TYR CB C 149 40.105 39.576 0.529 1
1 1085 . 6 1 1 A 127 127 TYR N N 149 127.854 127.331 0.523 1
1 1086 . 6 1 1 A 128 128 SER H H 150 9.808 8.081 1.727 1
1 1087 . 6 1 1 A 128 128 SER HA H 150 6.032 5.004 1.028 1
1 1090 . 6 1 1 A 128 128 SER CA C 150 55.349 56.450 -1.101 1
1 1091 . 6 1 1 A 128 128 SER CB C 150 66.028 64.928 1.100 1
1 1092 . 6 1 1 A 128 128 SER N N 150 113.673 118.146 -4.473 1
1 1093 . 6 1 1 A 129 129 ARG H H 151 8.667 8.959 -0.292 1
1 1094 . 6 1 1 A 129 129 ARG HA H 151 4.184 4.070 0.114 1
1 1096 . 6 1 1 A 129 129 ARG CA C 151 56.959 59.009 -2.050 1
1 1097 . 6 1 1 A 129 129 ARG CB C 151 31.553 30.262 1.291 1
1 1098 . 6 1 1 A 129 129 ARG N N 151 126.102 126.869 -0.767 1
1 1099 . 6 1 1 A 130 130 THR H H 152 8.244 7.682 0.562 1
1 1100 . 6 1 1 A 130 130 THR HA H 152 4.879 4.516 0.363 1
1 1105 . 6 1 1 A 130 130 THR CA C 152 59.501 59.668 -0.167 1
1 1106 . 6 1 1 A 130 130 THR CB C 152 71.244 71.581 -0.337 1
1 1108 . 6 1 1 A 130 130 THR N N 152 108.224 108.398 -0.174 1
1 1109 . 6 1 1 A 131 131 GLN H H 153 8.765 8.315 0.450 1
1 1110 . 6 1 1 A 131 131 GLN HA H 153 3.664 4.015 -0.351 1
1 1117 . 6 1 1 A 131 131 GLN CA C 153 57.614 54.864 2.750 1
1 1118 . 6 1 1 A 131 131 GLN CB C 153 28.738 28.073 0.665 1
1 1120 . 6 1 1 A 131 131 GLN N N 153 119.385 117.261 2.124 1
1 1122 . 6 1 1 A 132 132 THR H H 154 7.242 7.465 -0.223 1
1 1123 . 6 1 1 A 132 132 THR HA H 154 4.309 4.963 -0.654 1
1 1128 . 6 1 1 A 132 132 THR CA C 154 60.406 60.971 -0.565 1
1 1129 . 6 1 1 A 132 132 THR CB C 154 70.006 72.147 -2.141 1
1 1131 . 6 1 1 A 132 132 THR N N 154 108.689 114.901 -6.212 1
1 1132 . 6 1 1 A 133 133 LEU H H 155 8.608 9.010 -0.402 1
1 1133 . 6 1 1 A 133 133 LEU HA H 155 4.631 5.157 -0.526 1
1 1143 . 6 1 1 A 133 133 LEU CA C 155 53.415 52.776 0.639 1
1 1144 . 6 1 1 A 133 133 LEU CB C 155 44.570 44.897 -0.327 1
1 1148 . 6 1 1 A 133 133 LEU N N 155 124.560 124.280 0.280 1
1 1149 . 6 1 1 A 134 134 LYS H H 156 8.157 8.923 -0.766 1
1 1150 . 6 1 1 A 134 134 LYS HA H 156 4.374 4.456 -0.082 1
1 1156 . 6 1 1 A 134 134 LYS CA C 156 56.031 54.940 1.091 1
1 1157 . 6 1 1 A 134 134 LYS CB C 156 33.505 34.119 -0.614 1
1 1161 . 6 1 1 A 134 134 LYS N N 156 123.852 122.714 1.138 1
1 1162 . 6 1 1 A 135 135 ASP H H 157 8.974 8.951 0.023 1
1 1163 . 6 1 1 A 135 135 ASP HA H 157 4.143 4.100 0.043 1
1 1165 . 6 1 1 A 135 135 ASP CA C 157 58.252 56.353 1.899 1
1 1166 . 6 1 1 A 135 135 ASP CB C 157 39.857 39.809 0.048 1
1 1167 . 6 1 1 A 135 135 ASP N N 157 124.197 122.840 1.357 1
1 1168 . 6 1 1 A 136 136 GLU H H 158 9.287 7.832 1.455 1
1 1169 . 6 1 1 A 136 136 GLU HA H 158 4.141 4.079 0.062 1
1 1173 . 6 1 1 A 136 136 GLU CA C 158 59.348 58.865 0.483 1
1 1174 . 6 1 1 A 136 136 GLU CB C 158 28.638 29.467 -0.829 1
1 1176 . 6 1 1 A 136 136 GLU N N 158 117.885 119.824 -1.939 1
1 1177 . 6 1 1 A 137 137 LEU H H 159 7.246 7.955 -0.709 1
1 1178 . 6 1 1 A 137 137 LEU HA H 159 4.053 4.050 0.003 1
1 1187 . 6 1 1 A 137 137 LEU CA C 159 56.663 57.361 -0.698 1
1 1188 . 6 1 1 A 137 137 LEU CB C 159 41.666 41.411 0.255 1
1 1192 . 6 1 1 A 137 137 LEU N N 159 119.393 121.056 -1.663 1
1 1193 . 6 1 1 A 138 138 LYS H H 160 7.383 9.364 -1.981 1
1 1194 . 6 1 1 A 138 138 LYS HA H 160 3.997 3.175 0.822 1
1 1200 . 6 1 1 A 138 138 LYS CA C 160 60.416 58.624 1.792 1
1 1201 . 6 1 1 A 138 138 LYS CB C 160 31.478 31.323 0.155 1
1 1205 . 6 1 1 A 138 138 LYS N N 160 119.612 118.904 0.708 1
1 1206 . 6 1 1 A 139 139 GLU H H 161 7.978 8.106 -0.128 1
1 1207 . 6 1 1 A 139 139 GLU HA H 161 4.176 4.477 -0.301 1
1 1211 . 6 1 1 A 139 139 GLU CA C 161 59.139 59.176 -0.037 1
1 1212 . 6 1 1 A 139 139 GLU CB C 161 28.417 29.233 -0.816 1
1 1214 . 6 1 1 A 139 139 GLU N N 161 119.510 118.437 1.073 1
1 1215 . 6 1 1 A 140 140 LYS H H 162 7.860 7.716 0.144 1
1 1216 . 6 1 1 A 140 140 LYS HA H 162 4.089 4.077 0.012 1
1 1225 . 6 1 1 A 140 140 LYS CA C 162 59.541 59.063 0.478 1
1 1226 . 6 1 1 A 140 140 LYS CB C 162 32.078 32.090 -0.012 1
1 1230 . 6 1 1 A 140 140 LYS N N 162 120.614 119.295 1.319 1
1 1231 . 6 1 1 A 141 141 PHE H H 163 8.548 7.936 0.612 1
1 1232 . 6 1 1 A 141 141 PHE HA H 163 4.444 4.323 0.121 1
1 1235 . 6 1 1 A 141 141 PHE CA C 163 61.551 61.009 0.542 1
1 1236 . 6 1 1 A 141 141 PHE CB C 163 39.975 39.373 0.602 1
1 1237 . 6 1 1 A 141 141 PHE N N 163 119.075 120.568 -1.493 1
1 1238 . 6 1 1 A 142 142 THR H H 164 8.791 8.001 0.790 1
1 1239 . 6 1 1 A 142 142 THR HA H 164 3.721 4.354 -0.633 1
1 1244 . 6 1 1 A 142 142 THR CA C 164 67.495 65.884 1.611 1
1 1245 . 6 1 1 A 142 142 THR CB C 164 68.330 68.252 0.078 1
1 1247 . 6 1 1 A 142 142 THR N N 164 120.224 113.486 6.738 1
1 1248 . 6 1 1 A 143 143 THR H H 165 8.536 8.340 0.196 1
1 1249 . 6 1 1 A 143 143 THR HA H 165 3.764 3.917 -0.153 1
1 1254 . 6 1 1 A 143 143 THR CA C 165 66.989 66.825 0.164 1
1 1255 . 6 1 1 A 143 143 THR CB C 165 68.641 68.462 0.179 1
1 1257 . 6 1 1 A 143 143 THR N N 165 118.456 117.648 0.808 1
1 1258 . 6 1 1 A 144 144 PHE H H 166 8.264 7.961 0.303 1
1 1259 . 6 1 1 A 144 144 PHE HA H 166 4.207 4.040 0.167 1
1 1264 . 6 1 1 A 144 144 PHE CA C 166 61.233 61.881 -0.648 1
1 1265 . 6 1 1 A 144 144 PHE CB C 166 39.772 38.910 0.862 1
1 1266 . 6 1 1 A 144 144 PHE N N 166 122.676 121.995 0.681 1
1 1267 . 6 1 1 A 145 145 SER H H 167 8.077 8.576 -0.499 1
1 1268 . 6 1 1 A 145 145 SER HA H 167 3.283 3.903 -0.620 1
1 1270 . 6 1 1 A 145 145 SER CA C 167 64.031 61.403 2.628 1
1 1271 . 6 1 1 A 145 145 SER CB C 167 62.339 62.632 -0.293 1
1 1272 . 6 1 1 A 145 145 SER N N 167 115.714 114.071 1.643 1
1 1273 . 6 1 1 A 146 146 LYS H H 168 8.000 8.124 -0.124 1
1 1274 . 6 1 1 A 146 146 LYS HA H 168 4.434 4.373 0.061 1
1 1278 . 6 1 1 A 146 146 LYS CA C 168 58.915 58.920 -0.005 1
1 1279 . 6 1 1 A 146 146 LYS CB C 168 32.022 31.813 0.209 1
1 1283 . 6 1 1 A 146 146 LYS N N 168 121.529 119.222 2.307 1
1 1284 . 6 1 1 A 147 147 ALA H H 169 7.726 7.635 0.091 1
1 1285 . 6 1 1 A 147 147 ALA HA H 169 4.079 4.083 -0.004 1
1 1289 . 6 1 1 A 147 147 ALA CA C 169 54.255 53.960 0.295 1
1 1290 . 6 1 1 A 147 147 ALA CB C 169 17.264 18.585 -1.321 1
1 1291 . 6 1 1 A 147 147 ALA N N 169 123.249 121.337 1.912 1
1 1292 . 6 1 1 A 148 148 GLN H H 170 7.058 7.305 -0.247 1
1 1293 . 6 1 1 A 148 148 GLN HA H 170 4.139 4.291 -0.152 1
1 1299 . 6 1 1 A 148 148 GLN CA C 170 53.091 54.908 -1.817 1
1 1300 . 6 1 1 A 148 148 GLN CB C 170 26.931 28.976 -2.045 1
1 1302 . 6 1 1 A 148 148 GLN N N 170 113.952 116.646 -2.694 1
1 1304 . 6 1 1 A 149 149 GLY H H 171 7.651 7.791 -0.140 1
1 1305 . 6 1 1 A 149 149 GLY HA2 H 171 3.650 3.957 -0.307 1
1 1306 . 6 1 1 A 149 149 GLY HA3 H 171 4.076 3.982 0.094 1
1 1307 . 6 1 1 A 149 149 GLY CA C 171 45.335 46.027 -0.692 1
1 1308 . 6 1 1 A 149 149 GLY N N 171 106.210 108.791 -2.581 1
1 1309 . 6 1 1 A 150 150 LEU H H 172 7.395 8.241 -0.846 1
1 1310 . 6 1 1 A 150 150 LEU HA H 172 4.543 4.443 0.100 1
1 1319 . 6 1 1 A 150 150 LEU CA C 172 53.499 54.072 -0.573 1
1 1320 . 6 1 1 A 150 150 LEU CB C 172 40.838 42.556 -1.718 1
1 1324 . 6 1 1 A 150 150 LEU N N 172 120.964 115.597 5.367 1
1 1325 . 6 1 1 A 151 151 THR H H 173 8.270 8.607 -0.337 1
1 1326 . 6 1 1 A 151 151 THR HA H 173 4.515 4.721 -0.206 1
1 1331 . 6 1 1 A 151 151 THR CA C 173 60.236 61.338 -1.102 1
1 1332 . 6 1 1 A 151 151 THR CB C 173 71.307 70.088 1.219 1
1 1334 . 6 1 1 A 151 151 THR N N 173 110.762 114.484 -3.722 1
1 1335 . 6 1 1 A 152 152 GLU H H 174 9.041 9.023 0.018 1
1 1336 . 6 1 1 A 152 152 GLU HA H 174 3.908 4.134 -0.226 1
1 1340 . 6 1 1 A 152 152 GLU CA C 174 60.190 58.361 1.829 1
1 1341 . 6 1 1 A 152 152 GLU CB C 174 28.823 29.084 -0.261 1
1 1343 . 6 1 1 A 152 152 GLU N N 174 118.629 122.775 -4.146 1
1 1344 . 6 1 1 A 153 153 GLU H H 175 8.200 8.038 0.162 1
1 1345 . 6 1 1 A 153 153 GLU HA H 175 4.222 4.033 0.189 1
1 1349 . 6 1 1 A 153 153 GLU CA C 175 58.093 58.701 -0.608 1
1 1350 . 6 1 1 A 153 153 GLU CB C 175 28.697 29.598 -0.901 1
1 1352 . 6 1 1 A 153 153 GLU N N 175 115.885 120.504 -4.619 1
1 1353 . 6 1 1 A 154 154 ASP H H 176 7.833 7.514 0.319 1
1 1354 . 6 1 1 A 154 154 ASP HA H 176 4.873 4.767 0.106 1
1 1357 . 6 1 1 A 154 154 ASP CA C 176 53.936 53.779 0.157 1
1 1358 . 6 1 1 A 154 154 ASP CB C 176 41.470 42.095 -0.625 1
1 1359 . 6 1 1 A 154 154 ASP N N 176 118.196 116.732 1.464 1
1 1360 . 6 1 1 A 155 155 ILE H H 177 7.007 7.646 -0.639 1
1 1361 . 6 1 1 A 155 155 ILE HA H 177 4.367 4.747 -0.380 1
1 1369 . 6 1 1 A 155 155 ILE CA C 177 61.493 59.595 1.898 1
1 1370 . 6 1 1 A 155 155 ILE CB C 177 40.374 41.476 -1.102 1
1 1374 . 6 1 1 A 155 155 ILE N N 177 117.852 120.765 -2.913 1
1 1375 . 6 1 1 A 156 156 VAL H H 178 9.203 9.266 -0.063 1
1 1376 . 6 1 1 A 156 156 VAL HA H 178 4.544 4.697 -0.153 1
1 1381 . 6 1 1 A 156 156 VAL CA C 178 60.448 60.218 0.230 1
1 1382 . 6 1 1 A 156 156 VAL CB C 178 36.233 35.077 1.156 1
1 1384 . 6 1 1 A 156 156 VAL N N 178 126.166 123.550 2.616 1
1 1385 . 6 1 1 A 157 157 PHE H H 179 8.718 8.936 -0.218 1
1 1386 . 6 1 1 A 157 157 PHE HA H 179 5.010 4.933 0.077 1
1 1391 . 6 1 1 A 157 157 PHE CA C 179 58.363 56.807 1.556 1
1 1392 . 6 1 1 A 157 157 PHE CB C 179 38.344 39.528 -1.184 1
1 1394 . 6 1 1 A 157 157 PHE N N 179 124.905 128.064 -3.159 1
1 1395 . 6 1 1 A 158 158 LEU H H 180 7.459 8.734 -1.275 1
1 1396 . 6 1 1 A 158 158 LEU HA H 180 4.402 4.474 -0.072 1
1 1397 . 6 1 1 A 158 158 LEU CA C 180 53.074 53.250 -0.176 1
1 1398 . 6 1 1 A 158 158 LEU CB C 180 41.738 42.123 -0.385 1
1 1399 . 6 1 1 A 158 158 LEU N N 180 125.466 125.924 -0.458 1
1 1400 . 6 1 1 A 159 159 PRO HA H 181 4.771 4.704 0.067 1
1 1401 . 6 1 1 A 159 159 PRO CA C 181 61.916 62.398 -0.482 1
1 1402 . 6 1 1 A 159 159 PRO CB C 181 32.363 32.963 -0.600 1
1 1405 . 6 1 1 A 161 161 PRO HA H 183 4.666 4.792 -0.126 1
1 1409 . 6 1 1 A 161 161 PRO CA C 183 62.292 62.503 -0.211 1
1 1410 . 6 1 1 A 161 161 PRO CB C 183 33.337 33.348 -0.011 1
1 1412 . 6 1 1 A 162 162 ASP H H 184 8.449 8.631 -0.182 1
1 1413 . 6 1 1 A 162 162 ASP HA H 184 4.467 5.201 -0.734 1
1 1416 . 6 1 1 A 162 162 ASP CA C 184 54.064 53.309 0.755 1
1 1417 . 6 1 1 A 162 162 ASP CB C 184 39.919 41.912 -1.993 1
1 1418 . 6 1 1 A 162 162 ASP N N 184 117.032 119.824 -2.792 1
1 1419 . 6 1 1 A 163 163 LYS H H 185 7.195 8.510 -1.315 1
1 1420 . 6 1 1 A 163 163 LYS HA H 185 4.588 4.573 0.015 1
1 1426 . 6 1 1 A 163 163 LYS CA C 185 55.499 55.672 -0.173 1
1 1427 . 6 1 1 A 163 163 LYS CB C 185 35.558 31.436 4.122 1
1 1431 . 6 1 1 A 163 163 LYS N N 185 115.300 122.116 -6.816 1
1 1432 . 6 1 1 A 164 164 CYS H H 186 8.427 8.288 0.139 1
1 1433 . 6 1 1 A 164 164 CYS HA H 186 4.313 4.880 -0.567 1
1 1436 . 6 1 1 A 164 164 CYS CA C 186 57.607 55.342 2.265 1
1 1437 . 6 1 1 A 164 164 CYS CB C 186 35.042 43.550 -8.508 1
1 1438 . 6 1 1 A 164 164 CYS N N 186 107.133 125.035 -17.902 1
1 1439 . 6 1 1 A 165 165 ILE H H 187 7.881 8.092 -0.211 1
1 1440 . 6 1 1 A 165 165 ILE HA H 187 4.549 4.414 0.135 1
1 1450 . 6 1 1 A 165 165 ILE CA C 187 61.529 61.831 -0.302 1
1 1451 . 6 1 1 A 165 165 ILE CB C 187 39.748 40.374 -0.626 1
1 1455 . 6 1 1 A 165 165 ILE N N 187 113.570 121.769 -8.199 1
1 1456 . 6 1 1 A 166 166 GLN H H 188 8.308 7.709 0.599 1
1 1457 . 6 1 1 A 166 166 GLN HA H 188 4.303 4.488 -0.185 1
1 1462 . 6 1 1 A 166 166 GLN CA C 188 56.928 55.159 1.769 1
1 1463 . 6 1 1 A 166 166 GLN CB C 188 28.637 28.211 0.426 1
1 1465 . 6 1 1 A 166 166 GLN N N 188 122.915 118.546 4.369 1
1 3 . 7 1 1 A 2 2 SER H H 24 8.695 8.441 0.254 1
1 4 . 7 1 1 A 2 2 SER HA H 24 4.531 4.896 -0.365 1
1 6 . 7 1 1 A 2 2 SER CA C 24 58.296 57.756 0.540 1
1 7 . 7 1 1 A 2 2 SER CB C 24 63.897 63.705 0.192 1
1 8 . 7 1 1 A 2 2 SER N N 24 115.751 114.839 0.912 1
1 9 . 7 1 1 A 3 3 GLN H H 25 8.618 9.153 -0.535 1
1 10 . 7 1 1 A 3 3 GLN HA H 25 4.367 5.042 -0.675 1
1 14 . 7 1 1 A 3 3 GLN CA C 25 56.059 54.577 1.482 1
1 15 . 7 1 1 A 3 3 GLN CB C 25 29.248 30.642 -1.394 1
1 17 . 7 1 1 A 3 3 GLN N N 25 122.346 128.919 -6.573 1
1 18 . 7 1 1 A 4 4 GLY H H 26 8.431 8.455 -0.024 1
1 19 . 7 1 1 A 4 4 GLY HA2 H 26 3.904 4.225 -0.321 1
1 20 . 7 1 1 A 4 4 GLY CA C 26 45.171 46.066 -0.895 1
1 21 . 7 1 1 A 4 4 GLY N N 26 109.885 111.718 -1.833 1
1 22 . 7 1 1 A 5 5 HIS H H 27 8.342 8.553 -0.211 1
1 23 . 7 1 1 A 5 5 HIS HA H 27 4.750 4.613 0.137 1
1 27 . 7 1 1 A 5 5 HIS CA C 27 54.946 57.159 -2.213 1
1 28 . 7 1 1 A 5 5 HIS CB C 27 29.344 31.652 -2.308 1
1 30 . 7 1 1 A 5 5 HIS N N 27 117.765 116.539 1.226 1
1 31 . 7 1 1 A 6 6 ASP H H 28 8.518 7.788 0.730 1
1 32 . 7 1 1 A 6 6 ASP HA H 28 4.735 4.893 -0.158 1
1 35 . 7 1 1 A 6 6 ASP CA C 28 54.282 53.077 1.205 1
1 36 . 7 1 1 A 6 6 ASP CB C 28 41.098 40.622 0.476 1
1 37 . 7 1 1 A 6 6 ASP N N 28 121.910 115.266 6.644 1
1 38 . 7 1 1 A 7 7 THR H H 29 8.250 8.655 -0.405 1
1 39 . 7 1 1 A 7 7 THR HA H 29 4.343 4.077 0.266 1
1 44 . 7 1 1 A 7 7 THR CA C 29 62.124 65.884 -3.760 1
1 45 . 7 1 1 A 7 7 THR CB C 29 69.861 68.720 1.141 1
1 47 . 7 1 1 A 7 7 THR N N 29 116.925 117.858 -0.933 1
1 48 . 7 1 1 A 8 8 VAL H H 30 7.798 7.841 -0.043 1
1 49 . 7 1 1 A 8 8 VAL HA H 30 4.369 4.702 -0.333 1
1 54 . 7 1 1 A 8 8 VAL CA C 30 60.171 60.340 -0.169 1
1 55 . 7 1 1 A 8 8 VAL CB C 30 34.758 35.590 -0.832 1
1 57 . 7 1 1 A 8 8 VAL N N 30 119.837 119.109 0.728 1
1 58 . 7 1 1 A 9 9 GLN H H 31 8.472 8.020 0.452 1
1 59 . 7 1 1 A 9 9 GLN HA H 31 4.383 4.431 -0.048 1
1 63 . 7 1 1 A 9 9 GLN CA C 31 53.204 53.358 -0.154 1
1 64 . 7 1 1 A 9 9 GLN CB C 31 29.785 29.574 0.211 1
1 66 . 7 1 1 A 9 9 GLN N N 31 127.192 125.798 1.394 1
1 68 . 7 1 1 A 10 10 PRO HA H 32 4.426 4.702 -0.276 1
1 73 . 7 1 1 A 10 10 PRO CA C 32 63.431 62.570 0.861 1
1 74 . 7 1 1 A 10 10 PRO CB C 32 32.297 29.348 2.949 1
1 77 . 7 1 1 A 11 11 ASN H H 33 8.972 8.215 0.757 1
1 78 . 7 1 1 A 11 11 ASN HA H 33 4.539 5.053 -0.514 1
1 83 . 7 1 1 A 11 11 ASN CA C 33 53.563 53.243 0.320 1
1 84 . 7 1 1 A 11 11 ASN CB C 33 37.923 39.854 -1.931 1
1 85 . 7 1 1 A 11 11 ASN N N 33 119.013 121.102 -2.089 1
1 87 . 7 1 1 A 12 12 PHE H H 34 7.996 9.107 -1.111 1
1 88 . 7 1 1 A 12 12 PHE HA H 34 4.186 4.989 -0.803 1
1 91 . 7 1 1 A 12 12 PHE CA C 34 59.402 57.407 1.995 1
1 92 . 7 1 1 A 12 12 PHE CB C 34 39.516 40.818 -1.302 1
1 93 . 7 1 1 A 12 12 PHE N N 34 119.073 127.716 -8.643 1
1 94 . 7 1 1 A 13 13 GLN H H 35 7.402 8.428 -1.026 1
1 95 . 7 1 1 A 13 13 GLN HA H 35 4.303 4.662 -0.359 1
1 101 . 7 1 1 A 13 13 GLN CA C 35 53.093 55.293 -2.200 1
1 102 . 7 1 1 A 13 13 GLN CB C 35 29.598 29.984 -0.386 1
1 104 . 7 1 1 A 13 13 GLN N N 35 128.226 123.085 5.141 1
1 106 . 7 1 1 A 14 14 GLN H H 36 8.736 8.917 -0.181 1
1 107 . 7 1 1 A 14 14 GLN HA H 36 3.503 4.322 -0.819 1
1 110 . 7 1 1 A 14 14 GLN CA C 36 60.089 59.421 0.668 1
1 111 . 7 1 1 A 14 14 GLN CB C 36 29.596 28.509 1.087 1
1 113 . 7 1 1 A 14 14 GLN N N 36 124.702 120.508 4.194 1
1 114 . 7 1 1 A 15 15 ASP H H 37 8.628 8.525 0.103 1
1 115 . 7 1 1 A 15 15 ASP HA H 37 4.229 4.424 -0.195 1
1 118 . 7 1 1 A 15 15 ASP CA C 37 56.326 57.456 -1.130 1
1 119 . 7 1 1 A 15 15 ASP CB C 37 39.182 42.080 -2.898 1
1 120 . 7 1 1 A 15 15 ASP N N 37 114.027 119.327 -5.300 1
1 121 . 7 1 1 A 16 16 LYS H H 38 6.859 7.687 -0.828 1
1 122 . 7 1 1 A 16 16 LYS HA H 38 4.060 4.167 -0.107 1
1 124 . 7 1 1 A 16 16 LYS CA C 38 56.445 58.548 -2.103 1
1 125 . 7 1 1 A 16 16 LYS CB C 38 31.077 31.990 -0.913 1
1 129 . 7 1 1 A 16 16 LYS N N 38 116.638 119.024 -2.386 1
1 130 . 7 1 1 A 17 17 PHE H H 39 7.454 7.707 -0.253 1
1 131 . 7 1 1 A 17 17 PHE HA H 39 4.822 4.342 0.480 1
1 135 . 7 1 1 A 17 17 PHE CA C 39 57.301 60.327 -3.026 1
1 136 . 7 1 1 A 17 17 PHE CB C 39 42.087 39.370 2.717 1
1 137 . 7 1 1 A 17 17 PHE N N 39 119.221 116.807 2.414 1
1 138 . 7 1 1 A 18 18 LEU H H 40 6.674 7.784 -1.110 1
1 139 . 7 1 1 A 18 18 LEU HA H 40 3.911 5.251 -1.340 1
1 149 . 7 1 1 A 18 18 LEU CA C 40 54.860 53.193 1.667 1
1 150 . 7 1 1 A 18 18 LEU CB C 40 42.421 45.047 -2.626 1
1 154 . 7 1 1 A 18 18 LEU N N 40 112.003 115.122 -3.119 1
1 155 . 7 1 1 A 19 19 GLY H H 41 8.876 8.190 0.686 1
1 156 . 7 1 1 A 19 19 GLY HA2 H 41 3.718 4.069 -0.351 1
1 157 . 7 1 1 A 19 19 GLY HA3 H 41 4.341 4.098 0.243 1
1 158 . 7 1 1 A 19 19 GLY CA C 41 44.093 45.734 -1.641 1
1 159 . 7 1 1 A 19 19 GLY N N 41 107.870 107.191 0.679 1
1 160 . 7 1 1 A 20 20 ARG H H 42 8.678 8.192 0.486 1
1 161 . 7 1 1 A 20 20 ARG HA H 42 4.495 4.633 -0.138 1
1 163 . 7 1 1 A 20 20 ARG CA C 42 56.924 55.506 1.418 1
1 164 . 7 1 1 A 20 20 ARG CB C 42 30.828 31.217 -0.389 1
1 165 . 7 1 1 A 20 20 ARG N N 42 121.873 119.603 2.270 1
1 166 . 7 1 1 A 21 21 TRP H H 43 9.320 9.551 -0.231 1
1 167 . 7 1 1 A 21 21 TRP HA H 43 4.685 5.347 -0.662 1
1 171 . 7 1 1 A 21 21 TRP CA C 43 55.343 55.962 -0.619 1
1 172 . 7 1 1 A 21 21 TRP CB C 43 34.550 34.048 0.502 1
1 174 . 7 1 1 A 21 21 TRP N N 43 130.676 124.165 6.511 1
1 176 . 7 1 1 A 22 22 TYR H H 44 9.661 8.891 0.770 1
1 177 . 7 1 1 A 22 22 TYR HA H 44 5.607 5.086 0.521 1
1 182 . 7 1 1 A 22 22 TYR CA C 44 56.782 56.546 0.236 1
1 183 . 7 1 1 A 22 22 TYR CB C 44 39.975 41.314 -1.339 1
1 186 . 7 1 1 A 22 22 TYR N N 44 117.926 120.099 -2.173 1
1 187 . 7 1 1 A 23 23 SER H H 45 9.249 8.550 0.699 1
1 188 . 7 1 1 A 23 23 SER HA H 45 4.705 4.028 0.677 1
1 191 . 7 1 1 A 23 23 SER CA C 45 57.060 59.068 -2.008 1
1 192 . 7 1 1 A 23 23 SER CB C 45 62.668 61.757 0.911 1
1 193 . 7 1 1 A 23 23 SER N N 45 119.038 121.286 -2.248 1
1 194 . 7 1 1 A 24 24 ALA H H 46 8.724 7.678 1.046 1
1 195 . 7 1 1 A 24 24 ALA HA H 46 4.877 4.399 0.478 1
1 199 . 7 1 1 A 24 24 ALA CA C 46 51.953 50.534 1.419 1
1 200 . 7 1 1 A 24 24 ALA CB C 46 22.855 21.131 1.724 1
1 201 . 7 1 1 A 24 24 ALA N N 46 126.183 126.755 -0.572 1
1 202 . 7 1 1 A 25 25 GLY H H 47 7.820 8.214 -0.394 1
1 203 . 7 1 1 A 25 25 GLY HA2 H 47 2.841 3.090 -0.249 1
1 204 . 7 1 1 A 25 25 GLY HA3 H 47 4.943 3.131 1.812 1
1 205 . 7 1 1 A 25 25 GLY CA C 47 45.285 46.162 -0.877 1
1 206 . 7 1 1 A 25 25 GLY N N 47 107.738 107.149 0.589 1
1 207 . 7 1 1 A 26 26 LEU H H 48 9.082 7.659 1.423 1
1 208 . 7 1 1 A 26 26 LEU HA H 48 5.454 5.008 0.446 1
1 217 . 7 1 1 A 26 26 LEU CA C 48 54.277 53.510 0.767 1
1 218 . 7 1 1 A 26 26 LEU CB C 48 49.097 45.612 3.485 1
1 222 . 7 1 1 A 26 26 LEU N N 48 125.132 125.248 -0.116 1
1 223 . 7 1 1 A 27 27 ALA H H 49 8.854 8.414 0.440 1
1 224 . 7 1 1 A 27 27 ALA HA H 49 5.571 5.414 0.157 1
1 228 . 7 1 1 A 27 27 ALA CA C 49 50.788 51.175 -0.387 1
1 229 . 7 1 1 A 27 27 ALA CB C 49 24.289 22.469 1.820 1
1 230 . 7 1 1 A 27 27 ALA N N 49 123.650 128.169 -4.519 1
1 231 . 7 1 1 A 28 28 SER H H 50 7.321 8.705 -1.384 1
1 232 . 7 1 1 A 28 28 SER HA H 50 4.625 4.927 -0.302 1
1 235 . 7 1 1 A 28 28 SER CA C 50 56.119 56.427 -0.308 1
1 236 . 7 1 1 A 28 28 SER CB C 50 64.886 66.647 -1.761 1
1 237 . 7 1 1 A 28 28 SER N N 50 113.858 116.471 -2.613 1
1 238 . 7 1 1 A 29 29 ASN H H 51 7.743 8.302 -0.559 1
1 239 . 7 1 1 A 29 29 ASN HA H 51 4.809 4.379 0.430 1
1 244 . 7 1 1 A 29 29 ASN CA C 51 51.651 56.091 -4.440 1
1 245 . 7 1 1 A 29 29 ASN CB C 51 37.860 38.082 -0.222 1
1 246 . 7 1 1 A 29 29 ASN N N 51 120.399 122.373 -1.974 1
1 248 . 7 1 1 A 30 30 SER H H 52 8.156 8.445 -0.289 1
1 249 . 7 1 1 A 30 30 SER HA H 52 4.460 4.913 -0.453 1
1 252 . 7 1 1 A 30 30 SER CA C 52 58.432 57.938 0.494 1
1 253 . 7 1 1 A 30 30 SER CB C 52 64.745 65.364 -0.619 1
1 254 . 7 1 1 A 30 30 SER N N 52 116.012 114.575 1.437 1
1 255 . 7 1 1 A 31 31 SER H H 53 9.142 8.651 0.491 1
1 256 . 7 1 1 A 31 31 SER HA H 53 4.003 4.851 -0.848 1
1 258 . 7 1 1 A 31 31 SER N N 53 120.999 118.428 2.571 1
1 259 . 7 1 1 A 32 32 TRP H H 54 8.030 7.827 0.203 1
1 260 . 7 1 1 A 32 32 TRP HA H 54 4.329 4.344 -0.015 1
1 265 . 7 1 1 A 32 32 TRP CA C 54 60.082 61.145 -1.063 1
1 266 . 7 1 1 A 32 32 TRP CB C 54 28.641 29.451 -0.810 1
1 268 . 7 1 1 A 32 32 TRP N N 54 121.477 122.514 -1.037 1
1 270 . 7 1 1 A 33 33 PHE H H 55 7.333 8.487 -1.154 1
1 271 . 7 1 1 A 33 33 PHE HA H 55 3.603 4.330 -0.727 1
1 275 . 7 1 1 A 33 33 PHE CA C 55 61.288 62.158 -0.870 1
1 276 . 7 1 1 A 33 33 PHE CB C 55 39.446 38.676 0.770 1
1 278 . 7 1 1 A 33 33 PHE N N 55 120.174 117.965 2.209 1
1 279 . 7 1 1 A 34 34 ARG H H 56 7.860 8.539 -0.679 1
1 280 . 7 1 1 A 34 34 ARG HA H 56 3.721 4.044 -0.323 1
1 285 . 7 1 1 A 34 34 ARG CA C 56 59.457 59.936 -0.479 1
1 286 . 7 1 1 A 34 34 ARG CB C 56 30.014 29.776 0.238 1
1 289 . 7 1 1 A 34 34 ARG N N 56 117.452 120.739 -3.287 1
1 290 . 7 1 1 A 35 35 GLU H H 57 7.715 7.742 -0.027 1
1 291 . 7 1 1 A 35 35 GLU HA H 57 4.100 4.165 -0.065 1
1 295 . 7 1 1 A 35 35 GLU CA C 57 57.997 58.938 -0.941 1
1 296 . 7 1 1 A 35 35 GLU CB C 57 29.970 29.459 0.511 1
1 298 . 7 1 1 A 35 35 GLU N N 57 116.049 119.996 -3.947 1
1 299 . 7 1 1 A 36 36 LYS H H 58 7.614 7.851 -0.237 1
1 300 . 7 1 1 A 36 36 LYS HA H 58 4.225 4.482 -0.257 1
1 305 . 7 1 1 A 36 36 LYS CA C 58 55.355 56.539 -1.184 1
1 306 . 7 1 1 A 36 36 LYS CB C 58 32.528 32.584 -0.056 1
1 310 . 7 1 1 A 36 36 LYS N N 58 116.955 119.324 -2.369 1
1 311 . 7 1 1 A 37 37 LYS H H 59 7.546 8.042 -0.496 1
1 312 . 7 1 1 A 37 37 LYS HA H 59 3.403 4.187 -0.784 1
1 315 . 7 1 1 A 37 37 LYS CA C 59 59.757 58.546 1.211 1
1 316 . 7 1 1 A 37 37 LYS CB C 59 31.569 32.221 -0.652 1
1 320 . 7 1 1 A 37 37 LYS N N 59 118.551 120.340 -1.789 1
1 321 . 7 1 1 A 38 38 ALA H H 60 7.940 8.117 -0.177 1
1 322 . 7 1 1 A 38 38 ALA HA H 60 4.215 4.139 0.076 1
1 326 . 7 1 1 A 38 38 ALA CA C 60 53.352 54.599 -1.247 1
1 327 . 7 1 1 A 38 38 ALA CB C 60 19.247 18.459 0.788 1
1 328 . 7 1 1 A 38 38 ALA N N 60 118.227 121.508 -3.281 1
1 329 . 7 1 1 A 39 39 VAL H H 61 7.917 7.720 0.197 1
1 330 . 7 1 1 A 39 39 VAL HA H 61 4.466 4.114 0.352 1
1 338 . 7 1 1 A 39 39 VAL CA C 61 60.339 65.263 -4.924 1
1 339 . 7 1 1 A 39 39 VAL CB C 61 31.626 32.201 -0.575 1
1 342 . 7 1 1 A 39 39 VAL N N 61 111.011 114.740 -3.729 1
1 343 . 7 1 1 A 40 40 LEU H H 62 6.773 7.948 -1.175 1
1 344 . 7 1 1 A 40 40 LEU HA H 62 4.495 4.112 0.383 1
1 350 . 7 1 1 A 40 40 LEU CA C 62 54.357 55.469 -1.112 1
1 351 . 7 1 1 A 40 40 LEU CB C 62 43.272 40.983 2.289 1
1 353 . 7 1 1 A 40 40 LEU N N 62 121.749 121.043 0.706 1
1 354 . 7 1 1 A 41 41 TYR H H 63 8.277 7.741 0.536 1
1 355 . 7 1 1 A 41 41 TYR HA H 63 4.837 5.712 -0.875 1
1 358 . 7 1 1 A 41 41 TYR CA C 63 56.696 55.185 1.511 1
1 359 . 7 1 1 A 41 41 TYR CB C 63 42.753 42.147 0.606 1
1 360 . 7 1 1 A 41 41 TYR N N 63 118.215 121.714 -3.499 1
1 361 . 7 1 1 A 42 42 MET H H 64 8.749 8.708 0.041 1
1 362 . 7 1 1 A 42 42 MET HA H 64 4.324 5.014 -0.690 1
1 368 . 7 1 1 A 42 42 MET CA C 64 57.707 54.550 3.157 1
1 369 . 7 1 1 A 42 42 MET CB C 64 35.348 36.242 -0.894 1
1 372 . 7 1 1 A 42 42 MET N N 64 122.104 121.817 0.287 1
1 373 . 7 1 1 A 43 43 ALA H H 65 7.715 9.084 -1.369 1
1 374 . 7 1 1 A 43 43 ALA HA H 65 5.260 5.502 -0.242 1
1 378 . 7 1 1 A 43 43 ALA CA C 65 50.030 50.017 0.013 1
1 379 . 7 1 1 A 43 43 ALA CB C 65 22.614 22.137 0.477 1
1 380 . 7 1 1 A 43 43 ALA N N 65 126.545 127.306 -0.761 1
1 381 . 7 1 1 A 44 44 LYS H H 66 8.405 9.258 -0.853 1
1 382 . 7 1 1 A 44 44 LYS HA H 66 4.790 4.519 0.271 1
1 385 . 7 1 1 A 44 44 LYS CA C 66 55.700 54.853 0.847 1
1 386 . 7 1 1 A 44 44 LYS CB C 66 34.887 33.460 1.427 1
1 387 . 7 1 1 A 44 44 LYS N N 66 122.330 122.669 -0.339 1
1 388 . 7 1 1 A 45 45 THR H H 67 9.398 8.457 0.941 1
1 389 . 7 1 1 A 45 45 THR HA H 67 5.067 5.624 -0.557 1
1 394 . 7 1 1 A 45 45 THR CA C 67 62.069 60.700 1.369 1
1 395 . 7 1 1 A 45 45 THR CB C 67 72.034 70.330 1.704 1
1 397 . 7 1 1 A 45 45 THR N N 67 125.471 116.701 8.770 1
1 398 . 7 1 1 A 46 46 VAL H H 68 9.026 8.754 0.272 1
1 399 . 7 1 1 A 46 46 VAL HA H 68 4.510 4.930 -0.420 1
1 404 . 7 1 1 A 46 46 VAL CA C 68 61.532 61.149 0.383 1
1 405 . 7 1 1 A 46 46 VAL CB C 68 33.257 34.772 -1.515 1
1 407 . 7 1 1 A 46 46 VAL N N 68 126.960 123.642 3.318 1
1 408 . 7 1 1 A 47 47 VAL H H 69 9.346 8.791 0.555 1
1 409 . 7 1 1 A 47 47 VAL HA H 69 4.700 4.660 0.040 1
1 417 . 7 1 1 A 47 47 VAL CA C 69 61.990 61.606 0.384 1
1 418 . 7 1 1 A 47 47 VAL CB C 69 32.495 32.664 -0.169 1
1 421 . 7 1 1 A 47 47 VAL N N 69 130.792 129.161 1.631 1
1 422 . 7 1 1 A 48 48 ALA H H 70 9.268 9.158 0.110 1
1 423 . 7 1 1 A 48 48 ALA HA H 70 5.121 4.817 0.304 1
1 427 . 7 1 1 A 48 48 ALA CA C 70 49.710 49.189 0.521 1
1 428 . 7 1 1 A 48 48 ALA CB C 70 21.349 21.044 0.305 1
1 429 . 7 1 1 A 48 48 ALA N N 70 133.796 130.131 3.665 1
1 430 . 7 1 1 A 49 49 PRO HA H 71 4.842 4.778 0.064 1
1 433 . 7 1 1 A 49 49 PRO CA C 71 63.040 63.340 -0.300 1
1 434 . 7 1 1 A 49 49 PRO CB C 71 32.195 31.979 0.216 1
1 437 . 7 1 1 A 50 50 SER H H 72 8.025 9.535 -1.510 1
1 438 . 7 1 1 A 50 50 SER HA H 72 4.914 5.029 -0.115 1
1 441 . 7 1 1 A 50 50 SER CA C 72 55.615 57.533 -1.918 1
1 442 . 7 1 1 A 50 50 SER CB C 72 65.439 65.668 -0.229 1
1 443 . 7 1 1 A 50 50 SER N N 72 117.492 119.248 -1.756 1
1 444 . 7 1 1 A 51 51 THR H H 73 8.730 9.185 -0.455 1
1 445 . 7 1 1 A 51 51 THR HA H 73 4.145 4.191 -0.046 1
1 450 . 7 1 1 A 51 51 THR CA C 73 64.544 65.245 -0.701 1
1 451 . 7 1 1 A 51 51 THR CB C 73 68.785 68.471 0.314 1
1 453 . 7 1 1 A 51 51 THR N N 73 116.878 117.717 -0.839 1
1 454 . 7 1 1 A 52 52 GLU H H 74 8.151 7.817 0.334 1
1 455 . 7 1 1 A 52 52 GLU HA H 74 4.475 4.310 0.165 1
1 459 . 7 1 1 A 52 52 GLU CA C 74 56.422 56.433 -0.011 1
1 460 . 7 1 1 A 52 52 GLU CB C 74 28.860 30.028 -1.168 1
1 462 . 7 1 1 A 52 52 GLU N N 74 118.204 119.722 -1.518 1
1 463 . 7 1 1 A 53 53 GLY H H 75 7.778 8.367 -0.589 1
1 464 . 7 1 1 A 53 53 GLY HA2 H 75 3.864 3.999 -0.135 1
1 465 . 7 1 1 A 53 53 GLY HA3 H 75 4.446 4.007 0.439 1
1 466 . 7 1 1 A 53 53 GLY CA C 75 45.501 45.651 -0.150 1
1 467 . 7 1 1 A 53 53 GLY N N 75 106.348 108.042 -1.694 1
1 468 . 7 1 1 A 54 54 GLY H H 76 7.775 7.710 0.065 1
1 469 . 7 1 1 A 54 54 GLY HA2 H 76 4.177 4.213 -0.036 1
1 470 . 7 1 1 A 54 54 GLY HA3 H 76 4.677 4.235 0.442 1
1 471 . 7 1 1 A 54 54 GLY CA C 76 43.906 45.838 -1.932 1
1 472 . 7 1 1 A 54 54 GLY N N 76 108.460 106.069 2.391 1
1 473 . 7 1 1 A 55 55 LEU H H 77 8.311 8.126 0.185 1
1 474 . 7 1 1 A 55 55 LEU HA H 77 5.116 5.387 -0.271 1
1 477 . 7 1 1 A 55 55 LEU CA C 77 53.425 53.351 0.074 1
1 478 . 7 1 1 A 55 55 LEU CB C 77 47.604 46.039 1.565 1
1 479 . 7 1 1 A 55 55 LEU N N 77 120.236 122.408 -2.172 1
1 480 . 7 1 1 A 56 56 ASN H H 78 9.424 9.910 -0.486 1
1 481 . 7 1 1 A 56 56 ASN HA H 78 5.149 5.367 -0.218 1
1 485 . 7 1 1 A 56 56 ASN CA C 78 52.316 52.043 0.273 1
1 486 . 7 1 1 A 56 56 ASN CB C 78 40.839 40.070 0.769 1
1 487 . 7 1 1 A 56 56 ASN N N 78 120.305 120.356 -0.051 1
1 489 . 7 1 1 A 57 57 LEU H H 79 9.259 8.626 0.633 1
1 490 . 7 1 1 A 57 57 LEU HA H 79 4.903 5.711 -0.808 1
1 491 . 7 1 1 A 57 57 LEU CA C 79 54.713 54.133 0.580 1
1 492 . 7 1 1 A 57 57 LEU CB C 79 42.533 42.938 -0.405 1
1 493 . 7 1 1 A 57 57 LEU N N 79 127.309 127.462 -0.153 1
1 494 . 7 1 1 A 58 58 THR H H 80 8.973 9.703 -0.730 1
1 495 . 7 1 1 A 58 58 THR HA H 80 4.941 4.968 -0.027 1
1 500 . 7 1 1 A 58 58 THR CA C 80 62.501 61.831 0.670 1
1 501 . 7 1 1 A 58 58 THR CB C 80 68.984 69.766 -0.782 1
1 503 . 7 1 1 A 58 58 THR N N 80 122.763 125.047 -2.284 1
1 504 . 7 1 1 A 59 59 SER H H 81 9.549 8.961 0.588 1
1 505 . 7 1 1 A 59 59 SER HA H 81 6.045 5.987 0.058 1
1 507 . 7 1 1 A 59 59 SER CA C 81 57.242 56.638 0.604 1
1 508 . 7 1 1 A 59 59 SER CB C 81 65.536 64.635 0.901 1
1 509 . 7 1 1 A 59 59 SER N N 81 126.425 121.416 5.009 1
1 510 . 7 1 1 A 60 60 THR H H 82 9.332 9.060 0.272 1
1 511 . 7 1 1 A 60 60 THR HA H 82 5.464 5.123 0.341 1
1 516 . 7 1 1 A 60 60 THR CA C 82 61.719 60.390 1.329 1
1 517 . 7 1 1 A 60 60 THR CB C 82 70.846 70.916 -0.070 1
1 519 . 7 1 1 A 60 60 THR N N 82 121.445 115.898 5.547 1
1 520 . 7 1 1 A 61 61 PHE H H 83 8.794 7.778 1.016 1
1 521 . 7 1 1 A 61 61 PHE HA H 83 5.266 6.866 -1.600 1
1 525 . 7 1 1 A 61 61 PHE CA C 83 54.698 55.191 -0.493 1
1 526 . 7 1 1 A 61 61 PHE CB C 83 42.327 42.548 -0.221 1
1 528 . 7 1 1 A 61 61 PHE N N 83 121.707 120.048 1.659 1
1 529 . 7 1 1 A 62 62 LEU H H 84 8.915 8.588 0.327 1
1 530 . 7 1 1 A 62 62 LEU HA H 84 4.885 5.349 -0.464 1
1 540 . 7 1 1 A 62 62 LEU CA C 84 54.447 53.733 0.714 1
1 541 . 7 1 1 A 62 62 LEU CB C 84 43.627 44.904 -1.277 1
1 545 . 7 1 1 A 62 62 LEU N N 84 122.160 122.862 -0.702 1
1 546 . 7 1 1 A 63 63 ARG H H 85 9.213 9.595 -0.382 1
1 547 . 7 1 1 A 63 63 ARG HA H 85 4.645 4.990 -0.345 1
1 551 . 7 1 1 A 63 63 ARG CA C 85 56.244 54.888 1.356 1
1 552 . 7 1 1 A 63 63 ARG CB C 85 32.551 32.434 0.117 1
1 555 . 7 1 1 A 63 63 ARG N N 85 128.889 125.658 3.231 1
1 556 . 7 1 1 A 64 64 LYS H H 86 9.466 9.524 -0.058 1
1 557 . 7 1 1 A 64 64 LYS HA H 86 3.869 3.972 -0.103 1
1 563 . 7 1 1 A 64 64 LYS CA C 86 58.497 57.604 0.893 1
1 564 . 7 1 1 A 64 64 LYS CB C 86 30.202 30.844 -0.642 1
1 568 . 7 1 1 A 64 64 LYS N N 86 127.634 119.597 8.037 1
1 569 . 7 1 1 A 65 65 ASN H H 87 8.648 8.576 0.072 1
1 570 . 7 1 1 A 65 65 ASN HA H 87 4.500 4.363 0.137 1
1 575 . 7 1 1 A 65 65 ASN CA C 87 54.059 54.434 -0.375 1
1 576 . 7 1 1 A 65 65 ASN CB C 87 38.861 37.727 1.134 1
1 577 . 7 1 1 A 65 65 ASN N N 87 113.645 114.744 -1.099 1
1 579 . 7 1 1 A 66 66 GLN H H 88 8.009 7.612 0.397 1
1 580 . 7 1 1 A 66 66 GLN HA H 88 4.720 4.827 -0.107 1
1 586 . 7 1 1 A 66 66 GLN CA C 88 53.951 55.002 -1.051 1
1 587 . 7 1 1 A 66 66 GLN CB C 88 32.360 31.087 1.273 1
1 589 . 7 1 1 A 66 66 GLN N N 88 118.506 117.274 1.232 1
1 591 . 7 1 1 A 67 67 CYS H H 89 8.712 9.233 -0.521 1
1 592 . 7 1 1 A 67 67 CYS HA H 89 5.398 5.773 -0.375 1
1 595 . 7 1 1 A 67 67 CYS CA C 89 52.821 54.382 -1.561 1
1 596 . 7 1 1 A 67 67 CYS CB C 89 36.780 45.174 -8.394 1
1 597 . 7 1 1 A 67 67 CYS N N 89 119.694 125.917 -6.223 1
1 598 . 7 1 1 A 68 68 GLU H H 90 9.083 8.471 0.612 1
1 599 . 7 1 1 A 68 68 GLU HA H 90 4.568 4.933 -0.365 1
1 603 . 7 1 1 A 68 68 GLU CA C 90 54.905 54.556 0.349 1
1 604 . 7 1 1 A 68 68 GLU CB C 90 33.372 33.928 -0.556 1
1 606 . 7 1 1 A 68 68 GLU N N 90 126.906 127.052 -0.146 1
1 607 . 7 1 1 A 69 69 THR H H 91 8.233 8.670 -0.437 1
1 608 . 7 1 1 A 69 69 THR HA H 91 5.721 4.954 0.767 1
1 613 . 7 1 1 A 69 69 THR CA C 91 60.732 59.929 0.803 1
1 614 . 7 1 1 A 69 69 THR CB C 91 71.796 71.679 0.117 1
1 616 . 7 1 1 A 69 69 THR N N 91 115.413 117.562 -2.149 1
1 617 . 7 1 1 A 70 70 LYS H H 92 9.232 8.339 0.893 1
1 618 . 7 1 1 A 70 70 LYS HA H 92 4.847 4.810 0.037 1
1 624 . 7 1 1 A 70 70 LYS CA C 92 54.766 54.864 -0.098 1
1 625 . 7 1 1 A 70 70 LYS CB C 92 36.982 36.078 0.904 1
1 629 . 7 1 1 A 70 70 LYS N N 92 125.378 127.257 -1.879 1
1 630 . 7 1 1 A 71 71 ILE H H 93 8.751 8.856 -0.105 1
1 631 . 7 1 1 A 71 71 ILE HA H 93 5.101 4.812 0.289 1
1 641 . 7 1 1 A 71 71 ILE CA C 93 60.391 60.201 0.190 1
1 642 . 7 1 1 A 71 71 ILE CB C 93 40.534 39.327 1.207 1
1 646 . 7 1 1 A 71 71 ILE N N 93 124.290 128.137 -3.847 1
1 647 . 7 1 1 A 72 72 MET H H 94 9.003 8.875 0.128 1
1 648 . 7 1 1 A 72 72 MET HA H 94 4.775 5.221 -0.446 1
1 651 . 7 1 1 A 72 72 MET CA C 94 54.673 54.258 0.415 1
1 652 . 7 1 1 A 72 72 MET CB C 94 36.889 36.150 0.739 1
1 654 . 7 1 1 A 72 72 MET N N 94 127.651 125.272 2.379 1
1 655 . 7 1 1 A 73 73 VAL H H 95 8.607 9.040 -0.433 1
1 656 . 7 1 1 A 73 73 VAL HA H 95 4.740 4.817 -0.077 1
1 661 . 7 1 1 A 73 73 VAL CA C 95 62.080 60.251 1.829 1
1 662 . 7 1 1 A 73 73 VAL CB C 95 33.333 34.125 -0.792 1
1 664 . 7 1 1 A 73 73 VAL N N 95 125.436 125.004 0.432 1
1 665 . 7 1 1 A 74 74 LEU H H 96 9.278 8.866 0.412 1
1 666 . 7 1 1 A 74 74 LEU HA H 96 5.089 5.337 -0.248 1
1 668 . 7 1 1 A 74 74 LEU CA C 96 53.117 53.466 -0.349 1
1 669 . 7 1 1 A 74 74 LEU CB C 96 42.342 45.211 -2.869 1
1 670 . 7 1 1 A 74 74 LEU N N 96 127.760 130.624 -2.864 1
1 671 . 7 1 1 A 75 75 GLN H H 97 9.280 8.559 0.721 1
1 672 . 7 1 1 A 75 75 GLN HA H 97 5.018 4.836 0.182 1
1 675 . 7 1 1 A 75 75 GLN CA C 97 53.326 52.347 0.979 1
1 676 . 7 1 1 A 75 75 GLN CB C 97 29.255 30.340 -1.085 1
1 678 . 7 1 1 A 75 75 GLN N N 97 125.135 124.548 0.587 1
1 679 . 7 1 1 A 76 76 PRO HA H 98 4.407 4.656 -0.249 1
1 682 . 7 1 1 A 76 76 PRO CA C 98 64.216 62.874 1.342 1
1 683 . 7 1 1 A 76 76 PRO CB C 98 32.365 32.322 0.043 1
1 684 . 7 1 1 A 77 77 ALA H H 99 8.021 7.787 0.234 1
1 685 . 7 1 1 A 77 77 ALA HA H 99 4.691 4.520 0.171 1
1 689 . 7 1 1 A 77 77 ALA CA C 99 50.927 51.186 -0.259 1
1 690 . 7 1 1 A 77 77 ALA CB C 99 20.003 18.503 1.500 1
1 691 . 7 1 1 A 77 77 ALA N N 99 126.607 126.280 0.327 1
1 692 . 7 1 1 A 78 78 GLY H H 100 8.185 8.071 0.114 1
1 693 . 7 1 1 A 78 78 GLY HA2 H 100 3.560 3.896 -0.336 1
1 694 . 7 1 1 A 78 78 GLY HA3 H 100 4.211 3.912 0.299 1
1 695 . 7 1 1 A 78 78 GLY CA C 100 45.692 47.189 -1.497 1
1 696 . 7 1 1 A 78 78 GLY N N 100 109.388 108.357 1.031 1
1 697 . 7 1 1 A 79 79 ALA H H 101 8.074 7.663 0.411 1
1 698 . 7 1 1 A 79 79 ALA HA H 101 4.624 4.503 0.121 1
1 702 . 7 1 1 A 79 79 ALA CA C 101 50.576 50.626 -0.050 1
1 703 . 7 1 1 A 79 79 ALA CB C 101 18.277 19.134 -0.857 1
1 704 . 7 1 1 A 79 79 ALA N N 101 126.934 126.770 0.164 1
1 705 . 7 1 1 A 80 80 PRO HA H 102 4.425 4.009 0.416 1
1 707 . 7 1 1 A 80 80 PRO CA C 102 63.915 63.483 0.432 1
1 708 . 7 1 1 A 80 80 PRO CB C 102 32.093 31.993 0.100 1
1 711 . 7 1 1 A 81 81 GLY H H 103 8.227 8.591 -0.364 1
1 712 . 7 1 1 A 81 81 GLY HA2 H 103 2.428 3.735 -1.307 1
1 713 . 7 1 1 A 81 81 GLY HA3 H 103 3.673 3.934 -0.261 1
1 714 . 7 1 1 A 81 81 GLY CA C 103 44.671 45.066 -0.395 1
1 715 . 7 1 1 A 81 81 GLY N N 103 111.362 111.288 0.074 1
1 716 . 7 1 1 A 82 82 HIS H H 104 7.610 6.894 0.716 1
1 717 . 7 1 1 A 82 82 HIS HA H 104 5.169 5.357 -0.188 1
1 721 . 7 1 1 A 82 82 HIS CA C 104 54.457 54.070 0.387 1
1 722 . 7 1 1 A 82 82 HIS CB C 104 29.867 33.604 -3.737 1
1 724 . 7 1 1 A 82 82 HIS N N 104 117.393 114.386 3.007 1
1 725 . 7 1 1 A 83 83 TYR H H 105 9.164 9.047 0.117 1
1 726 . 7 1 1 A 83 83 TYR HA H 105 5.465 5.275 0.190 1
1 730 . 7 1 1 A 83 83 TYR CA C 105 56.894 56.140 0.754 1
1 731 . 7 1 1 A 83 83 TYR CB C 105 44.686 43.373 1.313 1
1 733 . 7 1 1 A 83 83 TYR N N 105 122.473 118.574 3.899 1
1 734 . 7 1 1 A 84 84 THR H H 106 9.475 8.614 0.861 1
1 735 . 7 1 1 A 84 84 THR HA H 106 5.439 5.197 0.242 1
1 740 . 7 1 1 A 84 84 THR CA C 106 60.469 60.620 -0.151 1
1 741 . 7 1 1 A 84 84 THR CB C 106 72.344 71.781 0.563 1
1 743 . 7 1 1 A 84 84 THR N N 106 112.202 113.310 -1.108 1
1 744 . 7 1 1 A 85 85 TYR H H 107 8.723 8.176 0.547 1
1 745 . 7 1 1 A 85 85 TYR HA H 107 5.239 6.292 -1.053 1
1 749 . 7 1 1 A 85 85 TYR CA C 107 56.392 55.242 1.150 1
1 750 . 7 1 1 A 85 85 TYR CB C 107 41.653 41.891 -0.238 1
1 751 . 7 1 1 A 85 85 TYR N N 107 118.519 119.820 -1.301 1
1 752 . 7 1 1 A 86 86 SER H H 108 8.509 8.802 -0.293 1
1 753 . 7 1 1 A 86 86 SER HA H 108 4.564 5.329 -0.765 1
1 755 . 7 1 1 A 86 86 SER CA C 108 56.420 56.610 -0.190 1
1 756 . 7 1 1 A 86 86 SER CB C 108 63.939 64.891 -0.952 1
1 757 . 7 1 1 A 86 86 SER N N 108 120.384 116.305 4.079 1
1 758 . 7 1 1 A 87 87 SER H H 109 8.155 8.879 -0.724 1
1 759 . 7 1 1 A 87 87 SER HA H 109 4.519 4.654 -0.135 1
1 762 . 7 1 1 A 87 87 SER CA C 109 56.046 55.685 0.361 1
1 763 . 7 1 1 A 87 87 SER CB C 109 63.145 63.443 -0.298 1
1 764 . 7 1 1 A 87 87 SER N N 109 120.949 123.205 -2.256 1
1 765 . 7 1 1 A 88 88 PRO HA H 110 4.287 4.364 -0.077 1
1 767 . 7 1 1 A 88 88 PRO CA C 110 64.081 63.979 0.102 1
1 768 . 7 1 1 A 88 88 PRO CB C 110 32.049 31.763 0.286 1
1 771 . 7 1 1 A 89 89 HIS H H 111 8.535 8.977 -0.442 1
1 772 . 7 1 1 A 89 89 HIS HA H 111 4.421 4.244 0.177 1
1 774 . 7 1 1 A 89 89 HIS CA C 111 56.683 57.129 -0.446 1
1 775 . 7 1 1 A 89 89 HIS CB C 111 27.859 28.844 -0.985 1
1 776 . 7 1 1 A 89 89 HIS N N 111 115.372 122.638 -7.266 1
1 777 . 7 1 1 A 90 90 SER H H 112 8.012 7.965 0.047 1
1 778 . 7 1 1 A 90 90 SER HA H 112 4.422 4.455 -0.033 1
1 781 . 7 1 1 A 90 90 SER CA C 112 58.586 58.486 0.100 1
1 782 . 7 1 1 A 90 90 SER CB C 112 64.405 65.447 -1.042 1
1 783 . 7 1 1 A 90 90 SER N N 112 112.865 114.268 -1.403 1
1 784 . 7 1 1 A 91 91 GLY H H 113 8.239 8.573 -0.334 1
1 785 . 7 1 1 A 91 91 GLY HA2 H 113 3.911 3.878 0.033 1
1 786 . 7 1 1 A 91 91 GLY HA3 H 113 3.966 3.890 0.076 1
1 787 . 7 1 1 A 91 91 GLY CA C 113 45.627 46.109 -0.482 1
1 788 . 7 1 1 A 91 91 GLY N N 113 110.848 112.270 -1.422 1
1 789 . 7 1 1 A 92 92 SER H H 114 7.757 7.476 0.281 1
1 790 . 7 1 1 A 92 92 SER HA H 114 4.518 4.912 -0.394 1
1 792 . 7 1 1 A 92 92 SER CA C 114 58.132 56.710 1.422 1
1 793 . 7 1 1 A 92 92 SER CB C 114 64.340 65.167 -0.827 1
1 794 . 7 1 1 A 92 92 SER N N 114 114.404 114.557 -0.153 1
1 795 . 7 1 1 A 93 93 ILE H H 115 8.456 8.887 -0.431 1
1 796 . 7 1 1 A 93 93 ILE HA H 115 4.412 4.651 -0.239 1
1 806 . 7 1 1 A 93 93 ILE CA C 115 60.573 60.284 0.289 1
1 807 . 7 1 1 A 93 93 ILE CB C 115 39.061 41.007 -1.946 1
1 811 . 7 1 1 A 93 93 ILE N N 115 124.873 126.582 -1.709 1
1 812 . 7 1 1 A 94 94 HIS H H 116 8.994 8.173 0.821 1
1 813 . 7 1 1 A 94 94 HIS HA H 116 5.309 5.173 0.136 1
1 814 . 7 1 1 A 94 94 HIS CA C 116 53.919 54.140 -0.221 1
1 815 . 7 1 1 A 94 94 HIS CB C 116 27.883 31.950 -4.067 1
1 816 . 7 1 1 A 94 94 HIS N N 116 125.591 125.714 -0.123 1
1 817 . 7 1 1 A 95 95 SER H H 117 9.153 8.919 0.234 1
1 818 . 7 1 1 A 95 95 SER HA H 117 5.101 5.071 0.030 1
1 820 . 7 1 1 A 95 95 SER CA C 117 57.114 56.929 0.185 1
1 821 . 7 1 1 A 95 95 SER CB C 117 64.430 64.331 0.099 1
1 822 . 7 1 1 A 95 95 SER N N 117 117.598 118.227 -0.629 1
1 823 . 7 1 1 A 96 96 VAL H H 118 9.055 9.319 -0.264 1
1 824 . 7 1 1 A 96 96 VAL HA H 118 5.009 5.139 -0.130 1
1 828 . 7 1 1 A 96 96 VAL CA C 118 61.453 61.177 0.276 1
1 829 . 7 1 1 A 96 96 VAL CB C 118 35.098 33.749 1.349 1
1 831 . 7 1 1 A 96 96 VAL N N 118 126.585 126.669 -0.084 1
1 832 . 7 1 1 A 97 97 SER H H 119 9.032 8.757 0.275 1
1 833 . 7 1 1 A 97 97 SER HA H 119 5.543 5.428 0.115 1
1 835 . 7 1 1 A 97 97 SER CA C 119 56.290 56.496 -0.206 1
1 836 . 7 1 1 A 97 97 SER CB C 119 65.799 65.668 0.131 1
1 837 . 7 1 1 A 97 97 SER N N 119 121.395 123.018 -1.623 1
1 838 . 7 1 1 A 98 98 VAL H H 120 8.402 9.314 -0.912 1
1 839 . 7 1 1 A 98 98 VAL HA H 120 4.027 4.014 0.013 1
1 847 . 7 1 1 A 98 98 VAL CA C 120 62.212 63.827 -1.615 1
1 848 . 7 1 1 A 98 98 VAL CB C 120 29.250 31.192 -1.942 1
1 851 . 7 1 1 A 98 98 VAL N N 120 124.771 127.097 -2.326 1
1 852 . 7 1 1 A 99 99 VAL H H 121 8.361 8.967 -0.606 1
1 853 . 7 1 1 A 99 99 VAL HA H 121 3.723 4.040 -0.317 1
1 858 . 7 1 1 A 99 99 VAL CA C 121 65.202 64.324 0.878 1
1 859 . 7 1 1 A 99 99 VAL CB C 121 32.718 32.757 -0.039 1
1 861 . 7 1 1 A 99 99 VAL N N 121 128.844 128.680 0.164 1
1 862 . 7 1 1 A 100 100 GLU H H 122 7.188 7.708 -0.520 1
1 863 . 7 1 1 A 100 100 GLU HA H 122 4.726 4.806 -0.080 1
1 866 . 7 1 1 A 100 100 GLU CA C 122 54.951 55.759 -0.808 1
1 867 . 7 1 1 A 100 100 GLU CB C 122 34.111 33.234 0.877 1
1 868 . 7 1 1 A 100 100 GLU N N 122 113.832 116.866 -3.034 1
1 869 . 7 1 1 A 101 101 ALA H H 123 8.708 8.528 0.180 1
1 870 . 7 1 1 A 101 101 ALA HA H 123 4.365 4.854 -0.489 1
1 874 . 7 1 1 A 101 101 ALA CA C 123 52.217 50.588 1.629 1
1 875 . 7 1 1 A 101 101 ALA CB C 123 21.568 20.653 0.915 1
1 876 . 7 1 1 A 101 101 ALA N N 123 124.349 124.401 -0.052 1
1 877 . 7 1 1 A 105 105 GLU HA H 127 3.719 4.535 -0.816 1
1 878 . 7 1 1 A 105 105 GLU CA C 127 59.422 57.330 2.092 1
1 879 . 7 1 1 A 105 105 GLU CB C 127 35.689 33.043 2.646 1
1 880 . 7 1 1 A 106 106 TYR H H 128 9.359 7.955 1.404 1
1 881 . 7 1 1 A 106 106 TYR HA H 128 6.292 5.502 0.790 1
1 885 . 7 1 1 A 106 106 TYR CA C 128 58.184 55.465 2.719 1
1 886 . 7 1 1 A 106 106 TYR CB C 128 42.417 42.352 0.065 1
1 889 . 7 1 1 A 106 106 TYR N N 128 118.441 117.326 1.115 1
1 890 . 7 1 1 A 107 107 ALA H H 129 9.057 8.690 0.367 1
1 891 . 7 1 1 A 107 107 ALA HA H 129 4.724 5.285 -0.561 1
1 895 . 7 1 1 A 107 107 ALA CA C 129 51.666 50.277 1.389 1
1 896 . 7 1 1 A 107 107 ALA CB C 129 22.720 23.588 -0.868 1
1 897 . 7 1 1 A 107 107 ALA N N 129 120.309 122.672 -2.363 1
1 898 . 7 1 1 A 108 108 LEU H H 130 8.889 8.190 0.699 1
1 899 . 7 1 1 A 108 108 LEU HA H 130 5.191 5.055 0.136 1
1 908 . 7 1 1 A 108 108 LEU CA C 130 53.730 53.861 -0.131 1
1 909 . 7 1 1 A 108 108 LEU CB C 130 43.792 43.267 0.525 1
1 912 . 7 1 1 A 108 108 LEU N N 130 122.798 121.435 1.363 1
1 913 . 7 1 1 A 109 109 LEU H H 131 9.168 9.543 -0.375 1
1 914 . 7 1 1 A 109 109 LEU HA H 131 5.410 5.264 0.146 1
1 924 . 7 1 1 A 109 109 LEU CA C 131 54.387 54.036 0.351 1
1 925 . 7 1 1 A 109 109 LEU CB C 131 45.159 45.190 -0.031 1
1 929 . 7 1 1 A 109 109 LEU N N 131 126.359 125.044 1.315 1
1 930 . 7 1 1 A 110 110 PHE H H 132 9.150 9.077 0.073 1
1 931 . 7 1 1 A 110 110 PHE HA H 132 5.687 5.268 0.419 1
1 935 . 7 1 1 A 110 110 PHE CA C 132 56.501 56.462 0.039 1
1 936 . 7 1 1 A 110 110 PHE CB C 132 43.567 41.858 1.709 1
1 937 . 7 1 1 A 110 110 PHE N N 132 120.892 122.095 -1.203 1
1 938 . 7 1 1 A 111 111 SER H H 133 8.978 9.751 -0.773 1
1 939 . 7 1 1 A 111 111 SER HA H 133 5.702 5.478 0.224 1
1 941 . 7 1 1 A 111 111 SER CA C 133 55.789 56.172 -0.383 1
1 942 . 7 1 1 A 111 111 SER CB C 133 65.521 65.765 -0.244 1
1 943 . 7 1 1 A 111 111 SER N N 133 125.184 118.124 7.060 1
1 944 . 7 1 1 A 112 112 ARG H H 134 8.581 8.940 -0.359 1
1 945 . 7 1 1 A 112 112 ARG HA H 134 5.151 5.299 -0.148 1
1 950 . 7 1 1 A 112 112 ARG CA C 134 53.502 54.217 -0.715 1
1 951 . 7 1 1 A 112 112 ARG CB C 134 34.324 34.067 0.257 1
1 954 . 7 1 1 A 112 112 ARG N N 134 120.408 123.950 -3.542 1
1 955 . 7 1 1 A 113 113 GLY H H 135 8.195 8.967 -0.772 1
1 956 . 7 1 1 A 113 113 GLY HA2 H 135 4.108 4.324 -0.216 1
1 957 . 7 1 1 A 113 113 GLY HA3 H 135 4.342 4.503 -0.161 1
1 958 . 7 1 1 A 113 113 GLY CA C 135 45.735 44.402 1.333 1
1 959 . 7 1 1 A 113 113 GLY N N 135 108.687 111.511 -2.824 1
1 960 . 7 1 1 A 114 114 THR H H 136 8.437 9.123 -0.686 1
1 961 . 7 1 1 A 114 114 THR HA H 136 4.686 4.299 0.387 1
1 966 . 7 1 1 A 114 114 THR CA C 136 61.317 63.889 -2.572 1
1 967 . 7 1 1 A 114 114 THR CB C 136 70.640 69.095 1.545 1
1 969 . 7 1 1 A 114 114 THR N N 136 112.383 114.445 -2.062 1
1 970 . 7 1 1 A 115 115 LYS H H 137 8.042 8.147 -0.105 1
1 971 . 7 1 1 A 115 115 LYS HA H 137 4.457 4.051 0.406 1
1 976 . 7 1 1 A 115 115 LYS CA C 137 56.861 57.001 -0.140 1
1 977 . 7 1 1 A 115 115 LYS CB C 137 34.523 31.537 2.986 1
1 981 . 7 1 1 A 115 115 LYS N N 137 121.031 119.174 1.857 1
1 982 . 7 1 1 A 116 116 GLY H H 138 8.574 8.805 -0.231 1
1 983 . 7 1 1 A 116 116 GLY HA2 H 138 3.894 3.934 -0.040 1
1 984 . 7 1 1 A 116 116 GLY HA3 H 138 4.566 3.938 0.628 1
1 985 . 7 1 1 A 116 116 GLY CA C 138 44.217 46.085 -1.868 1
1 986 . 7 1 1 A 116 116 GLY N N 138 112.843 114.452 -1.609 1
1 987 . 7 1 1 A 117 117 PRO HA H 139 4.452 4.584 -0.132 1
1 992 . 7 1 1 A 117 117 PRO CA C 139 63.920 62.741 1.179 1
1 993 . 7 1 1 A 117 117 PRO CB C 139 31.786 29.981 1.805 1
1 996 . 7 1 1 A 118 118 GLY H H 140 8.835 8.531 0.304 1
1 997 . 7 1 1 A 118 118 GLY HA2 H 140 4.030 3.953 0.077 1
1 998 . 7 1 1 A 118 118 GLY HA3 H 140 4.187 3.964 0.223 1
1 999 . 7 1 1 A 118 118 GLY CA C 140 45.949 46.621 -0.672 1
1 1000 . 7 1 1 A 118 118 GLY N N 140 110.324 109.083 1.241 1
1 1001 . 7 1 1 A 119 119 GLN H H 141 8.062 8.547 -0.485 1
1 1002 . 7 1 1 A 119 119 GLN HA H 141 4.067 4.456 -0.389 1
1 1005 . 7 1 1 A 119 119 GLN CA C 141 57.874 55.784 2.090 1
1 1006 . 7 1 1 A 119 119 GLN CB C 141 28.638 28.941 -0.303 1
1 1008 . 7 1 1 A 119 119 GLN N N 141 119.674 119.241 0.433 1
1 1009 . 7 1 1 A 120 120 ASP H H 142 8.554 7.761 0.793 1
1 1010 . 7 1 1 A 120 120 ASP HA H 142 4.606 4.422 0.184 1
1 1012 . 7 1 1 A 120 120 ASP CA C 142 54.348 54.861 -0.513 1
1 1013 . 7 1 1 A 120 120 ASP CB C 142 40.529 38.419 2.110 1
1 1014 . 7 1 1 A 120 120 ASP N N 142 117.596 118.532 -0.936 1
1 1015 . 7 1 1 A 121 121 PHE H H 143 7.890 9.056 -1.166 1
1 1016 . 7 1 1 A 121 121 PHE HA H 143 4.477 4.810 -0.333 1
1 1021 . 7 1 1 A 121 121 PHE CA C 143 59.232 58.608 0.624 1
1 1022 . 7 1 1 A 121 121 PHE CB C 143 39.898 40.230 -0.332 1
1 1025 . 7 1 1 A 121 121 PHE N N 143 122.226 121.979 0.247 1
1 1026 . 7 1 1 A 122 122 ARG H H 144 7.956 8.200 -0.244 1
1 1027 . 7 1 1 A 122 122 ARG HA H 144 4.664 4.921 -0.257 1
1 1032 . 7 1 1 A 122 122 ARG CA C 144 54.337 54.667 -0.330 1
1 1033 . 7 1 1 A 122 122 ARG CB C 144 34.705 32.277 2.428 1
1 1036 . 7 1 1 A 122 122 ARG N N 144 126.876 125.942 0.934 1
1 1037 . 7 1 1 A 123 123 MET H H 145 8.444 9.729 -1.285 1
1 1038 . 7 1 1 A 123 123 MET HA H 145 5.157 5.160 -0.003 1
1 1042 . 7 1 1 A 123 123 MET CA C 145 54.904 54.007 0.897 1
1 1043 . 7 1 1 A 123 123 MET CB C 145 37.618 36.117 1.501 1
1 1045 . 7 1 1 A 123 123 MET N N 145 121.767 125.311 -3.544 1
1 1046 . 7 1 1 A 124 124 ALA H H 146 9.809 8.668 1.141 1
1 1047 . 7 1 1 A 124 124 ALA HA H 146 5.801 5.079 0.722 1
1 1051 . 7 1 1 A 124 124 ALA CA C 146 50.289 50.256 0.033 1
1 1052 . 7 1 1 A 124 124 ALA CB C 146 22.630 21.995 0.635 1
1 1053 . 7 1 1 A 124 124 ALA N N 146 132.634 127.521 5.113 1
1 1054 . 7 1 1 A 125 125 THR H H 147 9.169 9.444 -0.275 1
1 1055 . 7 1 1 A 125 125 THR HA H 147 4.974 5.335 -0.361 1
1 1060 . 7 1 1 A 125 125 THR CA C 147 62.270 61.378 0.892 1
1 1061 . 7 1 1 A 125 125 THR CB C 147 71.431 72.072 -0.641 1
1 1063 . 7 1 1 A 125 125 THR N N 147 118.001 115.832 2.169 1
1 1064 . 7 1 1 A 126 126 LEU H H 148 8.287 8.576 -0.289 1
1 1065 . 7 1 1 A 126 126 LEU HA H 148 4.994 4.840 0.154 1
1 1072 . 7 1 1 A 126 126 LEU CA C 148 52.917 53.477 -0.560 1
1 1073 . 7 1 1 A 126 126 LEU CB C 148 42.487 43.114 -0.627 1
1 1076 . 7 1 1 A 126 126 LEU N N 148 128.462 127.426 1.036 1
1 1077 . 7 1 1 A 127 127 TYR H H 149 9.352 8.522 0.830 1
1 1078 . 7 1 1 A 127 127 TYR HA H 149 5.745 4.747 0.998 1
1 1082 . 7 1 1 A 127 127 TYR CA C 149 55.277 59.034 -3.757 1
1 1083 . 7 1 1 A 127 127 TYR CB C 149 40.105 39.534 0.571 1
1 1085 . 7 1 1 A 127 127 TYR N N 149 127.854 127.184 0.670 1
1 1086 . 7 1 1 A 128 128 SER H H 150 9.808 8.338 1.470 1
1 1087 . 7 1 1 A 128 128 SER HA H 150 6.032 5.022 1.010 1
1 1090 . 7 1 1 A 128 128 SER CA C 150 55.349 57.434 -2.085 1
1 1091 . 7 1 1 A 128 128 SER CB C 150 66.028 65.489 0.539 1
1 1092 . 7 1 1 A 128 128 SER N N 150 113.673 118.417 -4.744 1
1 1093 . 7 1 1 A 129 129 ARG H H 151 8.667 8.801 -0.134 1
1 1094 . 7 1 1 A 129 129 ARG HA H 151 4.184 4.242 -0.058 1
1 1096 . 7 1 1 A 129 129 ARG CA C 151 56.959 58.484 -1.525 1
1 1097 . 7 1 1 A 129 129 ARG CB C 151 31.553 30.173 1.380 1
1 1098 . 7 1 1 A 129 129 ARG N N 151 126.102 123.427 2.675 1
1 1099 . 7 1 1 A 130 130 THR H H 152 8.244 7.517 0.727 1
1 1100 . 7 1 1 A 130 130 THR HA H 152 4.879 3.514 1.365 1
1 1105 . 7 1 1 A 130 130 THR CA C 152 59.501 60.350 -0.849 1
1 1106 . 7 1 1 A 130 130 THR CB C 152 71.244 70.051 1.193 1
1 1108 . 7 1 1 A 130 130 THR N N 152 108.224 108.915 -0.691 1
1 1109 . 7 1 1 A 131 131 GLN H H 153 8.765 8.311 0.454 1
1 1110 . 7 1 1 A 131 131 GLN HA H 153 3.664 4.167 -0.503 1
1 1117 . 7 1 1 A 131 131 GLN CA C 153 57.614 58.236 -0.622 1
1 1118 . 7 1 1 A 131 131 GLN CB C 153 28.738 28.230 0.508 1
1 1120 . 7 1 1 A 131 131 GLN N N 153 119.385 118.548 0.837 1
1 1122 . 7 1 1 A 132 132 THR H H 154 7.242 7.379 -0.137 1
1 1123 . 7 1 1 A 132 132 THR HA H 154 4.309 4.302 0.007 1
1 1128 . 7 1 1 A 132 132 THR CA C 154 60.406 61.306 -0.900 1
1 1129 . 7 1 1 A 132 132 THR CB C 154 70.006 68.595 1.411 1
1 1131 . 7 1 1 A 132 132 THR N N 154 108.689 116.182 -7.493 1
1 1132 . 7 1 1 A 133 133 LEU H H 155 8.608 8.534 0.074 1
1 1133 . 7 1 1 A 133 133 LEU HA H 155 4.631 5.173 -0.542 1
1 1143 . 7 1 1 A 133 133 LEU CA C 155 53.415 52.948 0.467 1
1 1144 . 7 1 1 A 133 133 LEU CB C 155 44.570 44.725 -0.155 1
1 1148 . 7 1 1 A 133 133 LEU N N 155 124.560 123.896 0.664 1
1 1149 . 7 1 1 A 134 134 LYS H H 156 8.157 8.674 -0.517 1
1 1150 . 7 1 1 A 134 134 LYS HA H 156 4.374 4.578 -0.204 1
1 1156 . 7 1 1 A 134 134 LYS CA C 156 56.031 55.196 0.835 1
1 1157 . 7 1 1 A 134 134 LYS CB C 156 33.505 34.171 -0.666 1
1 1161 . 7 1 1 A 134 134 LYS N N 156 123.852 124.172 -0.320 1
1 1162 . 7 1 1 A 135 135 ASP H H 157 8.974 8.838 0.136 1
1 1163 . 7 1 1 A 135 135 ASP HA H 157 4.143 4.154 -0.011 1
1 1165 . 7 1 1 A 135 135 ASP CA C 157 58.252 56.996 1.256 1
1 1166 . 7 1 1 A 135 135 ASP CB C 157 39.857 40.159 -0.302 1
1 1167 . 7 1 1 A 135 135 ASP N N 157 124.197 125.456 -1.259 1
1 1168 . 7 1 1 A 136 136 GLU H H 158 9.287 7.968 1.319 1
1 1169 . 7 1 1 A 136 136 GLU HA H 158 4.141 4.103 0.038 1
1 1173 . 7 1 1 A 136 136 GLU CA C 158 59.348 58.827 0.521 1
1 1174 . 7 1 1 A 136 136 GLU CB C 158 28.638 29.427 -0.789 1
1 1176 . 7 1 1 A 136 136 GLU N N 158 117.885 119.664 -1.779 1
1 1177 . 7 1 1 A 137 137 LEU H H 159 7.246 8.104 -0.858 1
1 1178 . 7 1 1 A 137 137 LEU HA H 159 4.053 4.056 -0.003 1
1 1187 . 7 1 1 A 137 137 LEU CA C 159 56.663 56.933 -0.270 1
1 1188 . 7 1 1 A 137 137 LEU CB C 159 41.666 41.199 0.467 1
1 1192 . 7 1 1 A 137 137 LEU N N 159 119.393 121.065 -1.672 1
1 1193 . 7 1 1 A 138 138 LYS H H 160 7.383 9.183 -1.800 1
1 1194 . 7 1 1 A 138 138 LYS HA H 160 3.997 3.303 0.694 1
1 1200 . 7 1 1 A 138 138 LYS CA C 160 60.416 58.708 1.708 1
1 1201 . 7 1 1 A 138 138 LYS CB C 160 31.478 31.362 0.116 1
1 1205 . 7 1 1 A 138 138 LYS N N 160 119.612 121.361 -1.749 1
1 1206 . 7 1 1 A 139 139 GLU H H 161 7.978 8.250 -0.272 1
1 1207 . 7 1 1 A 139 139 GLU HA H 161 4.176 4.417 -0.241 1
1 1211 . 7 1 1 A 139 139 GLU CA C 161 59.139 59.227 -0.088 1
1 1212 . 7 1 1 A 139 139 GLU CB C 161 28.417 29.135 -0.718 1
1 1214 . 7 1 1 A 139 139 GLU N N 161 119.510 118.760 0.750 1
1 1215 . 7 1 1 A 140 140 LYS H H 162 7.860 7.684 0.176 1
1 1216 . 7 1 1 A 140 140 LYS HA H 162 4.089 4.103 -0.014 1
1 1225 . 7 1 1 A 140 140 LYS CA C 162 59.541 59.093 0.448 1
1 1226 . 7 1 1 A 140 140 LYS CB C 162 32.078 32.148 -0.070 1
1 1230 . 7 1 1 A 140 140 LYS N N 162 120.614 119.500 1.114 1
1 1231 . 7 1 1 A 141 141 PHE H H 163 8.548 7.812 0.736 1
1 1232 . 7 1 1 A 141 141 PHE HA H 163 4.444 4.300 0.144 1
1 1235 . 7 1 1 A 141 141 PHE CA C 163 61.551 60.980 0.571 1
1 1236 . 7 1 1 A 141 141 PHE CB C 163 39.975 39.268 0.707 1
1 1237 . 7 1 1 A 141 141 PHE N N 163 119.075 120.732 -1.657 1
1 1238 . 7 1 1 A 142 142 THR H H 164 8.791 7.753 1.038 1
1 1239 . 7 1 1 A 142 142 THR HA H 164 3.721 4.007 -0.286 1
1 1244 . 7 1 1 A 142 142 THR CA C 164 67.495 65.466 2.029 1
1 1245 . 7 1 1 A 142 142 THR CB C 164 68.330 68.182 0.148 1
1 1247 . 7 1 1 A 142 142 THR N N 164 120.224 113.235 6.989 1
1 1248 . 7 1 1 A 143 143 THR H H 165 8.536 8.550 -0.014 1
1 1249 . 7 1 1 A 143 143 THR HA H 165 3.764 3.905 -0.141 1
1 1254 . 7 1 1 A 143 143 THR CA C 165 66.989 66.825 0.164 1
1 1255 . 7 1 1 A 143 143 THR CB C 165 68.641 68.468 0.173 1
1 1257 . 7 1 1 A 143 143 THR N N 165 118.456 117.807 0.649 1
1 1258 . 7 1 1 A 144 144 PHE H H 166 8.264 8.326 -0.062 1
1 1259 . 7 1 1 A 144 144 PHE HA H 166 4.207 4.118 0.089 1
1 1264 . 7 1 1 A 144 144 PHE CA C 166 61.233 61.833 -0.600 1
1 1265 . 7 1 1 A 144 144 PHE CB C 166 39.772 38.840 0.932 1
1 1266 . 7 1 1 A 144 144 PHE N N 166 122.676 122.065 0.611 1
1 1267 . 7 1 1 A 145 145 SER H H 167 8.077 8.113 -0.036 1
1 1268 . 7 1 1 A 145 145 SER HA H 167 3.283 3.745 -0.462 1
1 1270 . 7 1 1 A 145 145 SER CA C 167 64.031 61.307 2.724 1
1 1271 . 7 1 1 A 145 145 SER CB C 167 62.339 62.990 -0.651 1
1 1272 . 7 1 1 A 145 145 SER N N 167 115.714 114.079 1.635 1
1 1273 . 7 1 1 A 146 146 LYS H H 168 8.000 7.721 0.279 1
1 1274 . 7 1 1 A 146 146 LYS HA H 168 4.434 4.044 0.390 1
1 1278 . 7 1 1 A 146 146 LYS CA C 168 58.915 58.801 0.114 1
1 1279 . 7 1 1 A 146 146 LYS CB C 168 32.022 32.078 -0.056 1
1 1283 . 7 1 1 A 146 146 LYS N N 168 121.529 121.078 0.451 1
1 1284 . 7 1 1 A 147 147 ALA H H 169 7.726 7.463 0.263 1
1 1285 . 7 1 1 A 147 147 ALA HA H 169 4.079 4.014 0.065 1
1 1289 . 7 1 1 A 147 147 ALA CA C 169 54.255 54.485 -0.230 1
1 1290 . 7 1 1 A 147 147 ALA CB C 169 17.264 18.174 -0.910 1
1 1291 . 7 1 1 A 147 147 ALA N N 169 123.249 121.462 1.787 1
1 1292 . 7 1 1 A 148 148 GLN H H 170 7.058 7.503 -0.445 1
1 1293 . 7 1 1 A 148 148 GLN HA H 170 4.139 4.178 -0.039 1
1 1299 . 7 1 1 A 148 148 GLN CA C 170 53.091 55.805 -2.714 1
1 1300 . 7 1 1 A 148 148 GLN CB C 170 26.931 29.243 -2.312 1
1 1302 . 7 1 1 A 148 148 GLN N N 170 113.952 115.198 -1.246 1
1 1304 . 7 1 1 A 149 149 GLY H H 171 7.651 8.088 -0.437 1
1 1305 . 7 1 1 A 149 149 GLY HA2 H 171 3.650 3.899 -0.249 1
1 1306 . 7 1 1 A 149 149 GLY HA3 H 171 4.076 3.900 0.176 1
1 1307 . 7 1 1 A 149 149 GLY CA C 171 45.335 46.317 -0.982 1
1 1308 . 7 1 1 A 149 149 GLY N N 171 106.210 108.584 -2.374 1
1 1309 . 7 1 1 A 150 150 LEU H H 172 7.395 7.633 -0.238 1
1 1310 . 7 1 1 A 150 150 LEU HA H 172 4.543 4.739 -0.196 1
1 1319 . 7 1 1 A 150 150 LEU CA C 172 53.499 52.668 0.831 1
1 1320 . 7 1 1 A 150 150 LEU CB C 172 40.838 44.592 -3.754 1
1 1324 . 7 1 1 A 150 150 LEU N N 172 120.964 120.219 0.745 1
1 1325 . 7 1 1 A 151 151 THR H H 173 8.270 8.646 -0.376 1
1 1326 . 7 1 1 A 151 151 THR HA H 173 4.515 4.646 -0.131 1
1 1331 . 7 1 1 A 151 151 THR CA C 173 60.236 61.262 -1.026 1
1 1332 . 7 1 1 A 151 151 THR CB C 173 71.307 70.520 0.787 1
1 1334 . 7 1 1 A 151 151 THR N N 173 110.762 114.920 -4.158 1
1 1335 . 7 1 1 A 152 152 GLU H H 174 9.041 8.951 0.090 1
1 1336 . 7 1 1 A 152 152 GLU HA H 174 3.908 4.009 -0.101 1
1 1340 . 7 1 1 A 152 152 GLU CA C 174 60.190 59.832 0.358 1
1 1341 . 7 1 1 A 152 152 GLU CB C 174 28.823 29.569 -0.746 1
1 1343 . 7 1 1 A 152 152 GLU N N 174 118.629 123.440 -4.811 1
1 1344 . 7 1 1 A 153 153 GLU H H 175 8.200 8.533 -0.333 1
1 1345 . 7 1 1 A 153 153 GLU HA H 175 4.222 4.085 0.137 1
1 1349 . 7 1 1 A 153 153 GLU CA C 175 58.093 58.712 -0.619 1
1 1350 . 7 1 1 A 153 153 GLU CB C 175 28.697 28.244 0.453 1
1 1352 . 7 1 1 A 153 153 GLU N N 175 115.885 118.353 -2.468 1
1 1353 . 7 1 1 A 154 154 ASP H H 176 7.833 7.777 0.056 1
1 1354 . 7 1 1 A 154 154 ASP HA H 176 4.873 4.845 0.028 1
1 1357 . 7 1 1 A 154 154 ASP CA C 176 53.936 55.784 -1.848 1
1 1358 . 7 1 1 A 154 154 ASP CB C 176 41.470 40.944 0.526 1
1 1359 . 7 1 1 A 154 154 ASP N N 176 118.196 119.839 -1.643 1
1 1360 . 7 1 1 A 155 155 ILE H H 177 7.007 7.821 -0.814 1
1 1361 . 7 1 1 A 155 155 ILE HA H 177 4.367 4.542 -0.175 1
1 1369 . 7 1 1 A 155 155 ILE CA C 177 61.493 59.986 1.507 1
1 1370 . 7 1 1 A 155 155 ILE CB C 177 40.374 40.025 0.349 1
1 1374 . 7 1 1 A 155 155 ILE N N 177 117.852 119.511 -1.659 1
1 1375 . 7 1 1 A 156 156 VAL H H 178 9.203 9.368 -0.165 1
1 1376 . 7 1 1 A 156 156 VAL HA H 178 4.544 4.705 -0.161 1
1 1381 . 7 1 1 A 156 156 VAL CA C 178 60.448 61.308 -0.860 1
1 1382 . 7 1 1 A 156 156 VAL CB C 178 36.233 35.496 0.737 1
1 1384 . 7 1 1 A 156 156 VAL N N 178 126.166 125.746 0.420 1
1 1385 . 7 1 1 A 157 157 PHE H H 179 8.718 9.147 -0.429 1
1 1386 . 7 1 1 A 157 157 PHE HA H 179 5.010 5.037 -0.027 1
1 1391 . 7 1 1 A 157 157 PHE CA C 179 58.363 56.597 1.766 1
1 1392 . 7 1 1 A 157 157 PHE CB C 179 38.344 39.949 -1.605 1
1 1394 . 7 1 1 A 157 157 PHE N N 179 124.905 126.211 -1.306 1
1 1395 . 7 1 1 A 158 158 LEU H H 180 7.459 8.362 -0.903 1
1 1396 . 7 1 1 A 158 158 LEU HA H 180 4.402 4.309 0.093 1
1 1397 . 7 1 1 A 158 158 LEU CA C 180 53.074 53.404 -0.330 1
1 1398 . 7 1 1 A 158 158 LEU CB C 180 41.738 41.057 0.681 1
1 1399 . 7 1 1 A 158 158 LEU N N 180 125.466 126.163 -0.697 1
1 1400 . 7 1 1 A 159 159 PRO HA H 181 4.771 4.598 0.173 1
1 1401 . 7 1 1 A 159 159 PRO CA C 181 61.916 62.135 -0.219 1
1 1402 . 7 1 1 A 159 159 PRO CB C 181 32.363 32.938 -0.575 1
1 1405 . 7 1 1 A 161 161 PRO HA H 183 4.666 4.803 -0.137 1
1 1409 . 7 1 1 A 161 161 PRO CA C 183 62.292 62.678 -0.386 1
1 1410 . 7 1 1 A 161 161 PRO CB C 183 33.337 33.486 -0.149 1
1 1412 . 7 1 1 A 162 162 ASP H H 184 8.449 9.004 -0.555 1
1 1413 . 7 1 1 A 162 162 ASP HA H 184 4.467 4.903 -0.436 1
1 1416 . 7 1 1 A 162 162 ASP CA C 184 54.064 55.188 -1.124 1
1 1417 . 7 1 1 A 162 162 ASP CB C 184 39.919 43.423 -3.504 1
1 1418 . 7 1 1 A 162 162 ASP N N 184 117.032 119.772 -2.740 1
1 1419 . 7 1 1 A 163 163 LYS H H 185 7.195 7.707 -0.512 1
1 1420 . 7 1 1 A 163 163 LYS HA H 185 4.588 4.563 0.025 1
1 1426 . 7 1 1 A 163 163 LYS CA C 185 55.499 55.517 -0.018 1
1 1427 . 7 1 1 A 163 163 LYS CB C 185 35.558 35.139 0.419 1
1 1431 . 7 1 1 A 163 163 LYS N N 185 115.300 116.180 -0.880 1
1 1432 . 7 1 1 A 164 164 CYS H H 186 8.427 8.736 -0.309 1
1 1433 . 7 1 1 A 164 164 CYS HA H 186 4.313 4.149 0.164 1
1 1436 . 7 1 1 A 164 164 CYS CA C 186 57.607 57.104 0.503 1
1 1437 . 7 1 1 A 164 164 CYS CB C 186 35.042 40.978 -5.936 1
1 1438 . 7 1 1 A 164 164 CYS N N 186 107.133 119.756 -12.623 1
1 1439 . 7 1 1 A 165 165 ILE H H 187 7.881 8.159 -0.278 1
1 1440 . 7 1 1 A 165 165 ILE HA H 187 4.549 4.256 0.293 1
1 1450 . 7 1 1 A 165 165 ILE CA C 187 61.529 62.504 -0.975 1
1 1451 . 7 1 1 A 165 165 ILE CB C 187 39.748 40.317 -0.569 1
1 1455 . 7 1 1 A 165 165 ILE N N 187 113.570 117.986 -4.416 1
1 1456 . 7 1 1 A 166 166 GLN H H 188 8.308 7.635 0.673 1
1 1457 . 7 1 1 A 166 166 GLN HA H 188 4.303 4.304 -0.001 1
1 1462 . 7 1 1 A 166 166 GLN CA C 188 56.928 56.369 0.559 1
1 1463 . 7 1 1 A 166 166 GLN CB C 188 28.637 28.759 -0.122 1
1 1465 . 7 1 1 A 166 166 GLN N N 188 122.915 120.815 2.100 1
1 3 . 8 1 1 A 2 2 SER H H 24 8.695 8.447 0.248 1
1 4 . 8 1 1 A 2 2 SER HA H 24 4.531 4.537 -0.006 1
1 6 . 8 1 1 A 2 2 SER CA C 24 58.296 58.491 -0.195 1
1 7 . 8 1 1 A 2 2 SER CB C 24 63.897 63.639 0.258 1
1 8 . 8 1 1 A 2 2 SER N N 24 115.751 117.115 -1.364 1
1 9 . 8 1 1 A 3 3 GLN H H 25 8.618 8.906 -0.288 1
1 10 . 8 1 1 A 3 3 GLN HA H 25 4.367 3.912 0.455 1
1 14 . 8 1 1 A 3 3 GLN CA C 25 56.059 56.803 -0.744 1
1 15 . 8 1 1 A 3 3 GLN CB C 25 29.248 27.565 1.683 1
1 17 . 8 1 1 A 3 3 GLN N N 25 122.346 120.206 2.140 1
1 18 . 8 1 1 A 4 4 GLY H H 26 8.431 8.626 -0.195 1
1 19 . 8 1 1 A 4 4 GLY HA2 H 26 3.904 4.116 -0.212 1
1 20 . 8 1 1 A 4 4 GLY CA C 26 45.171 44.515 0.656 1
1 21 . 8 1 1 A 4 4 GLY N N 26 109.885 112.092 -2.207 1
1 22 . 8 1 1 A 5 5 HIS H H 27 8.342 8.131 0.211 1
1 23 . 8 1 1 A 5 5 HIS HA H 27 4.750 4.875 -0.125 1
1 27 . 8 1 1 A 5 5 HIS CA C 27 54.946 53.868 1.078 1
1 28 . 8 1 1 A 5 5 HIS CB C 27 29.344 29.247 0.097 1
1 30 . 8 1 1 A 5 5 HIS N N 27 117.765 120.694 -2.929 1
1 31 . 8 1 1 A 6 6 ASP H H 28 8.518 8.164 0.354 1
1 32 . 8 1 1 A 6 6 ASP HA H 28 4.735 4.128 0.607 1
1 35 . 8 1 1 A 6 6 ASP CA C 28 54.282 54.813 -0.531 1
1 36 . 8 1 1 A 6 6 ASP CB C 28 41.098 39.144 1.954 1
1 37 . 8 1 1 A 6 6 ASP N N 28 121.910 114.731 7.179 1
1 38 . 8 1 1 A 7 7 THR H H 29 8.250 7.828 0.422 1
1 39 . 8 1 1 A 7 7 THR HA H 29 4.343 4.027 0.316 1
1 44 . 8 1 1 A 7 7 THR CA C 29 62.124 64.722 -2.598 1
1 45 . 8 1 1 A 7 7 THR CB C 29 69.861 68.703 1.158 1
1 47 . 8 1 1 A 7 7 THR N N 29 116.925 113.013 3.912 1
1 48 . 8 1 1 A 8 8 VAL H H 30 7.798 7.904 -0.106 1
1 49 . 8 1 1 A 8 8 VAL HA H 30 4.369 4.631 -0.262 1
1 54 . 8 1 1 A 8 8 VAL CA C 30 60.171 60.445 -0.274 1
1 55 . 8 1 1 A 8 8 VAL CB C 30 34.758 35.441 -0.683 1
1 57 . 8 1 1 A 8 8 VAL N N 30 119.837 119.589 0.248 1
1 58 . 8 1 1 A 9 9 GLN H H 31 8.472 8.695 -0.223 1
1 59 . 8 1 1 A 9 9 GLN HA H 31 4.383 4.920 -0.537 1
1 63 . 8 1 1 A 9 9 GLN CA C 31 53.204 52.071 1.133 1
1 64 . 8 1 1 A 9 9 GLN CB C 31 29.785 29.767 0.018 1
1 66 . 8 1 1 A 9 9 GLN N N 31 127.192 126.712 0.480 1
1 68 . 8 1 1 A 10 10 PRO HA H 32 4.426 4.562 -0.136 1
1 73 . 8 1 1 A 10 10 PRO CA C 32 63.431 63.157 0.274 1
1 74 . 8 1 1 A 10 10 PRO CB C 32 32.297 31.675 0.622 1
1 77 . 8 1 1 A 11 11 ASN H H 33 8.972 9.002 -0.030 1
1 78 . 8 1 1 A 11 11 ASN HA H 33 4.539 5.166 -0.627 1
1 83 . 8 1 1 A 11 11 ASN CA C 33 53.563 52.883 0.680 1
1 84 . 8 1 1 A 11 11 ASN CB C 33 37.923 38.756 -0.833 1
1 85 . 8 1 1 A 11 11 ASN N N 33 119.013 122.924 -3.911 1
1 87 . 8 1 1 A 12 12 PHE H H 34 7.996 9.271 -1.275 1
1 88 . 8 1 1 A 12 12 PHE HA H 34 4.186 5.223 -1.037 1
1 91 . 8 1 1 A 12 12 PHE CA C 34 59.402 57.396 2.006 1
1 92 . 8 1 1 A 12 12 PHE CB C 34 39.516 41.031 -1.515 1
1 93 . 8 1 1 A 12 12 PHE N N 34 119.073 124.661 -5.588 1
1 94 . 8 1 1 A 13 13 GLN H H 35 7.402 9.101 -1.699 1
1 95 . 8 1 1 A 13 13 GLN HA H 35 4.303 4.644 -0.341 1
1 101 . 8 1 1 A 13 13 GLN CA C 35 53.093 54.989 -1.896 1
1 102 . 8 1 1 A 13 13 GLN CB C 35 29.598 30.049 -0.451 1
1 104 . 8 1 1 A 13 13 GLN N N 35 128.226 122.318 5.908 1
1 106 . 8 1 1 A 14 14 GLN H H 36 8.736 9.002 -0.266 1
1 107 . 8 1 1 A 14 14 GLN HA H 36 3.503 3.868 -0.365 1
1 110 . 8 1 1 A 14 14 GLN CA C 36 60.089 58.852 1.237 1
1 111 . 8 1 1 A 14 14 GLN CB C 36 29.596 28.182 1.414 1
1 113 . 8 1 1 A 14 14 GLN N N 36 124.702 123.916 0.786 1
1 114 . 8 1 1 A 15 15 ASP H H 37 8.628 8.138 0.490 1
1 115 . 8 1 1 A 15 15 ASP HA H 37 4.229 4.490 -0.261 1
1 118 . 8 1 1 A 15 15 ASP CA C 37 56.326 56.991 -0.665 1
1 119 . 8 1 1 A 15 15 ASP CB C 37 39.182 40.224 -1.042 1
1 120 . 8 1 1 A 15 15 ASP N N 37 114.027 118.920 -4.893 1
1 121 . 8 1 1 A 16 16 LYS H H 38 6.859 8.009 -1.150 1
1 122 . 8 1 1 A 16 16 LYS HA H 38 4.060 4.153 -0.093 1
1 124 . 8 1 1 A 16 16 LYS CA C 38 56.445 58.948 -2.503 1
1 125 . 8 1 1 A 16 16 LYS CB C 38 31.077 31.625 -0.548 1
1 129 . 8 1 1 A 16 16 LYS N N 38 116.638 120.995 -4.357 1
1 130 . 8 1 1 A 17 17 PHE H H 39 7.454 7.891 -0.437 1
1 131 . 8 1 1 A 17 17 PHE HA H 39 4.822 4.403 0.419 1
1 135 . 8 1 1 A 17 17 PHE CA C 39 57.301 60.337 -3.036 1
1 136 . 8 1 1 A 17 17 PHE CB C 39 42.087 39.171 2.916 1
1 137 . 8 1 1 A 17 17 PHE N N 39 119.221 116.454 2.767 1
1 138 . 8 1 1 A 18 18 LEU H H 40 6.674 7.569 -0.895 1
1 139 . 8 1 1 A 18 18 LEU HA H 40 3.911 5.196 -1.285 1
1 149 . 8 1 1 A 18 18 LEU CA C 40 54.860 53.562 1.298 1
1 150 . 8 1 1 A 18 18 LEU CB C 40 42.421 44.856 -2.435 1
1 154 . 8 1 1 A 18 18 LEU N N 40 112.003 114.905 -2.902 1
1 155 . 8 1 1 A 19 19 GLY H H 41 8.876 8.166 0.710 1
1 156 . 8 1 1 A 19 19 GLY HA2 H 41 3.718 4.142 -0.424 1
1 157 . 8 1 1 A 19 19 GLY HA3 H 41 4.341 4.153 0.188 1
1 158 . 8 1 1 A 19 19 GLY CA C 41 44.093 45.733 -1.640 1
1 159 . 8 1 1 A 19 19 GLY N N 41 107.870 107.117 0.753 1
1 160 . 8 1 1 A 20 20 ARG H H 42 8.678 8.334 0.344 1
1 161 . 8 1 1 A 20 20 ARG HA H 42 4.495 4.779 -0.284 1
1 163 . 8 1 1 A 20 20 ARG CA C 42 56.924 55.481 1.443 1
1 164 . 8 1 1 A 20 20 ARG CB C 42 30.828 31.384 -0.556 1
1 165 . 8 1 1 A 20 20 ARG N N 42 121.873 120.545 1.328 1
1 166 . 8 1 1 A 21 21 TRP H H 43 9.320 9.693 -0.373 1
1 167 . 8 1 1 A 21 21 TRP HA H 43 4.685 5.179 -0.494 1
1 171 . 8 1 1 A 21 21 TRP CA C 43 55.343 55.767 -0.424 1
1 172 . 8 1 1 A 21 21 TRP CB C 43 34.550 34.001 0.549 1
1 174 . 8 1 1 A 21 21 TRP N N 43 130.676 126.208 4.468 1
1 176 . 8 1 1 A 22 22 TYR H H 44 9.661 9.070 0.591 1
1 177 . 8 1 1 A 22 22 TYR HA H 44 5.607 4.972 0.635 1
1 182 . 8 1 1 A 22 22 TYR CA C 44 56.782 56.179 0.603 1
1 183 . 8 1 1 A 22 22 TYR CB C 44 39.975 41.175 -1.200 1
1 186 . 8 1 1 A 22 22 TYR N N 44 117.926 120.357 -2.431 1
1 187 . 8 1 1 A 23 23 SER H H 45 9.249 8.252 0.997 1
1 188 . 8 1 1 A 23 23 SER HA H 45 4.705 3.737 0.968 1
1 191 . 8 1 1 A 23 23 SER CA C 45 57.060 57.250 -0.190 1
1 192 . 8 1 1 A 23 23 SER CB C 45 62.668 61.786 0.882 1
1 193 . 8 1 1 A 23 23 SER N N 45 119.038 119.656 -0.618 1
1 194 . 8 1 1 A 24 24 ALA H H 46 8.724 7.938 0.786 1
1 195 . 8 1 1 A 24 24 ALA HA H 46 4.877 4.657 0.220 1
1 199 . 8 1 1 A 24 24 ALA CA C 46 51.953 50.914 1.039 1
1 200 . 8 1 1 A 24 24 ALA CB C 46 22.855 21.261 1.594 1
1 201 . 8 1 1 A 24 24 ALA N N 46 126.183 128.054 -1.871 1
1 202 . 8 1 1 A 25 25 GLY H H 47 7.820 8.809 -0.989 1
1 203 . 8 1 1 A 25 25 GLY HA2 H 47 2.841 3.356 -0.515 1
1 204 . 8 1 1 A 25 25 GLY HA3 H 47 4.943 3.691 1.252 1
1 205 . 8 1 1 A 25 25 GLY CA C 47 45.285 46.261 -0.976 1
1 206 . 8 1 1 A 25 25 GLY N N 47 107.738 107.819 -0.081 1
1 207 . 8 1 1 A 26 26 LEU H H 48 9.082 8.330 0.752 1
1 208 . 8 1 1 A 26 26 LEU HA H 48 5.454 4.946 0.508 1
1 217 . 8 1 1 A 26 26 LEU CA C 48 54.277 53.726 0.551 1
1 218 . 8 1 1 A 26 26 LEU CB C 48 49.097 45.593 3.504 1
1 222 . 8 1 1 A 26 26 LEU N N 48 125.132 125.610 -0.478 1
1 223 . 8 1 1 A 27 27 ALA H H 49 8.854 8.338 0.516 1
1 224 . 8 1 1 A 27 27 ALA HA H 49 5.571 4.999 0.572 1
1 228 . 8 1 1 A 27 27 ALA CA C 49 50.788 51.175 -0.387 1
1 229 . 8 1 1 A 27 27 ALA CB C 49 24.289 22.373 1.916 1
1 230 . 8 1 1 A 27 27 ALA N N 49 123.650 125.022 -1.372 1
1 231 . 8 1 1 A 28 28 SER H H 50 7.321 8.141 -0.820 1
1 232 . 8 1 1 A 28 28 SER HA H 50 4.625 5.256 -0.631 1
1 235 . 8 1 1 A 28 28 SER CA C 50 56.119 56.499 -0.380 1
1 236 . 8 1 1 A 28 28 SER CB C 50 64.886 65.663 -0.777 1
1 237 . 8 1 1 A 28 28 SER N N 50 113.858 117.510 -3.652 1
1 238 . 8 1 1 A 29 29 ASN H H 51 7.743 8.985 -1.242 1
1 239 . 8 1 1 A 29 29 ASN HA H 51 4.809 4.457 0.352 1
1 244 . 8 1 1 A 29 29 ASN CA C 51 51.651 55.919 -4.268 1
1 245 . 8 1 1 A 29 29 ASN CB C 51 37.860 38.249 -0.389 1
1 246 . 8 1 1 A 29 29 ASN N N 51 120.399 123.961 -3.562 1
1 248 . 8 1 1 A 30 30 SER H H 52 8.156 7.923 0.233 1
1 249 . 8 1 1 A 30 30 SER HA H 52 4.460 4.234 0.226 1
1 252 . 8 1 1 A 30 30 SER CA C 52 58.432 57.884 0.548 1
1 253 . 8 1 1 A 30 30 SER CB C 52 64.745 63.523 1.222 1
1 254 . 8 1 1 A 30 30 SER N N 52 116.012 115.598 0.414 1
1 255 . 8 1 1 A 31 31 SER H H 53 9.142 7.794 1.348 1
1 256 . 8 1 1 A 31 31 SER HA H 53 4.003 4.146 -0.143 1
1 258 . 8 1 1 A 31 31 SER N N 53 120.999 115.472 5.527 1
1 259 . 8 1 1 A 32 32 TRP H H 54 8.030 7.321 0.709 1
1 260 . 8 1 1 A 32 32 TRP HA H 54 4.329 4.132 0.197 1
1 265 . 8 1 1 A 32 32 TRP CA C 54 60.082 60.051 0.031 1
1 266 . 8 1 1 A 32 32 TRP CB C 54 28.641 29.196 -0.555 1
1 268 . 8 1 1 A 32 32 TRP N N 54 121.477 123.028 -1.551 1
1 270 . 8 1 1 A 33 33 PHE H H 55 7.333 8.145 -0.812 1
1 271 . 8 1 1 A 33 33 PHE HA H 55 3.603 4.408 -0.805 1
1 275 . 8 1 1 A 33 33 PHE CA C 55 61.288 60.961 0.327 1
1 276 . 8 1 1 A 33 33 PHE CB C 55 39.446 37.678 1.768 1
1 278 . 8 1 1 A 33 33 PHE N N 55 120.174 118.035 2.139 1
1 279 . 8 1 1 A 34 34 ARG H H 56 7.860 7.442 0.418 1
1 280 . 8 1 1 A 34 34 ARG HA H 56 3.721 4.022 -0.301 1
1 285 . 8 1 1 A 34 34 ARG CA C 56 59.457 59.147 0.310 1
1 286 . 8 1 1 A 34 34 ARG CB C 56 30.014 29.992 0.022 1
1 289 . 8 1 1 A 34 34 ARG N N 56 117.452 121.106 -3.654 1
1 290 . 8 1 1 A 35 35 GLU H H 57 7.715 7.529 0.186 1
1 291 . 8 1 1 A 35 35 GLU HA H 57 4.100 4.115 -0.015 1
1 295 . 8 1 1 A 35 35 GLU CA C 57 57.997 58.840 -0.843 1
1 296 . 8 1 1 A 35 35 GLU CB C 57 29.970 29.445 0.525 1
1 298 . 8 1 1 A 35 35 GLU N N 57 116.049 118.901 -2.852 1
1 299 . 8 1 1 A 36 36 LYS H H 58 7.614 8.009 -0.395 1
1 300 . 8 1 1 A 36 36 LYS HA H 58 4.225 4.479 -0.254 1
1 305 . 8 1 1 A 36 36 LYS CA C 58 55.355 56.038 -0.683 1
1 306 . 8 1 1 A 36 36 LYS CB C 58 32.528 33.327 -0.799 1
1 310 . 8 1 1 A 36 36 LYS N N 58 116.955 118.164 -1.209 1
1 311 . 8 1 1 A 37 37 LYS H H 59 7.546 7.891 -0.345 1
1 312 . 8 1 1 A 37 37 LYS HA H 59 3.403 4.037 -0.634 1
1 315 . 8 1 1 A 37 37 LYS CA C 59 59.757 59.261 0.496 1
1 316 . 8 1 1 A 37 37 LYS CB C 59 31.569 32.160 -0.591 1
1 320 . 8 1 1 A 37 37 LYS N N 59 118.551 120.547 -1.996 1
1 321 . 8 1 1 A 38 38 ALA H H 60 7.940 7.990 -0.050 1
1 322 . 8 1 1 A 38 38 ALA HA H 60 4.215 4.198 0.017 1
1 326 . 8 1 1 A 38 38 ALA CA C 60 53.352 54.320 -0.968 1
1 327 . 8 1 1 A 38 38 ALA CB C 60 19.247 18.584 0.663 1
1 328 . 8 1 1 A 38 38 ALA N N 60 118.227 120.874 -2.647 1
1 329 . 8 1 1 A 39 39 VAL H H 61 7.917 7.887 0.030 1
1 330 . 8 1 1 A 39 39 VAL HA H 61 4.466 4.301 0.165 1
1 338 . 8 1 1 A 39 39 VAL CA C 61 60.339 63.241 -2.902 1
1 339 . 8 1 1 A 39 39 VAL CB C 61 31.626 33.860 -2.234 1
1 342 . 8 1 1 A 39 39 VAL N N 61 111.011 114.174 -3.163 1
1 343 . 8 1 1 A 40 40 LEU H H 62 6.773 8.594 -1.821 1
1 344 . 8 1 1 A 40 40 LEU HA H 62 4.495 4.137 0.358 1
1 350 . 8 1 1 A 40 40 LEU CA C 62 54.357 55.457 -1.100 1
1 351 . 8 1 1 A 40 40 LEU CB C 62 43.272 40.994 2.278 1
1 353 . 8 1 1 A 40 40 LEU N N 62 121.749 120.778 0.971 1
1 354 . 8 1 1 A 41 41 TYR H H 63 8.277 7.988 0.289 1
1 355 . 8 1 1 A 41 41 TYR HA H 63 4.837 5.829 -0.992 1
1 358 . 8 1 1 A 41 41 TYR CA C 63 56.696 55.202 1.494 1
1 359 . 8 1 1 A 41 41 TYR CB C 63 42.753 41.231 1.522 1
1 360 . 8 1 1 A 41 41 TYR N N 63 118.215 122.899 -4.684 1
1 361 . 8 1 1 A 42 42 MET H H 64 8.749 9.087 -0.338 1
1 362 . 8 1 1 A 42 42 MET HA H 64 4.324 5.396 -1.072 1
1 368 . 8 1 1 A 42 42 MET CA C 64 57.707 54.022 3.685 1
1 369 . 8 1 1 A 42 42 MET CB C 64 35.348 34.579 0.769 1
1 372 . 8 1 1 A 42 42 MET N N 64 122.104 122.217 -0.113 1
1 373 . 8 1 1 A 43 43 ALA H H 65 7.715 9.293 -1.578 1
1 374 . 8 1 1 A 43 43 ALA HA H 65 5.260 5.556 -0.296 1
1 378 . 8 1 1 A 43 43 ALA CA C 65 50.030 50.103 -0.073 1
1 379 . 8 1 1 A 43 43 ALA CB C 65 22.614 22.304 0.310 1
1 380 . 8 1 1 A 43 43 ALA N N 65 126.545 126.044 0.501 1
1 381 . 8 1 1 A 44 44 LYS H H 66 8.405 9.625 -1.220 1
1 382 . 8 1 1 A 44 44 LYS HA H 66 4.790 4.642 0.148 1
1 385 . 8 1 1 A 44 44 LYS CA C 66 55.700 55.382 0.318 1
1 386 . 8 1 1 A 44 44 LYS CB C 66 34.887 33.388 1.499 1
1 387 . 8 1 1 A 44 44 LYS N N 66 122.330 122.562 -0.232 1
1 388 . 8 1 1 A 45 45 THR H H 67 9.398 8.423 0.975 1
1 389 . 8 1 1 A 45 45 THR HA H 67 5.067 5.598 -0.531 1
1 394 . 8 1 1 A 45 45 THR CA C 67 62.069 60.592 1.477 1
1 395 . 8 1 1 A 45 45 THR CB C 67 72.034 70.379 1.655 1
1 397 . 8 1 1 A 45 45 THR N N 67 125.471 117.006 8.465 1
1 398 . 8 1 1 A 46 46 VAL H H 68 9.026 8.636 0.390 1
1 399 . 8 1 1 A 46 46 VAL HA H 68 4.510 4.934 -0.424 1
1 404 . 8 1 1 A 46 46 VAL CA C 68 61.532 61.121 0.411 1
1 405 . 8 1 1 A 46 46 VAL CB C 68 33.257 34.730 -1.473 1
1 407 . 8 1 1 A 46 46 VAL N N 68 126.960 123.181 3.779 1
1 408 . 8 1 1 A 47 47 VAL H H 69 9.346 8.827 0.519 1
1 409 . 8 1 1 A 47 47 VAL HA H 69 4.700 4.659 0.041 1
1 417 . 8 1 1 A 47 47 VAL CA C 69 61.990 61.572 0.418 1
1 418 . 8 1 1 A 47 47 VAL CB C 69 32.495 32.639 -0.144 1
1 421 . 8 1 1 A 47 47 VAL N N 69 130.792 129.242 1.550 1
1 422 . 8 1 1 A 48 48 ALA H H 70 9.268 8.986 0.282 1
1 423 . 8 1 1 A 48 48 ALA HA H 70 5.121 4.826 0.295 1
1 427 . 8 1 1 A 48 48 ALA CA C 70 49.710 49.235 0.475 1
1 428 . 8 1 1 A 48 48 ALA CB C 70 21.349 21.940 -0.591 1
1 429 . 8 1 1 A 48 48 ALA N N 70 133.796 129.782 4.014 1
1 430 . 8 1 1 A 49 49 PRO HA H 71 4.842 4.957 -0.115 1
1 433 . 8 1 1 A 49 49 PRO CA C 71 63.040 63.429 -0.389 1
1 434 . 8 1 1 A 49 49 PRO CB C 71 32.195 32.036 0.159 1
1 437 . 8 1 1 A 50 50 SER H H 72 8.025 9.389 -1.364 1
1 438 . 8 1 1 A 50 50 SER HA H 72 4.914 4.935 -0.021 1
1 441 . 8 1 1 A 50 50 SER CA C 72 55.615 57.518 -1.903 1
1 442 . 8 1 1 A 50 50 SER CB C 72 65.439 65.664 -0.225 1
1 443 . 8 1 1 A 50 50 SER N N 72 117.492 118.951 -1.459 1
1 444 . 8 1 1 A 51 51 THR H H 73 8.730 9.093 -0.363 1
1 445 . 8 1 1 A 51 51 THR HA H 73 4.145 4.172 -0.027 1
1 450 . 8 1 1 A 51 51 THR CA C 73 64.544 65.376 -0.832 1
1 451 . 8 1 1 A 51 51 THR CB C 73 68.785 68.580 0.205 1
1 453 . 8 1 1 A 51 51 THR N N 73 116.878 117.176 -0.298 1
1 454 . 8 1 1 A 52 52 GLU H H 74 8.151 7.798 0.353 1
1 455 . 8 1 1 A 52 52 GLU HA H 74 4.475 4.385 0.090 1
1 459 . 8 1 1 A 52 52 GLU CA C 74 56.422 56.241 0.181 1
1 460 . 8 1 1 A 52 52 GLU CB C 74 28.860 30.120 -1.260 1
1 462 . 8 1 1 A 52 52 GLU N N 74 118.204 119.385 -1.181 1
1 463 . 8 1 1 A 53 53 GLY H H 75 7.778 8.770 -0.992 1
1 464 . 8 1 1 A 53 53 GLY HA2 H 75 3.864 3.950 -0.086 1
1 465 . 8 1 1 A 53 53 GLY HA3 H 75 4.446 3.960 0.486 1
1 466 . 8 1 1 A 53 53 GLY CA C 75 45.501 45.934 -0.433 1
1 467 . 8 1 1 A 53 53 GLY N N 75 106.348 108.861 -2.513 1
1 468 . 8 1 1 A 54 54 GLY H H 76 7.775 7.942 -0.167 1
1 469 . 8 1 1 A 54 54 GLY HA2 H 76 4.177 4.162 0.015 1
1 470 . 8 1 1 A 54 54 GLY HA3 H 76 4.677 4.182 0.495 1
1 471 . 8 1 1 A 54 54 GLY CA C 76 43.906 45.251 -1.345 1
1 472 . 8 1 1 A 54 54 GLY N N 76 108.460 107.573 0.887 1
1 473 . 8 1 1 A 55 55 LEU H H 77 8.311 8.243 0.068 1
1 474 . 8 1 1 A 55 55 LEU HA H 77 5.116 5.264 -0.148 1
1 477 . 8 1 1 A 55 55 LEU CA C 77 53.425 53.477 -0.052 1
1 478 . 8 1 1 A 55 55 LEU CB C 77 47.604 45.556 2.048 1
1 479 . 8 1 1 A 55 55 LEU N N 77 120.236 122.311 -2.075 1
1 480 . 8 1 1 A 56 56 ASN H H 78 9.424 9.911 -0.487 1
1 481 . 8 1 1 A 56 56 ASN HA H 78 5.149 5.350 -0.201 1
1 485 . 8 1 1 A 56 56 ASN CA C 78 52.316 51.974 0.342 1
1 486 . 8 1 1 A 56 56 ASN CB C 78 40.839 40.402 0.437 1
1 487 . 8 1 1 A 56 56 ASN N N 78 120.305 120.258 0.047 1
1 489 . 8 1 1 A 57 57 LEU H H 79 9.259 8.516 0.743 1
1 490 . 8 1 1 A 57 57 LEU HA H 79 4.903 5.684 -0.781 1
1 491 . 8 1 1 A 57 57 LEU CA C 79 54.713 54.132 0.581 1
1 492 . 8 1 1 A 57 57 LEU CB C 79 42.533 42.944 -0.411 1
1 493 . 8 1 1 A 57 57 LEU N N 79 127.309 127.440 -0.131 1
1 494 . 8 1 1 A 58 58 THR H H 80 8.973 9.744 -0.771 1
1 495 . 8 1 1 A 58 58 THR HA H 80 4.941 5.179 -0.238 1
1 500 . 8 1 1 A 58 58 THR CA C 80 62.501 61.845 0.656 1
1 501 . 8 1 1 A 58 58 THR CB C 80 68.984 69.773 -0.789 1
1 503 . 8 1 1 A 58 58 THR N N 80 122.763 125.054 -2.291 1
1 504 . 8 1 1 A 59 59 SER H H 81 9.549 8.699 0.850 1
1 505 . 8 1 1 A 59 59 SER HA H 81 6.045 5.995 0.050 1
1 507 . 8 1 1 A 59 59 SER CA C 81 57.242 56.653 0.589 1
1 508 . 8 1 1 A 59 59 SER CB C 81 65.536 64.766 0.770 1
1 509 . 8 1 1 A 59 59 SER N N 81 126.425 121.468 4.957 1
1 510 . 8 1 1 A 60 60 THR H H 82 9.332 9.278 0.054 1
1 511 . 8 1 1 A 60 60 THR HA H 82 5.464 5.362 0.102 1
1 516 . 8 1 1 A 60 60 THR CA C 82 61.719 60.401 1.318 1
1 517 . 8 1 1 A 60 60 THR CB C 82 70.846 70.778 0.068 1
1 519 . 8 1 1 A 60 60 THR N N 82 121.445 115.590 5.855 1
1 520 . 8 1 1 A 61 61 PHE H H 83 8.794 7.906 0.888 1
1 521 . 8 1 1 A 61 61 PHE HA H 83 5.266 6.879 -1.613 1
1 525 . 8 1 1 A 61 61 PHE CA C 83 54.698 55.130 -0.432 1
1 526 . 8 1 1 A 61 61 PHE CB C 83 42.327 42.677 -0.350 1
1 528 . 8 1 1 A 61 61 PHE N N 83 121.707 120.047 1.660 1
1 529 . 8 1 1 A 62 62 LEU H H 84 8.915 8.611 0.304 1
1 530 . 8 1 1 A 62 62 LEU HA H 84 4.885 5.452 -0.567 1
1 540 . 8 1 1 A 62 62 LEU CA C 84 54.447 53.754 0.693 1
1 541 . 8 1 1 A 62 62 LEU CB C 84 43.627 44.752 -1.125 1
1 545 . 8 1 1 A 62 62 LEU N N 84 122.160 122.954 -0.794 1
1 546 . 8 1 1 A 63 63 ARG H H 85 9.213 9.560 -0.347 1
1 547 . 8 1 1 A 63 63 ARG HA H 85 4.645 5.027 -0.382 1
1 551 . 8 1 1 A 63 63 ARG CA C 85 56.244 54.752 1.492 1
1 552 . 8 1 1 A 63 63 ARG CB C 85 32.551 32.597 -0.046 1
1 555 . 8 1 1 A 63 63 ARG N N 85 128.889 125.165 3.724 1
1 556 . 8 1 1 A 64 64 LYS H H 86 9.466 9.562 -0.096 1
1 557 . 8 1 1 A 64 64 LYS HA H 86 3.869 4.033 -0.164 1
1 563 . 8 1 1 A 64 64 LYS CA C 86 58.497 57.499 0.998 1
1 564 . 8 1 1 A 64 64 LYS CB C 86 30.202 31.049 -0.847 1
1 568 . 8 1 1 A 64 64 LYS N N 86 127.634 120.994 6.640 1
1 569 . 8 1 1 A 65 65 ASN H H 87 8.648 8.685 -0.037 1
1 570 . 8 1 1 A 65 65 ASN HA H 87 4.500 4.258 0.242 1
1 575 . 8 1 1 A 65 65 ASN CA C 87 54.059 54.607 -0.548 1
1 576 . 8 1 1 A 65 65 ASN CB C 87 38.861 37.592 1.269 1
1 577 . 8 1 1 A 65 65 ASN N N 87 113.645 110.719 2.926 1
1 579 . 8 1 1 A 66 66 GLN H H 88 8.009 7.593 0.416 1
1 580 . 8 1 1 A 66 66 GLN HA H 88 4.720 4.727 -0.007 1
1 586 . 8 1 1 A 66 66 GLN CA C 88 53.951 54.676 -0.725 1
1 587 . 8 1 1 A 66 66 GLN CB C 88 32.360 30.927 1.433 1
1 589 . 8 1 1 A 66 66 GLN N N 88 118.506 115.782 2.724 1
1 591 . 8 1 1 A 67 67 CYS H H 89 8.712 9.047 -0.335 1
1 592 . 8 1 1 A 67 67 CYS HA H 89 5.398 5.731 -0.333 1
1 595 . 8 1 1 A 67 67 CYS CA C 89 52.821 54.386 -1.565 1
1 596 . 8 1 1 A 67 67 CYS CB C 89 36.780 44.981 -8.201 1
1 597 . 8 1 1 A 67 67 CYS N N 89 119.694 124.065 -4.371 1
1 598 . 8 1 1 A 68 68 GLU H H 90 9.083 8.524 0.559 1
1 599 . 8 1 1 A 68 68 GLU HA H 90 4.568 4.801 -0.233 1
1 603 . 8 1 1 A 68 68 GLU CA C 90 54.905 54.537 0.368 1
1 604 . 8 1 1 A 68 68 GLU CB C 90 33.372 33.223 0.149 1
1 606 . 8 1 1 A 68 68 GLU N N 90 126.906 126.739 0.167 1
1 607 . 8 1 1 A 69 69 THR H H 91 8.233 8.350 -0.117 1
1 608 . 8 1 1 A 69 69 THR HA H 91 5.721 4.804 0.917 1
1 613 . 8 1 1 A 69 69 THR CA C 91 60.732 61.298 -0.566 1
1 614 . 8 1 1 A 69 69 THR CB C 91 71.796 70.473 1.323 1
1 616 . 8 1 1 A 69 69 THR N N 91 115.413 117.272 -1.859 1
1 617 . 8 1 1 A 70 70 LYS H H 92 9.232 8.509 0.723 1
1 618 . 8 1 1 A 70 70 LYS HA H 92 4.847 5.073 -0.226 1
1 624 . 8 1 1 A 70 70 LYS CA C 92 54.766 54.822 -0.056 1
1 625 . 8 1 1 A 70 70 LYS CB C 92 36.982 36.179 0.803 1
1 629 . 8 1 1 A 70 70 LYS N N 92 125.378 126.840 -1.462 1
1 630 . 8 1 1 A 71 71 ILE H H 93 8.751 8.991 -0.240 1
1 631 . 8 1 1 A 71 71 ILE HA H 93 5.101 4.883 0.218 1
1 641 . 8 1 1 A 71 71 ILE CA C 93 60.391 59.905 0.486 1
1 642 . 8 1 1 A 71 71 ILE CB C 93 40.534 39.753 0.781 1
1 646 . 8 1 1 A 71 71 ILE N N 93 124.290 126.610 -2.320 1
1 647 . 8 1 1 A 72 72 MET H H 94 9.003 8.743 0.260 1
1 648 . 8 1 1 A 72 72 MET HA H 94 4.775 5.108 -0.333 1
1 651 . 8 1 1 A 72 72 MET CA C 94 54.673 54.210 0.463 1
1 652 . 8 1 1 A 72 72 MET CB C 94 36.889 35.617 1.272 1
1 654 . 8 1 1 A 72 72 MET N N 94 127.651 128.620 -0.969 1
1 655 . 8 1 1 A 73 73 VAL H H 95 8.607 9.004 -0.397 1
1 656 . 8 1 1 A 73 73 VAL HA H 95 4.740 4.819 -0.079 1
1 661 . 8 1 1 A 73 73 VAL CA C 95 62.080 60.235 1.845 1
1 662 . 8 1 1 A 73 73 VAL CB C 95 33.333 34.273 -0.940 1
1 664 . 8 1 1 A 73 73 VAL N N 95 125.436 127.098 -1.662 1
1 665 . 8 1 1 A 74 74 LEU H H 96 9.278 8.878 0.400 1
1 666 . 8 1 1 A 74 74 LEU HA H 96 5.089 5.456 -0.367 1
1 668 . 8 1 1 A 74 74 LEU CA C 96 53.117 53.354 -0.237 1
1 669 . 8 1 1 A 74 74 LEU CB C 96 42.342 46.088 -3.746 1
1 670 . 8 1 1 A 74 74 LEU N N 96 127.760 130.797 -3.037 1
1 671 . 8 1 1 A 75 75 GLN H H 97 9.280 9.508 -0.228 1
1 672 . 8 1 1 A 75 75 GLN HA H 97 5.018 4.906 0.112 1
1 675 . 8 1 1 A 75 75 GLN CA C 97 53.326 51.887 1.439 1
1 676 . 8 1 1 A 75 75 GLN CB C 97 29.255 30.302 -1.047 1
1 678 . 8 1 1 A 75 75 GLN N N 97 125.135 125.613 -0.478 1
1 679 . 8 1 1 A 76 76 PRO HA H 98 4.407 4.041 0.366 1
1 682 . 8 1 1 A 76 76 PRO CA C 98 64.216 62.437 1.779 1
1 683 . 8 1 1 A 76 76 PRO CB C 98 32.365 32.417 -0.052 1
1 684 . 8 1 1 A 77 77 ALA H H 99 8.021 7.910 0.111 1
1 685 . 8 1 1 A 77 77 ALA HA H 99 4.691 4.542 0.149 1
1 689 . 8 1 1 A 77 77 ALA CA C 99 50.927 51.144 -0.217 1
1 690 . 8 1 1 A 77 77 ALA CB C 99 20.003 19.448 0.555 1
1 691 . 8 1 1 A 77 77 ALA N N 99 126.607 124.045 2.562 1
1 692 . 8 1 1 A 78 78 GLY H H 100 8.185 8.001 0.184 1
1 693 . 8 1 1 A 78 78 GLY HA2 H 100 3.560 3.880 -0.320 1
1 694 . 8 1 1 A 78 78 GLY HA3 H 100 4.211 3.884 0.327 1
1 695 . 8 1 1 A 78 78 GLY CA C 100 45.692 46.306 -0.614 1
1 696 . 8 1 1 A 78 78 GLY N N 100 109.388 107.114 2.274 1
1 697 . 8 1 1 A 79 79 ALA H H 101 8.074 7.855 0.219 1
1 698 . 8 1 1 A 79 79 ALA HA H 101 4.624 4.514 0.110 1
1 702 . 8 1 1 A 79 79 ALA CA C 101 50.576 50.783 -0.207 1
1 703 . 8 1 1 A 79 79 ALA CB C 101 18.277 19.084 -0.807 1
1 704 . 8 1 1 A 79 79 ALA N N 101 126.934 126.932 0.002 1
1 705 . 8 1 1 A 80 80 PRO HA H 102 4.425 3.951 0.474 1
1 707 . 8 1 1 A 80 80 PRO CA C 102 63.915 63.475 0.440 1
1 708 . 8 1 1 A 80 80 PRO CB C 102 32.093 31.865 0.228 1
1 711 . 8 1 1 A 81 81 GLY H H 103 8.227 7.815 0.412 1
1 712 . 8 1 1 A 81 81 GLY HA2 H 103 2.428 3.569 -1.141 1
1 713 . 8 1 1 A 81 81 GLY HA3 H 103 3.673 3.719 -0.046 1
1 714 . 8 1 1 A 81 81 GLY CA C 103 44.671 44.850 -0.179 1
1 715 . 8 1 1 A 81 81 GLY N N 103 111.362 111.083 0.279 1
1 716 . 8 1 1 A 82 82 HIS H H 104 7.610 7.858 -0.248 1
1 717 . 8 1 1 A 82 82 HIS HA H 104 5.169 5.072 0.097 1
1 721 . 8 1 1 A 82 82 HIS CA C 104 54.457 54.513 -0.056 1
1 722 . 8 1 1 A 82 82 HIS CB C 104 29.867 33.008 -3.141 1
1 724 . 8 1 1 A 82 82 HIS N N 104 117.393 118.628 -1.235 1
1 725 . 8 1 1 A 83 83 TYR H H 105 9.164 8.783 0.381 1
1 726 . 8 1 1 A 83 83 TYR HA H 105 5.465 5.133 0.332 1
1 730 . 8 1 1 A 83 83 TYR CA C 105 56.894 56.229 0.665 1
1 731 . 8 1 1 A 83 83 TYR CB C 105 44.686 43.184 1.502 1
1 733 . 8 1 1 A 83 83 TYR N N 105 122.473 121.996 0.477 1
1 734 . 8 1 1 A 84 84 THR H H 106 9.475 9.304 0.171 1
1 735 . 8 1 1 A 84 84 THR HA H 106 5.439 5.062 0.377 1
1 740 . 8 1 1 A 84 84 THR CA C 106 60.469 60.531 -0.062 1
1 741 . 8 1 1 A 84 84 THR CB C 106 72.344 71.714 0.630 1
1 743 . 8 1 1 A 84 84 THR N N 106 112.202 113.406 -1.204 1
1 744 . 8 1 1 A 85 85 TYR H H 107 8.723 8.096 0.627 1
1 745 . 8 1 1 A 85 85 TYR HA H 107 5.239 5.879 -0.640 1
1 749 . 8 1 1 A 85 85 TYR CA C 107 56.392 55.251 1.141 1
1 750 . 8 1 1 A 85 85 TYR CB C 107 41.653 41.929 -0.276 1
1 751 . 8 1 1 A 85 85 TYR N N 107 118.519 119.865 -1.346 1
1 752 . 8 1 1 A 86 86 SER H H 108 8.509 8.932 -0.423 1
1 753 . 8 1 1 A 86 86 SER HA H 108 4.564 4.871 -0.307 1
1 755 . 8 1 1 A 86 86 SER CA C 108 56.420 58.247 -1.827 1
1 756 . 8 1 1 A 86 86 SER CB C 108 63.939 63.704 0.235 1
1 757 . 8 1 1 A 86 86 SER N N 108 120.384 119.715 0.669 1
1 758 . 8 1 1 A 87 87 SER H H 109 8.155 8.233 -0.078 1
1 759 . 8 1 1 A 87 87 SER HA H 109 4.519 4.632 -0.113 1
1 762 . 8 1 1 A 87 87 SER CA C 109 56.046 56.079 -0.033 1
1 763 . 8 1 1 A 87 87 SER CB C 109 63.145 64.081 -0.936 1
1 764 . 8 1 1 A 87 87 SER N N 109 120.949 122.733 -1.784 1
1 765 . 8 1 1 A 88 88 PRO HA H 110 4.287 4.896 -0.609 1
1 767 . 8 1 1 A 88 88 PRO CA C 110 64.081 62.445 1.636 1
1 768 . 8 1 1 A 88 88 PRO CB C 110 32.049 31.367 0.682 1
1 771 . 8 1 1 A 89 89 HIS H H 111 8.535 8.449 0.086 1
1 772 . 8 1 1 A 89 89 HIS HA H 111 4.421 4.706 -0.285 1
1 774 . 8 1 1 A 89 89 HIS CA C 111 56.683 57.202 -0.519 1
1 775 . 8 1 1 A 89 89 HIS CB C 111 27.859 30.977 -3.118 1
1 776 . 8 1 1 A 89 89 HIS N N 111 115.372 121.950 -6.578 1
1 777 . 8 1 1 A 90 90 SER H H 112 8.012 8.483 -0.471 1
1 778 . 8 1 1 A 90 90 SER HA H 112 4.422 4.436 -0.014 1
1 781 . 8 1 1 A 90 90 SER CA C 112 58.586 59.025 -0.439 1
1 782 . 8 1 1 A 90 90 SER CB C 112 64.405 64.818 -0.413 1
1 783 . 8 1 1 A 90 90 SER N N 112 112.865 113.538 -0.673 1
1 784 . 8 1 1 A 91 91 GLY H H 113 8.239 8.268 -0.029 1
1 785 . 8 1 1 A 91 91 GLY HA2 H 113 3.911 3.952 -0.041 1
1 786 . 8 1 1 A 91 91 GLY HA3 H 113 3.966 3.952 0.014 1
1 787 . 8 1 1 A 91 91 GLY CA C 113 45.627 45.338 0.289 1
1 788 . 8 1 1 A 91 91 GLY N N 113 110.848 109.320 1.528 1
1 789 . 8 1 1 A 92 92 SER H H 114 7.757 7.941 -0.184 1
1 790 . 8 1 1 A 92 92 SER HA H 114 4.518 4.671 -0.153 1
1 792 . 8 1 1 A 92 92 SER CA C 114 58.132 57.449 0.683 1
1 793 . 8 1 1 A 92 92 SER CB C 114 64.340 64.442 -0.102 1
1 794 . 8 1 1 A 92 92 SER N N 114 114.404 115.617 -1.213 1
1 795 . 8 1 1 A 93 93 ILE H H 115 8.456 8.597 -0.141 1
1 796 . 8 1 1 A 93 93 ILE HA H 115 4.412 4.544 -0.132 1
1 806 . 8 1 1 A 93 93 ILE CA C 115 60.573 60.198 0.375 1
1 807 . 8 1 1 A 93 93 ILE CB C 115 39.061 40.722 -1.661 1
1 811 . 8 1 1 A 93 93 ILE N N 115 124.873 124.041 0.832 1
1 812 . 8 1 1 A 94 94 HIS H H 116 8.994 8.392 0.602 1
1 813 . 8 1 1 A 94 94 HIS HA H 116 5.309 5.151 0.158 1
1 814 . 8 1 1 A 94 94 HIS CA C 116 53.919 54.464 -0.545 1
1 815 . 8 1 1 A 94 94 HIS CB C 116 27.883 31.760 -3.877 1
1 816 . 8 1 1 A 94 94 HIS N N 116 125.591 126.299 -0.708 1
1 817 . 8 1 1 A 95 95 SER H H 117 9.153 8.905 0.248 1
1 818 . 8 1 1 A 95 95 SER HA H 117 5.101 5.083 0.018 1
1 820 . 8 1 1 A 95 95 SER CA C 117 57.114 56.312 0.802 1
1 821 . 8 1 1 A 95 95 SER CB C 117 64.430 64.953 -0.523 1
1 822 . 8 1 1 A 95 95 SER N N 117 117.598 117.916 -0.318 1
1 823 . 8 1 1 A 96 96 VAL H H 118 9.055 8.791 0.264 1
1 824 . 8 1 1 A 96 96 VAL HA H 118 5.009 5.178 -0.169 1
1 828 . 8 1 1 A 96 96 VAL CA C 118 61.453 59.441 2.012 1
1 829 . 8 1 1 A 96 96 VAL CB C 118 35.098 34.836 0.262 1
1 831 . 8 1 1 A 96 96 VAL N N 118 126.585 122.999 3.586 1
1 832 . 8 1 1 A 97 97 SER H H 119 9.032 8.800 0.232 1
1 833 . 8 1 1 A 97 97 SER HA H 119 5.543 5.091 0.452 1
1 835 . 8 1 1 A 97 97 SER CA C 119 56.290 57.809 -1.519 1
1 836 . 8 1 1 A 97 97 SER CB C 119 65.799 64.746 1.053 1
1 837 . 8 1 1 A 97 97 SER N N 119 121.395 125.274 -3.879 1
1 838 . 8 1 1 A 98 98 VAL H H 120 8.402 8.357 0.045 1
1 839 . 8 1 1 A 98 98 VAL HA H 120 4.027 4.282 -0.255 1
1 847 . 8 1 1 A 98 98 VAL CA C 120 62.212 62.130 0.082 1
1 848 . 8 1 1 A 98 98 VAL CB C 120 29.250 31.755 -2.505 1
1 851 . 8 1 1 A 98 98 VAL N N 120 124.771 125.684 -0.913 1
1 852 . 8 1 1 A 99 99 VAL H H 121 8.361 8.906 -0.545 1
1 853 . 8 1 1 A 99 99 VAL HA H 121 3.723 3.811 -0.088 1
1 858 . 8 1 1 A 99 99 VAL CA C 121 65.202 65.035 0.167 1
1 859 . 8 1 1 A 99 99 VAL CB C 121 32.718 32.094 0.624 1
1 861 . 8 1 1 A 99 99 VAL N N 121 128.844 129.191 -0.347 1
1 862 . 8 1 1 A 100 100 GLU H H 122 7.188 7.751 -0.563 1
1 863 . 8 1 1 A 100 100 GLU HA H 122 4.726 4.873 -0.147 1
1 866 . 8 1 1 A 100 100 GLU CA C 122 54.951 55.324 -0.373 1
1 867 . 8 1 1 A 100 100 GLU CB C 122 34.111 33.784 0.327 1
1 868 . 8 1 1 A 100 100 GLU N N 122 113.832 118.559 -4.727 1
1 869 . 8 1 1 A 101 101 ALA H H 123 8.708 8.499 0.209 1
1 870 . 8 1 1 A 101 101 ALA HA H 123 4.365 4.834 -0.469 1
1 874 . 8 1 1 A 101 101 ALA CA C 123 52.217 50.295 1.922 1
1 875 . 8 1 1 A 101 101 ALA CB C 123 21.568 21.849 -0.281 1
1 876 . 8 1 1 A 101 101 ALA N N 123 124.349 123.223 1.126 1
1 877 . 8 1 1 A 105 105 GLU HA H 127 3.719 4.491 -0.772 1
1 878 . 8 1 1 A 105 105 GLU CA C 127 59.422 55.739 3.683 1
1 879 . 8 1 1 A 105 105 GLU CB C 127 35.689 30.583 5.106 1
1 880 . 8 1 1 A 106 106 TYR H H 128 9.359 7.112 2.247 1
1 881 . 8 1 1 A 106 106 TYR HA H 128 6.292 5.100 1.192 1
1 885 . 8 1 1 A 106 106 TYR CA C 128 58.184 56.533 1.651 1
1 886 . 8 1 1 A 106 106 TYR CB C 128 42.417 40.299 2.118 1
1 889 . 8 1 1 A 106 106 TYR N N 128 118.441 116.927 1.514 1
1 890 . 8 1 1 A 107 107 ALA H H 129 9.057 9.268 -0.211 1
1 891 . 8 1 1 A 107 107 ALA HA H 129 4.724 5.445 -0.721 1
1 895 . 8 1 1 A 107 107 ALA CA C 129 51.666 50.239 1.427 1
1 896 . 8 1 1 A 107 107 ALA CB C 129 22.720 21.769 0.951 1
1 897 . 8 1 1 A 107 107 ALA N N 129 120.309 122.985 -2.676 1
1 898 . 8 1 1 A 108 108 LEU H H 130 8.889 8.396 0.493 1
1 899 . 8 1 1 A 108 108 LEU HA H 130 5.191 5.031 0.160 1
1 908 . 8 1 1 A 108 108 LEU CA C 130 53.730 53.479 0.251 1
1 909 . 8 1 1 A 108 108 LEU CB C 130 43.792 43.823 -0.031 1
1 912 . 8 1 1 A 108 108 LEU N N 130 122.798 124.409 -1.611 1
1 913 . 8 1 1 A 109 109 LEU H H 131 9.168 9.373 -0.205 1
1 914 . 8 1 1 A 109 109 LEU HA H 131 5.410 5.081 0.329 1
1 924 . 8 1 1 A 109 109 LEU CA C 131 54.387 53.990 0.397 1
1 925 . 8 1 1 A 109 109 LEU CB C 131 45.159 45.466 -0.307 1
1 929 . 8 1 1 A 109 109 LEU N N 131 126.359 128.383 -2.024 1
1 930 . 8 1 1 A 110 110 PHE H H 132 9.150 8.400 0.750 1
1 931 . 8 1 1 A 110 110 PHE HA H 132 5.687 5.744 -0.057 1
1 935 . 8 1 1 A 110 110 PHE CA C 132 56.501 56.361 0.140 1
1 936 . 8 1 1 A 110 110 PHE CB C 132 43.567 42.529 1.038 1
1 937 . 8 1 1 A 110 110 PHE N N 132 120.892 124.467 -3.575 1
1 938 . 8 1 1 A 111 111 SER H H 133 8.978 9.532 -0.554 1
1 939 . 8 1 1 A 111 111 SER HA H 133 5.702 5.457 0.245 1
1 941 . 8 1 1 A 111 111 SER CA C 133 55.789 57.089 -1.300 1
1 942 . 8 1 1 A 111 111 SER CB C 133 65.521 64.745 0.776 1
1 943 . 8 1 1 A 111 111 SER N N 133 125.184 122.545 2.639 1
1 944 . 8 1 1 A 112 112 ARG H H 134 8.581 8.452 0.129 1
1 945 . 8 1 1 A 112 112 ARG HA H 134 5.151 5.465 -0.314 1
1 950 . 8 1 1 A 112 112 ARG CA C 134 53.502 54.609 -1.107 1
1 951 . 8 1 1 A 112 112 ARG CB C 134 34.324 33.813 0.511 1
1 954 . 8 1 1 A 112 112 ARG N N 134 120.408 125.375 -4.967 1
1 955 . 8 1 1 A 113 113 GLY H H 135 8.195 8.213 -0.018 1
1 956 . 8 1 1 A 113 113 GLY HA2 H 135 4.108 4.300 -0.192 1
1 957 . 8 1 1 A 113 113 GLY HA3 H 135 4.342 4.362 -0.020 1
1 958 . 8 1 1 A 113 113 GLY CA C 135 45.735 45.914 -0.179 1
1 959 . 8 1 1 A 113 113 GLY N N 135 108.687 108.743 -0.056 1
1 960 . 8 1 1 A 114 114 THR H H 136 8.437 9.428 -0.991 1
1 961 . 8 1 1 A 114 114 THR HA H 136 4.686 4.208 0.478 1
1 966 . 8 1 1 A 114 114 THR CA C 136 61.317 65.038 -3.721 1
1 967 . 8 1 1 A 114 114 THR CB C 136 70.640 68.936 1.704 1
1 969 . 8 1 1 A 114 114 THR N N 136 112.383 114.888 -2.505 1
1 970 . 8 1 1 A 115 115 LYS H H 137 8.042 8.113 -0.071 1
1 971 . 8 1 1 A 115 115 LYS HA H 137 4.457 4.056 0.401 1
1 976 . 8 1 1 A 115 115 LYS CA C 137 56.861 57.320 -0.459 1
1 977 . 8 1 1 A 115 115 LYS CB C 137 34.523 31.854 2.669 1
1 981 . 8 1 1 A 115 115 LYS N N 137 121.031 121.081 -0.050 1
1 982 . 8 1 1 A 116 116 GLY H H 138 8.574 8.915 -0.341 1
1 983 . 8 1 1 A 116 116 GLY HA2 H 138 3.894 3.953 -0.059 1
1 984 . 8 1 1 A 116 116 GLY HA3 H 138 4.566 3.957 0.609 1
1 985 . 8 1 1 A 116 116 GLY CA C 138 44.217 44.692 -0.475 1
1 986 . 8 1 1 A 116 116 GLY N N 138 112.843 115.086 -2.243 1
1 987 . 8 1 1 A 117 117 PRO HA H 139 4.452 4.599 -0.147 1
1 992 . 8 1 1 A 117 117 PRO CA C 139 63.920 62.776 1.144 1
1 993 . 8 1 1 A 117 117 PRO CB C 139 31.786 29.793 1.993 1
1 996 . 8 1 1 A 118 118 GLY H H 140 8.835 8.339 0.496 1
1 997 . 8 1 1 A 118 118 GLY HA2 H 140 4.030 3.959 0.071 1
1 998 . 8 1 1 A 118 118 GLY HA3 H 140 4.187 3.971 0.216 1
1 999 . 8 1 1 A 118 118 GLY CA C 140 45.949 46.546 -0.597 1
1 1000 . 8 1 1 A 118 118 GLY N N 140 110.324 111.089 -0.765 1
1 1001 . 8 1 1 A 119 119 GLN H H 141 8.062 8.357 -0.295 1
1 1002 . 8 1 1 A 119 119 GLN HA H 141 4.067 4.472 -0.405 1
1 1005 . 8 1 1 A 119 119 GLN CA C 141 57.874 55.599 2.275 1
1 1006 . 8 1 1 A 119 119 GLN CB C 141 28.638 29.227 -0.589 1
1 1008 . 8 1 1 A 119 119 GLN N N 141 119.674 120.672 -0.998 1
1 1009 . 8 1 1 A 120 120 ASP H H 142 8.554 8.060 0.494 1
1 1010 . 8 1 1 A 120 120 ASP HA H 142 4.606 4.474 0.132 1
1 1012 . 8 1 1 A 120 120 ASP CA C 142 54.348 55.285 -0.937 1
1 1013 . 8 1 1 A 120 120 ASP CB C 142 40.529 39.645 0.884 1
1 1014 . 8 1 1 A 120 120 ASP N N 142 117.596 117.313 0.283 1
1 1015 . 8 1 1 A 121 121 PHE H H 143 7.890 8.561 -0.671 1
1 1016 . 8 1 1 A 121 121 PHE HA H 143 4.477 4.638 -0.161 1
1 1021 . 8 1 1 A 121 121 PHE CA C 143 59.232 59.321 -0.089 1
1 1022 . 8 1 1 A 121 121 PHE CB C 143 39.898 39.830 0.068 1
1 1025 . 8 1 1 A 121 121 PHE N N 143 122.226 118.146 4.080 1
1 1026 . 8 1 1 A 122 122 ARG H H 144 7.956 8.511 -0.555 1
1 1027 . 8 1 1 A 122 122 ARG HA H 144 4.664 5.161 -0.497 1
1 1032 . 8 1 1 A 122 122 ARG CA C 144 54.337 54.304 0.033 1
1 1033 . 8 1 1 A 122 122 ARG CB C 144 34.705 33.649 1.056 1
1 1036 . 8 1 1 A 122 122 ARG N N 144 126.876 123.421 3.455 1
1 1037 . 8 1 1 A 123 123 MET H H 145 8.444 8.646 -0.202 1
1 1038 . 8 1 1 A 123 123 MET HA H 145 5.157 4.897 0.260 1
1 1042 . 8 1 1 A 123 123 MET CA C 145 54.904 54.309 0.595 1
1 1043 . 8 1 1 A 123 123 MET CB C 145 37.618 36.654 0.964 1
1 1045 . 8 1 1 A 123 123 MET N N 145 121.767 120.183 1.584 1
1 1046 . 8 1 1 A 124 124 ALA H H 146 9.809 8.409 1.400 1
1 1047 . 8 1 1 A 124 124 ALA HA H 146 5.801 5.046 0.755 1
1 1051 . 8 1 1 A 124 124 ALA CA C 146 50.289 50.613 -0.324 1
1 1052 . 8 1 1 A 124 124 ALA CB C 146 22.630 22.151 0.479 1
1 1053 . 8 1 1 A 124 124 ALA N N 146 132.634 125.594 7.040 1
1 1054 . 8 1 1 A 125 125 THR H H 147 9.169 9.778 -0.609 1
1 1055 . 8 1 1 A 125 125 THR HA H 147 4.974 5.454 -0.480 1
1 1060 . 8 1 1 A 125 125 THR CA C 147 62.270 61.575 0.695 1
1 1061 . 8 1 1 A 125 125 THR CB C 147 71.431 71.033 0.398 1
1 1063 . 8 1 1 A 125 125 THR N N 147 118.001 117.609 0.392 1
1 1064 . 8 1 1 A 126 126 LEU H H 148 8.287 8.611 -0.324 1
1 1065 . 8 1 1 A 126 126 LEU HA H 148 4.994 4.973 0.021 1
1 1072 . 8 1 1 A 126 126 LEU CA C 148 52.917 53.188 -0.271 1
1 1073 . 8 1 1 A 126 126 LEU CB C 148 42.487 41.803 0.684 1
1 1076 . 8 1 1 A 126 126 LEU N N 148 128.462 129.289 -0.827 1
1 1077 . 8 1 1 A 127 127 TYR H H 149 9.352 8.489 0.863 1
1 1078 . 8 1 1 A 127 127 TYR HA H 149 5.745 4.779 0.966 1
1 1082 . 8 1 1 A 127 127 TYR CA C 149 55.277 59.066 -3.789 1
1 1083 . 8 1 1 A 127 127 TYR CB C 149 40.105 39.432 0.673 1
1 1085 . 8 1 1 A 127 127 TYR N N 149 127.854 127.138 0.716 1
1 1086 . 8 1 1 A 128 128 SER H H 150 9.808 8.321 1.487 1
1 1087 . 8 1 1 A 128 128 SER HA H 150 6.032 4.993 1.039 1
1 1090 . 8 1 1 A 128 128 SER CA C 150 55.349 56.189 -0.840 1
1 1091 . 8 1 1 A 128 128 SER CB C 150 66.028 64.941 1.087 1
1 1092 . 8 1 1 A 128 128 SER N N 150 113.673 117.907 -4.234 1
1 1093 . 8 1 1 A 129 129 ARG H H 151 8.667 8.665 0.002 1
1 1094 . 8 1 1 A 129 129 ARG HA H 151 4.184 4.094 0.090 1
1 1096 . 8 1 1 A 129 129 ARG CA C 151 56.959 58.470 -1.511 1
1 1097 . 8 1 1 A 129 129 ARG CB C 151 31.553 29.904 1.649 1
1 1098 . 8 1 1 A 129 129 ARG N N 151 126.102 124.195 1.907 1
1 1099 . 8 1 1 A 130 130 THR H H 152 8.244 7.626 0.618 1
1 1100 . 8 1 1 A 130 130 THR HA H 152 4.879 3.737 1.142 1
1 1105 . 8 1 1 A 130 130 THR CA C 152 59.501 59.583 -0.082 1
1 1106 . 8 1 1 A 130 130 THR CB C 152 71.244 71.559 -0.315 1
1 1108 . 8 1 1 A 130 130 THR N N 152 108.224 109.348 -1.124 1
1 1109 . 8 1 1 A 131 131 GLN H H 153 8.765 8.185 0.580 1
1 1110 . 8 1 1 A 131 131 GLN HA H 153 3.664 3.845 -0.181 1
1 1117 . 8 1 1 A 131 131 GLN CA C 153 57.614 57.846 -0.232 1
1 1118 . 8 1 1 A 131 131 GLN CB C 153 28.738 28.080 0.658 1
1 1120 . 8 1 1 A 131 131 GLN N N 153 119.385 117.828 1.557 1
1 1122 . 8 1 1 A 132 132 THR H H 154 7.242 7.439 -0.197 1
1 1123 . 8 1 1 A 132 132 THR HA H 154 4.309 4.199 0.110 1
1 1128 . 8 1 1 A 132 132 THR CA C 154 60.406 62.953 -2.547 1
1 1129 . 8 1 1 A 132 132 THR CB C 154 70.006 67.999 2.007 1
1 1131 . 8 1 1 A 132 132 THR N N 154 108.689 116.980 -8.291 1
1 1132 . 8 1 1 A 133 133 LEU H H 155 8.608 8.486 0.122 1
1 1133 . 8 1 1 A 133 133 LEU HA H 155 4.631 5.199 -0.568 1
1 1143 . 8 1 1 A 133 133 LEU CA C 155 53.415 53.108 0.307 1
1 1144 . 8 1 1 A 133 133 LEU CB C 155 44.570 44.496 0.074 1
1 1148 . 8 1 1 A 133 133 LEU N N 155 124.560 124.340 0.220 1
1 1149 . 8 1 1 A 134 134 LYS H H 156 8.157 8.929 -0.772 1
1 1150 . 8 1 1 A 134 134 LYS HA H 156 4.374 4.504 -0.130 1
1 1156 . 8 1 1 A 134 134 LYS CA C 156 56.031 54.979 1.052 1
1 1157 . 8 1 1 A 134 134 LYS CB C 156 33.505 33.964 -0.459 1
1 1161 . 8 1 1 A 134 134 LYS N N 156 123.852 123.118 0.734 1
1 1162 . 8 1 1 A 135 135 ASP H H 157 8.974 8.818 0.156 1
1 1163 . 8 1 1 A 135 135 ASP HA H 157 4.143 4.123 0.020 1
1 1165 . 8 1 1 A 135 135 ASP CA C 157 58.252 56.889 1.363 1
1 1166 . 8 1 1 A 135 135 ASP CB C 157 39.857 40.179 -0.322 1
1 1167 . 8 1 1 A 135 135 ASP N N 157 124.197 124.150 0.047 1
1 1168 . 8 1 1 A 136 136 GLU H H 158 9.287 8.034 1.253 1
1 1169 . 8 1 1 A 136 136 GLU HA H 158 4.141 4.081 0.060 1
1 1173 . 8 1 1 A 136 136 GLU CA C 158 59.348 58.796 0.552 1
1 1174 . 8 1 1 A 136 136 GLU CB C 158 28.638 30.227 -1.589 1
1 1176 . 8 1 1 A 136 136 GLU N N 158 117.885 119.891 -2.006 1
1 1177 . 8 1 1 A 137 137 LEU H H 159 7.246 7.908 -0.662 1
1 1178 . 8 1 1 A 137 137 LEU HA H 159 4.053 4.135 -0.082 1
1 1187 . 8 1 1 A 137 137 LEU CA C 159 56.663 57.408 -0.745 1
1 1188 . 8 1 1 A 137 137 LEU CB C 159 41.666 41.709 -0.043 1
1 1192 . 8 1 1 A 137 137 LEU N N 159 119.393 121.431 -2.038 1
1 1193 . 8 1 1 A 138 138 LYS H H 160 7.383 9.812 -2.429 1
1 1194 . 8 1 1 A 138 138 LYS HA H 160 3.997 3.709 0.288 1
1 1200 . 8 1 1 A 138 138 LYS CA C 160 60.416 58.672 1.744 1
1 1201 . 8 1 1 A 138 138 LYS CB C 160 31.478 31.572 -0.094 1
1 1205 . 8 1 1 A 138 138 LYS N N 160 119.612 119.276 0.336 1
1 1206 . 8 1 1 A 139 139 GLU H H 161 7.978 8.271 -0.293 1
1 1207 . 8 1 1 A 139 139 GLU HA H 161 4.176 4.065 0.111 1
1 1211 . 8 1 1 A 139 139 GLU CA C 161 59.139 59.275 -0.136 1
1 1212 . 8 1 1 A 139 139 GLU CB C 161 28.417 29.210 -0.793 1
1 1214 . 8 1 1 A 139 139 GLU N N 161 119.510 118.868 0.642 1
1 1215 . 8 1 1 A 140 140 LYS H H 162 7.860 7.445 0.415 1
1 1216 . 8 1 1 A 140 140 LYS HA H 162 4.089 4.051 0.038 1
1 1225 . 8 1 1 A 140 140 LYS CA C 162 59.541 58.885 0.656 1
1 1226 . 8 1 1 A 140 140 LYS CB C 162 32.078 31.969 0.109 1
1 1230 . 8 1 1 A 140 140 LYS N N 162 120.614 119.268 1.346 1
1 1231 . 8 1 1 A 141 141 PHE H H 163 8.548 8.153 0.395 1
1 1232 . 8 1 1 A 141 141 PHE HA H 163 4.444 4.207 0.237 1
1 1235 . 8 1 1 A 141 141 PHE CA C 163 61.551 60.681 0.870 1
1 1236 . 8 1 1 A 141 141 PHE CB C 163 39.975 39.312 0.663 1
1 1237 . 8 1 1 A 141 141 PHE N N 163 119.075 120.680 -1.605 1
1 1238 . 8 1 1 A 142 142 THR H H 164 8.791 7.851 0.940 1
1 1239 . 8 1 1 A 142 142 THR HA H 164 3.721 4.066 -0.345 1
1 1244 . 8 1 1 A 142 142 THR CA C 164 67.495 66.724 0.771 1
1 1245 . 8 1 1 A 142 142 THR CB C 164 68.330 68.953 -0.623 1
1 1247 . 8 1 1 A 142 142 THR N N 164 120.224 115.374 4.850 1
1 1248 . 8 1 1 A 143 143 THR H H 165 8.536 8.686 -0.150 1
1 1249 . 8 1 1 A 143 143 THR HA H 165 3.764 3.921 -0.157 1
1 1254 . 8 1 1 A 143 143 THR CA C 165 66.989 66.843 0.146 1
1 1255 . 8 1 1 A 143 143 THR CB C 165 68.641 68.472 0.169 1
1 1257 . 8 1 1 A 143 143 THR N N 165 118.456 116.375 2.081 1
1 1258 . 8 1 1 A 144 144 PHE H H 166 8.264 8.100 0.164 1
1 1259 . 8 1 1 A 144 144 PHE HA H 166 4.207 4.076 0.131 1
1 1264 . 8 1 1 A 144 144 PHE CA C 166 61.233 61.898 -0.665 1
1 1265 . 8 1 1 A 144 144 PHE CB C 166 39.772 38.992 0.780 1
1 1266 . 8 1 1 A 144 144 PHE N N 166 122.676 122.012 0.664 1
1 1267 . 8 1 1 A 145 145 SER H H 167 8.077 8.044 0.033 1
1 1268 . 8 1 1 A 145 145 SER HA H 167 3.283 4.017 -0.734 1
1 1270 . 8 1 1 A 145 145 SER CA C 167 64.031 62.347 1.684 1
1 1271 . 8 1 1 A 145 145 SER CB C 167 62.339 62.682 -0.343 1
1 1272 . 8 1 1 A 145 145 SER N N 167 115.714 116.374 -0.660 1
1 1273 . 8 1 1 A 146 146 LYS H H 168 8.000 7.966 0.034 1
1 1274 . 8 1 1 A 146 146 LYS HA H 168 4.434 4.277 0.157 1
1 1278 . 8 1 1 A 146 146 LYS CA C 168 58.915 59.156 -0.241 1
1 1279 . 8 1 1 A 146 146 LYS CB C 168 32.022 32.099 -0.077 1
1 1283 . 8 1 1 A 146 146 LYS N N 168 121.529 121.038 0.491 1
1 1284 . 8 1 1 A 147 147 ALA H H 169 7.726 7.689 0.037 1
1 1285 . 8 1 1 A 147 147 ALA HA H 169 4.079 4.082 -0.003 1
1 1289 . 8 1 1 A 147 147 ALA CA C 169 54.255 53.959 0.296 1
1 1290 . 8 1 1 A 147 147 ALA CB C 169 17.264 18.612 -1.348 1
1 1291 . 8 1 1 A 147 147 ALA N N 169 123.249 120.473 2.776 1
1 1292 . 8 1 1 A 148 148 GLN H H 170 7.058 7.223 -0.165 1
1 1293 . 8 1 1 A 148 148 GLN HA H 170 4.139 4.413 -0.274 1
1 1299 . 8 1 1 A 148 148 GLN CA C 170 53.091 54.856 -1.765 1
1 1300 . 8 1 1 A 148 148 GLN CB C 170 26.931 29.101 -2.170 1
1 1302 . 8 1 1 A 148 148 GLN N N 170 113.952 115.858 -1.906 1
1 1304 . 8 1 1 A 149 149 GLY H H 171 7.651 7.833 -0.182 1
1 1305 . 8 1 1 A 149 149 GLY HA2 H 171 3.650 3.971 -0.321 1
1 1306 . 8 1 1 A 149 149 GLY HA3 H 171 4.076 4.000 0.076 1
1 1307 . 8 1 1 A 149 149 GLY CA C 171 45.335 46.023 -0.688 1
1 1308 . 8 1 1 A 149 149 GLY N N 171 106.210 108.523 -2.313 1
1 1309 . 8 1 1 A 150 150 LEU H H 172 7.395 7.594 -0.199 1
1 1310 . 8 1 1 A 150 150 LEU HA H 172 4.543 4.422 0.121 1
1 1319 . 8 1 1 A 150 150 LEU CA C 172 53.499 53.354 0.145 1
1 1320 . 8 1 1 A 150 150 LEU CB C 172 40.838 43.844 -3.006 1
1 1324 . 8 1 1 A 150 150 LEU N N 172 120.964 118.201 2.763 1
1 1325 . 8 1 1 A 151 151 THR H H 173 8.270 8.645 -0.375 1
1 1326 . 8 1 1 A 151 151 THR HA H 173 4.515 4.595 -0.080 1
1 1331 . 8 1 1 A 151 151 THR CA C 173 60.236 61.212 -0.976 1
1 1332 . 8 1 1 A 151 151 THR CB C 173 71.307 70.133 1.174 1
1 1334 . 8 1 1 A 151 151 THR N N 173 110.762 115.345 -4.583 1
1 1335 . 8 1 1 A 152 152 GLU H H 174 9.041 8.978 0.063 1
1 1336 . 8 1 1 A 152 152 GLU HA H 174 3.908 3.924 -0.016 1
1 1340 . 8 1 1 A 152 152 GLU CA C 174 60.190 59.357 0.833 1
1 1341 . 8 1 1 A 152 152 GLU CB C 174 28.823 29.180 -0.357 1
1 1343 . 8 1 1 A 152 152 GLU N N 174 118.629 123.227 -4.598 1
1 1344 . 8 1 1 A 153 153 GLU H H 175 8.200 7.915 0.285 1
1 1345 . 8 1 1 A 153 153 GLU HA H 175 4.222 4.056 0.166 1
1 1349 . 8 1 1 A 153 153 GLU CA C 175 58.093 58.813 -0.720 1
1 1350 . 8 1 1 A 153 153 GLU CB C 175 28.697 29.563 -0.866 1
1 1352 . 8 1 1 A 153 153 GLU N N 175 115.885 119.950 -4.065 1
1 1353 . 8 1 1 A 154 154 ASP H H 176 7.833 8.037 -0.204 1
1 1354 . 8 1 1 A 154 154 ASP HA H 176 4.873 4.767 0.106 1
1 1357 . 8 1 1 A 154 154 ASP CA C 176 53.936 54.151 -0.215 1
1 1358 . 8 1 1 A 154 154 ASP CB C 176 41.470 41.811 -0.341 1
1 1359 . 8 1 1 A 154 154 ASP N N 176 118.196 118.562 -0.366 1
1 1360 . 8 1 1 A 155 155 ILE H H 177 7.007 7.326 -0.319 1
1 1361 . 8 1 1 A 155 155 ILE HA H 177 4.367 4.449 -0.082 1
1 1369 . 8 1 1 A 155 155 ILE CA C 177 61.493 59.313 2.180 1
1 1370 . 8 1 1 A 155 155 ILE CB C 177 40.374 40.586 -0.212 1
1 1374 . 8 1 1 A 155 155 ILE N N 177 117.852 119.656 -1.804 1
1 1375 . 8 1 1 A 156 156 VAL H H 178 9.203 9.251 -0.048 1
1 1376 . 8 1 1 A 156 156 VAL HA H 178 4.544 4.421 0.123 1
1 1381 . 8 1 1 A 156 156 VAL CA C 178 60.448 60.319 0.129 1
1 1382 . 8 1 1 A 156 156 VAL CB C 178 36.233 34.590 1.643 1
1 1384 . 8 1 1 A 156 156 VAL N N 178 126.166 124.174 1.992 1
1 1385 . 8 1 1 A 157 157 PHE H H 179 8.718 8.484 0.234 1
1 1386 . 8 1 1 A 157 157 PHE HA H 179 5.010 5.046 -0.036 1
1 1391 . 8 1 1 A 157 157 PHE CA C 179 58.363 56.964 1.399 1
1 1392 . 8 1 1 A 157 157 PHE CB C 179 38.344 39.489 -1.145 1
1 1394 . 8 1 1 A 157 157 PHE N N 179 124.905 126.034 -1.129 1
1 1395 . 8 1 1 A 158 158 LEU H H 180 7.459 8.747 -1.288 1
1 1396 . 8 1 1 A 158 158 LEU HA H 180 4.402 4.469 -0.067 1
1 1397 . 8 1 1 A 158 158 LEU CA C 180 53.074 53.357 -0.283 1
1 1398 . 8 1 1 A 158 158 LEU CB C 180 41.738 41.684 0.054 1
1 1399 . 8 1 1 A 158 158 LEU N N 180 125.466 125.779 -0.313 1
1 1400 . 8 1 1 A 159 159 PRO HA H 181 4.771 4.597 0.174 1
1 1401 . 8 1 1 A 159 159 PRO CA C 181 61.916 62.131 -0.215 1
1 1402 . 8 1 1 A 159 159 PRO CB C 181 32.363 32.990 -0.627 1
1 1405 . 8 1 1 A 161 161 PRO HA H 183 4.666 4.795 -0.129 1
1 1409 . 8 1 1 A 161 161 PRO CA C 183 62.292 62.417 -0.125 1
1 1410 . 8 1 1 A 161 161 PRO CB C 183 33.337 33.277 0.060 1
1 1412 . 8 1 1 A 162 162 ASP H H 184 8.449 9.120 -0.671 1
1 1413 . 8 1 1 A 162 162 ASP HA H 184 4.467 4.825 -0.358 1
1 1416 . 8 1 1 A 162 162 ASP CA C 184 54.064 53.706 0.358 1
1 1417 . 8 1 1 A 162 162 ASP CB C 184 39.919 42.270 -2.351 1
1 1418 . 8 1 1 A 162 162 ASP N N 184 117.032 119.749 -2.717 1
1 1419 . 8 1 1 A 163 163 LYS H H 185 7.195 7.994 -0.799 1
1 1420 . 8 1 1 A 163 163 LYS HA H 185 4.588 3.960 0.628 1
1 1426 . 8 1 1 A 163 163 LYS CA C 185 55.499 57.267 -1.768 1
1 1427 . 8 1 1 A 163 163 LYS CB C 185 35.558 30.614 4.944 1
1 1431 . 8 1 1 A 163 163 LYS N N 185 115.300 117.234 -1.934 1
1 1432 . 8 1 1 A 164 164 CYS H H 186 8.427 7.927 0.500 1
1 1433 . 8 1 1 A 164 164 CYS HA H 186 4.313 4.576 -0.263 1
1 1436 . 8 1 1 A 164 164 CYS CA C 186 57.607 55.322 2.285 1
1 1437 . 8 1 1 A 164 164 CYS CB C 186 35.042 41.215 -6.173 1
1 1438 . 8 1 1 A 164 164 CYS N N 186 107.133 120.259 -13.126 1
1 1439 . 8 1 1 A 165 165 ILE H H 187 7.881 8.308 -0.427 1
1 1440 . 8 1 1 A 165 165 ILE HA H 187 4.549 3.926 0.623 1
1 1450 . 8 1 1 A 165 165 ILE CA C 187 61.529 63.508 -1.979 1
1 1451 . 8 1 1 A 165 165 ILE CB C 187 39.748 38.256 1.492 1
1 1455 . 8 1 1 A 165 165 ILE N N 187 113.570 128.186 -14.616 1
1 1456 . 8 1 1 A 166 166 GLN H H 188 8.308 7.522 0.786 1
1 1457 . 8 1 1 A 166 166 GLN HA H 188 4.303 4.425 -0.122 1
1 1462 . 8 1 1 A 166 166 GLN CA C 188 56.928 55.256 1.672 1
1 1463 . 8 1 1 A 166 166 GLN CB C 188 28.637 28.644 -0.007 1
1 1465 . 8 1 1 A 166 166 GLN N N 188 122.915 121.111 1.804 1
1 3 . 9 1 1 A 2 2 SER H H 24 8.695 8.003 0.692 1
1 4 . 9 1 1 A 2 2 SER HA H 24 4.531 5.014 -0.483 1
1 6 . 9 1 1 A 2 2 SER CA C 24 58.296 57.641 0.655 1
1 7 . 9 1 1 A 2 2 SER CB C 24 63.897 67.246 -3.349 1
1 8 . 9 1 1 A 2 2 SER N N 24 115.751 115.574 0.177 1
1 9 . 9 1 1 A 3 3 GLN H H 25 8.618 8.596 0.022 1
1 10 . 9 1 1 A 3 3 GLN HA H 25 4.367 4.787 -0.420 1
1 14 . 9 1 1 A 3 3 GLN CA C 25 56.059 54.753 1.306 1
1 15 . 9 1 1 A 3 3 GLN CB C 25 29.248 32.799 -3.551 1
1 17 . 9 1 1 A 3 3 GLN N N 25 122.346 120.842 1.504 1
1 18 . 9 1 1 A 4 4 GLY H H 26 8.431 8.783 -0.352 1
1 19 . 9 1 1 A 4 4 GLY HA2 H 26 3.904 3.942 -0.038 1
1 20 . 9 1 1 A 4 4 GLY CA C 26 45.171 45.882 -0.711 1
1 21 . 9 1 1 A 4 4 GLY N N 26 109.885 110.825 -0.940 1
1 22 . 9 1 1 A 5 5 HIS H H 27 8.342 8.516 -0.174 1
1 23 . 9 1 1 A 5 5 HIS HA H 27 4.750 4.178 0.572 1
1 27 . 9 1 1 A 5 5 HIS CA C 27 54.946 56.783 -1.837 1
1 28 . 9 1 1 A 5 5 HIS CB C 27 29.344 27.873 1.471 1
1 30 . 9 1 1 A 5 5 HIS N N 27 117.765 115.409 2.356 1
1 31 . 9 1 1 A 6 6 ASP H H 28 8.518 8.245 0.273 1
1 32 . 9 1 1 A 6 6 ASP HA H 28 4.735 4.789 -0.054 1
1 35 . 9 1 1 A 6 6 ASP CA C 28 54.282 53.190 1.092 1
1 36 . 9 1 1 A 6 6 ASP CB C 28 41.098 38.695 2.403 1
1 37 . 9 1 1 A 6 6 ASP N N 28 121.910 118.187 3.723 1
1 38 . 9 1 1 A 7 7 THR H H 29 8.250 8.721 -0.471 1
1 39 . 9 1 1 A 7 7 THR HA H 29 4.343 4.181 0.162 1
1 44 . 9 1 1 A 7 7 THR CA C 29 62.124 64.666 -2.542 1
1 45 . 9 1 1 A 7 7 THR CB C 29 69.861 69.318 0.543 1
1 47 . 9 1 1 A 7 7 THR N N 29 116.925 116.574 0.351 1
1 48 . 9 1 1 A 8 8 VAL H H 30 7.798 7.916 -0.118 1
1 49 . 9 1 1 A 8 8 VAL HA H 30 4.369 4.778 -0.409 1
1 54 . 9 1 1 A 8 8 VAL CA C 30 60.171 60.295 -0.124 1
1 55 . 9 1 1 A 8 8 VAL CB C 30 34.758 35.974 -1.216 1
1 57 . 9 1 1 A 8 8 VAL N N 30 119.837 117.756 2.081 1
1 58 . 9 1 1 A 9 9 GLN H H 31 8.472 8.556 -0.084 1
1 59 . 9 1 1 A 9 9 GLN HA H 31 4.383 4.405 -0.022 1
1 63 . 9 1 1 A 9 9 GLN CA C 31 53.204 53.657 -0.453 1
1 64 . 9 1 1 A 9 9 GLN CB C 31 29.785 29.289 0.496 1
1 66 . 9 1 1 A 9 9 GLN N N 31 127.192 125.163 2.029 1
1 68 . 9 1 1 A 10 10 PRO HA H 32 4.426 4.446 -0.020 1
1 73 . 9 1 1 A 10 10 PRO CA C 32 63.431 63.630 -0.199 1
1 74 . 9 1 1 A 10 10 PRO CB C 32 32.297 32.192 0.105 1
1 77 . 9 1 1 A 11 11 ASN H H 33 8.972 9.047 -0.075 1
1 78 . 9 1 1 A 11 11 ASN HA H 33 4.539 4.456 0.083 1
1 83 . 9 1 1 A 11 11 ASN CA C 33 53.563 53.853 -0.290 1
1 84 . 9 1 1 A 11 11 ASN CB C 33 37.923 37.141 0.782 1
1 85 . 9 1 1 A 11 11 ASN N N 33 119.013 119.732 -0.719 1
1 87 . 9 1 1 A 12 12 PHE H H 34 7.996 8.352 -0.356 1
1 88 . 9 1 1 A 12 12 PHE HA H 34 4.186 5.047 -0.861 1
1 91 . 9 1 1 A 12 12 PHE CA C 34 59.402 57.229 2.173 1
1 92 . 9 1 1 A 12 12 PHE CB C 34 39.516 40.718 -1.202 1
1 93 . 9 1 1 A 12 12 PHE N N 34 119.073 121.186 -2.113 1
1 94 . 9 1 1 A 13 13 GLN H H 35 7.402 8.706 -1.304 1
1 95 . 9 1 1 A 13 13 GLN HA H 35 4.303 4.525 -0.222 1
1 101 . 9 1 1 A 13 13 GLN CA C 35 53.093 55.971 -2.878 1
1 102 . 9 1 1 A 13 13 GLN CB C 35 29.598 30.854 -1.256 1
1 104 . 9 1 1 A 13 13 GLN N N 35 128.226 125.974 2.252 1
1 106 . 9 1 1 A 14 14 GLN H H 36 8.736 8.773 -0.037 1
1 107 . 9 1 1 A 14 14 GLN HA H 36 3.503 4.101 -0.598 1
1 110 . 9 1 1 A 14 14 GLN CA C 36 60.089 59.131 0.958 1
1 111 . 9 1 1 A 14 14 GLN CB C 36 29.596 28.333 1.263 1
1 113 . 9 1 1 A 14 14 GLN N N 36 124.702 125.294 -0.592 1
1 114 . 9 1 1 A 15 15 ASP H H 37 8.628 8.248 0.380 1
1 115 . 9 1 1 A 15 15 ASP HA H 37 4.229 4.451 -0.222 1
1 118 . 9 1 1 A 15 15 ASP CA C 37 56.326 57.092 -0.766 1
1 119 . 9 1 1 A 15 15 ASP CB C 37 39.182 40.107 -0.925 1
1 120 . 9 1 1 A 15 15 ASP N N 37 114.027 119.901 -5.874 1
1 121 . 9 1 1 A 16 16 LYS H H 38 6.859 7.913 -1.054 1
1 122 . 9 1 1 A 16 16 LYS HA H 38 4.060 4.238 -0.178 1
1 124 . 9 1 1 A 16 16 LYS CA C 38 56.445 58.484 -2.039 1
1 125 . 9 1 1 A 16 16 LYS CB C 38 31.077 32.129 -1.052 1
1 129 . 9 1 1 A 16 16 LYS N N 38 116.638 120.189 -3.551 1
1 130 . 9 1 1 A 17 17 PHE H H 39 7.454 7.473 -0.019 1
1 131 . 9 1 1 A 17 17 PHE HA H 39 4.822 4.320 0.502 1
1 135 . 9 1 1 A 17 17 PHE CA C 39 57.301 60.058 -2.757 1
1 136 . 9 1 1 A 17 17 PHE CB C 39 42.087 39.546 2.541 1
1 137 . 9 1 1 A 17 17 PHE N N 39 119.221 116.421 2.800 1
1 138 . 9 1 1 A 18 18 LEU H H 40 6.674 7.826 -1.152 1
1 139 . 9 1 1 A 18 18 LEU HA H 40 3.911 5.223 -1.312 1
1 149 . 9 1 1 A 18 18 LEU CA C 40 54.860 53.983 0.877 1
1 150 . 9 1 1 A 18 18 LEU CB C 40 42.421 43.576 -1.155 1
1 154 . 9 1 1 A 18 18 LEU N N 40 112.003 115.786 -3.783 1
1 155 . 9 1 1 A 19 19 GLY H H 41 8.876 8.417 0.459 1
1 156 . 9 1 1 A 19 19 GLY HA2 H 41 3.718 3.941 -0.223 1
1 157 . 9 1 1 A 19 19 GLY HA3 H 41 4.341 4.037 0.304 1
1 158 . 9 1 1 A 19 19 GLY CA C 41 44.093 45.480 -1.387 1
1 159 . 9 1 1 A 19 19 GLY N N 41 107.870 109.028 -1.158 1
1 160 . 9 1 1 A 20 20 ARG H H 42 8.678 8.034 0.644 1
1 161 . 9 1 1 A 20 20 ARG HA H 42 4.495 4.359 0.136 1
1 163 . 9 1 1 A 20 20 ARG CA C 42 56.924 55.696 1.228 1
1 164 . 9 1 1 A 20 20 ARG CB C 42 30.828 31.240 -0.412 1
1 165 . 9 1 1 A 20 20 ARG N N 42 121.873 119.727 2.146 1
1 166 . 9 1 1 A 21 21 TRP H H 43 9.320 8.854 0.466 1
1 167 . 9 1 1 A 21 21 TRP HA H 43 4.685 4.880 -0.195 1
1 171 . 9 1 1 A 21 21 TRP CA C 43 55.343 55.426 -0.083 1
1 172 . 9 1 1 A 21 21 TRP CB C 43 34.550 34.084 0.466 1
1 174 . 9 1 1 A 21 21 TRP N N 43 130.676 121.665 9.011 1
1 176 . 9 1 1 A 22 22 TYR H H 44 9.661 8.997 0.664 1
1 177 . 9 1 1 A 22 22 TYR HA H 44 5.607 5.038 0.569 1
1 182 . 9 1 1 A 22 22 TYR CA C 44 56.782 56.641 0.141 1
1 183 . 9 1 1 A 22 22 TYR CB C 44 39.975 41.536 -1.561 1
1 186 . 9 1 1 A 22 22 TYR N N 44 117.926 120.223 -2.297 1
1 187 . 9 1 1 A 23 23 SER H H 45 9.249 8.583 0.666 1
1 188 . 9 1 1 A 23 23 SER HA H 45 4.705 4.842 -0.137 1
1 191 . 9 1 1 A 23 23 SER CA C 45 57.060 59.648 -2.588 1
1 192 . 9 1 1 A 23 23 SER CB C 45 62.668 63.577 -0.909 1
1 193 . 9 1 1 A 23 23 SER N N 45 119.038 119.704 -0.666 1
1 194 . 9 1 1 A 24 24 ALA H H 46 8.724 8.727 -0.003 1
1 195 . 9 1 1 A 24 24 ALA HA H 46 4.877 4.676 0.201 1
1 199 . 9 1 1 A 24 24 ALA CA C 46 51.953 51.164 0.789 1
1 200 . 9 1 1 A 24 24 ALA CB C 46 22.855 22.510 0.345 1
1 201 . 9 1 1 A 24 24 ALA N N 46 126.183 126.062 0.121 1
1 202 . 9 1 1 A 25 25 GLY H H 47 7.820 8.599 -0.779 1
1 203 . 9 1 1 A 25 25 GLY HA2 H 47 2.841 3.250 -0.409 1
1 204 . 9 1 1 A 25 25 GLY HA3 H 47 4.943 3.501 1.442 1
1 205 . 9 1 1 A 25 25 GLY CA C 47 45.285 46.581 -1.296 1
1 206 . 9 1 1 A 25 25 GLY N N 47 107.738 107.532 0.206 1
1 207 . 9 1 1 A 26 26 LEU H H 48 9.082 8.072 1.010 1
1 208 . 9 1 1 A 26 26 LEU HA H 48 5.454 4.790 0.664 1
1 217 . 9 1 1 A 26 26 LEU CA C 48 54.277 53.445 0.832 1
1 218 . 9 1 1 A 26 26 LEU CB C 48 49.097 45.241 3.856 1
1 222 . 9 1 1 A 26 26 LEU N N 48 125.132 125.244 -0.112 1
1 223 . 9 1 1 A 27 27 ALA H H 49 8.854 8.316 0.538 1
1 224 . 9 1 1 A 27 27 ALA HA H 49 5.571 5.445 0.126 1
1 228 . 9 1 1 A 27 27 ALA CA C 49 50.788 51.043 -0.255 1
1 229 . 9 1 1 A 27 27 ALA CB C 49 24.289 22.687 1.602 1
1 230 . 9 1 1 A 27 27 ALA N N 49 123.650 125.252 -1.602 1
1 231 . 9 1 1 A 28 28 SER H H 50 7.321 8.696 -1.375 1
1 232 . 9 1 1 A 28 28 SER HA H 50 4.625 4.857 -0.232 1
1 235 . 9 1 1 A 28 28 SER CA C 50 56.119 57.544 -1.425 1
1 236 . 9 1 1 A 28 28 SER CB C 50 64.886 66.699 -1.813 1
1 237 . 9 1 1 A 28 28 SER N N 50 113.858 116.187 -2.329 1
1 238 . 9 1 1 A 29 29 ASN H H 51 7.743 8.655 -0.912 1
1 239 . 9 1 1 A 29 29 ASN HA H 51 4.809 4.719 0.090 1
1 244 . 9 1 1 A 29 29 ASN CA C 51 51.651 56.860 -5.209 1
1 245 . 9 1 1 A 29 29 ASN CB C 51 37.860 38.271 -0.411 1
1 246 . 9 1 1 A 29 29 ASN N N 51 120.399 122.960 -2.561 1
1 248 . 9 1 1 A 30 30 SER H H 52 8.156 8.085 0.071 1
1 249 . 9 1 1 A 30 30 SER HA H 52 4.460 4.475 -0.015 1
1 252 . 9 1 1 A 30 30 SER CA C 52 58.432 58.521 -0.089 1
1 253 . 9 1 1 A 30 30 SER CB C 52 64.745 64.257 0.488 1
1 254 . 9 1 1 A 30 30 SER N N 52 116.012 115.049 0.963 1
1 255 . 9 1 1 A 31 31 SER H H 53 9.142 8.487 0.655 1
1 256 . 9 1 1 A 31 31 SER HA H 53 4.003 5.024 -1.021 1
1 258 . 9 1 1 A 31 31 SER N N 53 120.999 114.539 6.460 1
1 259 . 9 1 1 A 32 32 TRP H H 54 8.030 7.950 0.080 1
1 260 . 9 1 1 A 32 32 TRP HA H 54 4.329 4.310 0.019 1
1 265 . 9 1 1 A 32 32 TRP CA C 54 60.082 60.133 -0.051 1
1 266 . 9 1 1 A 32 32 TRP CB C 54 28.641 29.496 -0.855 1
1 268 . 9 1 1 A 32 32 TRP N N 54 121.477 123.398 -1.921 1
1 270 . 9 1 1 A 33 33 PHE H H 55 7.333 8.414 -1.081 1
1 271 . 9 1 1 A 33 33 PHE HA H 55 3.603 4.126 -0.523 1
1 275 . 9 1 1 A 33 33 PHE CA C 55 61.288 62.062 -0.774 1
1 276 . 9 1 1 A 33 33 PHE CB C 55 39.446 39.134 0.312 1
1 278 . 9 1 1 A 33 33 PHE N N 55 120.174 120.691 -0.517 1
1 279 . 9 1 1 A 34 34 ARG H H 56 7.860 8.267 -0.407 1
1 280 . 9 1 1 A 34 34 ARG HA H 56 3.721 3.994 -0.273 1
1 285 . 9 1 1 A 34 34 ARG CA C 56 59.457 59.744 -0.287 1
1 286 . 9 1 1 A 34 34 ARG CB C 56 30.014 29.872 0.142 1
1 289 . 9 1 1 A 34 34 ARG N N 56 117.452 118.407 -0.955 1
1 290 . 9 1 1 A 35 35 GLU H H 57 7.715 8.099 -0.384 1
1 291 . 9 1 1 A 35 35 GLU HA H 57 4.100 4.074 0.026 1
1 295 . 9 1 1 A 35 35 GLU CA C 57 57.997 58.734 -0.737 1
1 296 . 9 1 1 A 35 35 GLU CB C 57 29.970 29.005 0.965 1
1 298 . 9 1 1 A 35 35 GLU N N 57 116.049 118.347 -2.298 1
1 299 . 9 1 1 A 36 36 LYS H H 58 7.614 7.825 -0.211 1
1 300 . 9 1 1 A 36 36 LYS HA H 58 4.225 4.390 -0.165 1
1 305 . 9 1 1 A 36 36 LYS CA C 58 55.355 55.572 -0.217 1
1 306 . 9 1 1 A 36 36 LYS CB C 58 32.528 32.520 0.008 1
1 310 . 9 1 1 A 36 36 LYS N N 58 116.955 117.388 -0.433 1
1 311 . 9 1 1 A 37 37 LYS H H 59 7.546 7.520 0.026 1
1 312 . 9 1 1 A 37 37 LYS HA H 59 3.403 4.002 -0.599 1
1 315 . 9 1 1 A 37 37 LYS CA C 59 59.757 58.712 1.045 1
1 316 . 9 1 1 A 37 37 LYS CB C 59 31.569 32.257 -0.688 1
1 320 . 9 1 1 A 37 37 LYS N N 59 118.551 121.043 -2.492 1
1 321 . 9 1 1 A 38 38 ALA H H 60 7.940 7.631 0.309 1
1 322 . 9 1 1 A 38 38 ALA HA H 60 4.215 4.108 0.107 1
1 326 . 9 1 1 A 38 38 ALA CA C 60 53.352 54.209 -0.857 1
1 327 . 9 1 1 A 38 38 ALA CB C 60 19.247 18.205 1.042 1
1 328 . 9 1 1 A 38 38 ALA N N 60 118.227 121.140 -2.913 1
1 329 . 9 1 1 A 39 39 VAL H H 61 7.917 7.522 0.395 1
1 330 . 9 1 1 A 39 39 VAL HA H 61 4.466 4.540 -0.074 1
1 338 . 9 1 1 A 39 39 VAL CA C 61 60.339 60.481 -0.142 1
1 339 . 9 1 1 A 39 39 VAL CB C 61 31.626 31.479 0.147 1
1 342 . 9 1 1 A 39 39 VAL N N 61 111.011 107.785 3.226 1
1 343 . 9 1 1 A 40 40 LEU H H 62 6.773 6.933 -0.160 1
1 344 . 9 1 1 A 40 40 LEU HA H 62 4.495 3.842 0.653 1
1 350 . 9 1 1 A 40 40 LEU CA C 62 54.357 55.352 -0.995 1
1 351 . 9 1 1 A 40 40 LEU CB C 62 43.272 41.163 2.109 1
1 353 . 9 1 1 A 40 40 LEU N N 62 121.749 125.920 -4.171 1
1 354 . 9 1 1 A 41 41 TYR H H 63 8.277 8.296 -0.019 1
1 355 . 9 1 1 A 41 41 TYR HA H 63 4.837 5.681 -0.844 1
1 358 . 9 1 1 A 41 41 TYR CA C 63 56.696 55.340 1.356 1
1 359 . 9 1 1 A 41 41 TYR CB C 63 42.753 40.525 2.228 1
1 360 . 9 1 1 A 41 41 TYR N N 63 118.215 123.435 -5.220 1
1 361 . 9 1 1 A 42 42 MET H H 64 8.749 9.164 -0.415 1
1 362 . 9 1 1 A 42 42 MET HA H 64 4.324 5.217 -0.893 1
1 368 . 9 1 1 A 42 42 MET CA C 64 57.707 54.152 3.555 1
1 369 . 9 1 1 A 42 42 MET CB C 64 35.348 34.843 0.505 1
1 372 . 9 1 1 A 42 42 MET N N 64 122.104 123.892 -1.788 1
1 373 . 9 1 1 A 43 43 ALA H H 65 7.715 9.449 -1.734 1
1 374 . 9 1 1 A 43 43 ALA HA H 65 5.260 5.610 -0.350 1
1 378 . 9 1 1 A 43 43 ALA CA C 65 50.030 50.222 -0.192 1
1 379 . 9 1 1 A 43 43 ALA CB C 65 22.614 22.187 0.427 1
1 380 . 9 1 1 A 43 43 ALA N N 65 126.545 129.671 -3.126 1
1 381 . 9 1 1 A 44 44 LYS H H 66 8.405 9.639 -1.234 1
1 382 . 9 1 1 A 44 44 LYS HA H 66 4.790 4.940 -0.150 1
1 385 . 9 1 1 A 44 44 LYS CA C 66 55.700 55.653 0.047 1
1 386 . 9 1 1 A 44 44 LYS CB C 66 34.887 33.483 1.404 1
1 387 . 9 1 1 A 44 44 LYS N N 66 122.330 122.640 -0.310 1
1 388 . 9 1 1 A 45 45 THR H H 67 9.398 8.524 0.874 1
1 389 . 9 1 1 A 45 45 THR HA H 67 5.067 5.299 -0.232 1
1 394 . 9 1 1 A 45 45 THR CA C 67 62.069 61.956 0.113 1
1 395 . 9 1 1 A 45 45 THR CB C 67 72.034 70.508 1.526 1
1 397 . 9 1 1 A 45 45 THR N N 67 125.471 120.803 4.668 1
1 398 . 9 1 1 A 46 46 VAL H H 68 9.026 8.537 0.489 1
1 399 . 9 1 1 A 46 46 VAL HA H 68 4.510 4.947 -0.437 1
1 404 . 9 1 1 A 46 46 VAL CA C 68 61.532 61.093 0.439 1
1 405 . 9 1 1 A 46 46 VAL CB C 68 33.257 34.719 -1.462 1
1 407 . 9 1 1 A 46 46 VAL N N 68 126.960 126.198 0.762 1
1 408 . 9 1 1 A 47 47 VAL H H 69 9.346 8.721 0.625 1
1 409 . 9 1 1 A 47 47 VAL HA H 69 4.700 4.635 0.065 1
1 417 . 9 1 1 A 47 47 VAL CA C 69 61.990 61.600 0.390 1
1 418 . 9 1 1 A 47 47 VAL CB C 69 32.495 32.559 -0.064 1
1 421 . 9 1 1 A 47 47 VAL N N 69 130.792 129.194 1.598 1
1 422 . 9 1 1 A 48 48 ALA H H 70 9.268 9.005 0.263 1
1 423 . 9 1 1 A 48 48 ALA HA H 70 5.121 4.815 0.306 1
1 427 . 9 1 1 A 48 48 ALA CA C 70 49.710 49.373 0.337 1
1 428 . 9 1 1 A 48 48 ALA CB C 70 21.349 21.327 0.022 1
1 429 . 9 1 1 A 48 48 ALA N N 70 133.796 130.141 3.655 1
1 430 . 9 1 1 A 49 49 PRO HA H 71 4.842 4.934 -0.092 1
1 433 . 9 1 1 A 49 49 PRO CA C 71 63.040 63.161 -0.121 1
1 434 . 9 1 1 A 49 49 PRO CB C 71 32.195 31.938 0.257 1
1 437 . 9 1 1 A 50 50 SER H H 72 8.025 8.804 -0.779 1
1 438 . 9 1 1 A 50 50 SER HA H 72 4.914 4.821 0.093 1
1 441 . 9 1 1 A 50 50 SER CA C 72 55.615 56.442 -0.827 1
1 442 . 9 1 1 A 50 50 SER CB C 72 65.439 65.631 -0.192 1
1 443 . 9 1 1 A 50 50 SER N N 72 117.492 117.407 0.085 1
1 444 . 9 1 1 A 51 51 THR H H 73 8.730 9.017 -0.287 1
1 445 . 9 1 1 A 51 51 THR HA H 73 4.145 4.152 -0.007 1
1 450 . 9 1 1 A 51 51 THR CA C 73 64.544 65.135 -0.591 1
1 451 . 9 1 1 A 51 51 THR CB C 73 68.785 68.504 0.281 1
1 453 . 9 1 1 A 51 51 THR N N 73 116.878 119.735 -2.857 1
1 454 . 9 1 1 A 52 52 GLU H H 74 8.151 7.775 0.376 1
1 455 . 9 1 1 A 52 52 GLU HA H 74 4.475 4.361 0.114 1
1 459 . 9 1 1 A 52 52 GLU CA C 74 56.422 56.378 0.044 1
1 460 . 9 1 1 A 52 52 GLU CB C 74 28.860 30.165 -1.305 1
1 462 . 9 1 1 A 52 52 GLU N N 74 118.204 119.366 -1.162 1
1 463 . 9 1 1 A 53 53 GLY H H 75 7.778 8.456 -0.678 1
1 464 . 9 1 1 A 53 53 GLY HA2 H 75 3.864 3.930 -0.066 1
1 465 . 9 1 1 A 53 53 GLY HA3 H 75 4.446 3.937 0.509 1
1 466 . 9 1 1 A 53 53 GLY CA C 75 45.501 45.752 -0.251 1
1 467 . 9 1 1 A 53 53 GLY N N 75 106.348 108.593 -2.245 1
1 468 . 9 1 1 A 54 54 GLY H H 76 7.775 8.053 -0.278 1
1 469 . 9 1 1 A 54 54 GLY HA2 H 76 4.177 4.179 -0.002 1
1 470 . 9 1 1 A 54 54 GLY HA3 H 76 4.677 4.203 0.474 1
1 471 . 9 1 1 A 54 54 GLY CA C 76 43.906 44.929 -1.023 1
1 472 . 9 1 1 A 54 54 GLY N N 76 108.460 107.763 0.697 1
1 473 . 9 1 1 A 55 55 LEU H H 77 8.311 8.164 0.147 1
1 474 . 9 1 1 A 55 55 LEU HA H 77 5.116 5.340 -0.224 1
1 477 . 9 1 1 A 55 55 LEU CA C 77 53.425 53.499 -0.074 1
1 478 . 9 1 1 A 55 55 LEU CB C 77 47.604 46.381 1.223 1
1 479 . 9 1 1 A 55 55 LEU N N 77 120.236 122.163 -1.927 1
1 480 . 9 1 1 A 56 56 ASN H H 78 9.424 10.050 -0.626 1
1 481 . 9 1 1 A 56 56 ASN HA H 78 5.149 5.703 -0.554 1
1 485 . 9 1 1 A 56 56 ASN CA C 78 52.316 51.477 0.839 1
1 486 . 9 1 1 A 56 56 ASN CB C 78 40.839 40.202 0.637 1
1 487 . 9 1 1 A 56 56 ASN N N 78 120.305 120.788 -0.483 1
1 489 . 9 1 1 A 57 57 LEU H H 79 9.259 8.369 0.890 1
1 490 . 9 1 1 A 57 57 LEU HA H 79 4.903 5.947 -1.044 1
1 491 . 9 1 1 A 57 57 LEU CA C 79 54.713 54.022 0.691 1
1 492 . 9 1 1 A 57 57 LEU CB C 79 42.533 42.466 0.067 1
1 493 . 9 1 1 A 57 57 LEU N N 79 127.309 123.076 4.233 1
1 494 . 9 1 1 A 58 58 THR H H 80 8.973 9.564 -0.591 1
1 495 . 9 1 1 A 58 58 THR HA H 80 4.941 5.117 -0.176 1
1 500 . 9 1 1 A 58 58 THR CA C 80 62.501 61.907 0.594 1
1 501 . 9 1 1 A 58 58 THR CB C 80 68.984 69.593 -0.609 1
1 503 . 9 1 1 A 58 58 THR N N 80 122.763 120.070 2.693 1
1 504 . 9 1 1 A 59 59 SER H H 81 9.549 8.803 0.746 1
1 505 . 9 1 1 A 59 59 SER HA H 81 6.045 5.689 0.356 1
1 507 . 9 1 1 A 59 59 SER CA C 81 57.242 57.061 0.181 1
1 508 . 9 1 1 A 59 59 SER CB C 81 65.536 64.176 1.360 1
1 509 . 9 1 1 A 59 59 SER N N 81 126.425 122.458 3.967 1
1 510 . 9 1 1 A 60 60 THR H H 82 9.332 9.075 0.257 1
1 511 . 9 1 1 A 60 60 THR HA H 82 5.464 5.118 0.346 1
1 516 . 9 1 1 A 60 60 THR CA C 82 61.719 60.474 1.245 1
1 517 . 9 1 1 A 60 60 THR CB C 82 70.846 70.666 0.180 1
1 519 . 9 1 1 A 60 60 THR N N 82 121.445 118.245 3.200 1
1 520 . 9 1 1 A 61 61 PHE H H 83 8.794 8.195 0.599 1
1 521 . 9 1 1 A 61 61 PHE HA H 83 5.266 7.089 -1.823 1
1 525 . 9 1 1 A 61 61 PHE CA C 83 54.698 55.162 -0.464 1
1 526 . 9 1 1 A 61 61 PHE CB C 83 42.327 42.766 -0.439 1
1 528 . 9 1 1 A 61 61 PHE N N 83 121.707 120.066 1.641 1
1 529 . 9 1 1 A 62 62 LEU H H 84 8.915 8.770 0.145 1
1 530 . 9 1 1 A 62 62 LEU HA H 84 4.885 5.616 -0.731 1
1 540 . 9 1 1 A 62 62 LEU CA C 84 54.447 53.725 0.722 1
1 541 . 9 1 1 A 62 62 LEU CB C 84 43.627 45.310 -1.683 1
1 545 . 9 1 1 A 62 62 LEU N N 84 122.160 122.703 -0.543 1
1 546 . 9 1 1 A 63 63 ARG H H 85 9.213 9.463 -0.250 1
1 547 . 9 1 1 A 63 63 ARG HA H 85 4.645 5.012 -0.367 1
1 551 . 9 1 1 A 63 63 ARG CA C 85 56.244 54.733 1.511 1
1 552 . 9 1 1 A 63 63 ARG CB C 85 32.551 32.599 -0.048 1
1 555 . 9 1 1 A 63 63 ARG N N 85 128.889 125.787 3.102 1
1 556 . 9 1 1 A 64 64 LYS H H 86 9.466 9.502 -0.036 1
1 557 . 9 1 1 A 64 64 LYS HA H 86 3.869 3.967 -0.098 1
1 563 . 9 1 1 A 64 64 LYS CA C 86 58.497 57.514 0.983 1
1 564 . 9 1 1 A 64 64 LYS CB C 86 30.202 30.867 -0.665 1
1 568 . 9 1 1 A 64 64 LYS N N 86 127.634 119.636 7.998 1
1 569 . 9 1 1 A 65 65 ASN H H 87 8.648 8.489 0.159 1
1 570 . 9 1 1 A 65 65 ASN HA H 87 4.500 4.245 0.255 1
1 575 . 9 1 1 A 65 65 ASN CA C 87 54.059 54.467 -0.408 1
1 576 . 9 1 1 A 65 65 ASN CB C 87 38.861 37.686 1.175 1
1 577 . 9 1 1 A 65 65 ASN N N 87 113.645 113.269 0.376 1
1 579 . 9 1 1 A 66 66 GLN H H 88 8.009 7.723 0.286 1
1 580 . 9 1 1 A 66 66 GLN HA H 88 4.720 4.880 -0.160 1
1 586 . 9 1 1 A 66 66 GLN CA C 88 53.951 54.665 -0.714 1
1 587 . 9 1 1 A 66 66 GLN CB C 88 32.360 31.370 0.990 1
1 589 . 9 1 1 A 66 66 GLN N N 88 118.506 117.489 1.017 1
1 591 . 9 1 1 A 67 67 CYS H H 89 8.712 8.924 -0.212 1
1 592 . 9 1 1 A 67 67 CYS HA H 89 5.398 5.713 -0.315 1
1 595 . 9 1 1 A 67 67 CYS CA C 89 52.821 54.216 -1.395 1
1 596 . 9 1 1 A 67 67 CYS CB C 89 36.780 44.913 -8.133 1
1 597 . 9 1 1 A 67 67 CYS N N 89 119.694 124.232 -4.538 1
1 598 . 9 1 1 A 68 68 GLU H H 90 9.083 8.532 0.551 1
1 599 . 9 1 1 A 68 68 GLU HA H 90 4.568 4.919 -0.351 1
1 603 . 9 1 1 A 68 68 GLU CA C 90 54.905 54.582 0.323 1
1 604 . 9 1 1 A 68 68 GLU CB C 90 33.372 33.905 -0.533 1
1 606 . 9 1 1 A 68 68 GLU N N 90 126.906 123.535 3.371 1
1 607 . 9 1 1 A 69 69 THR H H 91 8.233 8.682 -0.449 1
1 608 . 9 1 1 A 69 69 THR HA H 91 5.721 5.094 0.627 1
1 613 . 9 1 1 A 69 69 THR CA C 91 60.732 59.357 1.375 1
1 614 . 9 1 1 A 69 69 THR CB C 91 71.796 71.415 0.381 1
1 616 . 9 1 1 A 69 69 THR N N 91 115.413 112.627 2.786 1
1 617 . 9 1 1 A 70 70 LYS H H 92 9.232 8.579 0.653 1
1 618 . 9 1 1 A 70 70 LYS HA H 92 4.847 4.843 0.004 1
1 624 . 9 1 1 A 70 70 LYS CA C 92 54.766 54.951 -0.185 1
1 625 . 9 1 1 A 70 70 LYS CB C 92 36.982 35.979 1.003 1
1 629 . 9 1 1 A 70 70 LYS N N 92 125.378 122.312 3.066 1
1 630 . 9 1 1 A 71 71 ILE H H 93 8.751 9.070 -0.319 1
1 631 . 9 1 1 A 71 71 ILE HA H 93 5.101 4.694 0.407 1
1 641 . 9 1 1 A 71 71 ILE CA C 93 60.391 59.771 0.620 1
1 642 . 9 1 1 A 71 71 ILE CB C 93 40.534 40.055 0.479 1
1 646 . 9 1 1 A 71 71 ILE N N 93 124.290 128.010 -3.720 1
1 647 . 9 1 1 A 72 72 MET H H 94 9.003 8.891 0.112 1
1 648 . 9 1 1 A 72 72 MET HA H 94 4.775 5.139 -0.364 1
1 651 . 9 1 1 A 72 72 MET CA C 94 54.673 54.248 0.425 1
1 652 . 9 1 1 A 72 72 MET CB C 94 36.889 35.559 1.330 1
1 654 . 9 1 1 A 72 72 MET N N 94 127.651 128.711 -1.060 1
1 655 . 9 1 1 A 73 73 VAL H H 95 8.607 9.193 -0.586 1
1 656 . 9 1 1 A 73 73 VAL HA H 95 4.740 4.787 -0.047 1
1 661 . 9 1 1 A 73 73 VAL CA C 95 62.080 61.724 0.356 1
1 662 . 9 1 1 A 73 73 VAL CB C 95 33.333 33.133 0.200 1
1 664 . 9 1 1 A 73 73 VAL N N 95 125.436 126.595 -1.159 1
1 665 . 9 1 1 A 74 74 LEU H H 96 9.278 9.302 -0.024 1
1 666 . 9 1 1 A 74 74 LEU HA H 96 5.089 5.357 -0.268 1
1 668 . 9 1 1 A 74 74 LEU CA C 96 53.117 53.242 -0.125 1
1 669 . 9 1 1 A 74 74 LEU CB C 96 42.342 42.911 -0.569 1
1 670 . 9 1 1 A 74 74 LEU N N 96 127.760 128.117 -0.357 1
1 671 . 9 1 1 A 75 75 GLN H H 97 9.280 8.739 0.541 1
1 672 . 9 1 1 A 75 75 GLN HA H 97 5.018 4.988 0.030 1
1 675 . 9 1 1 A 75 75 GLN CA C 97 53.326 52.664 0.662 1
1 676 . 9 1 1 A 75 75 GLN CB C 97 29.255 31.872 -2.617 1
1 678 . 9 1 1 A 75 75 GLN N N 97 125.135 125.403 -0.268 1
1 679 . 9 1 1 A 76 76 PRO HA H 98 4.407 3.447 0.960 1
1 682 . 9 1 1 A 76 76 PRO CA C 98 64.216 62.769 1.447 1
1 683 . 9 1 1 A 76 76 PRO CB C 98 32.365 31.980 0.385 1
1 684 . 9 1 1 A 77 77 ALA H H 99 8.021 8.025 -0.004 1
1 685 . 9 1 1 A 77 77 ALA HA H 99 4.691 4.516 0.175 1
1 689 . 9 1 1 A 77 77 ALA CA C 99 50.927 51.241 -0.314 1
1 690 . 9 1 1 A 77 77 ALA CB C 99 20.003 19.301 0.702 1
1 691 . 9 1 1 A 77 77 ALA N N 99 126.607 124.324 2.283 1
1 692 . 9 1 1 A 78 78 GLY H H 100 8.185 8.024 0.161 1
1 693 . 9 1 1 A 78 78 GLY HA2 H 100 3.560 3.888 -0.328 1
1 694 . 9 1 1 A 78 78 GLY HA3 H 100 4.211 3.888 0.323 1
1 695 . 9 1 1 A 78 78 GLY CA C 100 45.692 46.058 -0.366 1
1 696 . 9 1 1 A 78 78 GLY N N 100 109.388 106.818 2.570 1
1 697 . 9 1 1 A 79 79 ALA H H 101 8.074 7.894 0.180 1
1 698 . 9 1 1 A 79 79 ALA HA H 101 4.624 4.431 0.193 1
1 702 . 9 1 1 A 79 79 ALA CA C 101 50.576 50.935 -0.359 1
1 703 . 9 1 1 A 79 79 ALA CB C 101 18.277 18.890 -0.613 1
1 704 . 9 1 1 A 79 79 ALA N N 101 126.934 127.603 -0.669 1
1 705 . 9 1 1 A 80 80 PRO HA H 102 4.425 4.308 0.117 1
1 707 . 9 1 1 A 80 80 PRO CA C 102 63.915 63.712 0.203 1
1 708 . 9 1 1 A 80 80 PRO CB C 102 32.093 31.974 0.119 1
1 711 . 9 1 1 A 81 81 GLY H H 103 8.227 9.030 -0.803 1
1 712 . 9 1 1 A 81 81 GLY HA2 H 103 2.428 4.116 -1.688 1
1 713 . 9 1 1 A 81 81 GLY HA3 H 103 3.673 4.185 -0.512 1
1 714 . 9 1 1 A 81 81 GLY CA C 103 44.671 45.490 -0.819 1
1 715 . 9 1 1 A 81 81 GLY N N 103 111.362 111.639 -0.277 1
1 716 . 9 1 1 A 82 82 HIS H H 104 7.610 8.254 -0.644 1
1 717 . 9 1 1 A 82 82 HIS HA H 104 5.169 4.842 0.327 1
1 721 . 9 1 1 A 82 82 HIS CA C 104 54.457 55.579 -1.122 1
1 722 . 9 1 1 A 82 82 HIS CB C 104 29.867 31.274 -1.407 1
1 724 . 9 1 1 A 82 82 HIS N N 104 117.393 119.307 -1.914 1
1 725 . 9 1 1 A 83 83 TYR H H 105 9.164 8.642 0.522 1
1 726 . 9 1 1 A 83 83 TYR HA H 105 5.465 5.100 0.365 1
1 730 . 9 1 1 A 83 83 TYR CA C 105 56.894 56.135 0.759 1
1 731 . 9 1 1 A 83 83 TYR CB C 105 44.686 43.131 1.555 1
1 733 . 9 1 1 A 83 83 TYR N N 105 122.473 121.468 1.005 1
1 734 . 9 1 1 A 84 84 THR H H 106 9.475 8.659 0.816 1
1 735 . 9 1 1 A 84 84 THR HA H 106 5.439 5.018 0.421 1
1 740 . 9 1 1 A 84 84 THR CA C 106 60.469 60.577 -0.108 1
1 741 . 9 1 1 A 84 84 THR CB C 106 72.344 71.814 0.530 1
1 743 . 9 1 1 A 84 84 THR N N 106 112.202 113.422 -1.220 1
1 744 . 9 1 1 A 85 85 TYR H H 107 8.723 7.892 0.831 1
1 745 . 9 1 1 A 85 85 TYR HA H 107 5.239 5.810 -0.571 1
1 749 . 9 1 1 A 85 85 TYR CA C 107 56.392 55.135 1.257 1
1 750 . 9 1 1 A 85 85 TYR CB C 107 41.653 42.152 -0.499 1
1 751 . 9 1 1 A 85 85 TYR N N 107 118.519 120.032 -1.513 1
1 752 . 9 1 1 A 86 86 SER H H 108 8.509 9.145 -0.636 1
1 753 . 9 1 1 A 86 86 SER HA H 108 4.564 5.183 -0.619 1
1 755 . 9 1 1 A 86 86 SER CA C 108 56.420 57.665 -1.245 1
1 756 . 9 1 1 A 86 86 SER CB C 108 63.939 65.188 -1.249 1
1 757 . 9 1 1 A 86 86 SER N N 108 120.384 117.774 2.610 1
1 758 . 9 1 1 A 87 87 SER H H 109 8.155 8.816 -0.661 1
1 759 . 9 1 1 A 87 87 SER HA H 109 4.519 4.716 -0.197 1
1 762 . 9 1 1 A 87 87 SER CA C 109 56.046 56.664 -0.618 1
1 763 . 9 1 1 A 87 87 SER CB C 109 63.145 63.051 0.094 1
1 764 . 9 1 1 A 87 87 SER N N 109 120.949 121.312 -0.363 1
1 765 . 9 1 1 A 88 88 PRO HA H 110 4.287 4.667 -0.380 1
1 767 . 9 1 1 A 88 88 PRO CA C 110 64.081 62.694 1.387 1
1 768 . 9 1 1 A 88 88 PRO CB C 110 32.049 29.294 2.755 1
1 771 . 9 1 1 A 89 89 HIS H H 111 8.535 8.554 -0.019 1
1 772 . 9 1 1 A 89 89 HIS HA H 111 4.421 4.845 -0.424 1
1 774 . 9 1 1 A 89 89 HIS CA C 111 56.683 57.149 -0.466 1
1 775 . 9 1 1 A 89 89 HIS CB C 111 27.859 30.886 -3.027 1
1 776 . 9 1 1 A 89 89 HIS N N 111 115.372 120.984 -5.612 1
1 777 . 9 1 1 A 90 90 SER H H 112 8.012 8.240 -0.228 1
1 778 . 9 1 1 A 90 90 SER HA H 112 4.422 4.421 0.001 1
1 781 . 9 1 1 A 90 90 SER CA C 112 58.586 59.013 -0.427 1
1 782 . 9 1 1 A 90 90 SER CB C 112 64.405 64.619 -0.214 1
1 783 . 9 1 1 A 90 90 SER N N 112 112.865 112.980 -0.115 1
1 784 . 9 1 1 A 91 91 GLY H H 113 8.239 8.226 0.013 1
1 785 . 9 1 1 A 91 91 GLY HA2 H 113 3.911 4.036 -0.125 1
1 786 . 9 1 1 A 91 91 GLY HA3 H 113 3.966 4.039 -0.073 1
1 787 . 9 1 1 A 91 91 GLY CA C 113 45.627 45.200 0.427 1
1 788 . 9 1 1 A 91 91 GLY N N 113 110.848 109.206 1.642 1
1 789 . 9 1 1 A 92 92 SER H H 114 7.757 8.006 -0.249 1
1 790 . 9 1 1 A 92 92 SER HA H 114 4.518 4.542 -0.024 1
1 792 . 9 1 1 A 92 92 SER CA C 114 58.132 58.361 -0.229 1
1 793 . 9 1 1 A 92 92 SER CB C 114 64.340 65.050 -0.710 1
1 794 . 9 1 1 A 92 92 SER N N 114 114.404 115.688 -1.284 1
1 795 . 9 1 1 A 93 93 ILE H H 115 8.456 8.833 -0.377 1
1 796 . 9 1 1 A 93 93 ILE HA H 115 4.412 4.700 -0.288 1
1 806 . 9 1 1 A 93 93 ILE CA C 115 60.573 60.294 0.279 1
1 807 . 9 1 1 A 93 93 ILE CB C 115 39.061 40.300 -1.239 1
1 811 . 9 1 1 A 93 93 ILE N N 115 124.873 123.075 1.798 1
1 812 . 9 1 1 A 94 94 HIS H H 116 8.994 8.478 0.516 1
1 813 . 9 1 1 A 94 94 HIS HA H 116 5.309 5.242 0.067 1
1 814 . 9 1 1 A 94 94 HIS CA C 116 53.919 54.325 -0.406 1
1 815 . 9 1 1 A 94 94 HIS CB C 116 27.883 32.704 -4.821 1
1 816 . 9 1 1 A 94 94 HIS N N 116 125.591 125.566 0.025 1
1 817 . 9 1 1 A 95 95 SER H H 117 9.153 8.469 0.684 1
1 818 . 9 1 1 A 95 95 SER HA H 117 5.101 4.816 0.285 1
1 820 . 9 1 1 A 95 95 SER CA C 117 57.114 57.315 -0.201 1
1 821 . 9 1 1 A 95 95 SER CB C 117 64.430 63.941 0.489 1
1 822 . 9 1 1 A 95 95 SER N N 117 117.598 118.829 -1.231 1
1 823 . 9 1 1 A 96 96 VAL H H 118 9.055 8.444 0.611 1
1 824 . 9 1 1 A 96 96 VAL HA H 118 5.009 4.918 0.091 1
1 828 . 9 1 1 A 96 96 VAL CA C 118 61.453 59.249 2.204 1
1 829 . 9 1 1 A 96 96 VAL CB C 118 35.098 34.859 0.239 1
1 831 . 9 1 1 A 96 96 VAL N N 118 126.585 127.083 -0.498 1
1 832 . 9 1 1 A 97 97 SER H H 119 9.032 8.180 0.852 1
1 833 . 9 1 1 A 97 97 SER HA H 119 5.543 4.902 0.641 1
1 835 . 9 1 1 A 97 97 SER CA C 119 56.290 56.165 0.125 1
1 836 . 9 1 1 A 97 97 SER CB C 119 65.799 64.600 1.199 1
1 837 . 9 1 1 A 97 97 SER N N 119 121.395 123.283 -1.888 1
1 838 . 9 1 1 A 98 98 VAL H H 120 8.402 8.942 -0.540 1
1 839 . 9 1 1 A 98 98 VAL HA H 120 4.027 4.007 0.020 1
1 847 . 9 1 1 A 98 98 VAL CA C 120 62.212 62.812 -0.600 1
1 848 . 9 1 1 A 98 98 VAL CB C 120 29.250 31.667 -2.417 1
1 851 . 9 1 1 A 98 98 VAL N N 120 124.771 127.261 -2.490 1
1 852 . 9 1 1 A 99 99 VAL H H 121 8.361 8.504 -0.143 1
1 853 . 9 1 1 A 99 99 VAL HA H 121 3.723 4.119 -0.396 1
1 858 . 9 1 1 A 99 99 VAL CA C 121 65.202 64.394 0.808 1
1 859 . 9 1 1 A 99 99 VAL CB C 121 32.718 32.673 0.045 1
1 861 . 9 1 1 A 99 99 VAL N N 121 128.844 128.136 0.708 1
1 862 . 9 1 1 A 100 100 GLU H H 122 7.188 7.809 -0.621 1
1 863 . 9 1 1 A 100 100 GLU HA H 122 4.726 4.841 -0.115 1
1 866 . 9 1 1 A 100 100 GLU CA C 122 54.951 55.151 -0.200 1
1 867 . 9 1 1 A 100 100 GLU CB C 122 34.111 33.709 0.402 1
1 868 . 9 1 1 A 100 100 GLU N N 122 113.832 118.812 -4.980 1
1 869 . 9 1 1 A 101 101 ALA H H 123 8.708 8.813 -0.105 1
1 870 . 9 1 1 A 101 101 ALA HA H 123 4.365 4.824 -0.459 1
1 874 . 9 1 1 A 101 101 ALA CA C 123 52.217 50.509 1.708 1
1 875 . 9 1 1 A 101 101 ALA CB C 123 21.568 20.869 0.699 1
1 876 . 9 1 1 A 101 101 ALA N N 123 124.349 124.074 0.275 1
1 877 . 9 1 1 A 105 105 GLU HA H 127 3.719 4.484 -0.765 1
1 878 . 9 1 1 A 105 105 GLU CA C 127 59.422 56.020 3.402 1
1 879 . 9 1 1 A 105 105 GLU CB C 127 35.689 31.023 4.666 1
1 880 . 9 1 1 A 106 106 TYR H H 128 9.359 7.279 2.080 1
1 881 . 9 1 1 A 106 106 TYR HA H 128 6.292 5.139 1.153 1
1 885 . 9 1 1 A 106 106 TYR CA C 128 58.184 56.575 1.609 1
1 886 . 9 1 1 A 106 106 TYR CB C 128 42.417 40.251 2.166 1
1 889 . 9 1 1 A 106 106 TYR N N 128 118.441 117.987 0.454 1
1 890 . 9 1 1 A 107 107 ALA H H 129 9.057 8.696 0.361 1
1 891 . 9 1 1 A 107 107 ALA HA H 129 4.724 5.363 -0.639 1
1 895 . 9 1 1 A 107 107 ALA CA C 129 51.666 50.140 1.526 1
1 896 . 9 1 1 A 107 107 ALA CB C 129 22.720 21.461 1.259 1
1 897 . 9 1 1 A 107 107 ALA N N 129 120.309 122.900 -2.591 1
1 898 . 9 1 1 A 108 108 LEU H H 130 8.889 8.476 0.413 1
1 899 . 9 1 1 A 108 108 LEU HA H 130 5.191 5.228 -0.037 1
1 908 . 9 1 1 A 108 108 LEU CA C 130 53.730 53.316 0.414 1
1 909 . 9 1 1 A 108 108 LEU CB C 130 43.792 45.014 -1.222 1
1 912 . 9 1 1 A 108 108 LEU N N 130 122.798 124.816 -2.018 1
1 913 . 9 1 1 A 109 109 LEU H H 131 9.168 9.149 0.019 1
1 914 . 9 1 1 A 109 109 LEU HA H 131 5.410 5.236 0.174 1
1 924 . 9 1 1 A 109 109 LEU CA C 131 54.387 53.085 1.302 1
1 925 . 9 1 1 A 109 109 LEU CB C 131 45.159 45.979 -0.820 1
1 929 . 9 1 1 A 109 109 LEU N N 131 126.359 123.179 3.180 1
1 930 . 9 1 1 A 110 110 PHE H H 132 9.150 8.023 1.127 1
1 931 . 9 1 1 A 110 110 PHE HA H 132 5.687 5.853 -0.166 1
1 935 . 9 1 1 A 110 110 PHE CA C 132 56.501 54.697 1.804 1
1 936 . 9 1 1 A 110 110 PHE CB C 132 43.567 42.508 1.059 1
1 937 . 9 1 1 A 110 110 PHE N N 132 120.892 117.887 3.005 1
1 938 . 9 1 1 A 111 111 SER H H 133 8.978 9.566 -0.588 1
1 939 . 9 1 1 A 111 111 SER HA H 133 5.702 5.120 0.582 1
1 941 . 9 1 1 A 111 111 SER CA C 133 55.789 56.568 -0.779 1
1 942 . 9 1 1 A 111 111 SER CB C 133 65.521 64.854 0.667 1
1 943 . 9 1 1 A 111 111 SER N N 133 125.184 118.207 6.977 1
1 944 . 9 1 1 A 112 112 ARG H H 134 8.581 8.687 -0.106 1
1 945 . 9 1 1 A 112 112 ARG HA H 134 5.151 5.363 -0.212 1
1 950 . 9 1 1 A 112 112 ARG CA C 134 53.502 54.458 -0.956 1
1 951 . 9 1 1 A 112 112 ARG CB C 134 34.324 33.783 0.541 1
1 954 . 9 1 1 A 112 112 ARG N N 134 120.408 124.025 -3.617 1
1 955 . 9 1 1 A 113 113 GLY H H 135 8.195 8.684 -0.489 1
1 956 . 9 1 1 A 113 113 GLY HA2 H 135 4.108 4.392 -0.284 1
1 957 . 9 1 1 A 113 113 GLY HA3 H 135 4.342 4.405 -0.063 1
1 958 . 9 1 1 A 113 113 GLY CA C 135 45.735 46.022 -0.287 1
1 959 . 9 1 1 A 113 113 GLY N N 135 108.687 106.914 1.773 1
1 960 . 9 1 1 A 114 114 THR H H 136 8.437 8.476 -0.039 1
1 961 . 9 1 1 A 114 114 THR HA H 136 4.686 4.452 0.234 1
1 966 . 9 1 1 A 114 114 THR CA C 136 61.317 62.285 -0.968 1
1 967 . 9 1 1 A 114 114 THR CB C 136 70.640 70.323 0.317 1
1 969 . 9 1 1 A 114 114 THR N N 136 112.383 112.601 -0.218 1
1 970 . 9 1 1 A 115 115 LYS H H 137 8.042 8.017 0.025 1
1 971 . 9 1 1 A 115 115 LYS HA H 137 4.457 3.838 0.619 1
1 976 . 9 1 1 A 115 115 LYS CA C 137 56.861 57.150 -0.289 1
1 977 . 9 1 1 A 115 115 LYS CB C 137 34.523 31.645 2.878 1
1 981 . 9 1 1 A 115 115 LYS N N 137 121.031 120.643 0.388 1
1 982 . 9 1 1 A 116 116 GLY H H 138 8.574 8.599 -0.025 1
1 983 . 9 1 1 A 116 116 GLY HA2 H 138 3.894 3.791 0.103 1
1 984 . 9 1 1 A 116 116 GLY HA3 H 138 4.566 3.808 0.758 1
1 985 . 9 1 1 A 116 116 GLY CA C 138 44.217 46.339 -2.122 1
1 986 . 9 1 1 A 116 116 GLY N N 138 112.843 115.801 -2.958 1
1 987 . 9 1 1 A 117 117 PRO HA H 139 4.452 4.626 -0.174 1
1 992 . 9 1 1 A 117 117 PRO CA C 139 63.920 62.749 1.171 1
1 993 . 9 1 1 A 117 117 PRO CB C 139 31.786 29.878 1.908 1
1 996 . 9 1 1 A 118 118 GLY H H 140 8.835 8.133 0.702 1
1 997 . 9 1 1 A 118 118 GLY HA2 H 140 4.030 3.912 0.118 1
1 998 . 9 1 1 A 118 118 GLY HA3 H 140 4.187 3.917 0.270 1
1 999 . 9 1 1 A 118 118 GLY CA C 140 45.949 46.672 -0.723 1
1 1000 . 9 1 1 A 118 118 GLY N N 140 110.324 109.939 0.385 1
1 1001 . 9 1 1 A 119 119 GLN H H 141 8.062 8.619 -0.557 1
1 1002 . 9 1 1 A 119 119 GLN HA H 141 4.067 4.452 -0.385 1
1 1005 . 9 1 1 A 119 119 GLN CA C 141 57.874 55.345 2.529 1
1 1006 . 9 1 1 A 119 119 GLN CB C 141 28.638 28.831 -0.193 1
1 1008 . 9 1 1 A 119 119 GLN N N 141 119.674 117.891 1.783 1
1 1009 . 9 1 1 A 120 120 ASP H H 142 8.554 7.814 0.740 1
1 1010 . 9 1 1 A 120 120 ASP HA H 142 4.606 4.399 0.207 1
1 1012 . 9 1 1 A 120 120 ASP CA C 142 54.348 54.899 -0.551 1
1 1013 . 9 1 1 A 120 120 ASP CB C 142 40.529 39.263 1.266 1
1 1014 . 9 1 1 A 120 120 ASP N N 142 117.596 119.416 -1.820 1
1 1015 . 9 1 1 A 121 121 PHE H H 143 7.890 8.297 -0.407 1
1 1016 . 9 1 1 A 121 121 PHE HA H 143 4.477 4.550 -0.073 1
1 1021 . 9 1 1 A 121 121 PHE CA C 143 59.232 58.802 0.430 1
1 1022 . 9 1 1 A 121 121 PHE CB C 143 39.898 39.561 0.337 1
1 1025 . 9 1 1 A 121 121 PHE N N 143 122.226 125.829 -3.603 1
1 1026 . 9 1 1 A 122 122 ARG H H 144 7.956 8.773 -0.817 1
1 1027 . 9 1 1 A 122 122 ARG HA H 144 4.664 4.796 -0.132 1
1 1032 . 9 1 1 A 122 122 ARG CA C 144 54.337 54.659 -0.322 1
1 1033 . 9 1 1 A 122 122 ARG CB C 144 34.705 32.066 2.639 1
1 1036 . 9 1 1 A 122 122 ARG N N 144 126.876 126.148 0.728 1
1 1037 . 9 1 1 A 123 123 MET H H 145 8.444 8.884 -0.440 1
1 1038 . 9 1 1 A 123 123 MET HA H 145 5.157 4.936 0.221 1
1 1042 . 9 1 1 A 123 123 MET CA C 145 54.904 53.842 1.062 1
1 1043 . 9 1 1 A 123 123 MET CB C 145 37.618 35.273 2.345 1
1 1045 . 9 1 1 A 123 123 MET N N 145 121.767 123.886 -2.119 1
1 1046 . 9 1 1 A 124 124 ALA H H 146 9.809 8.655 1.154 1
1 1047 . 9 1 1 A 124 124 ALA HA H 146 5.801 5.429 0.372 1
1 1051 . 9 1 1 A 124 124 ALA CA C 146 50.289 50.582 -0.293 1
1 1052 . 9 1 1 A 124 124 ALA CB C 146 22.630 21.966 0.664 1
1 1053 . 9 1 1 A 124 124 ALA N N 146 132.634 126.979 5.655 1
1 1054 . 9 1 1 A 125 125 THR H H 147 9.169 9.439 -0.270 1
1 1055 . 9 1 1 A 125 125 THR HA H 147 4.974 5.229 -0.255 1
1 1060 . 9 1 1 A 125 125 THR CA C 147 62.270 61.445 0.825 1
1 1061 . 9 1 1 A 125 125 THR CB C 147 71.431 70.490 0.941 1
1 1063 . 9 1 1 A 125 125 THR N N 147 118.001 116.989 1.012 1
1 1064 . 9 1 1 A 126 126 LEU H H 148 8.287 8.597 -0.310 1
1 1065 . 9 1 1 A 126 126 LEU HA H 148 4.994 4.644 0.350 1
1 1072 . 9 1 1 A 126 126 LEU CA C 148 52.917 53.280 -0.363 1
1 1073 . 9 1 1 A 126 126 LEU CB C 148 42.487 42.884 -0.397 1
1 1076 . 9 1 1 A 126 126 LEU N N 148 128.462 128.315 0.147 1
1 1077 . 9 1 1 A 127 127 TYR H H 149 9.352 8.244 1.108 1
1 1078 . 9 1 1 A 127 127 TYR HA H 149 5.745 4.730 1.015 1
1 1082 . 9 1 1 A 127 127 TYR CA C 149 55.277 59.193 -3.916 1
1 1083 . 9 1 1 A 127 127 TYR CB C 149 40.105 39.269 0.836 1
1 1085 . 9 1 1 A 127 127 TYR N N 149 127.854 127.036 0.818 1
1 1086 . 9 1 1 A 128 128 SER H H 150 9.808 8.430 1.378 1
1 1087 . 9 1 1 A 128 128 SER HA H 150 6.032 5.364 0.668 1
1 1090 . 9 1 1 A 128 128 SER CA C 150 55.349 56.240 -0.891 1
1 1091 . 9 1 1 A 128 128 SER CB C 150 66.028 65.089 0.939 1
1 1092 . 9 1 1 A 128 128 SER N N 150 113.673 117.025 -3.352 1
1 1093 . 9 1 1 A 129 129 ARG H H 151 8.667 9.036 -0.369 1
1 1094 . 9 1 1 A 129 129 ARG HA H 151 4.184 4.188 -0.004 1
1 1096 . 9 1 1 A 129 129 ARG CA C 151 56.959 58.711 -1.752 1
1 1097 . 9 1 1 A 129 129 ARG CB C 151 31.553 30.477 1.076 1
1 1098 . 9 1 1 A 129 129 ARG N N 151 126.102 124.263 1.839 1
1 1099 . 9 1 1 A 130 130 THR H H 152 8.244 7.760 0.484 1
1 1100 . 9 1 1 A 130 130 THR HA H 152 4.879 5.131 -0.252 1
1 1105 . 9 1 1 A 130 130 THR CA C 152 59.501 59.504 -0.003 1
1 1106 . 9 1 1 A 130 130 THR CB C 152 71.244 72.650 -1.406 1
1 1108 . 9 1 1 A 130 130 THR N N 152 108.224 108.342 -0.118 1
1 1109 . 9 1 1 A 131 131 GLN H H 153 8.765 8.369 0.396 1
1 1110 . 9 1 1 A 131 131 GLN HA H 153 3.664 4.072 -0.408 1
1 1117 . 9 1 1 A 131 131 GLN CA C 153 57.614 58.155 -0.541 1
1 1118 . 9 1 1 A 131 131 GLN CB C 153 28.738 28.057 0.681 1
1 1120 . 9 1 1 A 131 131 GLN N N 153 119.385 121.644 -2.259 1
1 1122 . 9 1 1 A 132 132 THR H H 154 7.242 7.804 -0.562 1
1 1123 . 9 1 1 A 132 132 THR HA H 154 4.309 4.332 -0.023 1
1 1128 . 9 1 1 A 132 132 THR CA C 154 60.406 62.820 -2.414 1
1 1129 . 9 1 1 A 132 132 THR CB C 154 70.006 68.170 1.836 1
1 1131 . 9 1 1 A 132 132 THR N N 154 108.689 115.898 -7.209 1
1 1132 . 9 1 1 A 133 133 LEU H H 155 8.608 8.817 -0.209 1
1 1133 . 9 1 1 A 133 133 LEU HA H 155 4.631 5.116 -0.485 1
1 1143 . 9 1 1 A 133 133 LEU CA C 155 53.415 53.393 0.022 1
1 1144 . 9 1 1 A 133 133 LEU CB C 155 44.570 43.966 0.604 1
1 1148 . 9 1 1 A 133 133 LEU N N 155 124.560 124.481 0.079 1
1 1149 . 9 1 1 A 134 134 LYS H H 156 8.157 8.639 -0.482 1
1 1150 . 9 1 1 A 134 134 LYS HA H 156 4.374 4.565 -0.191 1
1 1156 . 9 1 1 A 134 134 LYS CA C 156 56.031 55.091 0.940 1
1 1157 . 9 1 1 A 134 134 LYS CB C 156 33.505 34.303 -0.798 1
1 1161 . 9 1 1 A 134 134 LYS N N 156 123.852 124.966 -1.114 1
1 1162 . 9 1 1 A 135 135 ASP H H 157 8.974 8.939 0.035 1
1 1163 . 9 1 1 A 135 135 ASP HA H 157 4.143 4.012 0.131 1
1 1165 . 9 1 1 A 135 135 ASP CA C 157 58.252 57.129 1.123 1
1 1166 . 9 1 1 A 135 135 ASP CB C 157 39.857 40.310 -0.453 1
1 1167 . 9 1 1 A 135 135 ASP N N 157 124.197 126.258 -2.061 1
1 1168 . 9 1 1 A 136 136 GLU H H 158 9.287 8.008 1.279 1
1 1169 . 9 1 1 A 136 136 GLU HA H 158 4.141 4.071 0.070 1
1 1173 . 9 1 1 A 136 136 GLU CA C 158 59.348 58.728 0.620 1
1 1174 . 9 1 1 A 136 136 GLU CB C 158 28.638 30.197 -1.559 1
1 1176 . 9 1 1 A 136 136 GLU N N 158 117.885 118.664 -0.779 1
1 1177 . 9 1 1 A 137 137 LEU H H 159 7.246 8.010 -0.764 1
1 1178 . 9 1 1 A 137 137 LEU HA H 159 4.053 4.101 -0.048 1
1 1187 . 9 1 1 A 137 137 LEU CA C 159 56.663 56.830 -0.167 1
1 1188 . 9 1 1 A 137 137 LEU CB C 159 41.666 41.629 0.037 1
1 1192 . 9 1 1 A 137 137 LEU N N 159 119.393 121.412 -2.019 1
1 1193 . 9 1 1 A 138 138 LYS H H 160 7.383 10.042 -2.659 1
1 1194 . 9 1 1 A 138 138 LYS HA H 160 3.997 3.799 0.198 1
1 1200 . 9 1 1 A 138 138 LYS CA C 160 60.416 58.754 1.662 1
1 1201 . 9 1 1 A 138 138 LYS CB C 160 31.478 31.536 -0.058 1
1 1205 . 9 1 1 A 138 138 LYS N N 160 119.612 121.550 -1.938 1
1 1206 . 9 1 1 A 139 139 GLU H H 161 7.978 8.424 -0.446 1
1 1207 . 9 1 1 A 139 139 GLU HA H 161 4.176 4.009 0.167 1
1 1211 . 9 1 1 A 139 139 GLU CA C 161 59.139 59.331 -0.192 1
1 1212 . 9 1 1 A 139 139 GLU CB C 161 28.417 29.192 -0.775 1
1 1214 . 9 1 1 A 139 139 GLU N N 161 119.510 119.202 0.308 1
1 1215 . 9 1 1 A 140 140 LYS H H 162 7.860 7.833 0.027 1
1 1216 . 9 1 1 A 140 140 LYS HA H 162 4.089 4.089 0.000 1
1 1225 . 9 1 1 A 140 140 LYS CA C 162 59.541 58.902 0.639 1
1 1226 . 9 1 1 A 140 140 LYS CB C 162 32.078 32.074 0.004 1
1 1230 . 9 1 1 A 140 140 LYS N N 162 120.614 119.744 0.870 1
1 1231 . 9 1 1 A 141 141 PHE H H 163 8.548 7.993 0.555 1
1 1232 . 9 1 1 A 141 141 PHE HA H 163 4.444 4.264 0.180 1
1 1235 . 9 1 1 A 141 141 PHE CA C 163 61.551 60.627 0.924 1
1 1236 . 9 1 1 A 141 141 PHE CB C 163 39.975 39.411 0.564 1
1 1237 . 9 1 1 A 141 141 PHE N N 163 119.075 121.027 -1.952 1
1 1238 . 9 1 1 A 142 142 THR H H 164 8.791 7.714 1.077 1
1 1239 . 9 1 1 A 142 142 THR HA H 164 3.721 4.000 -0.279 1
1 1244 . 9 1 1 A 142 142 THR CA C 164 67.495 65.763 1.732 1
1 1245 . 9 1 1 A 142 142 THR CB C 164 68.330 68.322 0.008 1
1 1247 . 9 1 1 A 142 142 THR N N 164 120.224 113.090 7.134 1
1 1248 . 9 1 1 A 143 143 THR H H 165 8.536 8.396 0.140 1
1 1249 . 9 1 1 A 143 143 THR HA H 165 3.764 3.906 -0.142 1
1 1254 . 9 1 1 A 143 143 THR CA C 165 66.989 66.841 0.148 1
1 1255 . 9 1 1 A 143 143 THR CB C 165 68.641 68.488 0.153 1
1 1257 . 9 1 1 A 143 143 THR N N 165 118.456 117.415 1.041 1
1 1258 . 9 1 1 A 144 144 PHE H H 166 8.264 7.991 0.273 1
1 1259 . 9 1 1 A 144 144 PHE HA H 166 4.207 4.071 0.136 1
1 1264 . 9 1 1 A 144 144 PHE CA C 166 61.233 61.903 -0.670 1
1 1265 . 9 1 1 A 144 144 PHE CB C 166 39.772 38.896 0.876 1
1 1266 . 9 1 1 A 144 144 PHE N N 166 122.676 122.214 0.462 1
1 1267 . 9 1 1 A 145 145 SER H H 167 8.077 8.069 0.008 1
1 1268 . 9 1 1 A 145 145 SER HA H 167 3.283 3.697 -0.414 1
1 1270 . 9 1 1 A 145 145 SER CA C 167 64.031 62.394 1.637 1
1 1271 . 9 1 1 A 145 145 SER CB C 167 62.339 62.535 -0.196 1
1 1272 . 9 1 1 A 145 145 SER N N 167 115.714 116.445 -0.731 1
1 1273 . 9 1 1 A 146 146 LYS H H 168 8.000 7.440 0.560 1
1 1274 . 9 1 1 A 146 146 LYS HA H 168 4.434 4.022 0.412 1
1 1278 . 9 1 1 A 146 146 LYS CA C 168 58.915 58.509 0.406 1
1 1279 . 9 1 1 A 146 146 LYS CB C 168 32.022 32.168 -0.146 1
1 1283 . 9 1 1 A 146 146 LYS N N 168 121.529 121.692 -0.163 1
1 1284 . 9 1 1 A 147 147 ALA H H 169 7.726 7.433 0.293 1
1 1285 . 9 1 1 A 147 147 ALA HA H 169 4.079 4.006 0.073 1
1 1289 . 9 1 1 A 147 147 ALA CA C 169 54.255 54.495 -0.240 1
1 1290 . 9 1 1 A 147 147 ALA CB C 169 17.264 18.088 -0.824 1
1 1291 . 9 1 1 A 147 147 ALA N N 169 123.249 121.729 1.520 1
1 1292 . 9 1 1 A 148 148 GLN H H 170 7.058 7.393 -0.335 1
1 1293 . 9 1 1 A 148 148 GLN HA H 170 4.139 4.111 0.028 1
1 1299 . 9 1 1 A 148 148 GLN CA C 170 53.091 55.775 -2.684 1
1 1300 . 9 1 1 A 148 148 GLN CB C 170 26.931 28.763 -1.832 1
1 1302 . 9 1 1 A 148 148 GLN N N 170 113.952 114.930 -0.978 1
1 1304 . 9 1 1 A 149 149 GLY H H 171 7.651 8.177 -0.526 1
1 1305 . 9 1 1 A 149 149 GLY HA2 H 171 3.650 3.900 -0.250 1
1 1306 . 9 1 1 A 149 149 GLY HA3 H 171 4.076 3.903 0.173 1
1 1307 . 9 1 1 A 149 149 GLY CA C 171 45.335 46.360 -1.025 1
1 1308 . 9 1 1 A 149 149 GLY N N 171 106.210 107.296 -1.086 1
1 1309 . 9 1 1 A 150 150 LEU H H 172 7.395 7.387 0.008 1
1 1310 . 9 1 1 A 150 150 LEU HA H 172 4.543 4.700 -0.157 1
1 1319 . 9 1 1 A 150 150 LEU CA C 172 53.499 53.204 0.295 1
1 1320 . 9 1 1 A 150 150 LEU CB C 172 40.838 45.864 -5.026 1
1 1324 . 9 1 1 A 150 150 LEU N N 172 120.964 120.497 0.467 1
1 1325 . 9 1 1 A 151 151 THR H H 173 8.270 8.696 -0.426 1
1 1326 . 9 1 1 A 151 151 THR HA H 173 4.515 4.641 -0.126 1
1 1331 . 9 1 1 A 151 151 THR CA C 173 60.236 61.185 -0.949 1
1 1332 . 9 1 1 A 151 151 THR CB C 173 71.307 70.409 0.898 1
1 1334 . 9 1 1 A 151 151 THR N N 173 110.762 117.175 -6.413 1
1 1335 . 9 1 1 A 152 152 GLU H H 174 9.041 8.975 0.066 1
1 1336 . 9 1 1 A 152 152 GLU HA H 174 3.908 3.968 -0.060 1
1 1340 . 9 1 1 A 152 152 GLU CA C 174 60.190 60.004 0.186 1
1 1341 . 9 1 1 A 152 152 GLU CB C 174 28.823 29.377 -0.554 1
1 1343 . 9 1 1 A 152 152 GLU N N 174 118.629 123.234 -4.605 1
1 1344 . 9 1 1 A 153 153 GLU H H 175 8.200 8.109 0.091 1
1 1345 . 9 1 1 A 153 153 GLU HA H 175 4.222 4.044 0.178 1
1 1349 . 9 1 1 A 153 153 GLU CA C 175 58.093 58.668 -0.575 1
1 1350 . 9 1 1 A 153 153 GLU CB C 175 28.697 29.500 -0.803 1
1 1352 . 9 1 1 A 153 153 GLU N N 175 115.885 119.442 -3.557 1
1 1353 . 9 1 1 A 154 154 ASP H H 176 7.833 7.771 0.062 1
1 1354 . 9 1 1 A 154 154 ASP HA H 176 4.873 4.692 0.181 1
1 1357 . 9 1 1 A 154 154 ASP CA C 176 53.936 55.852 -1.916 1
1 1358 . 9 1 1 A 154 154 ASP CB C 176 41.470 41.625 -0.155 1
1 1359 . 9 1 1 A 154 154 ASP N N 176 118.196 118.196 0.000 1
1 1360 . 9 1 1 A 155 155 ILE H H 177 7.007 7.322 -0.315 1
1 1361 . 9 1 1 A 155 155 ILE HA H 177 4.367 4.316 0.051 1
1 1369 . 9 1 1 A 155 155 ILE CA C 177 61.493 60.272 1.221 1
1 1370 . 9 1 1 A 155 155 ILE CB C 177 40.374 39.542 0.832 1
1 1374 . 9 1 1 A 155 155 ILE N N 177 117.852 119.260 -1.408 1
1 1375 . 9 1 1 A 156 156 VAL H H 178 9.203 8.980 0.223 1
1 1376 . 9 1 1 A 156 156 VAL HA H 178 4.544 4.460 0.084 1
1 1381 . 9 1 1 A 156 156 VAL CA C 178 60.448 59.806 0.642 1
1 1382 . 9 1 1 A 156 156 VAL CB C 178 36.233 35.209 1.024 1
1 1384 . 9 1 1 A 156 156 VAL N N 178 126.166 124.461 1.705 1
1 1385 . 9 1 1 A 157 157 PHE H H 179 8.718 8.535 0.183 1
1 1386 . 9 1 1 A 157 157 PHE HA H 179 5.010 5.068 -0.058 1
1 1391 . 9 1 1 A 157 157 PHE CA C 179 58.363 56.976 1.387 1
1 1392 . 9 1 1 A 157 157 PHE CB C 179 38.344 39.634 -1.290 1
1 1394 . 9 1 1 A 157 157 PHE N N 179 124.905 128.189 -3.284 1
1 1395 . 9 1 1 A 158 158 LEU H H 180 7.459 8.698 -1.239 1
1 1396 . 9 1 1 A 158 158 LEU HA H 180 4.402 4.543 -0.141 1
1 1397 . 9 1 1 A 158 158 LEU CA C 180 53.074 53.705 -0.631 1
1 1398 . 9 1 1 A 158 158 LEU CB C 180 41.738 42.268 -0.530 1
1 1399 . 9 1 1 A 158 158 LEU N N 180 125.466 126.099 -0.633 1
1 1400 . 9 1 1 A 159 159 PRO HA H 181 4.771 4.627 0.144 1
1 1401 . 9 1 1 A 159 159 PRO CA C 181 61.916 62.353 -0.437 1
1 1402 . 9 1 1 A 159 159 PRO CB C 181 32.363 33.120 -0.757 1
1 1405 . 9 1 1 A 161 161 PRO HA H 183 4.666 4.784 -0.118 1
1 1409 . 9 1 1 A 161 161 PRO CA C 183 62.292 62.384 -0.092 1
1 1410 . 9 1 1 A 161 161 PRO CB C 183 33.337 33.354 -0.017 1
1 1412 . 9 1 1 A 162 162 ASP H H 184 8.449 8.438 0.011 1
1 1413 . 9 1 1 A 162 162 ASP HA H 184 4.467 4.860 -0.393 1
1 1416 . 9 1 1 A 162 162 ASP CA C 184 54.064 52.922 1.142 1
1 1417 . 9 1 1 A 162 162 ASP CB C 184 39.919 41.605 -1.686 1
1 1418 . 9 1 1 A 162 162 ASP N N 184 117.032 116.303 0.729 1
1 1419 . 9 1 1 A 163 163 LYS H H 185 7.195 8.069 -0.874 1
1 1420 . 9 1 1 A 163 163 LYS HA H 185 4.588 4.096 0.492 1
1 1426 . 9 1 1 A 163 163 LYS CA C 185 55.499 57.097 -1.598 1
1 1427 . 9 1 1 A 163 163 LYS CB C 185 35.558 31.115 4.443 1
1 1431 . 9 1 1 A 163 163 LYS N N 185 115.300 113.815 1.485 1
1 1432 . 9 1 1 A 164 164 CYS H H 186 8.427 8.638 -0.211 1
1 1433 . 9 1 1 A 164 164 CYS HA H 186 4.313 4.693 -0.380 1
1 1436 . 9 1 1 A 164 164 CYS CA C 186 57.607 55.205 2.402 1
1 1437 . 9 1 1 A 164 164 CYS CB C 186 35.042 44.077 -9.035 1
1 1438 . 9 1 1 A 164 164 CYS N N 186 107.133 122.288 -15.155 1
1 1439 . 9 1 1 A 165 165 ILE H H 187 7.881 8.323 -0.442 1
1 1440 . 9 1 1 A 165 165 ILE HA H 187 4.549 4.357 0.192 1
1 1450 . 9 1 1 A 165 165 ILE CA C 187 61.529 60.311 1.218 1
1 1451 . 9 1 1 A 165 165 ILE CB C 187 39.748 37.876 1.872 1
1 1455 . 9 1 1 A 165 165 ILE N N 187 113.570 121.411 -7.841 1
1 1456 . 9 1 1 A 166 166 GLN H H 188 8.308 7.551 0.757 1
1 1457 . 9 1 1 A 166 166 GLN HA H 188 4.303 4.261 0.042 1
1 1462 . 9 1 1 A 166 166 GLN CA C 188 56.928 56.027 0.901 1
1 1463 . 9 1 1 A 166 166 GLN CB C 188 28.637 29.225 -0.588 1
1 1465 . 9 1 1 A 166 166 GLN N N 188 122.915 123.471 -0.556 1
1 3 . 10 1 1 A 2 2 SER H H 24 8.695 7.956 0.739 1
1 4 . 10 1 1 A 2 2 SER HA H 24 4.531 4.293 0.238 1
1 6 . 10 1 1 A 2 2 SER CA C 24 58.296 59.457 -1.161 1
1 7 . 10 1 1 A 2 2 SER CB C 24 63.897 62.157 1.740 1
1 8 . 10 1 1 A 2 2 SER N N 24 115.751 111.158 4.593 1
1 9 . 10 1 1 A 3 3 GLN H H 25 8.618 8.295 0.323 1
1 10 . 10 1 1 A 3 3 GLN HA H 25 4.367 5.160 -0.793 1
1 14 . 10 1 1 A 3 3 GLN CA C 25 56.059 54.504 1.555 1
1 15 . 10 1 1 A 3 3 GLN CB C 25 29.248 32.634 -3.386 1
1 17 . 10 1 1 A 3 3 GLN N N 25 122.346 121.918 0.428 1
1 18 . 10 1 1 A 4 4 GLY H H 26 8.431 8.442 -0.011 1
1 19 . 10 1 1 A 4 4 GLY HA2 H 26 3.904 4.070 -0.166 1
1 20 . 10 1 1 A 4 4 GLY CA C 26 45.171 45.712 -0.541 1
1 21 . 10 1 1 A 4 4 GLY N N 26 109.885 107.051 2.834 1
1 22 . 10 1 1 A 5 5 HIS H H 27 8.342 8.308 0.034 1
1 23 . 10 1 1 A 5 5 HIS HA H 27 4.750 4.751 -0.001 1
1 27 . 10 1 1 A 5 5 HIS CA C 27 54.946 55.707 -0.761 1
1 28 . 10 1 1 A 5 5 HIS CB C 27 29.344 31.483 -2.139 1
1 30 . 10 1 1 A 5 5 HIS N N 27 117.765 119.043 -1.278 1
1 31 . 10 1 1 A 6 6 ASP H H 28 8.518 7.699 0.819 1
1 32 . 10 1 1 A 6 6 ASP HA H 28 4.735 4.372 0.363 1
1 35 . 10 1 1 A 6 6 ASP CA C 28 54.282 54.892 -0.610 1
1 36 . 10 1 1 A 6 6 ASP CB C 28 41.098 39.595 1.503 1
1 37 . 10 1 1 A 6 6 ASP N N 28 121.910 115.598 6.312 1
1 38 . 10 1 1 A 7 7 THR H H 29 8.250 8.616 -0.366 1
1 39 . 10 1 1 A 7 7 THR HA H 29 4.343 4.592 -0.249 1
1 44 . 10 1 1 A 7 7 THR CA C 29 62.124 63.512 -1.388 1
1 45 . 10 1 1 A 7 7 THR CB C 29 69.861 71.600 -1.739 1
1 47 . 10 1 1 A 7 7 THR N N 29 116.925 117.260 -0.335 1
1 48 . 10 1 1 A 8 8 VAL H H 30 7.798 7.817 -0.019 1
1 49 . 10 1 1 A 8 8 VAL HA H 30 4.369 4.834 -0.465 1
1 54 . 10 1 1 A 8 8 VAL CA C 30 60.171 60.278 -0.107 1
1 55 . 10 1 1 A 8 8 VAL CB C 30 34.758 35.885 -1.127 1
1 57 . 10 1 1 A 8 8 VAL N N 30 119.837 117.966 1.871 1
1 58 . 10 1 1 A 9 9 GLN H H 31 8.472 8.751 -0.279 1
1 59 . 10 1 1 A 9 9 GLN HA H 31 4.383 5.003 -0.620 1
1 63 . 10 1 1 A 9 9 GLN CA C 31 53.204 53.585 -0.381 1
1 64 . 10 1 1 A 9 9 GLN CB C 31 29.785 30.041 -0.256 1
1 66 . 10 1 1 A 9 9 GLN N N 31 127.192 123.419 3.773 1
1 68 . 10 1 1 A 10 10 PRO HA H 32 4.426 4.531 -0.105 1
1 73 . 10 1 1 A 10 10 PRO CA C 32 63.431 63.327 0.104 1
1 74 . 10 1 1 A 10 10 PRO CB C 32 32.297 32.259 0.038 1
1 77 . 10 1 1 A 11 11 ASN H H 33 8.972 8.599 0.373 1
1 78 . 10 1 1 A 11 11 ASN HA H 33 4.539 5.457 -0.918 1
1 83 . 10 1 1 A 11 11 ASN CA C 33 53.563 52.674 0.889 1
1 84 . 10 1 1 A 11 11 ASN CB C 33 37.923 40.311 -2.388 1
1 85 . 10 1 1 A 11 11 ASN N N 33 119.013 116.228 2.785 1
1 87 . 10 1 1 A 12 12 PHE H H 34 7.996 9.276 -1.280 1
1 88 . 10 1 1 A 12 12 PHE HA H 34 4.186 5.065 -0.879 1
1 91 . 10 1 1 A 12 12 PHE CA C 34 59.402 56.849 2.553 1
1 92 . 10 1 1 A 12 12 PHE CB C 34 39.516 41.041 -1.525 1
1 93 . 10 1 1 A 12 12 PHE N N 34 119.073 125.931 -6.858 1
1 94 . 10 1 1 A 13 13 GLN H H 35 7.402 8.614 -1.212 1
1 95 . 10 1 1 A 13 13 GLN HA H 35 4.303 4.518 -0.215 1
1 101 . 10 1 1 A 13 13 GLN CA C 35 53.093 53.984 -0.891 1
1 102 . 10 1 1 A 13 13 GLN CB C 35 29.598 31.096 -1.498 1
1 104 . 10 1 1 A 13 13 GLN N N 35 128.226 126.407 1.819 1
1 106 . 10 1 1 A 14 14 GLN H H 36 8.736 8.854 -0.118 1
1 107 . 10 1 1 A 14 14 GLN HA H 36 3.503 3.728 -0.225 1
1 110 . 10 1 1 A 14 14 GLN CA C 36 60.089 59.153 0.936 1
1 111 . 10 1 1 A 14 14 GLN CB C 36 29.596 28.415 1.181 1
1 113 . 10 1 1 A 14 14 GLN N N 36 124.702 121.823 2.879 1
1 114 . 10 1 1 A 15 15 ASP H H 37 8.628 8.351 0.277 1
1 115 . 10 1 1 A 15 15 ASP HA H 37 4.229 4.392 -0.163 1
1 118 . 10 1 1 A 15 15 ASP CA C 37 56.326 57.439 -1.113 1
1 119 . 10 1 1 A 15 15 ASP CB C 37 39.182 41.395 -2.213 1
1 120 . 10 1 1 A 15 15 ASP N N 37 114.027 119.061 -5.034 1
1 121 . 10 1 1 A 16 16 LYS H H 38 6.859 7.838 -0.979 1
1 122 . 10 1 1 A 16 16 LYS HA H 38 4.060 4.280 -0.220 1
1 124 . 10 1 1 A 16 16 LYS CA C 38 56.445 58.614 -2.169 1
1 125 . 10 1 1 A 16 16 LYS CB C 38 31.077 32.326 -1.249 1
1 129 . 10 1 1 A 16 16 LYS N N 38 116.638 119.189 -2.551 1
1 130 . 10 1 1 A 17 17 PHE H H 39 7.454 7.768 -0.314 1
1 131 . 10 1 1 A 17 17 PHE HA H 39 4.822 4.264 0.558 1
1 135 . 10 1 1 A 17 17 PHE CA C 39 57.301 60.855 -3.554 1
1 136 . 10 1 1 A 17 17 PHE CB C 39 42.087 39.656 2.431 1
1 137 . 10 1 1 A 17 17 PHE N N 39 119.221 121.392 -2.171 1
1 138 . 10 1 1 A 18 18 LEU H H 40 6.674 7.679 -1.005 1
1 139 . 10 1 1 A 18 18 LEU HA H 40 3.911 5.022 -1.111 1
1 149 . 10 1 1 A 18 18 LEU CA C 40 54.860 53.892 0.968 1
1 150 . 10 1 1 A 18 18 LEU CB C 40 42.421 44.443 -2.022 1
1 154 . 10 1 1 A 18 18 LEU N N 40 112.003 115.554 -3.551 1
1 155 . 10 1 1 A 19 19 GLY H H 41 8.876 8.278 0.598 1
1 156 . 10 1 1 A 19 19 GLY HA2 H 41 3.718 4.110 -0.392 1
1 157 . 10 1 1 A 19 19 GLY HA3 H 41 4.341 4.127 0.214 1
1 158 . 10 1 1 A 19 19 GLY CA C 41 44.093 45.609 -1.516 1
1 159 . 10 1 1 A 19 19 GLY N N 41 107.870 107.059 0.811 1
1 160 . 10 1 1 A 20 20 ARG H H 42 8.678 8.336 0.342 1
1 161 . 10 1 1 A 20 20 ARG HA H 42 4.495 4.759 -0.264 1
1 163 . 10 1 1 A 20 20 ARG CA C 42 56.924 55.697 1.227 1
1 164 . 10 1 1 A 20 20 ARG CB C 42 30.828 31.389 -0.561 1
1 165 . 10 1 1 A 20 20 ARG N N 42 121.873 120.581 1.292 1
1 166 . 10 1 1 A 21 21 TRP H H 43 9.320 9.150 0.170 1
1 167 . 10 1 1 A 21 21 TRP HA H 43 4.685 5.198 -0.513 1
1 171 . 10 1 1 A 21 21 TRP CA C 43 55.343 56.064 -0.721 1
1 172 . 10 1 1 A 21 21 TRP CB C 43 34.550 34.069 0.481 1
1 174 . 10 1 1 A 21 21 TRP N N 43 130.676 125.925 4.751 1
1 176 . 10 1 1 A 22 22 TYR H H 44 9.661 9.294 0.367 1
1 177 . 10 1 1 A 22 22 TYR HA H 44 5.607 5.442 0.165 1
1 182 . 10 1 1 A 22 22 TYR CA C 44 56.782 56.883 -0.101 1
1 183 . 10 1 1 A 22 22 TYR CB C 44 39.975 41.380 -1.405 1
1 186 . 10 1 1 A 22 22 TYR N N 44 117.926 124.266 -6.340 1
1 187 . 10 1 1 A 23 23 SER H H 45 9.249 8.045 1.204 1
1 188 . 10 1 1 A 23 23 SER HA H 45 4.705 3.940 0.765 1
1 191 . 10 1 1 A 23 23 SER CA C 45 57.060 59.715 -2.655 1
1 192 . 10 1 1 A 23 23 SER CB C 45 62.668 63.154 -0.486 1
1 193 . 10 1 1 A 23 23 SER N N 45 119.038 120.918 -1.880 1
1 194 . 10 1 1 A 24 24 ALA H H 46 8.724 7.701 1.023 1
1 195 . 10 1 1 A 24 24 ALA HA H 46 4.877 4.586 0.291 1
1 199 . 10 1 1 A 24 24 ALA CA C 46 51.953 51.036 0.917 1
1 200 . 10 1 1 A 24 24 ALA CB C 46 22.855 22.572 0.283 1
1 201 . 10 1 1 A 24 24 ALA N N 46 126.183 127.566 -1.383 1
1 202 . 10 1 1 A 25 25 GLY H H 47 7.820 8.579 -0.759 1
1 203 . 10 1 1 A 25 25 GLY HA2 H 47 2.841 3.162 -0.321 1
1 204 . 10 1 1 A 25 25 GLY HA3 H 47 4.943 3.835 1.108 1
1 205 . 10 1 1 A 25 25 GLY CA C 47 45.285 46.213 -0.928 1
1 206 . 10 1 1 A 25 25 GLY N N 47 107.738 107.526 0.212 1
1 207 . 10 1 1 A 26 26 LEU H H 48 9.082 7.479 1.603 1
1 208 . 10 1 1 A 26 26 LEU HA H 48 5.454 4.536 0.918 1
1 217 . 10 1 1 A 26 26 LEU CA C 48 54.277 53.218 1.059 1
1 218 . 10 1 1 A 26 26 LEU CB C 48 49.097 45.093 4.004 1
1 222 . 10 1 1 A 26 26 LEU N N 48 125.132 125.350 -0.218 1
1 223 . 10 1 1 A 27 27 ALA H H 49 8.854 8.112 0.742 1
1 224 . 10 1 1 A 27 27 ALA HA H 49 5.571 5.151 0.420 1
1 228 . 10 1 1 A 27 27 ALA CA C 49 50.788 51.017 -0.229 1
1 229 . 10 1 1 A 27 27 ALA CB C 49 24.289 22.336 1.953 1
1 230 . 10 1 1 A 27 27 ALA N N 49 123.650 124.527 -0.877 1
1 231 . 10 1 1 A 28 28 SER H H 50 7.321 8.376 -1.055 1
1 232 . 10 1 1 A 28 28 SER HA H 50 4.625 4.691 -0.066 1
1 235 . 10 1 1 A 28 28 SER CA C 50 56.119 56.407 -0.288 1
1 236 . 10 1 1 A 28 28 SER CB C 50 64.886 65.849 -0.963 1
1 237 . 10 1 1 A 28 28 SER N N 50 113.858 116.267 -2.409 1
1 238 . 10 1 1 A 29 29 ASN H H 51 7.743 8.505 -0.762 1
1 239 . 10 1 1 A 29 29 ASN HA H 51 4.809 4.432 0.377 1
1 244 . 10 1 1 A 29 29 ASN CA C 51 51.651 56.761 -5.110 1
1 245 . 10 1 1 A 29 29 ASN CB C 51 37.860 38.321 -0.461 1
1 246 . 10 1 1 A 29 29 ASN N N 51 120.399 122.846 -2.447 1
1 248 . 10 1 1 A 30 30 SER H H 52 8.156 7.927 0.229 1
1 249 . 10 1 1 A 30 30 SER HA H 52 4.460 4.571 -0.111 1
1 252 . 10 1 1 A 30 30 SER CA C 52 58.432 59.353 -0.921 1
1 253 . 10 1 1 A 30 30 SER CB C 52 64.745 64.277 0.468 1
1 254 . 10 1 1 A 30 30 SER N N 52 116.012 115.563 0.449 1
1 255 . 10 1 1 A 31 31 SER H H 53 9.142 9.082 0.060 1
1 256 . 10 1 1 A 31 31 SER HA H 53 4.003 4.867 -0.864 1
1 258 . 10 1 1 A 31 31 SER N N 53 120.999 117.854 3.145 1
1 259 . 10 1 1 A 32 32 TRP H H 54 8.030 7.846 0.184 1
1 260 . 10 1 1 A 32 32 TRP HA H 54 4.329 4.380 -0.051 1
1 265 . 10 1 1 A 32 32 TRP CA C 54 60.082 61.417 -1.335 1
1 266 . 10 1 1 A 32 32 TRP CB C 54 28.641 29.312 -0.671 1
1 268 . 10 1 1 A 32 32 TRP N N 54 121.477 123.154 -1.677 1
1 270 . 10 1 1 A 33 33 PHE H H 55 7.333 8.411 -1.078 1
1 271 . 10 1 1 A 33 33 PHE HA H 55 3.603 4.183 -0.580 1
1 275 . 10 1 1 A 33 33 PHE CA C 55 61.288 61.508 -0.220 1
1 276 . 10 1 1 A 33 33 PHE CB C 55 39.446 39.073 0.373 1
1 278 . 10 1 1 A 33 33 PHE N N 55 120.174 120.229 -0.055 1
1 279 . 10 1 1 A 34 34 ARG H H 56 7.860 8.272 -0.412 1
1 280 . 10 1 1 A 34 34 ARG HA H 56 3.721 3.936 -0.215 1
1 285 . 10 1 1 A 34 34 ARG CA C 56 59.457 59.607 -0.150 1
1 286 . 10 1 1 A 34 34 ARG CB C 56 30.014 29.890 0.124 1
1 289 . 10 1 1 A 34 34 ARG N N 56 117.452 117.786 -0.334 1
1 290 . 10 1 1 A 35 35 GLU H H 57 7.715 7.434 0.281 1
1 291 . 10 1 1 A 35 35 GLU HA H 57 4.100 4.005 0.095 1
1 295 . 10 1 1 A 35 35 GLU CA C 57 57.997 58.520 -0.523 1
1 296 . 10 1 1 A 35 35 GLU CB C 57 29.970 29.385 0.585 1
1 298 . 10 1 1 A 35 35 GLU N N 57 116.049 119.376 -3.327 1
1 299 . 10 1 1 A 36 36 LYS H H 58 7.614 8.005 -0.391 1
1 300 . 10 1 1 A 36 36 LYS HA H 58 4.225 4.094 0.131 1
1 305 . 10 1 1 A 36 36 LYS CA C 58 55.355 57.847 -2.492 1
1 306 . 10 1 1 A 36 36 LYS CB C 58 32.528 32.336 0.192 1
1 310 . 10 1 1 A 36 36 LYS N N 58 116.955 119.202 -2.247 1
1 311 . 10 1 1 A 37 37 LYS H H 59 7.546 7.766 -0.220 1
1 312 . 10 1 1 A 37 37 LYS HA H 59 3.403 3.878 -0.475 1
1 315 . 10 1 1 A 37 37 LYS CA C 59 59.757 58.272 1.485 1
1 316 . 10 1 1 A 37 37 LYS CB C 59 31.569 32.027 -0.458 1
1 320 . 10 1 1 A 37 37 LYS N N 59 118.551 119.269 -0.718 1
1 321 . 10 1 1 A 38 38 ALA H H 60 7.940 7.807 0.133 1
1 322 . 10 1 1 A 38 38 ALA HA H 60 4.215 4.106 0.109 1
1 326 . 10 1 1 A 38 38 ALA CA C 60 53.352 54.449 -1.097 1
1 327 . 10 1 1 A 38 38 ALA CB C 60 19.247 18.273 0.974 1
1 328 . 10 1 1 A 38 38 ALA N N 60 118.227 121.443 -3.216 1
1 329 . 10 1 1 A 39 39 VAL H H 61 7.917 7.473 0.444 1
1 330 . 10 1 1 A 39 39 VAL HA H 61 4.466 4.238 0.228 1
1 338 . 10 1 1 A 39 39 VAL CA C 61 60.339 63.531 -3.192 1
1 339 . 10 1 1 A 39 39 VAL CB C 61 31.626 33.181 -1.555 1
1 342 . 10 1 1 A 39 39 VAL N N 61 111.011 116.520 -5.509 1
1 343 . 10 1 1 A 40 40 LEU H H 62 6.773 7.676 -0.903 1
1 344 . 10 1 1 A 40 40 LEU HA H 62 4.495 3.926 0.569 1
1 350 . 10 1 1 A 40 40 LEU CA C 62 54.357 55.546 -1.189 1
1 351 . 10 1 1 A 40 40 LEU CB C 62 43.272 39.558 3.714 1
1 353 . 10 1 1 A 40 40 LEU N N 62 121.749 122.215 -0.466 1
1 354 . 10 1 1 A 41 41 TYR H H 63 8.277 7.787 0.490 1
1 355 . 10 1 1 A 41 41 TYR HA H 63 4.837 5.718 -0.881 1
1 358 . 10 1 1 A 41 41 TYR CA C 63 56.696 55.135 1.561 1
1 359 . 10 1 1 A 41 41 TYR CB C 63 42.753 41.367 1.386 1
1 360 . 10 1 1 A 41 41 TYR N N 63 118.215 119.642 -1.427 1
1 361 . 10 1 1 A 42 42 MET H H 64 8.749 9.062 -0.313 1
1 362 . 10 1 1 A 42 42 MET HA H 64 4.324 5.176 -0.852 1
1 368 . 10 1 1 A 42 42 MET CA C 64 57.707 54.097 3.610 1
1 369 . 10 1 1 A 42 42 MET CB C 64 35.348 35.954 -0.606 1
1 372 . 10 1 1 A 42 42 MET N N 64 122.104 122.484 -0.380 1
1 373 . 10 1 1 A 43 43 ALA H H 65 7.715 9.150 -1.435 1
1 374 . 10 1 1 A 43 43 ALA HA H 65 5.260 5.577 -0.317 1
1 378 . 10 1 1 A 43 43 ALA CA C 65 50.030 50.084 -0.054 1
1 379 . 10 1 1 A 43 43 ALA CB C 65 22.614 22.280 0.334 1
1 380 . 10 1 1 A 43 43 ALA N N 65 126.545 129.104 -2.559 1
1 381 . 10 1 1 A 44 44 LYS H H 66 8.405 9.560 -1.155 1
1 382 . 10 1 1 A 44 44 LYS HA H 66 4.790 4.853 -0.063 1
1 385 . 10 1 1 A 44 44 LYS CA C 66 55.700 55.618 0.082 1
1 386 . 10 1 1 A 44 44 LYS CB C 66 34.887 33.214 1.673 1
1 387 . 10 1 1 A 44 44 LYS N N 66 122.330 122.283 0.047 1
1 388 . 10 1 1 A 45 45 THR H H 67 9.398 8.604 0.794 1
1 389 . 10 1 1 A 45 45 THR HA H 67 5.067 5.501 -0.434 1
1 394 . 10 1 1 A 45 45 THR CA C 67 62.069 62.104 -0.035 1
1 395 . 10 1 1 A 45 45 THR CB C 67 72.034 70.586 1.448 1
1 397 . 10 1 1 A 45 45 THR N N 67 125.471 121.076 4.395 1
1 398 . 10 1 1 A 46 46 VAL H H 68 9.026 8.683 0.343 1
1 399 . 10 1 1 A 46 46 VAL HA H 68 4.510 4.991 -0.481 1
1 404 . 10 1 1 A 46 46 VAL CA C 68 61.532 61.142 0.390 1
1 405 . 10 1 1 A 46 46 VAL CB C 68 33.257 34.877 -1.620 1
1 407 . 10 1 1 A 46 46 VAL N N 68 126.960 126.097 0.863 1
1 408 . 10 1 1 A 47 47 VAL H H 69 9.346 8.922 0.424 1
1 409 . 10 1 1 A 47 47 VAL HA H 69 4.700 4.592 0.108 1
1 417 . 10 1 1 A 47 47 VAL CA C 69 61.990 61.595 0.395 1
1 418 . 10 1 1 A 47 47 VAL CB C 69 32.495 32.490 0.005 1
1 421 . 10 1 1 A 47 47 VAL N N 69 130.792 129.113 1.679 1
1 422 . 10 1 1 A 48 48 ALA H H 70 9.268 9.114 0.154 1
1 423 . 10 1 1 A 48 48 ALA HA H 70 5.121 4.739 0.382 1
1 427 . 10 1 1 A 48 48 ALA CA C 70 49.710 49.306 0.404 1
1 428 . 10 1 1 A 48 48 ALA CB C 70 21.349 21.143 0.206 1
1 429 . 10 1 1 A 48 48 ALA N N 70 133.796 129.873 3.923 1
1 430 . 10 1 1 A 49 49 PRO HA H 71 4.842 4.797 0.045 1
1 433 . 10 1 1 A 49 49 PRO CA C 71 63.040 63.093 -0.053 1
1 434 . 10 1 1 A 49 49 PRO CB C 71 32.195 32.032 0.163 1
1 437 . 10 1 1 A 50 50 SER H H 72 8.025 8.279 -0.254 1
1 438 . 10 1 1 A 50 50 SER HA H 72 4.914 4.720 0.194 1
1 441 . 10 1 1 A 50 50 SER CA C 72 55.615 56.684 -1.069 1
1 442 . 10 1 1 A 50 50 SER CB C 72 65.439 65.570 -0.131 1
1 443 . 10 1 1 A 50 50 SER N N 72 117.492 117.577 -0.085 1
1 444 . 10 1 1 A 51 51 THR H H 73 8.730 8.884 -0.154 1
1 445 . 10 1 1 A 51 51 THR HA H 73 4.145 4.175 -0.030 1
1 450 . 10 1 1 A 51 51 THR CA C 73 64.544 65.377 -0.833 1
1 451 . 10 1 1 A 51 51 THR CB C 73 68.785 68.483 0.302 1
1 453 . 10 1 1 A 51 51 THR N N 73 116.878 119.836 -2.958 1
1 454 . 10 1 1 A 52 52 GLU H H 74 8.151 7.705 0.446 1
1 455 . 10 1 1 A 52 52 GLU HA H 74 4.475 4.384 0.091 1
1 459 . 10 1 1 A 52 52 GLU CA C 74 56.422 56.308 0.114 1
1 460 . 10 1 1 A 52 52 GLU CB C 74 28.860 30.327 -1.467 1
1 462 . 10 1 1 A 52 52 GLU N N 74 118.204 119.420 -1.216 1
1 463 . 10 1 1 A 53 53 GLY H H 75 7.778 8.364 -0.586 1
1 464 . 10 1 1 A 53 53 GLY HA2 H 75 3.864 4.010 -0.146 1
1 465 . 10 1 1 A 53 53 GLY HA3 H 75 4.446 4.028 0.418 1
1 466 . 10 1 1 A 53 53 GLY CA C 75 45.501 45.893 -0.392 1
1 467 . 10 1 1 A 53 53 GLY N N 75 106.348 108.887 -2.539 1
1 468 . 10 1 1 A 54 54 GLY H H 76 7.775 8.111 -0.336 1
1 469 . 10 1 1 A 54 54 GLY HA2 H 76 4.177 4.074 0.103 1
1 470 . 10 1 1 A 54 54 GLY HA3 H 76 4.677 4.140 0.537 1
1 471 . 10 1 1 A 54 54 GLY CA C 76 43.906 44.629 -0.723 1
1 472 . 10 1 1 A 54 54 GLY N N 76 108.460 107.709 0.751 1
1 473 . 10 1 1 A 55 55 LEU H H 77 8.311 8.127 0.184 1
1 474 . 10 1 1 A 55 55 LEU HA H 77 5.116 5.396 -0.280 1
1 477 . 10 1 1 A 55 55 LEU CA C 77 53.425 52.627 0.798 1
1 478 . 10 1 1 A 55 55 LEU CB C 77 47.604 46.039 1.565 1
1 479 . 10 1 1 A 55 55 LEU N N 77 120.236 120.711 -0.475 1
1 480 . 10 1 1 A 56 56 ASN H H 78 9.424 9.688 -0.264 1
1 481 . 10 1 1 A 56 56 ASN HA H 78 5.149 5.196 -0.047 1
1 485 . 10 1 1 A 56 56 ASN CA C 78 52.316 51.983 0.333 1
1 486 . 10 1 1 A 56 56 ASN CB C 78 40.839 40.758 0.081 1
1 487 . 10 1 1 A 56 56 ASN N N 78 120.305 119.243 1.062 1
1 489 . 10 1 1 A 57 57 LEU H H 79 9.259 8.242 1.017 1
1 490 . 10 1 1 A 57 57 LEU HA H 79 4.903 5.888 -0.985 1
1 491 . 10 1 1 A 57 57 LEU CA C 79 54.713 54.003 0.710 1
1 492 . 10 1 1 A 57 57 LEU CB C 79 42.533 42.431 0.102 1
1 493 . 10 1 1 A 57 57 LEU N N 79 127.309 123.280 4.029 1
1 494 . 10 1 1 A 58 58 THR H H 80 8.973 9.652 -0.679 1
1 495 . 10 1 1 A 58 58 THR HA H 80 4.941 5.033 -0.092 1
1 500 . 10 1 1 A 58 58 THR CA C 80 62.501 61.985 0.516 1
1 501 . 10 1 1 A 58 58 THR CB C 80 68.984 69.535 -0.551 1
1 503 . 10 1 1 A 58 58 THR N N 80 122.763 119.945 2.818 1
1 504 . 10 1 1 A 59 59 SER H H 81 9.549 9.158 0.391 1
1 505 . 10 1 1 A 59 59 SER HA H 81 6.045 6.077 -0.032 1
1 507 . 10 1 1 A 59 59 SER CA C 81 57.242 56.730 0.512 1
1 508 . 10 1 1 A 59 59 SER CB C 81 65.536 64.676 0.860 1
1 509 . 10 1 1 A 59 59 SER N N 81 126.425 121.478 4.947 1
1 510 . 10 1 1 A 60 60 THR H H 82 9.332 9.200 0.132 1
1 511 . 10 1 1 A 60 60 THR HA H 82 5.464 5.434 0.030 1
1 516 . 10 1 1 A 60 60 THR CA C 82 61.719 60.511 1.208 1
1 517 . 10 1 1 A 60 60 THR CB C 82 70.846 70.858 -0.012 1
1 519 . 10 1 1 A 60 60 THR N N 82 121.445 115.683 5.762 1
1 520 . 10 1 1 A 61 61 PHE H H 83 8.794 8.136 0.658 1
1 521 . 10 1 1 A 61 61 PHE HA H 83 5.266 6.767 -1.501 1
1 525 . 10 1 1 A 61 61 PHE CA C 83 54.698 55.148 -0.450 1
1 526 . 10 1 1 A 61 61 PHE CB C 83 42.327 42.792 -0.465 1
1 528 . 10 1 1 A 61 61 PHE N N 83 121.707 119.822 1.885 1
1 529 . 10 1 1 A 62 62 LEU H H 84 8.915 8.560 0.355 1
1 530 . 10 1 1 A 62 62 LEU HA H 84 4.885 5.460 -0.575 1
1 540 . 10 1 1 A 62 62 LEU CA C 84 54.447 53.738 0.709 1
1 541 . 10 1 1 A 62 62 LEU CB C 84 43.627 44.905 -1.278 1
1 545 . 10 1 1 A 62 62 LEU N N 84 122.160 122.883 -0.723 1
1 546 . 10 1 1 A 63 63 ARG H H 85 9.213 9.275 -0.062 1
1 547 . 10 1 1 A 63 63 ARG HA H 85 4.645 5.016 -0.371 1
1 551 . 10 1 1 A 63 63 ARG CA C 85 56.244 54.956 1.288 1
1 552 . 10 1 1 A 63 63 ARG CB C 85 32.551 32.340 0.211 1
1 555 . 10 1 1 A 63 63 ARG N N 85 128.889 125.672 3.217 1
1 556 . 10 1 1 A 64 64 LYS H H 86 9.466 9.534 -0.068 1
1 557 . 10 1 1 A 64 64 LYS HA H 86 3.869 3.960 -0.091 1
1 563 . 10 1 1 A 64 64 LYS CA C 86 58.497 57.521 0.976 1
1 564 . 10 1 1 A 64 64 LYS CB C 86 30.202 30.949 -0.747 1
1 568 . 10 1 1 A 64 64 LYS N N 86 127.634 119.545 8.089 1
1 569 . 10 1 1 A 65 65 ASN H H 87 8.648 8.589 0.059 1
1 570 . 10 1 1 A 65 65 ASN HA H 87 4.500 4.336 0.164 1
1 575 . 10 1 1 A 65 65 ASN CA C 87 54.059 54.399 -0.340 1
1 576 . 10 1 1 A 65 65 ASN CB C 87 38.861 37.593 1.268 1
1 577 . 10 1 1 A 65 65 ASN N N 87 113.645 115.166 -1.521 1
1 579 . 10 1 1 A 66 66 GLN H H 88 8.009 7.716 0.293 1
1 580 . 10 1 1 A 66 66 GLN HA H 88 4.720 4.939 -0.219 1
1 586 . 10 1 1 A 66 66 GLN CA C 88 53.951 54.520 -0.569 1
1 587 . 10 1 1 A 66 66 GLN CB C 88 32.360 31.324 1.036 1
1 589 . 10 1 1 A 66 66 GLN N N 88 118.506 117.051 1.455 1
1 591 . 10 1 1 A 67 67 CYS H H 89 8.712 8.804 -0.092 1
1 592 . 10 1 1 A 67 67 CYS HA H 89 5.398 5.582 -0.184 1
1 595 . 10 1 1 A 67 67 CYS CA C 89 52.821 54.167 -1.346 1
1 596 . 10 1 1 A 67 67 CYS CB C 89 36.780 44.785 -8.005 1
1 597 . 10 1 1 A 67 67 CYS N N 89 119.694 124.181 -4.487 1
1 598 . 10 1 1 A 68 68 GLU H H 90 9.083 8.128 0.955 1
1 599 . 10 1 1 A 68 68 GLU HA H 90 4.568 4.859 -0.291 1
1 603 . 10 1 1 A 68 68 GLU CA C 90 54.905 54.629 0.276 1
1 604 . 10 1 1 A 68 68 GLU CB C 90 33.372 33.292 0.080 1
1 606 . 10 1 1 A 68 68 GLU N N 90 126.906 123.797 3.109 1
1 607 . 10 1 1 A 69 69 THR H H 91 8.233 8.697 -0.464 1
1 608 . 10 1 1 A 69 69 THR HA H 91 5.721 5.208 0.513 1
1 613 . 10 1 1 A 69 69 THR CA C 91 60.732 59.715 1.017 1
1 614 . 10 1 1 A 69 69 THR CB C 91 71.796 71.073 0.723 1
1 616 . 10 1 1 A 69 69 THR N N 91 115.413 114.434 0.979 1
1 617 . 10 1 1 A 70 70 LYS H H 92 9.232 8.603 0.629 1
1 618 . 10 1 1 A 70 70 LYS HA H 92 4.847 4.928 -0.081 1
1 624 . 10 1 1 A 70 70 LYS CA C 92 54.766 55.148 -0.382 1
1 625 . 10 1 1 A 70 70 LYS CB C 92 36.982 36.008 0.974 1
1 629 . 10 1 1 A 70 70 LYS N N 92 125.378 122.160 3.218 1
1 630 . 10 1 1 A 71 71 ILE H H 93 8.751 9.028 -0.277 1
1 631 . 10 1 1 A 71 71 ILE HA H 93 5.101 4.829 0.272 1
1 641 . 10 1 1 A 71 71 ILE CA C 93 60.391 59.955 0.436 1
1 642 . 10 1 1 A 71 71 ILE CB C 93 40.534 39.748 0.786 1
1 646 . 10 1 1 A 71 71 ILE N N 93 124.290 127.301 -3.011 1
1 647 . 10 1 1 A 72 72 MET H H 94 9.003 9.080 -0.077 1
1 648 . 10 1 1 A 72 72 MET HA H 94 4.775 5.230 -0.455 1
1 651 . 10 1 1 A 72 72 MET CA C 94 54.673 54.290 0.383 1
1 652 . 10 1 1 A 72 72 MET CB C 94 36.889 35.827 1.062 1
1 654 . 10 1 1 A 72 72 MET N N 94 127.651 128.785 -1.134 1
1 655 . 10 1 1 A 73 73 VAL H H 95 8.607 9.150 -0.543 1
1 656 . 10 1 1 A 73 73 VAL HA H 95 4.740 4.664 0.076 1
1 661 . 10 1 1 A 73 73 VAL CA C 95 62.080 61.811 0.269 1
1 662 . 10 1 1 A 73 73 VAL CB C 95 33.333 32.968 0.365 1
1 664 . 10 1 1 A 73 73 VAL N N 95 125.436 126.288 -0.852 1
1 665 . 10 1 1 A 74 74 LEU H H 96 9.278 8.865 0.413 1
1 666 . 10 1 1 A 74 74 LEU HA H 96 5.089 5.341 -0.252 1
1 668 . 10 1 1 A 74 74 LEU CA C 96 53.117 53.391 -0.274 1
1 669 . 10 1 1 A 74 74 LEU CB C 96 42.342 45.719 -3.377 1
1 670 . 10 1 1 A 74 74 LEU N N 96 127.760 130.037 -2.277 1
1 671 . 10 1 1 A 75 75 GLN H H 97 9.280 9.036 0.244 1
1 672 . 10 1 1 A 75 75 GLN HA H 97 5.018 5.108 -0.090 1
1 675 . 10 1 1 A 75 75 GLN CA C 97 53.326 52.889 0.437 1
1 676 . 10 1 1 A 75 75 GLN CB C 97 29.255 31.462 -2.207 1
1 678 . 10 1 1 A 75 75 GLN N N 97 125.135 124.896 0.239 1
1 679 . 10 1 1 A 76 76 PRO HA H 98 4.407 4.704 -0.297 1
1 682 . 10 1 1 A 76 76 PRO CA C 98 64.216 63.291 0.925 1
1 683 . 10 1 1 A 76 76 PRO CB C 98 32.365 32.550 -0.185 1
1 684 . 10 1 1 A 77 77 ALA H H 99 8.021 8.047 -0.026 1
1 685 . 10 1 1 A 77 77 ALA HA H 99 4.691 4.594 0.097 1
1 689 . 10 1 1 A 77 77 ALA CA C 99 50.927 51.213 -0.286 1
1 690 . 10 1 1 A 77 77 ALA CB C 99 20.003 18.768 1.235 1
1 691 . 10 1 1 A 77 77 ALA N N 99 126.607 126.055 0.552 1
1 692 . 10 1 1 A 78 78 GLY H H 100 8.185 8.058 0.127 1
1 693 . 10 1 1 A 78 78 GLY HA2 H 100 3.560 3.879 -0.319 1
1 694 . 10 1 1 A 78 78 GLY HA3 H 100 4.211 3.883 0.328 1
1 695 . 10 1 1 A 78 78 GLY CA C 100 45.692 47.021 -1.329 1
1 696 . 10 1 1 A 78 78 GLY N N 100 109.388 108.001 1.387 1
1 697 . 10 1 1 A 79 79 ALA H H 101 8.074 7.355 0.719 1
1 698 . 10 1 1 A 79 79 ALA HA H 101 4.624 4.481 0.143 1
1 702 . 10 1 1 A 79 79 ALA CA C 101 50.576 50.752 -0.176 1
1 703 . 10 1 1 A 79 79 ALA CB C 101 18.277 19.533 -1.256 1
1 704 . 10 1 1 A 79 79 ALA N N 101 126.934 125.892 1.042 1
1 705 . 10 1 1 A 80 80 PRO HA H 102 4.425 3.950 0.475 1
1 707 . 10 1 1 A 80 80 PRO CA C 102 63.915 63.495 0.420 1
1 708 . 10 1 1 A 80 80 PRO CB C 102 32.093 31.722 0.371 1
1 711 . 10 1 1 A 81 81 GLY H H 103 8.227 8.667 -0.440 1
1 712 . 10 1 1 A 81 81 GLY HA2 H 103 2.428 3.873 -1.445 1
1 713 . 10 1 1 A 81 81 GLY HA3 H 103 3.673 3.891 -0.218 1
1 714 . 10 1 1 A 81 81 GLY CA C 103 44.671 45.188 -0.517 1
1 715 . 10 1 1 A 81 81 GLY N N 103 111.362 111.312 0.050 1
1 716 . 10 1 1 A 82 82 HIS H H 104 7.610 7.917 -0.307 1
1 717 . 10 1 1 A 82 82 HIS HA H 104 5.169 4.677 0.492 1
1 721 . 10 1 1 A 82 82 HIS CA C 104 54.457 55.307 -0.850 1
1 722 . 10 1 1 A 82 82 HIS CB C 104 29.867 32.101 -2.234 1
1 724 . 10 1 1 A 82 82 HIS N N 104 117.393 118.848 -1.455 1
1 725 . 10 1 1 A 83 83 TYR H H 105 9.164 8.397 0.767 1
1 726 . 10 1 1 A 83 83 TYR HA H 105 5.465 5.237 0.228 1
1 730 . 10 1 1 A 83 83 TYR CA C 105 56.894 56.383 0.511 1
1 731 . 10 1 1 A 83 83 TYR CB C 105 44.686 43.097 1.589 1
1 733 . 10 1 1 A 83 83 TYR N N 105 122.473 119.981 2.492 1
1 734 . 10 1 1 A 84 84 THR H H 106 9.475 8.838 0.637 1
1 735 . 10 1 1 A 84 84 THR HA H 106 5.439 5.209 0.230 1
1 740 . 10 1 1 A 84 84 THR CA C 106 60.469 60.703 -0.234 1
1 741 . 10 1 1 A 84 84 THR CB C 106 72.344 71.644 0.700 1
1 743 . 10 1 1 A 84 84 THR N N 106 112.202 113.883 -1.681 1
1 744 . 10 1 1 A 85 85 TYR H H 107 8.723 8.256 0.467 1
1 745 . 10 1 1 A 85 85 TYR HA H 107 5.239 5.791 -0.552 1
1 749 . 10 1 1 A 85 85 TYR CA C 107 56.392 55.337 1.055 1
1 750 . 10 1 1 A 85 85 TYR CB C 107 41.653 41.618 0.035 1
1 751 . 10 1 1 A 85 85 TYR N N 107 118.519 119.766 -1.247 1
1 752 . 10 1 1 A 86 86 SER H H 108 8.509 9.230 -0.721 1
1 753 . 10 1 1 A 86 86 SER HA H 108 4.564 5.265 -0.701 1
1 755 . 10 1 1 A 86 86 SER CA C 108 56.420 56.566 -0.146 1
1 756 . 10 1 1 A 86 86 SER CB C 108 63.939 64.296 -0.357 1
1 757 . 10 1 1 A 86 86 SER N N 108 120.384 115.303 5.081 1
1 758 . 10 1 1 A 87 87 SER H H 109 8.155 8.912 -0.757 1
1 759 . 10 1 1 A 87 87 SER HA H 109 4.519 4.631 -0.112 1
1 762 . 10 1 1 A 87 87 SER CA C 109 56.046 57.073 -1.027 1
1 763 . 10 1 1 A 87 87 SER CB C 109 63.145 63.731 -0.586 1
1 764 . 10 1 1 A 87 87 SER N N 109 120.949 122.841 -1.892 1
1 765 . 10 1 1 A 88 88 PRO HA H 110 4.287 4.807 -0.520 1
1 767 . 10 1 1 A 88 88 PRO CA C 110 64.081 62.438 1.643 1
1 768 . 10 1 1 A 88 88 PRO CB C 110 32.049 29.496 2.553 1
1 771 . 10 1 1 A 89 89 HIS H H 111 8.535 8.518 0.017 1
1 772 . 10 1 1 A 89 89 HIS HA H 111 4.421 4.840 -0.419 1
1 774 . 10 1 1 A 89 89 HIS CA C 111 56.683 56.901 -0.218 1
1 775 . 10 1 1 A 89 89 HIS CB C 111 27.859 31.703 -3.844 1
1 776 . 10 1 1 A 89 89 HIS N N 111 115.372 121.319 -5.947 1
1 777 . 10 1 1 A 90 90 SER H H 112 8.012 8.174 -0.162 1
1 778 . 10 1 1 A 90 90 SER HA H 112 4.422 4.421 0.001 1
1 781 . 10 1 1 A 90 90 SER CA C 112 58.586 58.996 -0.410 1
1 782 . 10 1 1 A 90 90 SER CB C 112 64.405 64.265 0.140 1
1 783 . 10 1 1 A 90 90 SER N N 112 112.865 111.908 0.957 1
1 784 . 10 1 1 A 91 91 GLY H H 113 8.239 8.865 -0.626 1
1 785 . 10 1 1 A 91 91 GLY HA2 H 113 3.911 3.920 -0.009 1
1 786 . 10 1 1 A 91 91 GLY HA3 H 113 3.966 3.932 0.034 1
1 787 . 10 1 1 A 91 91 GLY CA C 113 45.627 46.411 -0.784 1
1 788 . 10 1 1 A 91 91 GLY N N 113 110.848 109.989 0.859 1
1 789 . 10 1 1 A 92 92 SER H H 114 7.757 7.677 0.080 1
1 790 . 10 1 1 A 92 92 SER HA H 114 4.518 4.886 -0.368 1
1 792 . 10 1 1 A 92 92 SER CA C 114 58.132 56.586 1.546 1
1 793 . 10 1 1 A 92 92 SER CB C 114 64.340 65.650 -1.310 1
1 794 . 10 1 1 A 92 92 SER N N 114 114.404 114.208 0.196 1
1 795 . 10 1 1 A 93 93 ILE H H 115 8.456 8.692 -0.236 1
1 796 . 10 1 1 A 93 93 ILE HA H 115 4.412 4.619 -0.207 1
1 806 . 10 1 1 A 93 93 ILE CA C 115 60.573 60.276 0.297 1
1 807 . 10 1 1 A 93 93 ILE CB C 115 39.061 39.734 -0.673 1
1 811 . 10 1 1 A 93 93 ILE N N 115 124.873 123.871 1.002 1
1 812 . 10 1 1 A 94 94 HIS H H 116 8.994 8.394 0.600 1
1 813 . 10 1 1 A 94 94 HIS HA H 116 5.309 5.189 0.120 1
1 814 . 10 1 1 A 94 94 HIS CA C 116 53.919 54.175 -0.256 1
1 815 . 10 1 1 A 94 94 HIS CB C 116 27.883 32.493 -4.610 1
1 816 . 10 1 1 A 94 94 HIS N N 116 125.591 126.160 -0.569 1
1 817 . 10 1 1 A 95 95 SER H H 117 9.153 8.486 0.667 1
1 818 . 10 1 1 A 95 95 SER HA H 117 5.101 5.271 -0.170 1
1 820 . 10 1 1 A 95 95 SER CA C 117 57.114 56.404 0.710 1
1 821 . 10 1 1 A 95 95 SER CB C 117 64.430 64.659 -0.229 1
1 822 . 10 1 1 A 95 95 SER N N 117 117.598 118.084 -0.486 1
1 823 . 10 1 1 A 96 96 VAL H H 118 9.055 9.073 -0.018 1
1 824 . 10 1 1 A 96 96 VAL HA H 118 5.009 5.000 0.009 1
1 828 . 10 1 1 A 96 96 VAL CA C 118 61.453 59.656 1.797 1
1 829 . 10 1 1 A 96 96 VAL CB C 118 35.098 34.342 0.756 1
1 831 . 10 1 1 A 96 96 VAL N N 118 126.585 119.489 7.096 1
1 832 . 10 1 1 A 97 97 SER H H 119 9.032 9.207 -0.175 1
1 833 . 10 1 1 A 97 97 SER HA H 119 5.543 4.851 0.692 1
1 835 . 10 1 1 A 97 97 SER CA C 119 56.290 57.747 -1.457 1
1 836 . 10 1 1 A 97 97 SER CB C 119 65.799 64.182 1.617 1
1 837 . 10 1 1 A 97 97 SER N N 119 121.395 121.635 -0.240 1
1 838 . 10 1 1 A 98 98 VAL H H 120 8.402 8.996 -0.594 1
1 839 . 10 1 1 A 98 98 VAL HA H 120 4.027 4.084 -0.057 1
1 847 . 10 1 1 A 98 98 VAL CA C 120 62.212 63.140 -0.928 1
1 848 . 10 1 1 A 98 98 VAL CB C 120 29.250 31.220 -1.970 1
1 851 . 10 1 1 A 98 98 VAL N N 120 124.771 127.158 -2.387 1
1 852 . 10 1 1 A 99 99 VAL H H 121 8.361 8.864 -0.503 1
1 853 . 10 1 1 A 99 99 VAL HA H 121 3.723 3.817 -0.094 1
1 858 . 10 1 1 A 99 99 VAL CA C 121 65.202 65.242 -0.040 1
1 859 . 10 1 1 A 99 99 VAL CB C 121 32.718 32.016 0.702 1
1 861 . 10 1 1 A 99 99 VAL N N 121 128.844 128.877 -0.033 1
1 862 . 10 1 1 A 100 100 GLU H H 122 7.188 7.822 -0.634 1
1 863 . 10 1 1 A 100 100 GLU HA H 122 4.726 4.821 -0.095 1
1 866 . 10 1 1 A 100 100 GLU CA C 122 54.951 55.036 -0.085 1
1 867 . 10 1 1 A 100 100 GLU CB C 122 34.111 33.894 0.217 1
1 868 . 10 1 1 A 100 100 GLU N N 122 113.832 118.784 -4.952 1
1 869 . 10 1 1 A 101 101 ALA H H 123 8.708 8.650 0.058 1
1 870 . 10 1 1 A 101 101 ALA HA H 123 4.365 4.963 -0.598 1
1 874 . 10 1 1 A 101 101 ALA CA C 123 52.217 50.614 1.603 1
1 875 . 10 1 1 A 101 101 ALA CB C 123 21.568 21.259 0.309 1
1 876 . 10 1 1 A 101 101 ALA N N 123 124.349 123.693 0.656 1
1 877 . 10 1 1 A 105 105 GLU HA H 127 3.719 4.508 -0.789 1
1 878 . 10 1 1 A 105 105 GLU CA C 127 59.422 56.005 3.417 1
1 879 . 10 1 1 A 105 105 GLU CB C 127 35.689 30.404 5.285 1
1 880 . 10 1 1 A 106 106 TYR H H 128 9.359 7.036 2.323 1
1 881 . 10 1 1 A 106 106 TYR HA H 128 6.292 5.202 1.090 1
1 885 . 10 1 1 A 106 106 TYR CA C 128 58.184 56.772 1.412 1
1 886 . 10 1 1 A 106 106 TYR CB C 128 42.417 40.270 2.147 1
1 889 . 10 1 1 A 106 106 TYR N N 128 118.441 117.484 0.957 1
1 890 . 10 1 1 A 107 107 ALA H H 129 9.057 8.875 0.182 1
1 891 . 10 1 1 A 107 107 ALA HA H 129 4.724 5.497 -0.773 1
1 895 . 10 1 1 A 107 107 ALA CA C 129 51.666 50.345 1.321 1
1 896 . 10 1 1 A 107 107 ALA CB C 129 22.720 21.876 0.844 1
1 897 . 10 1 1 A 107 107 ALA N N 129 120.309 123.318 -3.009 1
1 898 . 10 1 1 A 108 108 LEU H H 130 8.889 8.530 0.359 1
1 899 . 10 1 1 A 108 108 LEU HA H 130 5.191 5.201 -0.010 1
1 908 . 10 1 1 A 108 108 LEU CA C 130 53.730 53.297 0.433 1
1 909 . 10 1 1 A 108 108 LEU CB C 130 43.792 44.841 -1.049 1
1 912 . 10 1 1 A 108 108 LEU N N 130 122.798 124.857 -2.059 1
1 913 . 10 1 1 A 109 109 LEU H H 131 9.168 9.644 -0.476 1
1 914 . 10 1 1 A 109 109 LEU HA H 131 5.410 5.131 0.279 1
1 924 . 10 1 1 A 109 109 LEU CA C 131 54.387 53.999 0.388 1
1 925 . 10 1 1 A 109 109 LEU CB C 131 45.159 45.398 -0.239 1
1 929 . 10 1 1 A 109 109 LEU N N 131 126.359 128.501 -2.142 1
1 930 . 10 1 1 A 110 110 PHE H H 132 9.150 8.872 0.278 1
1 931 . 10 1 1 A 110 110 PHE HA H 132 5.687 5.384 0.303 1
1 935 . 10 1 1 A 110 110 PHE CA C 132 56.501 56.001 0.500 1
1 936 . 10 1 1 A 110 110 PHE CB C 132 43.567 42.366 1.201 1
1 937 . 10 1 1 A 110 110 PHE N N 132 120.892 125.601 -4.709 1
1 938 . 10 1 1 A 111 111 SER H H 133 8.978 9.240 -0.262 1
1 939 . 10 1 1 A 111 111 SER HA H 133 5.702 5.460 0.242 1
1 941 . 10 1 1 A 111 111 SER CA C 133 55.789 56.671 -0.882 1
1 942 . 10 1 1 A 111 111 SER CB C 133 65.521 65.041 0.480 1
1 943 . 10 1 1 A 111 111 SER N N 133 125.184 123.387 1.797 1
1 944 . 10 1 1 A 112 112 ARG H H 134 8.581 8.553 0.028 1
1 945 . 10 1 1 A 112 112 ARG HA H 134 5.151 5.497 -0.346 1
1 950 . 10 1 1 A 112 112 ARG CA C 134 53.502 54.895 -1.393 1
1 951 . 10 1 1 A 112 112 ARG CB C 134 34.324 34.073 0.251 1
1 954 . 10 1 1 A 112 112 ARG N N 134 120.408 126.667 -6.259 1
1 955 . 10 1 1 A 113 113 GLY H H 135 8.195 9.636 -1.441 1
1 956 . 10 1 1 A 113 113 GLY HA2 H 135 4.108 4.342 -0.234 1
1 957 . 10 1 1 A 113 113 GLY HA3 H 135 4.342 4.565 -0.223 1
1 958 . 10 1 1 A 113 113 GLY CA C 135 45.735 45.130 0.605 1
1 959 . 10 1 1 A 113 113 GLY N N 135 108.687 110.825 -2.138 1
1 960 . 10 1 1 A 114 114 THR H H 136 8.437 8.589 -0.152 1
1 961 . 10 1 1 A 114 114 THR HA H 136 4.686 4.362 0.324 1
1 966 . 10 1 1 A 114 114 THR CA C 136 61.317 62.720 -1.403 1
1 967 . 10 1 1 A 114 114 THR CB C 136 70.640 69.821 0.819 1
1 969 . 10 1 1 A 114 114 THR N N 136 112.383 111.693 0.690 1
1 970 . 10 1 1 A 115 115 LYS H H 137 8.042 8.018 0.024 1
1 971 . 10 1 1 A 115 115 LYS HA H 137 4.457 3.855 0.602 1
1 976 . 10 1 1 A 115 115 LYS CA C 137 56.861 56.995 -0.134 1
1 977 . 10 1 1 A 115 115 LYS CB C 137 34.523 31.337 3.186 1
1 981 . 10 1 1 A 115 115 LYS N N 137 121.031 119.543 1.488 1
1 982 . 10 1 1 A 116 116 GLY H H 138 8.574 8.473 0.101 1
1 983 . 10 1 1 A 116 116 GLY HA2 H 138 3.894 3.772 0.122 1
1 984 . 10 1 1 A 116 116 GLY HA3 H 138 4.566 3.774 0.792 1
1 985 . 10 1 1 A 116 116 GLY CA C 138 44.217 46.697 -2.480 1
1 986 . 10 1 1 A 116 116 GLY N N 138 112.843 113.172 -0.329 1
1 987 . 10 1 1 A 117 117 PRO HA H 139 4.452 4.578 -0.126 1
1 992 . 10 1 1 A 117 117 PRO CA C 139 63.920 63.019 0.901 1
1 993 . 10 1 1 A 117 117 PRO CB C 139 31.786 30.514 1.272 1
1 996 . 10 1 1 A 118 118 GLY H H 140 8.835 7.748 1.087 1
1 997 . 10 1 1 A 118 118 GLY HA2 H 140 4.030 3.905 0.125 1
1 998 . 10 1 1 A 118 118 GLY HA3 H 140 4.187 3.906 0.281 1
1 999 . 10 1 1 A 118 118 GLY CA C 140 45.949 46.678 -0.729 1
1 1000 . 10 1 1 A 118 118 GLY N N 140 110.324 107.593 2.731 1
1 1001 . 10 1 1 A 119 119 GLN H H 141 8.062 8.475 -0.413 1
1 1002 . 10 1 1 A 119 119 GLN HA H 141 4.067 4.475 -0.408 1
1 1005 . 10 1 1 A 119 119 GLN CA C 141 57.874 55.370 2.504 1
1 1006 . 10 1 1 A 119 119 GLN CB C 141 28.638 28.782 -0.144 1
1 1008 . 10 1 1 A 119 119 GLN N N 141 119.674 117.837 1.837 1
1 1009 . 10 1 1 A 120 120 ASP H H 142 8.554 7.628 0.926 1
1 1010 . 10 1 1 A 120 120 ASP HA H 142 4.606 4.469 0.137 1
1 1012 . 10 1 1 A 120 120 ASP CA C 142 54.348 55.112 -0.764 1
1 1013 . 10 1 1 A 120 120 ASP CB C 142 40.529 39.547 0.982 1
1 1014 . 10 1 1 A 120 120 ASP N N 142 117.596 117.407 0.189 1
1 1015 . 10 1 1 A 121 121 PHE H H 143 7.890 8.745 -0.855 1
1 1016 . 10 1 1 A 121 121 PHE HA H 143 4.477 4.761 -0.284 1
1 1021 . 10 1 1 A 121 121 PHE CA C 143 59.232 58.622 0.610 1
1 1022 . 10 1 1 A 121 121 PHE CB C 143 39.898 40.213 -0.315 1
1 1025 . 10 1 1 A 121 121 PHE N N 143 122.226 119.840 2.386 1
1 1026 . 10 1 1 A 122 122 ARG H H 144 7.956 8.557 -0.601 1
1 1027 . 10 1 1 A 122 122 ARG HA H 144 4.664 5.408 -0.744 1
1 1032 . 10 1 1 A 122 122 ARG CA C 144 54.337 54.346 -0.009 1
1 1033 . 10 1 1 A 122 122 ARG CB C 144 34.705 33.063 1.642 1
1 1036 . 10 1 1 A 122 122 ARG N N 144 126.876 124.096 2.780 1
1 1037 . 10 1 1 A 123 123 MET H H 145 8.444 8.628 -0.184 1
1 1038 . 10 1 1 A 123 123 MET HA H 145 5.157 4.860 0.297 1
1 1042 . 10 1 1 A 123 123 MET CA C 145 54.904 54.512 0.392 1
1 1043 . 10 1 1 A 123 123 MET CB C 145 37.618 35.916 1.702 1
1 1045 . 10 1 1 A 123 123 MET N N 145 121.767 121.899 -0.132 1
1 1046 . 10 1 1 A 124 124 ALA H H 146 9.809 8.336 1.473 1
1 1047 . 10 1 1 A 124 124 ALA HA H 146 5.801 5.143 0.658 1
1 1051 . 10 1 1 A 124 124 ALA CA C 146 50.289 49.848 0.441 1
1 1052 . 10 1 1 A 124 124 ALA CB C 146 22.630 21.417 1.213 1
1 1053 . 10 1 1 A 124 124 ALA N N 146 132.634 126.890 5.744 1
1 1054 . 10 1 1 A 125 125 THR H H 147 9.169 9.369 -0.200 1
1 1055 . 10 1 1 A 125 125 THR HA H 147 4.974 5.457 -0.483 1
1 1060 . 10 1 1 A 125 125 THR CA C 147 62.270 61.682 0.588 1
1 1061 . 10 1 1 A 125 125 THR CB C 147 71.431 70.956 0.475 1
1 1063 . 10 1 1 A 125 125 THR N N 147 118.001 115.373 2.628 1
1 1064 . 10 1 1 A 126 126 LEU H H 148 8.287 9.091 -0.804 1
1 1065 . 10 1 1 A 126 126 LEU HA H 148 4.994 5.163 -0.169 1
1 1072 . 10 1 1 A 126 126 LEU CA C 148 52.917 53.812 -0.895 1
1 1073 . 10 1 1 A 126 126 LEU CB C 148 42.487 43.967 -1.480 1
1 1076 . 10 1 1 A 126 126 LEU N N 148 128.462 128.818 -0.356 1
1 1077 . 10 1 1 A 127 127 TYR H H 149 9.352 8.745 0.607 1
1 1078 . 10 1 1 A 127 127 TYR HA H 149 5.745 4.940 0.805 1
1 1082 . 10 1 1 A 127 127 TYR CA C 149 55.277 59.274 -3.997 1
1 1083 . 10 1 1 A 127 127 TYR CB C 149 40.105 39.726 0.379 1
1 1085 . 10 1 1 A 127 127 TYR N N 149 127.854 127.372 0.482 1
1 1086 . 10 1 1 A 128 128 SER H H 150 9.808 8.978 0.830 1
1 1087 . 10 1 1 A 128 128 SER HA H 150 6.032 5.261 0.771 1
1 1090 . 10 1 1 A 128 128 SER CA C 150 55.349 58.043 -2.694 1
1 1091 . 10 1 1 A 128 128 SER CB C 150 66.028 65.190 0.838 1
1 1092 . 10 1 1 A 128 128 SER N N 150 113.673 120.047 -6.374 1
1 1093 . 10 1 1 A 129 129 ARG H H 151 8.667 8.863 -0.196 1
1 1094 . 10 1 1 A 129 129 ARG HA H 151 4.184 4.128 0.056 1
1 1096 . 10 1 1 A 129 129 ARG CA C 151 56.959 59.809 -2.850 1
1 1097 . 10 1 1 A 129 129 ARG CB C 151 31.553 30.155 1.398 1
1 1098 . 10 1 1 A 129 129 ARG N N 151 126.102 126.523 -0.421 1
1 1099 . 10 1 1 A 130 130 THR H H 152 8.244 7.759 0.485 1
1 1100 . 10 1 1 A 130 130 THR HA H 152 4.879 4.350 0.529 1
1 1105 . 10 1 1 A 130 130 THR CA C 152 59.501 60.885 -1.384 1
1 1106 . 10 1 1 A 130 130 THR CB C 152 71.244 70.875 0.369 1
1 1108 . 10 1 1 A 130 130 THR N N 152 108.224 110.774 -2.550 1
1 1109 . 10 1 1 A 131 131 GLN H H 153 8.765 8.632 0.133 1
1 1110 . 10 1 1 A 131 131 GLN HA H 153 3.664 3.557 0.107 1
1 1117 . 10 1 1 A 131 131 GLN CA C 153 57.614 58.330 -0.716 1
1 1118 . 10 1 1 A 131 131 GLN CB C 153 28.738 28.394 0.344 1
1 1120 . 10 1 1 A 131 131 GLN N N 153 119.385 120.661 -1.276 1
1 1122 . 10 1 1 A 132 132 THR H H 154 7.242 7.474 -0.232 1
1 1123 . 10 1 1 A 132 132 THR HA H 154 4.309 5.083 -0.774 1
1 1128 . 10 1 1 A 132 132 THR CA C 154 60.406 60.484 -0.078 1
1 1129 . 10 1 1 A 132 132 THR CB C 154 70.006 71.365 -1.359 1
1 1131 . 10 1 1 A 132 132 THR N N 154 108.689 111.588 -2.899 1
1 1132 . 10 1 1 A 133 133 LEU H H 155 8.608 8.685 -0.077 1
1 1133 . 10 1 1 A 133 133 LEU HA H 155 4.631 5.180 -0.549 1
1 1143 . 10 1 1 A 133 133 LEU CA C 155 53.415 52.715 0.700 1
1 1144 . 10 1 1 A 133 133 LEU CB C 155 44.570 45.782 -1.212 1
1 1148 . 10 1 1 A 133 133 LEU N N 155 124.560 119.034 5.526 1
1 1149 . 10 1 1 A 134 134 LYS H H 156 8.157 8.610 -0.453 1
1 1150 . 10 1 1 A 134 134 LYS HA H 156 4.374 4.549 -0.175 1
1 1156 . 10 1 1 A 134 134 LYS CA C 156 56.031 55.118 0.913 1
1 1157 . 10 1 1 A 134 134 LYS CB C 156 33.505 34.303 -0.798 1
1 1161 . 10 1 1 A 134 134 LYS N N 156 123.852 122.836 1.016 1
1 1162 . 10 1 1 A 135 135 ASP H H 157 8.974 8.702 0.272 1
1 1163 . 10 1 1 A 135 135 ASP HA H 157 4.143 4.161 -0.018 1
1 1165 . 10 1 1 A 135 135 ASP CA C 157 58.252 56.628 1.624 1
1 1166 . 10 1 1 A 135 135 ASP CB C 157 39.857 40.366 -0.509 1
1 1167 . 10 1 1 A 135 135 ASP N N 157 124.197 124.100 0.097 1
1 1168 . 10 1 1 A 136 136 GLU H H 158 9.287 7.890 1.397 1
1 1169 . 10 1 1 A 136 136 GLU HA H 158 4.141 4.121 0.020 1
1 1173 . 10 1 1 A 136 136 GLU CA C 158 59.348 58.901 0.447 1
1 1174 . 10 1 1 A 136 136 GLU CB C 158 28.638 29.517 -0.879 1
1 1176 . 10 1 1 A 136 136 GLU N N 158 117.885 120.126 -2.241 1
1 1177 . 10 1 1 A 137 137 LEU H H 159 7.246 8.235 -0.989 1
1 1178 . 10 1 1 A 137 137 LEU HA H 159 4.053 3.921 0.132 1
1 1187 . 10 1 1 A 137 137 LEU CA C 159 56.663 57.351 -0.688 1
1 1188 . 10 1 1 A 137 137 LEU CB C 159 41.666 41.153 0.513 1
1 1192 . 10 1 1 A 137 137 LEU N N 159 119.393 120.100 -0.707 1
1 1193 . 10 1 1 A 138 138 LYS H H 160 7.383 9.603 -2.220 1
1 1194 . 10 1 1 A 138 138 LYS HA H 160 3.997 3.960 0.037 1
1 1200 . 10 1 1 A 138 138 LYS CA C 160 60.416 59.039 1.377 1
1 1201 . 10 1 1 A 138 138 LYS CB C 160 31.478 31.721 -0.243 1
1 1205 . 10 1 1 A 138 138 LYS N N 160 119.612 121.768 -2.156 1
1 1206 . 10 1 1 A 139 139 GLU H H 161 7.978 8.218 -0.240 1
1 1207 . 10 1 1 A 139 139 GLU HA H 161 4.176 4.206 -0.030 1
1 1211 . 10 1 1 A 139 139 GLU CA C 161 59.139 59.237 -0.098 1
1 1212 . 10 1 1 A 139 139 GLU CB C 161 28.417 29.299 -0.882 1
1 1214 . 10 1 1 A 139 139 GLU N N 161 119.510 118.574 0.936 1
1 1215 . 10 1 1 A 140 140 LYS H H 162 7.860 7.702 0.158 1
1 1216 . 10 1 1 A 140 140 LYS HA H 162 4.089 4.056 0.033 1
1 1225 . 10 1 1 A 140 140 LYS CA C 162 59.541 58.948 0.593 1
1 1226 . 10 1 1 A 140 140 LYS CB C 162 32.078 31.927 0.151 1
1 1230 . 10 1 1 A 140 140 LYS N N 162 120.614 119.280 1.334 1
1 1231 . 10 1 1 A 141 141 PHE H H 163 8.548 8.093 0.455 1
1 1232 . 10 1 1 A 141 141 PHE HA H 163 4.444 4.378 0.066 1
1 1235 . 10 1 1 A 141 141 PHE CA C 163 61.551 61.223 0.328 1
1 1236 . 10 1 1 A 141 141 PHE CB C 163 39.975 39.053 0.922 1
1 1237 . 10 1 1 A 141 141 PHE N N 163 119.075 120.463 -1.388 1
1 1238 . 10 1 1 A 142 142 THR H H 164 8.791 7.935 0.856 1
1 1239 . 10 1 1 A 142 142 THR HA H 164 3.721 4.165 -0.444 1
1 1244 . 10 1 1 A 142 142 THR CA C 164 67.495 65.716 1.779 1
1 1245 . 10 1 1 A 142 142 THR CB C 164 68.330 68.703 -0.373 1
1 1247 . 10 1 1 A 142 142 THR N N 164 120.224 114.864 5.360 1
1 1248 . 10 1 1 A 143 143 THR H H 165 8.536 8.779 -0.243 1
1 1249 . 10 1 1 A 143 143 THR HA H 165 3.764 3.985 -0.221 1
1 1254 . 10 1 1 A 143 143 THR CA C 165 66.989 66.832 0.157 1
1 1255 . 10 1 1 A 143 143 THR CB C 165 68.641 68.673 -0.032 1
1 1257 . 10 1 1 A 143 143 THR N N 165 118.456 117.709 0.747 1
1 1258 . 10 1 1 A 144 144 PHE H H 166 8.264 8.110 0.154 1
1 1259 . 10 1 1 A 144 144 PHE HA H 166 4.207 4.109 0.098 1
1 1264 . 10 1 1 A 144 144 PHE CA C 166 61.233 61.927 -0.694 1
1 1265 . 10 1 1 A 144 144 PHE CB C 166 39.772 38.888 0.884 1
1 1266 . 10 1 1 A 144 144 PHE N N 166 122.676 122.324 0.352 1
1 1267 . 10 1 1 A 145 145 SER H H 167 8.077 8.224 -0.147 1
1 1268 . 10 1 1 A 145 145 SER HA H 167 3.283 3.874 -0.591 1
1 1270 . 10 1 1 A 145 145 SER CA C 167 64.031 61.624 2.407 1
1 1271 . 10 1 1 A 145 145 SER CB C 167 62.339 62.843 -0.504 1
1 1272 . 10 1 1 A 145 145 SER N N 167 115.714 113.982 1.732 1
1 1273 . 10 1 1 A 146 146 LYS H H 168 8.000 7.660 0.340 1
1 1274 . 10 1 1 A 146 146 LYS HA H 168 4.434 4.074 0.360 1
1 1278 . 10 1 1 A 146 146 LYS CA C 168 58.915 58.931 -0.016 1
1 1279 . 10 1 1 A 146 146 LYS CB C 168 32.022 32.052 -0.030 1
1 1283 . 10 1 1 A 146 146 LYS N N 168 121.529 121.267 0.262 1
1 1284 . 10 1 1 A 147 147 ALA H H 169 7.726 7.800 -0.074 1
1 1285 . 10 1 1 A 147 147 ALA HA H 169 4.079 4.114 -0.035 1
1 1289 . 10 1 1 A 147 147 ALA CA C 169 54.255 54.762 -0.507 1
1 1290 . 10 1 1 A 147 147 ALA CB C 169 17.264 18.324 -1.060 1
1 1291 . 10 1 1 A 147 147 ALA N N 169 123.249 121.797 1.452 1
1 1292 . 10 1 1 A 148 148 GLN H H 170 7.058 7.521 -0.463 1
1 1293 . 10 1 1 A 148 148 GLN HA H 170 4.139 4.284 -0.145 1
1 1299 . 10 1 1 A 148 148 GLN CA C 170 53.091 55.934 -2.843 1
1 1300 . 10 1 1 A 148 148 GLN CB C 170 26.931 29.123 -2.192 1
1 1302 . 10 1 1 A 148 148 GLN N N 170 113.952 115.047 -1.095 1
1 1304 . 10 1 1 A 149 149 GLY H H 171 7.651 8.486 -0.835 1
1 1305 . 10 1 1 A 149 149 GLY HA2 H 171 3.650 3.926 -0.276 1
1 1306 . 10 1 1 A 149 149 GLY HA3 H 171 4.076 3.930 0.146 1
1 1307 . 10 1 1 A 149 149 GLY CA C 171 45.335 46.177 -0.842 1
1 1308 . 10 1 1 A 149 149 GLY N N 171 106.210 108.764 -2.554 1
1 1309 . 10 1 1 A 150 150 LEU H H 172 7.395 8.033 -0.638 1
1 1310 . 10 1 1 A 150 150 LEU HA H 172 4.543 4.858 -0.315 1
1 1319 . 10 1 1 A 150 150 LEU CA C 172 53.499 52.772 0.727 1
1 1320 . 10 1 1 A 150 150 LEU CB C 172 40.838 46.099 -5.261 1
1 1324 . 10 1 1 A 150 150 LEU N N 172 120.964 120.107 0.857 1
1 1325 . 10 1 1 A 151 151 THR H H 173 8.270 8.640 -0.370 1
1 1326 . 10 1 1 A 151 151 THR HA H 173 4.515 4.729 -0.214 1
1 1331 . 10 1 1 A 151 151 THR CA C 173 60.236 61.261 -1.025 1
1 1332 . 10 1 1 A 151 151 THR CB C 173 71.307 70.559 0.748 1
1 1334 . 10 1 1 A 151 151 THR N N 173 110.762 114.953 -4.191 1
1 1335 . 10 1 1 A 152 152 GLU H H 174 9.041 9.042 -0.001 1
1 1336 . 10 1 1 A 152 152 GLU HA H 174 3.908 4.070 -0.162 1
1 1340 . 10 1 1 A 152 152 GLU CA C 174 60.190 58.881 1.309 1
1 1341 . 10 1 1 A 152 152 GLU CB C 174 28.823 29.072 -0.249 1
1 1343 . 10 1 1 A 152 152 GLU N N 174 118.629 122.874 -4.245 1
1 1344 . 10 1 1 A 153 153 GLU H H 175 8.200 8.151 0.049 1
1 1345 . 10 1 1 A 153 153 GLU HA H 175 4.222 4.068 0.154 1
1 1349 . 10 1 1 A 153 153 GLU CA C 175 58.093 58.660 -0.567 1
1 1350 . 10 1 1 A 153 153 GLU CB C 175 28.697 29.518 -0.821 1
1 1352 . 10 1 1 A 153 153 GLU N N 175 115.885 120.400 -4.515 1
1 1353 . 10 1 1 A 154 154 ASP H H 176 7.833 7.655 0.178 1
1 1354 . 10 1 1 A 154 154 ASP HA H 176 4.873 4.531 0.342 1
1 1357 . 10 1 1 A 154 154 ASP CA C 176 53.936 55.857 -1.921 1
1 1358 . 10 1 1 A 154 154 ASP CB C 176 41.470 41.572 -0.102 1
1 1359 . 10 1 1 A 154 154 ASP N N 176 118.196 117.623 0.573 1
1 1360 . 10 1 1 A 155 155 ILE H H 177 7.007 7.793 -0.786 1
1 1361 . 10 1 1 A 155 155 ILE HA H 177 4.367 4.472 -0.105 1
1 1369 . 10 1 1 A 155 155 ILE CA C 177 61.493 59.124 2.369 1
1 1370 . 10 1 1 A 155 155 ILE CB C 177 40.374 41.497 -1.123 1
1 1374 . 10 1 1 A 155 155 ILE N N 177 117.852 119.022 -1.170 1
1 1375 . 10 1 1 A 156 156 VAL H H 178 9.203 8.811 0.392 1
1 1376 . 10 1 1 A 156 156 VAL HA H 178 4.544 4.528 0.016 1
1 1381 . 10 1 1 A 156 156 VAL CA C 178 60.448 61.181 -0.733 1
1 1382 . 10 1 1 A 156 156 VAL CB C 178 36.233 35.449 0.784 1
1 1384 . 10 1 1 A 156 156 VAL N N 178 126.166 124.604 1.562 1
1 1385 . 10 1 1 A 157 157 PHE H H 179 8.718 8.849 -0.131 1
1 1386 . 10 1 1 A 157 157 PHE HA H 179 5.010 4.990 0.020 1
1 1391 . 10 1 1 A 157 157 PHE CA C 179 58.363 56.907 1.456 1
1 1392 . 10 1 1 A 157 157 PHE CB C 179 38.344 39.594 -1.250 1
1 1394 . 10 1 1 A 157 157 PHE N N 179 124.905 125.843 -0.938 1
1 1395 . 10 1 1 A 158 158 LEU H H 180 7.459 8.755 -1.296 1
1 1396 . 10 1 1 A 158 158 LEU HA H 180 4.402 4.603 -0.201 1
1 1397 . 10 1 1 A 158 158 LEU CA C 180 53.074 52.985 0.089 1
1 1398 . 10 1 1 A 158 158 LEU CB C 180 41.738 41.660 0.078 1
1 1399 . 10 1 1 A 158 158 LEU N N 180 125.466 125.777 -0.311 1
1 1400 . 10 1 1 A 159 159 PRO HA H 181 4.771 4.713 0.058 1
1 1401 . 10 1 1 A 159 159 PRO CA C 181 61.916 62.198 -0.282 1
1 1402 . 10 1 1 A 159 159 PRO CB C 181 32.363 32.900 -0.537 1
1 1405 . 10 1 1 A 161 161 PRO HA H 183 4.666 4.756 -0.090 1
1 1409 . 10 1 1 A 161 161 PRO CA C 183 62.292 62.313 -0.021 1
1 1410 . 10 1 1 A 161 161 PRO CB C 183 33.337 33.290 0.047 1
1 1412 . 10 1 1 A 162 162 ASP H H 184 8.449 8.512 -0.063 1
1 1413 . 10 1 1 A 162 162 ASP HA H 184 4.467 4.799 -0.332 1
1 1416 . 10 1 1 A 162 162 ASP CA C 184 54.064 55.356 -1.292 1
1 1417 . 10 1 1 A 162 162 ASP CB C 184 39.919 41.332 -1.413 1
1 1418 . 10 1 1 A 162 162 ASP N N 184 117.032 117.906 -0.874 1
1 1419 . 10 1 1 A 163 163 LYS H H 185 7.195 7.615 -0.420 1
1 1420 . 10 1 1 A 163 163 LYS HA H 185 4.588 4.649 -0.061 1
1 1426 . 10 1 1 A 163 163 LYS CA C 185 55.499 55.977 -0.478 1
1 1427 . 10 1 1 A 163 163 LYS CB C 185 35.558 35.711 -0.153 1
1 1431 . 10 1 1 A 163 163 LYS N N 185 115.300 117.299 -1.999 1
1 1432 . 10 1 1 A 164 164 CYS H H 186 8.427 8.493 -0.066 1
1 1433 . 10 1 1 A 164 164 CYS HA H 186 4.313 4.941 -0.628 1
1 1436 . 10 1 1 A 164 164 CYS CA C 186 57.607 55.621 1.986 1
1 1437 . 10 1 1 A 164 164 CYS CB C 186 35.042 42.729 -7.687 1
1 1438 . 10 1 1 A 164 164 CYS N N 186 107.133 122.020 -14.887 1
1 1439 . 10 1 1 A 165 165 ILE H H 187 7.881 7.776 0.105 1
1 1440 . 10 1 1 A 165 165 ILE HA H 187 4.549 4.226 0.323 1
1 1450 . 10 1 1 A 165 165 ILE CA C 187 61.529 61.351 0.178 1
1 1451 . 10 1 1 A 165 165 ILE CB C 187 39.748 38.750 0.998 1
1 1455 . 10 1 1 A 165 165 ILE N N 187 113.570 122.096 -8.526 1
1 1456 . 10 1 1 A 166 166 GLN H H 188 8.308 7.692 0.616 1
1 1457 . 10 1 1 A 166 166 GLN HA H 188 4.303 4.339 -0.036 1
1 1462 . 10 1 1 A 166 166 GLN CA C 188 56.928 55.776 1.152 1
1 1463 . 10 1 1 A 166 166 GLN CB C 188 28.637 29.536 -0.899 1
1 1465 . 10 1 1 A 166 166 GLN N N 188 122.915 121.878 1.037 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 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 160 1.337 1
3 1 1 1 "RMS(OBS, PRED)" CB 148 1.671 1
4 1 1 1 "RMS(OBS, PRED)" H 152 0.620 1
5 1 1 1 "RMS(OBS, PRED)" HA 172 0.452 1
6 1 1 1 "RMS(OBS, PRED)" N 152 3.170 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 160 1.285 1
9 1 2 1 "RMS(OBS, PRED)" CB 148 1.702 1
10 1 2 1 "RMS(OBS, PRED)" H 152 0.643 1
11 1 2 1 "RMS(OBS, PRED)" HA 172 0.464 1
12 1 2 1 "RMS(OBS, PRED)" N 152 3.188 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 160 1.218 1
15 1 3 1 "RMS(OBS, PRED)" CB 148 1.785 1
16 1 3 1 "RMS(OBS, PRED)" H 152 0.628 1
17 1 3 1 "RMS(OBS, PRED)" HA 172 0.441 1
18 1 3 1 "RMS(OBS, PRED)" N 152 3.334 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 160 1.342 1
21 1 4 1 "RMS(OBS, PRED)" CB 148 1.631 1
22 1 4 1 "RMS(OBS, PRED)" H 152 0.610 1
23 1 4 1 "RMS(OBS, PRED)" HA 172 0.465 1
24 1 4 1 "RMS(OBS, PRED)" N 152 3.130 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 160 1.306 1
27 1 5 1 "RMS(OBS, PRED)" CB 148 1.690 1
28 1 5 1 "RMS(OBS, PRED)" H 152 0.641 1
29 1 5 1 "RMS(OBS, PRED)" HA 172 0.471 1
30 1 5 1 "RMS(OBS, PRED)" N 152 3.144 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 160 1.288 1
33 1 6 1 "RMS(OBS, PRED)" CB 148 1.617 1
34 1 6 1 "RMS(OBS, PRED)" H 152 0.653 1
35 1 6 1 "RMS(OBS, PRED)" HA 172 0.454 1
36 1 6 1 "RMS(OBS, PRED)" N 152 3.518 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 160 1.307 1
39 1 7 1 "RMS(OBS, PRED)" CB 148 1.564 1
40 1 7 1 "RMS(OBS, PRED)" H 152 0.636 1
41 1 7 1 "RMS(OBS, PRED)" HA 172 0.452 1
42 1 7 1 "RMS(OBS, PRED)" N 152 3.119 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 160 1.256 1
45 1 8 1 "RMS(OBS, PRED)" CB 148 1.628 1
46 1 8 1 "RMS(OBS, PRED)" H 152 0.664 1
47 1 8 1 "RMS(OBS, PRED)" HA 172 0.448 1
48 1 8 1 "RMS(OBS, PRED)" N 152 3.258 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 160 1.242 1
51 1 9 1 "RMS(OBS, PRED)" CB 148 1.763 1
52 1 9 1 "RMS(OBS, PRED)" H 152 0.642 1
53 1 9 1 "RMS(OBS, PRED)" HA 172 0.445 1
54 1 9 1 "RMS(OBS, PRED)" N 152 3.050 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 160 1.305 1
57 1 10 1 "RMS(OBS, PRED)" CB 148 1.724 1
58 1 10 1 "RMS(OBS, PRED)" H 152 0.647 1
59 1 10 1 "RMS(OBS, PRED)" HA 172 0.440 1
60 1 10 1 "RMS(OBS, PRED)" N 152 3.126 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 3 . 1 1 A 2 2 SER H H 24 8.695 8.416 0.279 2
1 4 . 1 1 A 2 2 SER HA H 24 4.531 4.598 -0.067 2
1 6 . 1 1 A 2 2 SER CA C 24 58.296 58.154 0.142 2
1 7 . 1 1 A 2 2 SER CB C 24 63.897 63.833 0.064 2
1 8 . 1 1 A 2 2 SER N N 24 115.751 115.828 -0.077 2
1 9 . 1 1 A 3 3 GLN H H 25 8.618 8.672 -0.054 2
1 10 . 1 1 A 3 3 GLN HA H 25 4.367 4.495 -0.129 2
1 14 . 1 1 A 3 3 GLN CA C 25 56.059 55.714 0.345 2
1 15 . 1 1 A 3 3 GLN CB C 25 29.248 30.010 -0.762 2
1 17 . 1 1 A 3 3 GLN N N 25 122.346 122.416 -0.070 2
1 18 . 1 1 A 4 4 GLY H H 26 8.431 8.448 -0.017 2
1 19 . 1 1 A 4 4 GLY HA2 H 26 3.904 4.092 -0.188 2
1 20 . 1 1 A 4 4 GLY CA C 26 45.171 45.447 -0.276 2
1 21 . 1 1 A 4 4 GLY N N 26 109.885 110.513 -0.627 2
1 22 . 1 1 A 5 5 HIS H H 27 8.342 8.268 0.074 2
1 23 . 1 1 A 5 5 HIS HA H 27 4.750 4.680 0.070 2
1 27 . 1 1 A 5 5 HIS CA C 27 54.946 55.946 -1.000 2
1 28 . 1 1 A 5 5 HIS CB C 27 29.344 30.401 -1.057 2
1 30 . 1 1 A 5 5 HIS N N 27 117.765 117.935 -0.170 2
1 31 . 1 1 A 6 6 ASP H H 28 8.518 8.075 0.443 2
1 32 . 1 1 A 6 6 ASP HA H 28 4.735 4.676 0.059 2
1 35 . 1 1 A 6 6 ASP CA C 28 54.282 53.775 0.507 2
1 36 . 1 1 A 6 6 ASP CB C 28 41.098 41.502 -0.404 2
1 37 . 1 1 A 6 6 ASP N N 28 121.910 118.155 3.755 2
1 38 . 1 1 A 7 7 THR H H 29 8.250 8.521 -0.271 2
1 39 . 1 1 A 7 7 THR HA H 29 4.343 4.236 0.107 2
1 44 . 1 1 A 7 7 THR CA C 29 62.124 64.664 -2.540 2
1 45 . 1 1 A 7 7 THR CB C 29 69.861 69.313 0.548 2
1 47 . 1 1 A 7 7 THR N N 29 116.925 116.538 0.387 2
1 48 . 1 1 A 8 8 VAL H H 30 7.798 7.792 0.007 2
1 49 . 1 1 A 8 8 VAL HA H 30 4.369 4.734 -0.365 2
1 54 . 1 1 A 8 8 VAL CA C 30 60.171 60.406 -0.235 2
1 55 . 1 1 A 8 8 VAL CB C 30 34.758 35.682 -0.924 2
1 57 . 1 1 A 8 8 VAL N N 30 119.837 118.982 0.855 2
1 58 . 1 1 A 9 9 GLN H H 31 8.472 8.518 -0.046 2
1 59 . 1 1 A 9 9 GLN HA H 31 4.383 4.753 -0.370 2
1 63 . 1 1 A 9 9 GLN CA C 31 53.204 52.755 0.449 2
1 64 . 1 1 A 9 9 GLN CB C 31 29.785 29.704 0.081 2
1 66 . 1 1 A 9 9 GLN N N 31 127.192 125.681 1.511 2
1 68 . 1 1 A 10 10 PRO HA H 32 4.426 4.599 -0.173 2
1 73 . 1 1 A 10 10 PRO CA C 32 63.431 62.897 0.534 2
1 74 . 1 1 A 10 10 PRO CB C 32 32.297 31.750 0.547 2
1 77 . 1 1 A 11 11 ASN H H 33 8.972 8.764 0.208 2
1 78 . 1 1 A 11 11 ASN HA H 33 4.539 4.877 -0.338 2
1 83 . 1 1 A 11 11 ASN CA C 33 53.563 53.203 0.360 2
1 84 . 1 1 A 11 11 ASN CB C 33 37.923 38.623 -0.700 2
1 85 . 1 1 A 11 11 ASN N N 33 119.013 119.537 -0.524 2
1 87 . 1 1 A 12 12 PHE H H 34 7.996 8.663 -0.667 2
1 88 . 1 1 A 12 12 PHE HA H 34 4.186 5.154 -0.968 2
1 91 . 1 1 A 12 12 PHE CA C 34 59.402 56.941 2.461 2
1 92 . 1 1 A 12 12 PHE CB C 34 39.516 40.806 -1.290 2
1 93 . 1 1 A 12 12 PHE N N 34 119.073 122.922 -3.849 2
1 94 . 1 1 A 13 13 GLN H H 35 7.402 8.805 -1.403 2
1 95 . 1 1 A 13 13 GLN HA H 35 4.303 4.656 -0.353 2
1 101 . 1 1 A 13 13 GLN CA C 35 53.093 54.831 -1.738 2
1 102 . 1 1 A 13 13 GLN CB C 35 29.598 30.691 -1.093 2
1 104 . 1 1 A 13 13 GLN N N 35 128.226 124.053 4.173 2
1 106 . 1 1 A 14 14 GLN H H 36 8.736 8.924 -0.188 2
1 107 . 1 1 A 14 14 GLN HA H 36 3.503 4.059 -0.556 2
1 110 . 1 1 A 14 14 GLN CA C 36 60.089 59.050 1.039 2
1 111 . 1 1 A 14 14 GLN CB C 36 29.596 28.260 1.336 2
1 113 . 1 1 A 14 14 GLN N N 36 124.702 122.872 1.830 2
1 114 . 1 1 A 15 15 ASP H H 37 8.628 8.344 0.284 2
1 115 . 1 1 A 15 15 ASP HA H 37 4.229 4.452 -0.223 2
1 118 . 1 1 A 15 15 ASP CA C 37 56.326 57.121 -0.795 2
1 119 . 1 1 A 15 15 ASP CB C 37 39.182 40.600 -1.418 2
1 120 . 1 1 A 15 15 ASP N N 37 114.027 119.691 -5.664 2
1 121 . 1 1 A 16 16 LYS H H 38 6.859 7.865 -1.006 2
1 122 . 1 1 A 16 16 LYS HA H 38 4.060 4.200 -0.140 2
1 124 . 1 1 A 16 16 LYS CA C 38 56.445 58.740 -2.295 2
1 125 . 1 1 A 16 16 LYS CB C 38 31.077 31.996 -0.919 2
1 129 . 1 1 A 16 16 LYS N N 38 116.638 120.128 -3.490 2
1 130 . 1 1 A 17 17 PHE H H 39 7.454 7.811 -0.357 2
1 131 . 1 1 A 17 17 PHE HA H 39 4.822 4.338 0.484 2
1 135 . 1 1 A 17 17 PHE CA C 39 57.301 60.494 -3.193 2
1 136 . 1 1 A 17 17 PHE CB C 39 42.087 39.431 2.656 2
1 137 . 1 1 A 17 17 PHE N N 39 119.221 118.134 1.087 2
1 138 . 1 1 A 18 18 LEU H H 40 6.674 7.646 -0.972 2
1 139 . 1 1 A 18 18 LEU HA H 40 3.911 5.131 -1.220 2
1 149 . 1 1 A 18 18 LEU CA C 40 54.860 53.806 1.054 2
1 150 . 1 1 A 18 18 LEU CB C 40 42.421 44.075 -1.654 2
1 154 . 1 1 A 18 18 LEU N N 40 112.003 115.767 -3.764 2
1 155 . 1 1 A 19 19 GLY H H 41 8.876 8.196 0.680 2
1 156 . 1 1 A 19 19 GLY HA2 H 41 3.718 4.074 -0.356 2
1 157 . 1 1 A 19 19 GLY HA3 H 41 4.341 4.122 0.218 2
1 158 . 1 1 A 19 19 GLY CA C 41 44.093 45.671 -1.578 2
1 159 . 1 1 A 19 19 GLY N N 41 107.870 107.983 -0.113 2
1 160 . 1 1 A 20 20 ARG H H 42 8.678 8.215 0.463 2
1 161 . 1 1 A 20 20 ARG HA H 42 4.495 4.571 -0.076 2
1 163 . 1 1 A 20 20 ARG CA C 42 56.924 55.749 1.175 2
1 164 . 1 1 A 20 20 ARG CB C 42 30.828 31.176 -0.348 2
1 165 . 1 1 A 20 20 ARG N N 42 121.873 119.406 2.467 2
1 166 . 1 1 A 21 21 TRP H H 43 9.320 9.312 0.008 2
1 167 . 1 1 A 21 21 TRP HA H 43 4.685 5.190 -0.505 2
1 171 . 1 1 A 21 21 TRP CA C 43 55.343 55.848 -0.505 2
1 172 . 1 1 A 21 21 TRP CB C 43 34.550 33.945 0.605 2
1 174 . 1 1 A 21 21 TRP N N 43 130.676 123.526 7.150 2
1 176 . 1 1 A 22 22 TYR H H 44 9.661 9.204 0.457 2
1 177 . 1 1 A 22 22 TYR HA H 44 5.607 5.105 0.502 2
1 182 . 1 1 A 22 22 TYR CA C 44 56.782 56.607 0.175 2
1 183 . 1 1 A 22 22 TYR CB C 44 39.975 41.266 -1.291 2
1 186 . 1 1 A 22 22 TYR N N 44 117.926 121.045 -3.119 2
1 187 . 1 1 A 23 23 SER H H 45 9.249 8.559 0.690 2
1 188 . 1 1 A 23 23 SER HA H 45 4.705 4.135 0.570 2
1 191 . 1 1 A 23 23 SER CA C 45 57.060 58.707 -1.647 2
1 192 . 1 1 A 23 23 SER CB C 45 62.668 62.655 0.013 2
1 193 . 1 1 A 23 23 SER N N 45 119.038 120.260 -1.223 2
1 194 . 1 1 A 24 24 ALA H H 46 8.724 7.981 0.743 2
1 195 . 1 1 A 24 24 ALA HA H 46 4.877 4.619 0.258 2
1 199 . 1 1 A 24 24 ALA CA C 46 51.953 50.906 1.047 2
1 200 . 1 1 A 24 24 ALA CB C 46 22.855 21.871 0.984 2
1 201 . 1 1 A 24 24 ALA N N 46 126.183 127.214 -1.031 2
1 202 . 1 1 A 25 25 GLY H H 47 7.820 8.578 -0.758 2
1 203 . 1 1 A 25 25 GLY HA2 H 47 2.841 3.236 -0.395 2
1 204 . 1 1 A 25 25 GLY HA3 H 47 4.943 3.471 1.472 2
1 205 . 1 1 A 25 25 GLY CA C 47 45.285 45.828 -0.543 2
1 206 . 1 1 A 25 25 GLY N N 47 107.738 107.480 0.258 2
1 207 . 1 1 A 26 26 LEU H H 48 9.082 7.952 1.130 2
1 208 . 1 1 A 26 26 LEU HA H 48 5.454 4.831 0.623 2
1 217 . 1 1 A 26 26 LEU CA C 48 54.277 53.480 0.797 2
1 218 . 1 1 A 26 26 LEU CB C 48 49.097 45.488 3.609 2
1 222 . 1 1 A 26 26 LEU N N 48 125.132 125.284 -0.152 2
1 223 . 1 1 A 27 27 ALA H H 49 8.854 8.325 0.530 2
1 224 . 1 1 A 27 27 ALA HA H 49 5.571 5.324 0.247 2
1 228 . 1 1 A 27 27 ALA CA C 49 50.788 51.110 -0.322 2
1 229 . 1 1 A 27 27 ALA CB C 49 24.289 22.477 1.812 2
1 230 . 1 1 A 27 27 ALA N N 49 123.650 125.595 -1.945 2
1 231 . 1 1 A 28 28 SER H H 50 7.321 8.489 -1.168 2
1 232 . 1 1 A 28 28 SER HA H 50 4.625 4.904 -0.279 2
1 235 . 1 1 A 28 28 SER CA C 50 56.119 56.689 -0.570 2
1 236 . 1 1 A 28 28 SER CB C 50 64.886 66.255 -1.369 2
1 237 . 1 1 A 28 28 SER N N 50 113.858 116.550 -2.693 2
1 238 . 1 1 A 29 29 ASN H H 51 7.743 8.648 -0.905 2
1 239 . 1 1 A 29 29 ASN HA H 51 4.809 4.640 0.169 2
1 244 . 1 1 A 29 29 ASN CA C 51 51.651 56.327 -4.676 2
1 245 . 1 1 A 29 29 ASN CB C 51 37.860 38.389 -0.529 2
1 246 . 1 1 A 29 29 ASN N N 51 120.399 122.888 -2.489 2
1 248 . 1 1 A 30 30 SER H H 52 8.156 8.088 0.068 2
1 249 . 1 1 A 30 30 SER HA H 52 4.460 4.608 -0.148 2
1 252 . 1 1 A 30 30 SER CA C 52 58.432 58.421 0.011 2
1 253 . 1 1 A 30 30 SER CB C 52 64.745 64.675 0.070 2
1 254 . 1 1 A 30 30 SER N N 52 116.012 114.620 1.392 2
1 255 . 1 1 A 31 31 SER H H 53 9.142 8.657 0.485 2
1 256 . 1 1 A 31 31 SER HA H 53 4.003 4.737 -0.734 2
1 258 . 1 1 A 31 31 SER N N 53 120.999 117.123 3.876 2
1 259 . 1 1 A 32 32 TRP H H 54 8.030 7.879 0.151 2
1 260 . 1 1 A 32 32 TRP HA H 54 4.329 4.305 0.024 2
1 265 . 1 1 A 32 32 TRP CA C 54 60.082 60.922 -0.840 2
1 266 . 1 1 A 32 32 TRP CB C 54 28.641 29.403 -0.762 2
1 268 . 1 1 A 32 32 TRP N N 54 121.477 122.907 -1.430 2
1 270 . 1 1 A 33 33 PHE H H 55 7.333 8.417 -1.084 2
1 271 . 1 1 A 33 33 PHE HA H 55 3.603 4.230 -0.627 2
1 275 . 1 1 A 33 33 PHE CA C 55 61.288 61.903 -0.615 2
1 276 . 1 1 A 33 33 PHE CB C 55 39.446 38.595 0.851 2
1 278 . 1 1 A 33 33 PHE N N 55 120.174 118.968 1.206 2
1 279 . 1 1 A 34 34 ARG H H 56 7.860 8.146 -0.286 2
1 280 . 1 1 A 34 34 ARG HA H 56 3.721 3.986 -0.266 2
1 285 . 1 1 A 34 34 ARG CA C 56 59.457 59.598 -0.141 2
1 286 . 1 1 A 34 34 ARG CB C 56 30.014 29.889 0.125 2
1 289 . 1 1 A 34 34 ARG N N 56 117.452 119.437 -1.985 2
1 290 . 1 1 A 35 35 GLU H H 57 7.715 7.799 -0.084 2
1 291 . 1 1 A 35 35 GLU HA H 57 4.100 4.082 0.018 2
1 295 . 1 1 A 35 35 GLU CA C 57 57.997 58.763 -0.766 2
1 296 . 1 1 A 35 35 GLU CB C 57 29.970 29.341 0.629 2
1 298 . 1 1 A 35 35 GLU N N 57 116.049 119.237 -3.188 2
1 299 . 1 1 A 36 36 LYS H H 58 7.614 7.842 -0.228 2
1 300 . 1 1 A 36 36 LYS HA H 58 4.225 4.347 -0.122 2
1 305 . 1 1 A 36 36 LYS CA C 58 55.355 56.707 -1.352 2
1 306 . 1 1 A 36 36 LYS CB C 58 32.528 32.718 -0.190 2
1 310 . 1 1 A 36 36 LYS N N 58 116.955 118.550 -1.595 2
1 311 . 1 1 A 37 37 LYS H H 59 7.546 7.989 -0.443 2
1 312 . 1 1 A 37 37 LYS HA H 59 3.403 4.054 -0.652 2
1 315 . 1 1 A 37 37 LYS CA C 59 59.757 58.703 1.054 2
1 316 . 1 1 A 37 37 LYS CB C 59 31.569 32.101 -0.532 2
1 320 . 1 1 A 37 37 LYS N N 59 118.551 120.332 -1.781 2
1 321 . 1 1 A 38 38 ALA H H 60 7.940 7.948 -0.008 2
1 322 . 1 1 A 38 38 ALA HA H 60 4.215 4.109 0.105 2
1 326 . 1 1 A 38 38 ALA CA C 60 53.352 54.424 -1.072 2
1 327 . 1 1 A 38 38 ALA CB C 60 19.247 18.408 0.839 2
1 328 . 1 1 A 38 38 ALA N N 60 118.227 121.328 -3.101 2
1 329 . 1 1 A 39 39 VAL H H 61 7.917 7.633 0.284 2
1 330 . 1 1 A 39 39 VAL HA H 61 4.466 4.151 0.315 2
1 338 . 1 1 A 39 39 VAL CA C 61 60.339 64.223 -3.884 2
1 339 . 1 1 A 39 39 VAL CB C 61 31.626 32.455 -0.829 2
1 342 . 1 1 A 39 39 VAL N N 61 111.011 113.953 -2.942 2
1 343 . 1 1 A 40 40 LEU H H 62 6.773 7.860 -1.087 2
1 344 . 1 1 A 40 40 LEU HA H 62 4.495 3.984 0.511 2
1 350 . 1 1 A 40 40 LEU CA C 62 54.357 55.544 -1.187 2
1 351 . 1 1 A 40 40 LEU CB C 62 43.272 40.792 2.479 2
1 353 . 1 1 A 40 40 LEU N N 62 121.749 121.627 0.122 2
1 354 . 1 1 A 41 41 TYR H H 63 8.277 8.057 0.220 2
1 355 . 1 1 A 41 41 TYR HA H 63 4.837 5.548 -0.711 2
1 358 . 1 1 A 41 41 TYR CA C 63 56.696 55.684 1.012 2
1 359 . 1 1 A 41 41 TYR CB C 63 42.753 41.819 0.934 2
1 360 . 1 1 A 41 41 TYR N N 63 118.215 121.565 -3.350 2
1 361 . 1 1 A 42 42 MET H H 64 8.749 9.052 -0.303 2
1 362 . 1 1 A 42 42 MET HA H 64 4.324 5.228 -0.904 2
1 368 . 1 1 A 42 42 MET CA C 64 57.707 54.236 3.471 2
1 369 . 1 1 A 42 42 MET CB C 64 35.348 35.616 -0.268 2
1 372 . 1 1 A 42 42 MET N N 64 122.104 122.251 -0.147 2
1 373 . 1 1 A 43 43 ALA H H 65 7.715 9.225 -1.510 2
1 374 . 1 1 A 43 43 ALA HA H 65 5.260 5.571 -0.311 2
1 378 . 1 1 A 43 43 ALA CA C 65 50.030 50.114 -0.084 2
1 379 . 1 1 A 43 43 ALA CB C 65 22.614 22.156 0.458 2
1 380 . 1 1 A 43 43 ALA N N 65 126.545 128.110 -1.565 2
1 381 . 1 1 A 44 44 LYS H H 66 8.405 9.532 -1.127 2
1 382 . 1 1 A 44 44 LYS HA H 66 4.790 4.719 0.071 2
1 385 . 1 1 A 44 44 LYS CA C 66 55.700 55.306 0.394 2
1 386 . 1 1 A 44 44 LYS CB C 66 34.887 33.321 1.566 2
1 387 . 1 1 A 44 44 LYS N N 66 122.330 122.599 -0.269 2
1 388 . 1 1 A 45 45 THR H H 67 9.398 8.610 0.788 2
1 389 . 1 1 A 45 45 THR HA H 67 5.067 5.443 -0.376 2
1 394 . 1 1 A 45 45 THR CA C 67 62.069 61.761 0.308 2
1 395 . 1 1 A 45 45 THR CB C 67 72.034 70.527 1.507 2
1 397 . 1 1 A 45 45 THR N N 67 125.471 120.647 4.824 2
1 398 . 1 1 A 46 46 VAL H H 68 9.026 8.635 0.391 2
1 399 . 1 1 A 46 46 VAL HA H 68 4.510 4.998 -0.488 2
1 404 . 1 1 A 46 46 VAL CA C 68 61.532 61.102 0.430 2
1 405 . 1 1 A 46 46 VAL CB C 68 33.257 34.788 -1.531 2
1 407 . 1 1 A 46 46 VAL N N 68 126.960 125.503 1.457 2
1 408 . 1 1 A 47 47 VAL H H 69 9.346 8.782 0.564 2
1 409 . 1 1 A 47 47 VAL HA H 69 4.700 4.603 0.097 2
1 417 . 1 1 A 47 47 VAL CA C 69 61.990 61.560 0.430 2
1 418 . 1 1 A 47 47 VAL CB C 69 32.495 32.544 -0.049 2
1 421 . 1 1 A 47 47 VAL N N 69 130.792 129.012 1.780 2
1 422 . 1 1 A 48 48 ALA H H 70 9.268 9.100 0.168 2
1 423 . 1 1 A 48 48 ALA HA H 70 5.121 4.811 0.310 2
1 427 . 1 1 A 48 48 ALA CA C 70 49.710 49.216 0.494 2
1 428 . 1 1 A 48 48 ALA CB C 70 21.349 21.238 0.111 2
1 429 . 1 1 A 48 48 ALA N N 70 133.796 130.048 3.748 2
1 430 . 1 1 A 49 49 PRO HA H 71 4.842 4.928 -0.086 2
1 433 . 1 1 A 49 49 PRO CA C 71 63.040 63.142 -0.102 2
1 434 . 1 1 A 49 49 PRO CB C 71 32.195 31.901 0.294 2
1 437 . 1 1 A 50 50 SER H H 72 8.025 9.088 -1.063 2
1 438 . 1 1 A 50 50 SER HA H 72 4.914 4.892 0.022 2
1 441 . 1 1 A 50 50 SER CA C 72 55.615 56.857 -1.242 2
1 442 . 1 1 A 50 50 SER CB C 72 65.439 65.832 -0.393 2
1 443 . 1 1 A 50 50 SER N N 72 117.492 117.646 -0.154 2
1 444 . 1 1 A 51 51 THR H H 73 8.730 9.077 -0.347 2
1 445 . 1 1 A 51 51 THR HA H 73 4.145 4.172 -0.027 2
1 450 . 1 1 A 51 51 THR CA C 73 64.544 65.320 -0.776 2
1 451 . 1 1 A 51 51 THR CB C 73 68.785 68.533 0.252 2
1 453 . 1 1 A 51 51 THR N N 73 116.878 118.247 -1.369 2
1 454 . 1 1 A 52 52 GLU H H 74 8.151 7.845 0.306 2
1 455 . 1 1 A 52 52 GLU HA H 74 4.475 4.359 0.116 2
1 459 . 1 1 A 52 52 GLU CA C 74 56.422 56.437 -0.015 2
1 460 . 1 1 A 52 52 GLU CB C 74 28.860 30.009 -1.149 2
1 462 . 1 1 A 52 52 GLU N N 74 118.204 119.503 -1.299 2
1 463 . 1 1 A 53 53 GLY H H 75 7.778 8.253 -0.475 2
1 464 . 1 1 A 53 53 GLY HA2 H 75 3.864 3.982 -0.118 2
1 465 . 1 1 A 53 53 GLY HA3 H 75 4.446 3.990 0.456 2
1 466 . 1 1 A 53 53 GLY CA C 75 45.501 45.714 -0.213 2
1 467 . 1 1 A 53 53 GLY N N 75 106.348 108.503 -2.155 2
1 468 . 1 1 A 54 54 GLY H H 76 7.775 7.990 -0.215 2
1 469 . 1 1 A 54 54 GLY HA2 H 76 4.177 4.111 0.066 2
1 470 . 1 1 A 54 54 GLY HA3 H 76 4.677 4.144 0.533 2
1 471 . 1 1 A 54 54 GLY CA C 76 43.906 45.492 -1.586 2
1 472 . 1 1 A 54 54 GLY N N 76 108.460 107.689 0.771 2
1 473 . 1 1 A 55 55 LEU H H 77 8.311 8.162 0.149 2
1 474 . 1 1 A 55 55 LEU HA H 77 5.116 5.293 -0.176 2
1 477 . 1 1 A 55 55 LEU CA C 77 53.425 53.255 0.170 2
1 478 . 1 1 A 55 55 LEU CB C 77 47.604 45.694 1.910 2
1 479 . 1 1 A 55 55 LEU N N 77 120.236 122.289 -2.053 2
1 480 . 1 1 A 56 56 ASN H H 78 9.424 9.877 -0.453 2
1 481 . 1 1 A 56 56 ASN HA H 78 5.149 5.395 -0.246 2
1 485 . 1 1 A 56 56 ASN CA C 78 52.316 51.961 0.355 2
1 486 . 1 1 A 56 56 ASN CB C 78 40.839 40.367 0.472 2
1 487 . 1 1 A 56 56 ASN N N 78 120.305 120.586 -0.281 2
1 489 . 1 1 A 57 57 LEU H H 79 9.259 8.354 0.905 2
1 490 . 1 1 A 57 57 LEU HA H 79 4.903 5.810 -0.907 2
1 491 . 1 1 A 57 57 LEU CA C 79 54.713 54.034 0.679 2
1 492 . 1 1 A 57 57 LEU CB C 79 42.533 42.528 0.005 2
1 493 . 1 1 A 57 57 LEU N N 79 127.309 124.010 3.299 2
1 494 . 1 1 A 58 58 THR H H 80 8.973 9.634 -0.661 2
1 495 . 1 1 A 58 58 THR HA H 80 4.941 5.050 -0.109 2
1 500 . 1 1 A 58 58 THR CA C 80 62.501 61.904 0.597 2
1 501 . 1 1 A 58 58 THR CB C 80 68.984 69.644 -0.660 2
1 503 . 1 1 A 58 58 THR N N 80 122.763 121.317 1.446 2
1 504 . 1 1 A 59 59 SER H H 81 9.549 8.885 0.664 2
1 505 . 1 1 A 59 59 SER HA H 81 6.045 5.960 0.085 2
1 507 . 1 1 A 59 59 SER CA C 81 57.242 56.730 0.512 2
1 508 . 1 1 A 59 59 SER CB C 81 65.536 64.621 0.915 2
1 509 . 1 1 A 59 59 SER N N 81 126.425 121.653 4.772 2
1 510 . 1 1 A 60 60 THR H H 82 9.332 9.152 0.180 2
1 511 . 1 1 A 60 60 THR HA H 82 5.464 5.310 0.154 2
1 516 . 1 1 A 60 60 THR CA C 82 61.719 60.482 1.237 2
1 517 . 1 1 A 60 60 THR CB C 82 70.846 70.801 0.045 2
1 519 . 1 1 A 60 60 THR N N 82 121.445 116.057 5.388 2
1 520 . 1 1 A 61 61 PHE H H 83 8.794 8.183 0.611 2
1 521 . 1 1 A 61 61 PHE HA H 83 5.266 6.889 -1.623 2
1 525 . 1 1 A 61 61 PHE CA C 83 54.698 55.123 -0.425 2
1 526 . 1 1 A 61 61 PHE CB C 83 42.327 42.706 -0.379 2
1 528 . 1 1 A 61 61 PHE N N 83 121.707 119.945 1.762 2
1 529 . 1 1 A 62 62 LEU H H 84 8.915 8.604 0.310 2
1 530 . 1 1 A 62 62 LEU HA H 84 4.885 5.452 -0.567 2
1 540 . 1 1 A 62 62 LEU CA C 84 54.447 53.734 0.713 2
1 541 . 1 1 A 62 62 LEU CB C 84 43.627 44.915 -1.288 2
1 545 . 1 1 A 62 62 LEU N N 84 122.160 122.865 -0.706 2
1 546 . 1 1 A 63 63 ARG H H 85 9.213 9.454 -0.241 2
1 547 . 1 1 A 63 63 ARG HA H 85 4.645 5.013 -0.368 2
1 551 . 1 1 A 63 63 ARG CA C 85 56.244 54.878 1.366 2
1 552 . 1 1 A 63 63 ARG CB C 85 32.551 32.377 0.174 2
1 555 . 1 1 A 63 63 ARG N N 85 128.889 125.719 3.170 2
1 556 . 1 1 A 64 64 LYS H H 86 9.466 9.547 -0.081 2
1 557 . 1 1 A 64 64 LYS HA H 86 3.869 3.981 -0.112 2
1 563 . 1 1 A 64 64 LYS CA C 86 58.497 57.554 0.943 2
1 564 . 1 1 A 64 64 LYS CB C 86 30.202 30.907 -0.705 2
1 568 . 1 1 A 64 64 LYS N N 86 127.634 120.402 7.232 2
1 569 . 1 1 A 65 65 ASN H H 87 8.648 8.620 0.028 2
1 570 . 1 1 A 65 65 ASN HA H 87 4.500 4.329 0.171 2
1 575 . 1 1 A 65 65 ASN CA C 87 54.059 54.522 -0.463 2
1 576 . 1 1 A 65 65 ASN CB C 87 38.861 37.480 1.381 2
1 577 . 1 1 A 65 65 ASN N N 87 113.645 111.276 2.369 2
1 579 . 1 1 A 66 66 GLN H H 88 8.009 7.645 0.364 2
1 580 . 1 1 A 66 66 GLN HA H 88 4.720 4.808 -0.088 2
1 586 . 1 1 A 66 66 GLN CA C 88 53.951 54.752 -0.801 2
1 587 . 1 1 A 66 66 GLN CB C 88 32.360 31.284 1.076 2
1 589 . 1 1 A 66 66 GLN N N 88 118.506 116.537 1.969 2
1 591 . 1 1 A 67 67 CYS H H 89 8.712 8.996 -0.284 2
1 592 . 1 1 A 67 67 CYS HA H 89 5.398 5.598 -0.200 2
1 595 . 1 1 A 67 67 CYS CA C 89 52.821 54.292 -1.471 2
1 596 . 1 1 A 67 67 CYS CB C 89 36.780 44.940 -8.160 2
1 597 . 1 1 A 67 67 CYS N N 89 119.694 124.186 -4.492 2
1 598 . 1 1 A 68 68 GLU H H 90 9.083 8.357 0.726 2
1 599 . 1 1 A 68 68 GLU HA H 90 4.568 4.867 -0.299 2
1 603 . 1 1 A 68 68 GLU CA C 90 54.905 54.553 0.352 2
1 604 . 1 1 A 68 68 GLU CB C 90 33.372 33.552 -0.180 2
1 606 . 1 1 A 68 68 GLU N N 90 126.906 125.194 1.712 2
1 607 . 1 1 A 69 69 THR H H 91 8.233 8.524 -0.291 2
1 608 . 1 1 A 69 69 THR HA H 91 5.721 5.004 0.717 2
1 613 . 1 1 A 69 69 THR CA C 91 60.732 60.418 0.314 2
1 614 . 1 1 A 69 69 THR CB C 91 71.796 71.338 0.458 2
1 616 . 1 1 A 69 69 THR N N 91 115.413 117.173 -1.760 2
1 617 . 1 1 A 70 70 LYS H H 92 9.232 8.555 0.677 2
1 618 . 1 1 A 70 70 LYS HA H 92 4.847 4.978 -0.131 2
1 624 . 1 1 A 70 70 LYS CA C 92 54.766 54.919 -0.153 2
1 625 . 1 1 A 70 70 LYS CB C 92 36.982 36.112 0.870 2
1 629 . 1 1 A 70 70 LYS N N 92 125.378 125.319 0.059 2
1 630 . 1 1 A 71 71 ILE H H 93 8.751 8.973 -0.222 2
1 631 . 1 1 A 71 71 ILE HA H 93 5.101 4.809 0.291 2
1 641 . 1 1 A 71 71 ILE CA C 93 60.391 60.069 0.322 2
1 642 . 1 1 A 71 71 ILE CB C 93 40.534 39.723 0.811 2
1 646 . 1 1 A 71 71 ILE N N 93 124.290 126.613 -2.323 2
1 647 . 1 1 A 72 72 MET H H 94 9.003 8.821 0.182 2
1 648 . 1 1 A 72 72 MET HA H 94 4.775 5.209 -0.434 2
1 651 . 1 1 A 72 72 MET CA C 94 54.673 54.277 0.396 2
1 652 . 1 1 A 72 72 MET CB C 94 36.889 35.899 0.990 2
1 654 . 1 1 A 72 72 MET N N 94 127.651 126.556 1.095 2
1 655 . 1 1 A 73 73 VAL H H 95 8.607 9.120 -0.513 2
1 656 . 1 1 A 73 73 VAL HA H 95 4.740 4.799 -0.059 2
1 661 . 1 1 A 73 73 VAL CA C 95 62.080 61.066 1.014 2
1 662 . 1 1 A 73 73 VAL CB C 95 33.333 33.646 -0.313 2
1 664 . 1 1 A 73 73 VAL N N 95 125.436 125.378 0.058 2
1 665 . 1 1 A 74 74 LEU H H 96 9.278 8.955 0.323 2
1 666 . 1 1 A 74 74 LEU HA H 96 5.089 5.307 -0.218 2
1 668 . 1 1 A 74 74 LEU CA C 96 53.117 53.200 -0.083 2
1 669 . 1 1 A 74 74 LEU CB C 96 42.342 44.867 -2.525 2
1 670 . 1 1 A 74 74 LEU N N 96 127.760 129.184 -1.424 2
1 671 . 1 1 A 75 75 GLN H H 97 9.280 8.788 0.492 2
1 672 . 1 1 A 75 75 GLN HA H 97 5.018 4.967 0.051 2
1 675 . 1 1 A 75 75 GLN CA C 97 53.326 52.557 0.769 2
1 676 . 1 1 A 75 75 GLN CB C 97 29.255 30.397 -1.142 2
1 678 . 1 1 A 75 75 GLN N N 97 125.135 124.416 0.719 2
1 679 . 1 1 A 76 76 PRO HA H 98 4.407 4.198 0.209 2
1 682 . 1 1 A 76 76 PRO CA C 98 64.216 62.817 1.399 2
1 683 . 1 1 A 76 76 PRO CB C 98 32.365 32.341 0.024 2
1 684 . 1 1 A 77 77 ALA H H 99 8.021 8.059 -0.038 2
1 685 . 1 1 A 77 77 ALA HA H 99 4.691 4.572 0.119 2
1 689 . 1 1 A 77 77 ALA CA C 99 50.927 51.238 -0.311 2
1 690 . 1 1 A 77 77 ALA CB C 99 20.003 19.135 0.868 2
1 691 . 1 1 A 77 77 ALA N N 99 126.607 125.505 1.102 2
1 692 . 1 1 A 78 78 GLY H H 100 8.185 8.100 0.085 2
1 693 . 1 1 A 78 78 GLY HA2 H 100 3.560 3.877 -0.317 2
1 694 . 1 1 A 78 78 GLY HA3 H 100 4.211 3.885 0.326 2
1 695 . 1 1 A 78 78 GLY CA C 100 45.692 46.766 -1.074 2
1 696 . 1 1 A 78 78 GLY N N 100 109.388 107.457 1.931 2
1 697 . 1 1 A 79 79 ALA H H 101 8.074 7.707 0.367 2
1 698 . 1 1 A 79 79 ALA HA H 101 4.624 4.487 0.137 2
1 702 . 1 1 A 79 79 ALA CA C 101 50.576 50.686 -0.110 2
1 703 . 1 1 A 79 79 ALA CB C 101 18.277 19.109 -0.832 2
1 704 . 1 1 A 79 79 ALA N N 101 126.934 126.557 0.377 2
1 705 . 1 1 A 80 80 PRO HA H 102 4.425 4.186 0.239 2
1 707 . 1 1 A 80 80 PRO CA C 102 63.915 63.656 0.259 2
1 708 . 1 1 A 80 80 PRO CB C 102 32.093 31.943 0.150 2
1 711 . 1 1 A 81 81 GLY H H 103 8.227 8.797 -0.570 2
1 712 . 1 1 A 81 81 GLY HA2 H 103 2.428 3.876 -1.448 2
1 713 . 1 1 A 81 81 GLY HA3 H 103 3.673 3.984 -0.311 2
1 714 . 1 1 A 81 81 GLY CA C 103 44.671 45.363 -0.692 2
1 715 . 1 1 A 81 81 GLY N N 103 111.362 111.373 -0.011 2
1 716 . 1 1 A 82 82 HIS H H 104 7.610 7.646 -0.036 2
1 717 . 1 1 A 82 82 HIS HA H 104 5.169 4.857 0.312 2
1 721 . 1 1 A 82 82 HIS CA C 104 54.457 55.035 -0.578 2
1 722 . 1 1 A 82 82 HIS CB C 104 29.867 32.188 -2.321 2
1 724 . 1 1 A 82 82 HIS N N 104 117.393 117.868 -0.475 2
1 725 . 1 1 A 83 83 TYR H H 105 9.164 8.493 0.671 2
1 726 . 1 1 A 83 83 TYR HA H 105 5.465 5.210 0.255 2
1 730 . 1 1 A 83 83 TYR CA C 105 56.894 56.151 0.743 2
1 731 . 1 1 A 83 83 TYR CB C 105 44.686 42.865 1.821 2
1 733 . 1 1 A 83 83 TYR N N 105 122.473 120.823 1.649 2
1 734 . 1 1 A 84 84 THR H H 106 9.475 8.986 0.489 2
1 735 . 1 1 A 84 84 THR HA H 106 5.439 5.185 0.254 2
1 740 . 1 1 A 84 84 THR CA C 106 60.469 60.270 0.200 2
1 741 . 1 1 A 84 84 THR CB C 106 72.344 71.826 0.518 2
1 743 . 1 1 A 84 84 THR N N 106 112.202 113.280 -1.078 2
1 744 . 1 1 A 85 85 TYR H H 107 8.723 8.388 0.335 2
1 745 . 1 1 A 85 85 TYR HA H 107 5.239 5.715 -0.476 2
1 749 . 1 1 A 85 85 TYR CA C 107 56.392 55.681 0.711 2
1 750 . 1 1 A 85 85 TYR CB C 107 41.653 42.203 -0.550 2
1 751 . 1 1 A 85 85 TYR N N 107 118.519 121.120 -2.601 2
1 752 . 1 1 A 86 86 SER H H 108 8.509 8.962 -0.453 2
1 753 . 1 1 A 86 86 SER HA H 108 4.564 5.076 -0.512 2
1 755 . 1 1 A 86 86 SER CA C 108 56.420 56.997 -0.577 2
1 756 . 1 1 A 86 86 SER CB C 108 63.939 64.295 -0.356 2
1 757 . 1 1 A 86 86 SER N N 108 120.384 118.217 2.167 2
1 758 . 1 1 A 87 87 SER H H 109 8.155 8.652 -0.497 2
1 759 . 1 1 A 87 87 SER HA H 109 4.519 4.556 -0.037 2
1 762 . 1 1 A 87 87 SER CA C 109 56.046 56.643 -0.597 2
1 763 . 1 1 A 87 87 SER CB C 109 63.145 63.653 -0.508 2
1 764 . 1 1 A 87 87 SER N N 109 120.949 122.690 -1.741 2
1 765 . 1 1 A 88 88 PRO HA H 110 4.287 4.635 -0.348 2
1 767 . 1 1 A 88 88 PRO CA C 110 64.081 62.945 1.136 2
1 768 . 1 1 A 88 88 PRO CB C 110 32.049 30.267 1.782 2
1 771 . 1 1 A 89 89 HIS H H 111 8.535 8.464 0.071 2
1 772 . 1 1 A 89 89 HIS HA H 111 4.421 4.689 -0.268 2
1 774 . 1 1 A 89 89 HIS CA C 111 56.683 57.123 -0.440 2
1 775 . 1 1 A 89 89 HIS CB C 111 27.859 30.754 -2.895 2
1 776 . 1 1 A 89 89 HIS N N 111 115.372 121.132 -5.760 2
1 777 . 1 1 A 90 90 SER H H 112 8.012 8.189 -0.177 2
1 778 . 1 1 A 90 90 SER HA H 112 4.422 4.446 -0.024 2
1 781 . 1 1 A 90 90 SER CA C 112 58.586 58.689 -0.103 2
1 782 . 1 1 A 90 90 SER CB C 112 64.405 64.340 0.065 2
1 783 . 1 1 A 90 90 SER N N 112 112.865 113.121 -0.256 2
1 784 . 1 1 A 91 91 GLY H H 113 8.239 8.237 0.002 2
1 785 . 1 1 A 91 91 GLY HA2 H 113 3.911 3.954 -0.043 2
1 786 . 1 1 A 91 91 GLY HA3 H 113 3.966 3.960 0.006 2
1 787 . 1 1 A 91 91 GLY CA C 113 45.627 45.701 -0.074 2
1 788 . 1 1 A 91 91 GLY N N 113 110.848 110.318 0.530 2
1 789 . 1 1 A 92 92 SER H H 114 7.757 7.894 -0.137 2
1 790 . 1 1 A 92 92 SER HA H 114 4.518 4.675 -0.157 2
1 792 . 1 1 A 92 92 SER CA C 114 58.132 57.473 0.659 2
1 793 . 1 1 A 92 92 SER CB C 114 64.340 65.016 -0.675 2
1 794 . 1 1 A 92 92 SER N N 114 114.404 115.293 -0.889 2
1 795 . 1 1 A 93 93 ILE H H 115 8.456 8.740 -0.284 2
1 796 . 1 1 A 93 93 ILE HA H 115 4.412 4.716 -0.304 2
1 806 . 1 1 A 93 93 ILE CA C 115 60.573 60.257 0.316 2
1 807 . 1 1 A 93 93 ILE CB C 115 39.061 40.174 -1.113 2
1 811 . 1 1 A 93 93 ILE N N 115 124.873 124.177 0.696 2
1 812 . 1 1 A 94 94 HIS H H 116 8.994 8.634 0.360 2
1 813 . 1 1 A 94 94 HIS HA H 116 5.309 5.206 0.103 2
1 814 . 1 1 A 94 94 HIS CA C 116 53.919 54.459 -0.540 2
1 815 . 1 1 A 94 94 HIS CB C 116 27.883 32.010 -4.127 2
1 816 . 1 1 A 94 94 HIS N N 116 125.591 126.395 -0.804 2
1 817 . 1 1 A 95 95 SER H H 117 9.153 8.758 0.395 2
1 818 . 1 1 A 95 95 SER HA H 117 5.101 5.020 0.081 2
1 820 . 1 1 A 95 95 SER CA C 117 57.114 57.101 0.013 2
1 821 . 1 1 A 95 95 SER CB C 117 64.430 64.400 0.030 2
1 822 . 1 1 A 95 95 SER N N 117 117.598 119.348 -1.750 2
1 823 . 1 1 A 96 96 VAL H H 118 9.055 8.908 0.147 2
1 824 . 1 1 A 96 96 VAL HA H 118 5.009 5.059 -0.050 2
1 828 . 1 1 A 96 96 VAL CA C 118 61.453 59.959 1.494 2
1 829 . 1 1 A 96 96 VAL CB C 118 35.098 34.354 0.744 2
1 831 . 1 1 A 96 96 VAL N N 118 126.585 124.136 2.448 2
1 832 . 1 1 A 97 97 SER H H 119 9.032 8.878 0.154 2
1 833 . 1 1 A 97 97 SER HA H 119 5.543 5.092 0.451 2
1 835 . 1 1 A 97 97 SER CA C 119 56.290 56.899 -0.609 2
1 836 . 1 1 A 97 97 SER CB C 119 65.799 64.963 0.836 2
1 837 . 1 1 A 97 97 SER N N 119 121.395 122.791 -1.396 2
1 838 . 1 1 A 98 98 VAL H H 120 8.402 8.817 -0.415 2
1 839 . 1 1 A 98 98 VAL HA H 120 4.027 4.200 -0.173 2
1 847 . 1 1 A 98 98 VAL CA C 120 62.212 62.542 -0.330 2
1 848 . 1 1 A 98 98 VAL CB C 120 29.250 31.883 -2.633 2
1 851 . 1 1 A 98 98 VAL N N 120 124.771 126.664 -1.893 2
1 852 . 1 1 A 99 99 VAL H H 121 8.361 8.751 -0.390 2
1 853 . 1 1 A 99 99 VAL HA H 121 3.723 3.999 -0.276 2
1 858 . 1 1 A 99 99 VAL CA C 121 65.202 64.569 0.633 2
1 859 . 1 1 A 99 99 VAL CB C 121 32.718 32.530 0.188 2
1 861 . 1 1 A 99 99 VAL N N 121 128.844 128.317 0.527 2
1 862 . 1 1 A 100 100 GLU H H 122 7.188 7.750 -0.562 2
1 863 . 1 1 A 100 100 GLU HA H 122 4.726 4.825 -0.099 2
1 866 . 1 1 A 100 100 GLU CA C 122 54.951 55.406 -0.455 2
1 867 . 1 1 A 100 100 GLU CB C 122 34.111 33.727 0.384 2
1 868 . 1 1 A 100 100 GLU N N 122 113.832 118.197 -4.365 2
1 869 . 1 1 A 101 101 ALA H H 123 8.708 8.785 -0.077 2
1 870 . 1 1 A 101 101 ALA HA H 123 4.365 5.120 -0.755 2
1 874 . 1 1 A 101 101 ALA CA C 123 52.217 50.199 2.018 2
1 875 . 1 1 A 101 101 ALA CB C 123 21.568 21.855 -0.287 2
1 876 . 1 1 A 101 101 ALA N N 123 124.349 124.179 0.170 2
1 877 . 1 1 A 105 105 GLU HA H 127 3.719 4.583 -0.864 2
1 878 . 1 1 A 105 105 GLU CA C 127 59.422 56.899 2.523 2
1 879 . 1 1 A 105 105 GLU CB C 127 35.689 31.566 4.123 2
1 880 . 1 1 A 106 106 TYR H H 128 9.359 7.667 1.692 2
1 881 . 1 1 A 106 106 TYR HA H 128 6.292 5.169 1.123 2
1 885 . 1 1 A 106 106 TYR CA C 128 58.184 56.570 1.614 2
1 886 . 1 1 A 106 106 TYR CB C 128 42.417 40.577 1.840 2
1 889 . 1 1 A 106 106 TYR N N 128 118.441 116.151 2.290 2
1 890 . 1 1 A 107 107 ALA H H 129 9.057 8.964 0.093 2
1 891 . 1 1 A 107 107 ALA HA H 129 4.724 5.352 -0.628 2
1 895 . 1 1 A 107 107 ALA CA C 129 51.666 50.324 1.342 2
1 896 . 1 1 A 107 107 ALA CB C 129 22.720 22.189 0.531 2
1 897 . 1 1 A 107 107 ALA N N 129 120.309 122.916 -2.607 2
1 898 . 1 1 A 108 108 LEU H H 130 8.889 8.610 0.279 2
1 899 . 1 1 A 108 108 LEU HA H 130 5.191 5.196 -0.005 2
1 908 . 1 1 A 108 108 LEU CA C 130 53.730 53.650 0.080 2
1 909 . 1 1 A 108 108 LEU CB C 130 43.792 44.116 -0.324 2
1 912 . 1 1 A 108 108 LEU N N 130 122.798 123.820 -1.022 2
1 913 . 1 1 A 109 109 LEU H H 131 9.168 9.474 -0.306 2
1 914 . 1 1 A 109 109 LEU HA H 131 5.410 5.268 0.142 2
1 924 . 1 1 A 109 109 LEU CA C 131 54.387 53.376 1.011 2
1 925 . 1 1 A 109 109 LEU CB C 131 45.159 45.991 -0.832 2
1 929 . 1 1 A 109 109 LEU N N 131 126.359 127.057 -0.698 2
1 930 . 1 1 A 110 110 PHE H H 132 9.150 8.758 0.392 2
1 931 . 1 1 A 110 110 PHE HA H 132 5.687 5.440 0.247 2
1 935 . 1 1 A 110 110 PHE CA C 132 56.501 56.121 0.380 2
1 936 . 1 1 A 110 110 PHE CB C 132 43.567 42.371 1.196 2
1 937 . 1 1 A 110 110 PHE N N 132 120.892 123.614 -2.722 2
1 938 . 1 1 A 111 111 SER H H 133 8.978 9.469 -0.491 2
1 939 . 1 1 A 111 111 SER HA H 133 5.702 5.335 0.367 2
1 941 . 1 1 A 111 111 SER CA C 133 55.789 56.826 -1.037 2
1 942 . 1 1 A 111 111 SER CB C 133 65.521 64.923 0.598 2
1 943 . 1 1 A 111 111 SER N N 133 125.184 120.327 4.857 2
1 944 . 1 1 A 112 112 ARG H H 134 8.581 8.726 -0.145 2
1 945 . 1 1 A 112 112 ARG HA H 134 5.151 5.377 -0.226 2
1 950 . 1 1 A 112 112 ARG CA C 134 53.502 54.438 -0.936 2
1 951 . 1 1 A 112 112 ARG CB C 134 34.324 33.810 0.514 2
1 954 . 1 1 A 112 112 ARG N N 134 120.408 125.867 -5.459 2
1 955 . 1 1 A 113 113 GLY H H 135 8.195 8.914 -0.719 2
1 956 . 1 1 A 113 113 GLY HA2 H 135 4.108 4.327 -0.219 2
1 957 . 1 1 A 113 113 GLY HA3 H 135 4.342 4.434 -0.093 2
1 958 . 1 1 A 113 113 GLY CA C 135 45.735 44.950 0.785 2
1 959 . 1 1 A 113 113 GLY N N 135 108.687 110.271 -1.584 2
1 960 . 1 1 A 114 114 THR H H 136 8.437 8.928 -0.491 2
1 961 . 1 1 A 114 114 THR HA H 136 4.686 4.293 0.393 2
1 966 . 1 1 A 114 114 THR CA C 136 61.317 63.661 -2.344 2
1 967 . 1 1 A 114 114 THR CB C 136 70.640 69.504 1.136 2
1 969 . 1 1 A 114 114 THR N N 136 112.383 113.020 -0.637 2
1 970 . 1 1 A 115 115 LYS H H 137 8.042 8.111 -0.068 2
1 971 . 1 1 A 115 115 LYS HA H 137 4.457 3.920 0.537 2
1 976 . 1 1 A 115 115 LYS CA C 137 56.861 57.175 -0.314 2
1 977 . 1 1 A 115 115 LYS CB C 137 34.523 31.572 2.951 2
1 981 . 1 1 A 115 115 LYS N N 137 121.031 120.408 0.623 2
1 982 . 1 1 A 116 116 GLY H H 138 8.574 8.627 -0.053 2
1 983 . 1 1 A 116 116 GLY HA2 H 138 3.894 3.852 0.042 2
1 984 . 1 1 A 116 116 GLY HA3 H 138 4.566 3.861 0.705 2
1 985 . 1 1 A 116 116 GLY CA C 138 44.217 46.308 -2.091 2
1 986 . 1 1 A 116 116 GLY N N 138 112.843 111.805 1.038 2
1 987 . 1 1 A 117 117 PRO HA H 139 4.452 4.622 -0.170 2
1 992 . 1 1 A 117 117 PRO CA C 139 63.920 62.850 1.070 2
1 993 . 1 1 A 117 117 PRO CB C 139 31.786 30.138 1.648 2
1 996 . 1 1 A 118 118 GLY H H 140 8.835 8.108 0.727 2
1 997 . 1 1 A 118 118 GLY HA2 H 140 4.030 3.927 0.103 2
1 998 . 1 1 A 118 118 GLY HA3 H 140 4.187 3.934 0.253 2
1 999 . 1 1 A 118 118 GLY CA C 140 45.949 46.643 -0.694 2
1 1000 . 1 1 A 118 118 GLY N N 140 110.324 109.156 1.168 2
1 1001 . 1 1 A 119 119 GLN H H 141 8.062 8.386 -0.324 2
1 1002 . 1 1 A 119 119 GLN HA H 141 4.067 4.470 -0.402 2
1 1005 . 1 1 A 119 119 GLN CA C 141 57.874 55.545 2.329 2
1 1006 . 1 1 A 119 119 GLN CB C 141 28.638 29.023 -0.384 2
1 1008 . 1 1 A 119 119 GLN N N 141 119.674 119.352 0.322 2
1 1009 . 1 1 A 120 120 ASP H H 142 8.554 7.888 0.666 2
1 1010 . 1 1 A 120 120 ASP HA H 142 4.606 4.421 0.185 2
1 1012 . 1 1 A 120 120 ASP CA C 142 54.348 54.983 -0.635 2
1 1013 . 1 1 A 120 120 ASP CB C 142 40.529 39.223 1.306 2
1 1014 . 1 1 A 120 120 ASP N N 142 117.596 118.191 -0.595 2
1 1015 . 1 1 A 121 121 PHE H H 143 7.890 8.655 -0.765 2
1 1016 . 1 1 A 121 121 PHE HA H 143 4.477 4.674 -0.197 2
1 1021 . 1 1 A 121 121 PHE CA C 143 59.232 58.818 0.414 2
1 1022 . 1 1 A 121 121 PHE CB C 143 39.898 39.921 -0.023 2
1 1025 . 1 1 A 121 121 PHE N N 143 122.226 122.034 0.192 2
1 1026 . 1 1 A 122 122 ARG H H 144 7.956 8.437 -0.481 2
1 1027 . 1 1 A 122 122 ARG HA H 144 4.664 5.059 -0.395 2
1 1032 . 1 1 A 122 122 ARG CA C 144 54.337 54.306 0.031 2
1 1033 . 1 1 A 122 122 ARG CB C 144 34.705 33.086 1.619 2
1 1036 . 1 1 A 122 122 ARG N N 144 126.876 125.648 1.228 2
1 1037 . 1 1 A 123 123 MET H H 145 8.444 8.941 -0.497 2
1 1038 . 1 1 A 123 123 MET HA H 145 5.157 4.939 0.218 2
1 1042 . 1 1 A 123 123 MET CA C 145 54.904 54.131 0.773 2
1 1043 . 1 1 A 123 123 MET CB C 145 37.618 36.151 1.467 2
1 1045 . 1 1 A 123 123 MET N N 145 121.767 123.208 -1.441 2
1 1046 . 1 1 A 124 124 ALA H H 146 9.809 8.513 1.296 2
1 1047 . 1 1 A 124 124 ALA HA H 146 5.801 4.920 0.881 2
1 1051 . 1 1 A 124 124 ALA CA C 146 50.289 50.301 -0.012 2
1 1052 . 1 1 A 124 124 ALA CB C 146 22.630 21.773 0.857 2
1 1053 . 1 1 A 124 124 ALA N N 146 132.634 126.323 6.311 2
1 1054 . 1 1 A 125 125 THR H H 147 9.169 9.433 -0.264 2
1 1055 . 1 1 A 125 125 THR HA H 147 4.974 5.248 -0.274 2
1 1060 . 1 1 A 125 125 THR CA C 147 62.270 61.300 0.970 2
1 1061 . 1 1 A 125 125 THR CB C 147 71.431 71.359 0.072 2
1 1063 . 1 1 A 125 125 THR N N 147 118.001 116.226 1.775 2
1 1064 . 1 1 A 126 126 LEU H H 148 8.287 8.632 -0.345 2
1 1065 . 1 1 A 126 126 LEU HA H 148 4.994 4.949 0.045 2
1 1072 . 1 1 A 126 126 LEU CA C 148 52.917 53.497 -0.580 2
1 1073 . 1 1 A 126 126 LEU CB C 148 42.487 43.190 -0.702 2
1 1076 . 1 1 A 126 126 LEU N N 148 128.462 127.977 0.485 2
1 1077 . 1 1 A 127 127 TYR H H 149 9.352 8.585 0.767 2
1 1078 . 1 1 A 127 127 TYR HA H 149 5.745 4.824 0.921 2
1 1082 . 1 1 A 127 127 TYR CA C 149 55.277 59.106 -3.829 2
1 1083 . 1 1 A 127 127 TYR CB C 149 40.105 39.517 0.588 2
1 1085 . 1 1 A 127 127 TYR N N 149 127.854 127.237 0.617 2
1 1086 . 1 1 A 128 128 SER H H 150 9.808 8.453 1.355 2
1 1087 . 1 1 A 128 128 SER HA H 150 6.032 5.138 0.893 2
1 1090 . 1 1 A 128 128 SER CA C 150 55.349 56.632 -1.283 2
1 1091 . 1 1 A 128 128 SER CB C 150 66.028 65.264 0.763 2
1 1092 . 1 1 A 128 128 SER N N 150 113.673 118.062 -4.389 2
1 1093 . 1 1 A 129 129 ARG H H 151 8.667 8.883 -0.215 2
1 1094 . 1 1 A 129 129 ARG HA H 151 4.184 4.187 -0.003 2
1 1096 . 1 1 A 129 129 ARG CA C 151 56.959 58.946 -1.987 2
1 1097 . 1 1 A 129 129 ARG CB C 151 31.553 30.374 1.179 2
1 1098 . 1 1 A 129 129 ARG N N 151 126.102 124.676 1.426 2
1 1099 . 1 1 A 130 130 THR H H 152 8.244 7.678 0.567 2
1 1100 . 1 1 A 130 130 THR HA H 152 4.879 4.313 0.566 2
1 1105 . 1 1 A 130 130 THR CA C 152 59.501 60.250 -0.749 2
1 1106 . 1 1 A 130 130 THR CB C 152 71.244 71.373 -0.129 2
1 1108 . 1 1 A 130 130 THR N N 152 108.224 109.980 -1.756 2
1 1109 . 1 1 A 131 131 GLN H H 153 8.765 8.444 0.321 2
1 1110 . 1 1 A 131 131 GLN HA H 153 3.664 3.813 -0.149 2
1 1117 . 1 1 A 131 131 GLN CA C 153 57.614 57.840 -0.226 2
1 1118 . 1 1 A 131 131 GLN CB C 153 28.738 28.490 0.248 2
1 1120 . 1 1 A 131 131 GLN N N 153 119.385 120.073 -0.688 2
1 1122 . 1 1 A 132 132 THR H H 154 7.242 7.572 -0.330 2
1 1123 . 1 1 A 132 132 THR HA H 154 4.309 4.592 -0.283 2
1 1128 . 1 1 A 132 132 THR CA C 154 60.406 60.661 -0.255 2
1 1129 . 1 1 A 132 132 THR CB C 154 70.006 69.987 0.019 2
1 1131 . 1 1 A 132 132 THR N N 154 108.689 113.939 -5.250 2
1 1132 . 1 1 A 133 133 LEU H H 155 8.608 8.675 -0.066 2
1 1133 . 1 1 A 133 133 LEU HA H 155 4.631 5.178 -0.547 2
1 1143 . 1 1 A 133 133 LEU CA C 155 53.415 52.921 0.494 2
1 1144 . 1 1 A 133 133 LEU CB C 155 44.570 45.194 -0.624 2
1 1148 . 1 1 A 133 133 LEU N N 155 124.560 122.227 2.333 2
1 1149 . 1 1 A 134 134 LYS H H 156 8.157 8.773 -0.615 2
1 1150 . 1 1 A 134 134 LYS HA H 156 4.374 4.512 -0.138 2
1 1156 . 1 1 A 134 134 LYS CA C 156 56.031 55.019 1.012 2
1 1157 . 1 1 A 134 134 LYS CB C 156 33.505 34.130 -0.625 2
1 1161 . 1 1 A 134 134 LYS N N 156 123.852 122.704 1.148 2
1 1162 . 1 1 A 135 135 ASP H H 157 8.974 8.895 0.079 2
1 1163 . 1 1 A 135 135 ASP HA H 157 4.143 4.076 0.067 2
1 1165 . 1 1 A 135 135 ASP CA C 157 58.252 56.805 1.447 2
1 1166 . 1 1 A 135 135 ASP CB C 157 39.857 40.132 -0.275 2
1 1167 . 1 1 A 135 135 ASP N N 157 124.197 124.629 -0.432 2
1 1168 . 1 1 A 136 136 GLU H H 158 9.287 7.928 1.359 2
1 1169 . 1 1 A 136 136 GLU HA H 158 4.141 4.118 0.023 2
1 1173 . 1 1 A 136 136 GLU CA C 158 59.348 58.814 0.534 2
1 1174 . 1 1 A 136 136 GLU CB C 158 28.638 29.714 -1.076 2
1 1176 . 1 1 A 136 136 GLU N N 158 117.885 119.558 -1.673 2
1 1177 . 1 1 A 137 137 LEU H H 159 7.246 8.132 -0.886 2
1 1178 . 1 1 A 137 137 LEU HA H 159 4.053 4.028 0.025 2
1 1187 . 1 1 A 137 137 LEU CA C 159 56.663 57.216 -0.553 2
1 1188 . 1 1 A 137 137 LEU CB C 159 41.666 41.296 0.370 2
1 1192 . 1 1 A 137 137 LEU N N 159 119.393 120.677 -1.284 2
1 1193 . 1 1 A 138 138 LYS H H 160 7.383 9.621 -2.238 2
1 1194 . 1 1 A 138 138 LYS HA H 160 3.997 3.761 0.236 2
1 1200 . 1 1 A 138 138 LYS CA C 160 60.416 58.897 1.519 2
1 1201 . 1 1 A 138 138 LYS CB C 160 31.478 31.622 -0.145 2
1 1205 . 1 1 A 138 138 LYS N N 160 119.612 121.127 -1.515 2
1 1206 . 1 1 A 139 139 GLU H H 161 7.978 8.294 -0.316 2
1 1207 . 1 1 A 139 139 GLU HA H 161 4.176 4.203 -0.027 2
1 1211 . 1 1 A 139 139 GLU CA C 161 59.139 59.280 -0.141 2
1 1212 . 1 1 A 139 139 GLU CB C 161 28.417 29.287 -0.870 2
1 1214 . 1 1 A 139 139 GLU N N 161 119.510 118.943 0.567 2
1 1215 . 1 1 A 140 140 LYS H H 162 7.860 7.683 0.177 2
1 1216 . 1 1 A 140 140 LYS HA H 162 4.089 4.085 0.004 2
1 1225 . 1 1 A 140 140 LYS CA C 162 59.541 58.843 0.698 2
1 1226 . 1 1 A 140 140 LYS CB C 162 32.078 32.079 -0.001 2
1 1230 . 1 1 A 140 140 LYS N N 162 120.614 119.593 1.021 2
1 1231 . 1 1 A 141 141 PHE H H 163 8.548 8.058 0.490 2
1 1232 . 1 1 A 141 141 PHE HA H 163 4.444 4.306 0.138 2
1 1235 . 1 1 A 141 141 PHE CA C 163 61.551 60.951 0.600 2
1 1236 . 1 1 A 141 141 PHE CB C 163 39.975 39.238 0.737 2
1 1237 . 1 1 A 141 141 PHE N N 163 119.075 121.246 -2.171 2
1 1238 . 1 1 A 142 142 THR H H 164 8.791 7.965 0.826 2
1 1239 . 1 1 A 142 142 THR HA H 164 3.721 4.077 -0.356 2
1 1244 . 1 1 A 142 142 THR CA C 164 67.495 66.002 1.493 2
1 1245 . 1 1 A 142 142 THR CB C 164 68.330 68.504 -0.174 2
1 1247 . 1 1 A 142 142 THR N N 164 120.224 114.242 5.982 2
1 1248 . 1 1 A 143 143 THR H H 165 8.536 8.507 0.030 2
1 1249 . 1 1 A 143 143 THR HA H 165 3.764 3.921 -0.157 2
1 1254 . 1 1 A 143 143 THR CA C 165 66.989 66.837 0.153 2
1 1255 . 1 1 A 143 143 THR CB C 165 68.641 68.527 0.114 2
1 1257 . 1 1 A 143 143 THR N N 165 118.456 117.200 1.256 2
1 1258 . 1 1 A 144 144 PHE H H 166 8.264 8.059 0.205 2
1 1259 . 1 1 A 144 144 PHE HA H 166 4.207 4.085 0.122 2
1 1264 . 1 1 A 144 144 PHE CA C 166 61.233 61.886 -0.653 2
1 1265 . 1 1 A 144 144 PHE CB C 166 39.772 38.954 0.818 2
1 1266 . 1 1 A 144 144 PHE N N 166 122.676 122.091 0.585 2
1 1267 . 1 1 A 145 145 SER H H 167 8.077 8.108 -0.031 2
1 1268 . 1 1 A 145 145 SER HA H 167 3.283 3.857 -0.574 2
1 1270 . 1 1 A 145 145 SER CA C 167 64.031 61.871 2.160 2
1 1271 . 1 1 A 145 145 SER CB C 167 62.339 62.721 -0.382 2
1 1272 . 1 1 A 145 145 SER N N 167 115.714 115.362 0.352 2
1 1273 . 1 1 A 146 146 LYS H H 168 8.000 7.893 0.107 2
1 1274 . 1 1 A 146 146 LYS HA H 168 4.434 4.157 0.278 2
1 1278 . 1 1 A 146 146 LYS CA C 168 58.915 58.771 0.144 2
1 1279 . 1 1 A 146 146 LYS CB C 168 32.022 32.074 -0.052 2
1 1283 . 1 1 A 146 146 LYS N N 168 121.529 120.886 0.643 2
1 1284 . 1 1 A 147 147 ALA H H 169 7.726 7.664 0.062 2
1 1285 . 1 1 A 147 147 ALA HA H 169 4.079 4.052 0.027 2
1 1289 . 1 1 A 147 147 ALA CA C 169 54.255 54.497 -0.242 2
1 1290 . 1 1 A 147 147 ALA CB C 169 17.264 18.259 -0.995 2
1 1291 . 1 1 A 147 147 ALA N N 169 123.249 121.560 1.689 2
1 1292 . 1 1 A 148 148 GLN H H 170 7.058 7.370 -0.312 2
1 1293 . 1 1 A 148 148 GLN HA H 170 4.139 4.238 -0.099 2
1 1299 . 1 1 A 148 148 GLN CA C 170 53.091 55.724 -2.633 2
1 1300 . 1 1 A 148 148 GLN CB C 170 26.931 29.020 -2.089 2
1 1302 . 1 1 A 148 148 GLN N N 170 113.952 115.539 -1.587 2
1 1304 . 1 1 A 149 149 GLY H H 171 7.651 8.052 -0.401 2
1 1305 . 1 1 A 149 149 GLY HA2 H 171 3.650 3.938 -0.288 2
1 1306 . 1 1 A 149 149 GLY HA3 H 171 4.076 3.946 0.131 2
1 1307 . 1 1 A 149 149 GLY CA C 171 45.335 46.075 -0.740 2
1 1308 . 1 1 A 149 149 GLY N N 171 106.210 108.095 -1.885 2
1 1309 . 1 1 A 150 150 LEU H H 172 7.395 7.629 -0.234 2
1 1310 . 1 1 A 150 150 LEU HA H 172 4.543 4.701 -0.158 2
1 1319 . 1 1 A 150 150 LEU CA C 172 53.499 53.218 0.280 2
1 1320 . 1 1 A 150 150 LEU CB C 172 40.838 45.047 -4.209 2
1 1324 . 1 1 A 150 150 LEU N N 172 120.964 119.736 1.228 2
1 1325 . 1 1 A 151 151 THR H H 173 8.270 8.687 -0.417 2
1 1326 . 1 1 A 151 151 THR HA H 173 4.515 4.678 -0.163 2
1 1331 . 1 1 A 151 151 THR CA C 173 60.236 61.238 -1.002 2
1 1332 . 1 1 A 151 151 THR CB C 173 71.307 70.392 0.915 2
1 1334 . 1 1 A 151 151 THR N N 173 110.762 116.109 -5.347 2
1 1335 . 1 1 A 152 152 GLU H H 174 9.041 9.009 0.032 2
1 1336 . 1 1 A 152 152 GLU HA H 174 3.908 4.007 -0.099 2
1 1340 . 1 1 A 152 152 GLU CA C 174 60.190 59.360 0.830 2
1 1341 . 1 1 A 152 152 GLU CB C 174 28.823 29.278 -0.455 2
1 1343 . 1 1 A 152 152 GLU N N 174 118.629 123.359 -4.730 2
1 1344 . 1 1 A 153 153 GLU H H 175 8.200 8.230 -0.030 2
1 1345 . 1 1 A 153 153 GLU HA H 175 4.222 4.067 0.155 2
1 1349 . 1 1 A 153 153 GLU CA C 175 58.093 58.706 -0.612 2
1 1350 . 1 1 A 153 153 GLU CB C 175 28.697 29.168 -0.471 2
1 1352 . 1 1 A 153 153 GLU N N 175 115.885 119.350 -3.466 2
1 1353 . 1 1 A 154 154 ASP H H 176 7.833 7.767 0.066 2
1 1354 . 1 1 A 154 154 ASP HA H 176 4.873 4.738 0.135 2
1 1357 . 1 1 A 154 154 ASP CA C 176 53.936 54.907 -0.971 2
1 1358 . 1 1 A 154 154 ASP CB C 176 41.470 41.687 -0.217 2
1 1359 . 1 1 A 154 154 ASP N N 176 118.196 117.905 0.291 2
1 1360 . 1 1 A 155 155 ILE H H 177 7.007 7.556 -0.549 2
1 1361 . 1 1 A 155 155 ILE HA H 177 4.367 4.511 -0.144 2
1 1369 . 1 1 A 155 155 ILE CA C 177 61.493 59.788 1.704 2
1 1370 . 1 1 A 155 155 ILE CB C 177 40.374 40.526 -0.152 2
1 1374 . 1 1 A 155 155 ILE N N 177 117.852 119.596 -1.744 2
1 1375 . 1 1 A 156 156 VAL H H 178 9.203 8.959 0.244 2
1 1376 . 1 1 A 156 156 VAL HA H 178 4.544 4.538 0.006 2
1 1381 . 1 1 A 156 156 VAL CA C 178 60.448 60.474 -0.026 2
1 1382 . 1 1 A 156 156 VAL CB C 178 36.233 35.181 1.052 2
1 1384 . 1 1 A 156 156 VAL N N 178 126.166 124.379 1.788 2
1 1385 . 1 1 A 157 157 PHE H H 179 8.718 8.712 0.006 2
1 1386 . 1 1 A 157 157 PHE HA H 179 5.010 5.029 -0.019 2
1 1391 . 1 1 A 157 157 PHE CA C 179 58.363 56.748 1.615 2
1 1392 . 1 1 A 157 157 PHE CB C 179 38.344 39.810 -1.466 2
1 1394 . 1 1 A 157 157 PHE N N 179 124.905 126.924 -2.019 2
1 1395 . 1 1 A 158 158 LEU H H 180 7.459 8.663 -1.204 2
1 1396 . 1 1 A 158 158 LEU HA H 180 4.402 4.432 -0.030 2
1 1397 . 1 1 A 158 158 LEU CA C 180 53.074 53.267 -0.194 2
1 1398 . 1 1 A 158 158 LEU CB C 180 41.738 41.908 -0.170 2
1 1399 . 1 1 A 158 158 LEU N N 180 125.466 126.388 -0.922 2
1 1400 . 1 1 A 159 159 PRO HA H 181 4.771 4.611 0.160 2
1 1401 . 1 1 A 159 159 PRO CA C 181 61.916 62.338 -0.422 2
1 1402 . 1 1 A 159 159 PRO CB C 181 32.363 32.934 -0.571 2
1 1405 . 1 1 A 161 161 PRO HA H 183 4.666 4.745 -0.079 2
1 1409 . 1 1 A 161 161 PRO CA C 183 62.292 62.571 -0.279 2
1 1410 . 1 1 A 161 161 PRO CB C 183 33.337 32.709 0.628 2
1 1412 . 1 1 A 162 162 ASP H H 184 8.449 8.703 -0.254 2
1 1413 . 1 1 A 162 162 ASP HA H 184 4.467 4.939 -0.472 2
1 1416 . 1 1 A 162 162 ASP CA C 184 54.064 54.166 -0.102 2
1 1417 . 1 1 A 162 162 ASP CB C 184 39.919 41.958 -2.039 2
1 1418 . 1 1 A 162 162 ASP N N 184 117.032 119.750 -2.718 2
1 1419 . 1 1 A 163 163 LYS H H 185 7.195 8.087 -0.892 2
1 1420 . 1 1 A 163 163 LYS HA H 185 4.588 4.453 0.135 2
1 1426 . 1 1 A 163 163 LYS CA C 185 55.499 56.110 -0.611 2
1 1427 . 1 1 A 163 163 LYS CB C 185 35.558 33.022 2.536 2
1 1431 . 1 1 A 163 163 LYS N N 185 115.300 118.052 -2.752 2
1 1432 . 1 1 A 164 164 CYS H H 186 8.427 8.395 0.032 2
1 1433 . 1 1 A 164 164 CYS HA H 186 4.313 4.645 -0.332 2
1 1436 . 1 1 A 164 164 CYS CA C 186 57.607 56.218 1.389 2
1 1437 . 1 1 A 164 164 CYS CB C 186 35.042 43.063 -8.021 2
1 1438 . 1 1 A 164 164 CYS N N 186 107.133 121.528 -14.395 2
1 1439 . 1 1 A 165 165 ILE H H 187 7.881 8.017 -0.136 2
1 1440 . 1 1 A 165 165 ILE HA H 187 4.549 4.239 0.310 2
1 1450 . 1 1 A 165 165 ILE CA C 187 61.529 62.172 -0.643 2
1 1451 . 1 1 A 165 165 ILE CB C 187 39.748 38.925 0.823 2
1 1455 . 1 1 A 165 165 ILE N N 187 113.570 120.351 -6.781 2
1 1456 . 1 1 A 166 166 GLN H H 188 8.308 7.685 0.623 2
1 1457 . 1 1 A 166 166 GLN HA H 188 4.303 4.292 0.011 2
1 1462 . 1 1 A 166 166 GLN CA C 188 56.928 56.106 0.822 2
1 1463 . 1 1 A 166 166 GLN CB C 188 28.637 29.184 -0.547 2
1 1465 . 1 1 A 166 166 GLN N N 188 122.915 121.447 1.468 2
stop_
save_