data_16318_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16318
_Entry.PDB_ID 2KJE
_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 20
_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 6 . 1 1 1 A 2 2 PRO HA H 1765 4.433 4.376 0.057 1
1 13 . 1 1 1 A 2 2 PRO CA C 1765 64.810 64.322 0.488 1
1 14 . 1 1 1 A 2 2 PRO CB C 1765 31.907 31.887 0.020 1
1 17 . 1 1 1 A 3 3 GLN H H 1766 8.442 8.487 -0.045 1
1 18 . 1 1 1 A 3 3 GLN HA H 1766 3.889 4.119 -0.230 1
1 25 . 1 1 1 A 3 3 GLN CA C 1766 59.103 58.545 0.558 1
1 26 . 1 1 1 A 3 3 GLN CB C 1766 28.595 27.900 0.695 1
1 28 . 1 1 1 A 3 3 GLN N N 1766 115.685 116.920 -1.235 1
1 30 . 1 1 1 A 4 4 GLU H H 1767 8.161 8.003 0.158 1
1 31 . 1 1 1 A 4 4 GLU HA H 1767 4.197 4.079 0.118 1
1 36 . 1 1 1 A 4 4 GLU CA C 1767 57.727 59.422 -1.695 1
1 37 . 1 1 1 A 4 4 GLU CB C 1767 30.250 29.313 0.937 1
1 39 . 1 1 1 A 4 4 GLU N N 1767 121.941 120.408 1.533 1
1 40 . 1 1 1 A 5 5 SER H H 1768 8.291 8.418 -0.127 1
1 41 . 1 1 1 A 5 5 SER HA H 1768 4.280 4.157 0.123 1
1 44 . 1 1 1 A 5 5 SER CA C 1768 60.800 61.061 -0.261 1
1 45 . 1 1 1 A 5 5 SER CB C 1768 63.435 62.614 0.821 1
1 46 . 1 1 1 A 5 5 SER N N 1768 116.360 115.728 0.632 1
1 47 . 1 1 1 A 6 6 ARG H H 1769 7.935 7.871 0.064 1
1 48 . 1 1 1 A 6 6 ARG HA H 1769 4.120 4.144 -0.024 1
1 52 . 1 1 1 A 6 6 ARG N N 1769 122.139 121.852 0.287 1
1 53 . 1 1 1 A 7 7 ARG H H 1770 7.952 7.820 0.132 1
1 54 . 1 1 1 A 7 7 ARG HA H 1770 3.939 3.994 -0.055 1
1 61 . 1 1 1 A 7 7 ARG N N 1770 119.527 119.796 -0.269 1
1 62 . 1 1 1 A 8 8 LEU H H 1771 8.120 8.450 -0.330 1
1 63 . 1 1 1 A 8 8 LEU HA H 1771 4.188 3.998 0.190 1
1 73 . 1 1 1 A 8 8 LEU CA C 1771 56.786 57.740 -0.954 1
1 74 . 1 1 1 A 8 8 LEU CB C 1771 41.556 41.720 -0.164 1
1 78 . 1 1 1 A 8 8 LEU N N 1771 120.237 120.645 -0.408 1
1 79 . 1 1 1 A 9 9 SER H H 1772 8.860 7.851 1.009 1
1 80 . 1 1 1 A 9 9 SER HA H 1772 4.224 4.024 0.200 1
1 83 . 1 1 1 A 9 9 SER CA C 1772 61.728 62.574 -0.846 1
1 84 . 1 1 1 A 9 9 SER CB C 1772 62.198 62.992 -0.794 1
1 85 . 1 1 1 A 9 9 SER N N 1772 116.214 113.582 2.632 1
1 86 . 1 1 1 A 10 10 ILE H H 1773 8.133 7.762 0.371 1
1 87 . 1 1 1 A 10 10 ILE HA H 1773 3.510 3.527 -0.017 1
1 97 . 1 1 1 A 10 10 ILE CA C 1773 64.787 65.113 -0.326 1
1 98 . 1 1 1 A 10 10 ILE CB C 1773 38.732 37.491 1.241 1
1 102 . 1 1 1 A 10 10 ILE N N 1773 122.927 121.195 1.732 1
1 103 . 1 1 1 A 11 11 GLN H H 1774 8.250 8.161 0.089 1
1 104 . 1 1 1 A 11 11 GLN HA H 1774 3.980 4.011 -0.031 1
1 111 . 1 1 1 A 11 11 GLN CA C 1774 58.900 58.239 0.661 1
1 113 . 1 1 1 A 11 11 GLN N N 1774 118.893 119.903 -1.010 1
1 115 . 1 1 1 A 12 12 ARG H H 1775 8.272 7.919 0.353 1
1 116 . 1 1 1 A 12 12 ARG HA H 1775 4.168 4.058 0.110 1
1 123 . 1 1 1 A 12 12 ARG CA C 1775 57.730 59.609 -1.879 1
1 126 . 1 1 1 A 12 12 ARG N N 1775 119.560 119.139 0.421 1
1 127 . 1 1 1 A 13 13 CYS HA H 1776 4.176 4.194 -0.018 1
1 130 . 1 1 1 A 13 13 CYS CA C 1776 63.610 62.058 1.552 1
1 131 . 1 1 1 A 13 13 CYS CB C 1776 26.965 27.249 -0.284 1
1 132 . 1 1 1 A 14 14 ILE H H 1777 8.597 7.889 0.708 1
1 133 . 1 1 1 A 14 14 ILE HA H 1777 3.735 3.699 0.036 1
1 143 . 1 1 1 A 14 14 ILE CA C 1777 65.220 64.890 0.330 1
1 144 . 1 1 1 A 14 14 ILE CB C 1777 37.320 37.129 0.191 1
1 148 . 1 1 1 A 14 14 ILE N N 1777 120.174 120.780 -0.606 1
1 149 . 1 1 1 A 15 15 GLN H H 1778 8.105 7.898 0.207 1
1 150 . 1 1 1 A 15 15 GLN HA H 1778 4.700 4.059 0.641 1
1 157 . 1 1 1 A 15 15 GLN CA C 1778 59.139 59.192 -0.053 1
1 158 . 1 1 1 A 15 15 GLN CB C 1778 28.377 28.343 0.034 1
1 160 . 1 1 1 A 15 15 GLN N N 1778 119.677 120.849 -1.172 1
1 162 . 1 1 1 A 16 16 SER H H 1779 8.115 7.539 0.576 1
1 163 . 1 1 1 A 16 16 SER HA H 1779 4.407 4.114 0.293 1
1 166 . 1 1 1 A 16 16 SER CA C 1779 61.963 62.588 -0.625 1
1 167 . 1 1 1 A 16 16 SER CB C 1779 63.425 62.799 0.626 1
1 168 . 1 1 1 A 16 16 SER N N 1779 116.542 116.696 -0.154 1
1 169 . 1 1 1 A 17 17 LEU H H 1780 8.496 8.047 0.449 1
1 170 . 1 1 1 A 17 17 LEU HA H 1780 3.970 4.023 -0.053 1
1 180 . 1 1 1 A 17 17 LEU CA C 1780 58.286 58.535 -0.249 1
1 181 . 1 1 1 A 17 17 LEU CB C 1780 42.262 42.039 0.223 1
1 185 . 1 1 1 A 17 17 LEU N N 1780 124.870 123.059 1.811 1
1 186 . 1 1 1 A 18 18 VAL H H 1781 8.540 8.002 0.538 1
1 187 . 1 1 1 A 18 18 VAL HA H 1781 3.246 3.538 -0.292 1
1 195 . 1 1 1 A 18 18 VAL CA C 1781 66.905 66.870 0.035 1
1 196 . 1 1 1 A 18 18 VAL CB C 1781 31.672 31.653 0.019 1
1 199 . 1 1 1 A 18 18 VAL N N 1781 119.345 119.151 0.194 1
1 200 . 1 1 1 A 19 19 HIS H H 1782 7.944 8.418 -0.474 1
1 201 . 1 1 1 A 19 19 HIS HA H 1782 4.191 4.079 0.112 1
1 206 . 1 1 1 A 19 19 HIS CA C 1782 59.845 60.257 -0.412 1
1 207 . 1 1 1 A 19 19 HIS CB C 1782 26.965 29.909 -2.944 1
1 210 . 1 1 1 A 19 19 HIS N N 1782 116.521 119.094 -2.573 1
1 211 . 1 1 1 A 20 20 ALA H H 1783 9.830 8.606 1.224 1
1 212 . 1 1 1 A 20 20 ALA HA H 1783 4.367 4.130 0.237 1
1 216 . 1 1 1 A 20 20 ALA CA C 1783 55.191 54.902 0.289 1
1 217 . 1 1 1 A 20 20 ALA CB C 1783 20.695 18.384 2.311 1
1 218 . 1 1 1 A 20 20 ALA N N 1783 121.753 120.530 1.223 1
1 219 . 1 1 1 A 21 21 CYS H H 1784 7.913 7.503 0.410 1
1 220 . 1 1 1 A 21 21 CYS HA H 1784 4.236 4.400 -0.164 1
1 223 . 1 1 1 A 21 21 CYS CA C 1784 61.963 60.445 1.518 1
1 224 . 1 1 1 A 21 21 CYS CB C 1784 26.965 27.023 -0.058 1
1 225 . 1 1 1 A 21 21 CYS N N 1784 112.237 115.260 -3.023 1
1 226 . 1 1 1 A 22 22 GLN H H 1785 7.320 8.042 -0.722 1
1 227 . 1 1 1 A 22 22 GLN HA H 1785 4.475 4.438 0.037 1
1 234 . 1 1 1 A 22 22 GLN CA C 1785 54.970 55.242 -0.272 1
1 235 . 1 1 1 A 22 22 GLN CB C 1785 30.731 29.724 1.007 1
1 237 . 1 1 1 A 22 22 GLN N N 1785 115.939 115.405 0.534 1
1 239 . 1 1 1 A 23 23 CYS H H 1786 7.268 7.458 -0.190 1
1 240 . 1 1 1 A 23 23 CYS HA H 1786 3.898 4.065 -0.167 1
1 243 . 1 1 1 A 23 23 CYS CA C 1786 60.800 60.157 0.643 1
1 244 . 1 1 1 A 23 23 CYS CB C 1786 28.848 28.675 0.173 1
1 245 . 1 1 1 A 23 23 CYS N N 1786 124.452 120.109 4.343 1
1 246 . 1 1 1 A 24 24 ARG H H 1787 8.854 8.608 0.246 1
1 247 . 1 1 1 A 24 24 ARG HA H 1787 4.539 4.067 0.472 1
1 254 . 1 1 1 A 24 24 ARG CA C 1787 54.735 57.712 -2.977 1
1 255 . 1 1 1 A 24 24 ARG CB C 1787 30.250 29.846 0.404 1
1 258 . 1 1 1 A 24 24 ARG N N 1787 130.523 125.298 5.225 1
1 259 . 1 1 1 A 25 25 ASN H H 1788 7.553 7.737 -0.184 1
1 260 . 1 1 1 A 25 25 ASN HA H 1788 4.799 4.938 -0.139 1
1 265 . 1 1 1 A 25 25 ASN CA C 1788 51.911 52.206 -0.295 1
1 266 . 1 1 1 A 25 25 ASN CB C 1788 39.203 40.508 -1.305 1
1 267 . 1 1 1 A 25 25 ASN N N 1788 119.613 118.043 1.570 1
1 269 . 1 1 1 A 26 26 ALA H H 1789 9.185 9.143 0.042 1
1 270 . 1 1 1 A 26 26 ALA HA H 1789 4.740 4.039 0.701 1
1 274 . 1 1 1 A 26 26 ALA CA C 1789 54.264 54.784 -0.520 1
1 275 . 1 1 1 A 26 26 ALA CB C 1789 18.796 18.483 0.313 1
1 276 . 1 1 1 A 26 26 ALA N N 1789 130.841 128.886 1.955 1
1 277 . 1 1 1 A 27 27 ASN H H 1790 8.520 7.846 0.674 1
1 278 . 1 1 1 A 27 27 ASN HA H 1790 4.761 4.844 -0.083 1
1 283 . 1 1 1 A 27 27 ASN CA C 1790 51.911 53.367 -1.456 1
1 284 . 1 1 1 A 27 27 ASN CB C 1790 38.967 39.189 -0.222 1
1 285 . 1 1 1 A 27 27 ASN N N 1790 113.345 113.720 -0.375 1
1 287 . 1 1 1 A 28 28 CYS H H 1791 7.224 7.294 -0.070 1
1 288 . 1 1 1 A 28 28 CYS HA H 1791 4.950 4.294 0.656 1
1 291 . 1 1 1 A 28 28 CYS CA C 1791 61.257 60.196 1.061 1
1 292 . 1 1 1 A 28 28 CYS CB C 1791 30.495 28.995 1.500 1
1 293 . 1 1 1 A 28 28 CYS N N 1791 123.463 120.615 2.848 1
1 294 . 1 1 1 A 29 29 SER H H 1792 8.811 8.881 -0.070 1
1 295 . 1 1 1 A 29 29 SER HA H 1792 4.449 4.528 -0.079 1
1 298 . 1 1 1 A 29 29 SER CA C 1792 57.492 59.187 -1.695 1
1 299 . 1 1 1 A 29 29 SER CB C 1792 63.835 64.009 -0.174 1
1 300 . 1 1 1 A 29 29 SER N N 1792 125.781 121.353 4.428 1
1 301 . 1 1 1 A 30 30 LEU H H 1793 7.851 7.321 0.530 1
1 302 . 1 1 1 A 30 30 LEU HA H 1793 4.507 4.409 0.098 1
1 312 . 1 1 1 A 30 30 LEU CA C 1793 53.558 53.100 0.458 1
1 313 . 1 1 1 A 30 30 LEU CB C 1793 42.270 43.102 -0.832 1
1 317 . 1 1 1 A 30 30 LEU N N 1793 125.656 123.493 2.163 1
1 318 . 1 1 1 A 31 31 PRO HA H 1794 4.363 4.295 0.068 1
1 325 . 1 1 1 A 31 31 PRO CA C 1794 64.787 65.379 -0.592 1
1 326 . 1 1 1 A 31 31 PRO CB C 1794 32.708 31.770 0.938 1
1 329 . 1 1 1 A 32 32 SER H H 1795 8.625 8.266 0.359 1
1 330 . 1 1 1 A 32 32 SER HA H 1795 4.309 4.162 0.147 1
1 332 . 1 1 1 A 32 32 SER CA C 1795 60.124 61.505 -1.381 1
1 333 . 1 1 1 A 32 32 SER CB C 1795 62.982 62.717 0.265 1
1 334 . 1 1 1 A 32 32 SER N N 1795 112.707 112.020 0.687 1
1 335 . 1 1 1 A 33 33 CYS H H 1796 6.679 7.708 -1.029 1
1 336 . 1 1 1 A 33 33 CYS HA H 1796 4.108 3.953 0.155 1
1 339 . 1 1 1 A 33 33 CYS CA C 1796 62.669 62.654 0.015 1
1 340 . 1 1 1 A 33 33 CYS CB C 1796 30.495 26.488 4.007 1
1 341 . 1 1 1 A 33 33 CYS N N 1796 126.200 121.159 5.041 1
1 342 . 1 1 1 A 34 34 GLN H H 1797 7.870 8.188 -0.318 1
1 343 . 1 1 1 A 34 34 GLN HA H 1797 3.867 3.905 -0.038 1
1 350 . 1 1 1 A 34 34 GLN CA C 1797 59.140 59.217 -0.077 1
1 351 . 1 1 1 A 34 34 GLN CB C 1797 31.360 28.111 3.249 1
1 353 . 1 1 1 A 34 34 GLN N N 1797 115.529 119.531 -4.002 1
1 355 . 1 1 1 A 35 35 LYS H H 1798 8.340 7.831 0.509 1
1 356 . 1 1 1 A 35 35 LYS HA H 1798 4.240 4.039 0.201 1
1 365 . 1 1 1 A 35 35 LYS CA C 1798 58.904 59.179 -0.275 1
1 366 . 1 1 1 A 35 35 LYS CB C 1798 32.686 32.042 0.644 1
1 370 . 1 1 1 A 35 35 LYS N N 1798 117.144 119.468 -2.324 1
1 371 . 1 1 1 A 36 36 MET H H 1799 8.163 8.254 -0.091 1
1 372 . 1 1 1 A 36 36 MET HA H 1799 4.369 4.059 0.310 1
1 380 . 1 1 1 A 36 36 MET CA C 1799 56.474 58.811 -2.337 1
1 381 . 1 1 1 A 36 36 MET CB C 1799 31.110 31.955 -0.845 1
1 384 . 1 1 1 A 36 36 MET N N 1799 117.485 119.379 -1.894 1
1 385 . 1 1 1 A 37 37 LYS H H 1800 9.337 8.288 1.049 1
1 386 . 1 1 1 A 37 37 LYS HA H 1800 3.840 3.985 -0.145 1
1 395 . 1 1 1 A 37 37 LYS CA C 1800 61.200 60.028 1.172 1
1 396 . 1 1 1 A 37 37 LYS CB C 1800 32.691 32.376 0.315 1
1 400 . 1 1 1 A 37 37 LYS N N 1800 120.830 118.862 1.968 1
1 401 . 1 1 1 A 38 38 ARG H H 1801 7.399 7.813 -0.414 1
1 402 . 1 1 1 A 38 38 ARG HA H 1801 4.490 4.031 0.459 1
1 409 . 1 1 1 A 38 38 ARG CA C 1801 59.263 59.411 -0.148 1
1 410 . 1 1 1 A 38 38 ARG CB C 1801 31.179 30.032 1.147 1
1 413 . 1 1 1 A 38 38 ARG N N 1801 118.965 119.485 -0.520 1
1 414 . 1 1 1 A 39 39 VAL H H 1802 8.420 7.853 0.567 1
1 415 . 1 1 1 A 39 39 VAL HA H 1802 3.239 3.803 -0.564 1
1 423 . 1 1 1 A 39 39 VAL CA C 1802 67.140 65.489 1.651 1
1 424 . 1 1 1 A 39 39 VAL CB C 1802 31.685 31.436 0.249 1
1 427 . 1 1 1 A 39 39 VAL N N 1802 123.140 115.785 7.355 1
1 428 . 1 1 1 A 40 40 VAL H H 1803 8.195 8.230 -0.035 1
1 429 . 1 1 1 A 40 40 VAL HA H 1803 3.403 3.583 -0.180 1
1 437 . 1 1 1 A 40 40 VAL CA C 1803 66.905 66.896 0.009 1
1 438 . 1 1 1 A 40 40 VAL CB C 1803 31.907 31.558 0.349 1
1 441 . 1 1 1 A 40 40 VAL N N 1803 118.716 121.010 -2.294 1
1 442 . 1 1 1 A 41 41 GLN H H 1804 8.310 8.203 0.107 1
1 443 . 1 1 1 A 41 41 GLN HA H 1804 3.916 4.082 -0.166 1
1 450 . 1 1 1 A 41 41 GLN CA C 1804 58.591 58.915 -0.324 1
1 451 . 1 1 1 A 41 41 GLN CB C 1804 28.561 28.498 0.063 1
1 453 . 1 1 1 A 41 41 GLN N N 1804 119.193 118.470 0.723 1
1 455 . 1 1 1 A 42 42 HIS H H 1805 8.152 7.993 0.159 1
1 456 . 1 1 1 A 42 42 HIS HA H 1805 4.222 4.308 -0.086 1
1 461 . 1 1 1 A 42 42 HIS CA C 1805 59.139 59.434 -0.295 1
1 462 . 1 1 1 A 42 42 HIS CB C 1805 27.201 30.305 -3.104 1
1 465 . 1 1 1 A 42 42 HIS N N 1805 118.579 121.747 -3.168 1
1 466 . 1 1 1 A 43 43 THR H H 1806 7.997 8.560 -0.563 1
1 467 . 1 1 1 A 43 43 THR HA H 1806 3.888 4.085 -0.197 1
1 473 . 1 1 1 A 43 43 THR CA C 1806 65.728 65.427 0.301 1
1 474 . 1 1 1 A 43 43 THR CB C 1806 69.023 68.996 0.027 1
1 476 . 1 1 1 A 43 43 THR N N 1806 113.599 113.789 -0.190 1
1 477 . 1 1 1 A 44 44 LYS H H 1807 7.381 8.719 -1.338 1
1 478 . 1 1 1 A 44 44 LYS HA H 1807 4.190 4.224 -0.034 1
1 487 . 1 1 1 A 44 44 LYS CA C 1807 58.668 58.039 0.629 1
1 488 . 1 1 1 A 44 44 LYS CB C 1807 32.731 31.323 1.408 1
1 492 . 1 1 1 A 44 44 LYS N N 1807 120.270 119.607 0.663 1
1 493 . 1 1 1 A 45 45 GLY H H 1808 7.610 7.915 -0.305 1
1 494 . 1 1 1 A 45 45 GLY HA2 H 1808 3.610 3.975 -0.365 1
1 495 . 1 1 1 A 45 45 GLY HA3 H 1808 4.380 3.993 0.387 1
1 496 . 1 1 1 A 45 45 GLY CA C 1808 44.851 45.340 -0.489 1
1 497 . 1 1 1 A 45 45 GLY N N 1808 125.480 106.935 18.545 1
1 498 . 1 1 1 A 46 46 CYS H H 1809 6.898 7.715 -0.817 1
1 499 . 1 1 1 A 46 46 CYS HA H 1809 3.957 4.205 -0.248 1
1 502 . 1 1 1 A 46 46 CYS CA C 1809 60.551 59.790 0.761 1
1 503 . 1 1 1 A 46 46 CYS CB C 1809 30.260 28.675 1.585 1
1 504 . 1 1 1 A 46 46 CYS N N 1809 123.457 119.845 3.612 1
1 505 . 1 1 1 A 47 47 LYS HA H 1810 4.471 4.195 0.276 1
1 514 . 1 1 1 A 47 47 LYS CA C 1810 56.800 58.331 -1.531 1
1 515 . 1 1 1 A 47 47 LYS CB C 1810 33.840 32.156 1.684 1
1 518 . 1 1 1 A 48 48 ARG H H 1811 8.575 7.748 0.827 1
1 519 . 1 1 1 A 48 48 ARG HA H 1811 4.366 4.345 0.021 1
1 526 . 1 1 1 A 48 48 ARG CA C 1811 57.256 58.082 -0.826 1
1 527 . 1 1 1 A 48 48 ARG CB C 1811 32.143 31.679 0.464 1
1 530 . 1 1 1 A 48 48 ARG N N 1811 122.731 119.701 3.030 1
1 531 . 1 1 1 A 49 49 LYS H H 1812 8.663 8.035 0.628 1
1 532 . 1 1 1 A 49 49 LYS HA H 1812 4.521 4.371 0.150 1
1 539 . 1 1 1 A 49 49 LYS CA C 1812 57.256 57.129 0.127 1
1 540 . 1 1 1 A 49 49 LYS CB C 1812 32.378 32.554 -0.176 1
1 543 . 1 1 1 A 49 49 LYS N N 1812 118.409 117.820 0.589 1
1 544 . 1 1 1 A 50 50 THR HA H 1813 4.710 3.946 0.764 1
1 549 . 1 1 1 A 50 50 THR CA C 1813 63.846 65.793 -1.947 1
1 550 . 1 1 1 A 50 50 THR CB C 1813 68.317 68.166 0.151 1
1 552 . 1 1 1 A 51 51 ASN HA H 1814 4.676 4.386 0.290 1
1 557 . 1 1 1 A 51 51 ASN CA C 1814 82.908 56.320 26.588 1
1 558 . 1 1 1 A 51 51 ASN CB C 1814 38.732 38.571 0.161 1
1 560 . 1 1 1 A 52 52 GLY H H 1815 7.879 7.735 0.144 1
1 561 . 1 1 1 A 52 52 GLY HA2 H 1815 4.300 3.957 0.343 1
1 562 . 1 1 1 A 52 52 GLY HA3 H 1815 3.831 3.961 -0.130 1
1 563 . 1 1 1 A 52 52 GLY CA C 1815 45.557 45.337 0.220 1
1 564 . 1 1 1 A 52 52 GLY N N 1815 129.890 105.664 24.226 1
1 565 . 1 1 1 A 53 53 GLY H H 1816 7.765 7.773 -0.008 1
1 566 . 1 1 1 A 53 53 GLY HA2 H 1816 3.885 3.953 -0.068 1
1 567 . 1 1 1 A 53 53 GLY HA3 H 1816 3.985 3.954 0.031 1
1 568 . 1 1 1 A 53 53 GLY CA C 1816 45.792 45.327 0.465 1
1 569 . 1 1 1 A 53 53 GLY N N 1816 128.949 107.597 21.352 1
1 570 . 1 1 1 A 54 54 CYS H H 1817 8.800 8.118 0.682 1
1 571 . 1 1 1 A 54 54 CYS HA H 1817 4.821 4.602 0.219 1
1 574 . 1 1 1 A 54 54 CYS CA C 1817 55.138 57.413 -2.275 1
1 575 . 1 1 1 A 54 54 CYS CB C 1817 30.966 28.784 2.182 1
1 576 . 1 1 1 A 54 54 CYS N N 1817 122.429 119.404 3.025 1
1 577 . 1 1 1 A 55 55 PRO HA H 1818 4.330 4.303 0.027 1
1 584 . 1 1 1 A 55 55 PRO CA C 1818 64.787 65.310 -0.523 1
1 585 . 1 1 1 A 55 55 PRO CB C 1818 32.613 32.026 0.587 1
1 588 . 1 1 1 A 56 56 VAL H H 1819 7.750 7.399 0.351 1
1 589 . 1 1 1 A 56 56 VAL HA H 1819 3.884 3.532 0.352 1
1 597 . 1 1 1 A 56 56 VAL CA C 1819 65.728 66.273 -0.545 1
1 598 . 1 1 1 A 56 56 VAL CB C 1819 32.849 31.177 1.672 1
1 601 . 1 1 1 A 56 56 VAL N N 1819 121.605 115.572 6.033 1
1 602 . 1 1 1 A 57 57 CYS H H 1820 8.884 8.109 0.775 1
1 603 . 1 1 1 A 57 57 CYS HA H 1820 4.106 3.895 0.211 1
1 606 . 1 1 1 A 57 57 CYS CA C 1820 65.728 63.804 1.924 1
1 607 . 1 1 1 A 57 57 CYS CB C 1820 30.250 27.200 3.050 1
1 608 . 1 1 1 A 57 57 CYS N N 1820 124.260 117.451 6.809 1
1 609 . 1 1 1 A 58 58 LYS H H 1821 8.133 7.541 0.592 1
1 610 . 1 1 1 A 58 58 LYS HA H 1821 3.942 3.857 0.085 1
1 619 . 1 1 1 A 58 58 LYS CA C 1821 59.610 59.605 0.005 1
1 620 . 1 1 1 A 58 58 LYS CB C 1821 32.849 32.449 0.400 1
1 624 . 1 1 1 A 58 58 LYS N N 1821 117.129 121.123 -3.994 1
1 625 . 1 1 1 A 59 59 GLN H H 1822 7.318 7.808 -0.490 1
1 626 . 1 1 1 A 59 59 GLN HA H 1822 4.357 3.955 0.402 1
1 632 . 1 1 1 A 59 59 GLN N N 1822 117.943 118.513 -0.570 1
1 633 . 1 1 1 A 60 60 LEU H H 1823 8.667 7.595 1.072 1
1 634 . 1 1 1 A 60 60 LEU HA H 1823 4.950 3.944 1.006 1
1 647 . 1 1 1 A 60 60 LEU N N 1823 120.670 121.059 -0.389 1
1 648 . 1 1 1 A 61 61 ILE H H 1824 8.780 8.077 0.703 1
1 649 . 1 1 1 A 61 61 ILE HA H 1824 3.614 3.537 0.077 1
1 659 . 1 1 1 A 61 61 ILE CA C 1824 64.787 65.262 -0.475 1
1 660 . 1 1 1 A 61 61 ILE CB C 1824 37.320 36.791 0.529 1
1 664 . 1 1 1 A 61 61 ILE N N 1824 119.837 118.953 0.884 1
1 665 . 1 1 1 A 62 62 ALA H H 1825 7.675 8.403 -0.728 1
1 666 . 1 1 1 A 62 62 ALA HA H 1825 4.112 4.035 0.077 1
1 670 . 1 1 1 A 62 62 ALA CA C 1825 55.374 55.240 0.134 1
1 671 . 1 1 1 A 62 62 ALA CB C 1825 18.560 18.079 0.481 1
1 672 . 1 1 1 A 62 62 ALA N N 1825 122.779 122.853 -0.074 1
1 673 . 1 1 1 A 63 63 LEU H H 1826 7.983 7.641 0.342 1
1 674 . 1 1 1 A 63 63 LEU HA H 1826 4.114 4.075 0.039 1
1 684 . 1 1 1 A 63 63 LEU CA C 1826 58.334 58.032 0.302 1
1 685 . 1 1 1 A 63 63 LEU CB C 1826 42.821 41.103 1.718 1
1 689 . 1 1 1 A 63 63 LEU N N 1826 118.291 118.673 -0.382 1
1 690 . 1 1 1 A 64 64 CYS H H 1827 8.663 8.100 0.563 1
1 691 . 1 1 1 A 64 64 CYS HA H 1827 4.350 4.238 0.112 1
1 694 . 1 1 1 A 64 64 CYS CA C 1827 64.800 62.822 1.978 1
1 695 . 1 1 1 A 64 64 CYS CB C 1827 26.495 26.361 0.134 1
1 696 . 1 1 1 A 64 64 CYS N N 1827 118.409 117.542 0.867 1
1 697 . 1 1 1 A 65 65 CYS H H 1828 8.672 8.468 0.204 1
1 698 . 1 1 1 A 65 65 CYS HA H 1828 4.152 4.049 0.103 1
1 701 . 1 1 1 A 65 65 CYS CA C 1828 63.547 63.098 0.449 1
1 702 . 1 1 1 A 65 65 CYS CB C 1828 26.495 26.435 0.060 1
1 703 . 1 1 1 A 65 65 CYS N N 1828 118.996 121.692 -2.696 1
1 704 . 1 1 1 A 66 66 TYR H H 1829 7.837 8.494 -0.657 1
1 705 . 1 1 1 A 66 66 TYR HA H 1829 4.199 4.190 0.009 1
1 712 . 1 1 1 A 66 66 TYR CA C 1829 61.220 61.858 -0.638 1
1 713 . 1 1 1 A 66 66 TYR CB C 1829 38.261 38.331 -0.070 1
1 716 . 1 1 1 A 66 66 TYR N N 1829 120.650 122.215 -1.565 1
1 717 . 1 1 1 A 67 67 HIS H H 1830 8.323 8.484 -0.161 1
1 718 . 1 1 1 A 67 67 HIS HA H 1830 4.341 4.385 -0.044 1
1 723 . 1 1 1 A 67 67 HIS CA C 1830 58.668 60.401 -1.733 1
1 724 . 1 1 1 A 67 67 HIS CB C 1830 27.907 29.981 -2.074 1
1 727 . 1 1 1 A 67 67 HIS N N 1830 117.149 119.585 -2.436 1
1 728 . 1 1 1 A 68 68 ALA H H 1831 8.693 8.549 0.144 1
1 729 . 1 1 1 A 68 68 ALA HA H 1831 4.250 4.019 0.231 1
1 733 . 1 1 1 A 68 68 ALA CA C 1831 55.205 55.343 -0.138 1
1 734 . 1 1 1 A 68 68 ALA CB C 1831 20.695 18.499 2.196 1
1 735 . 1 1 1 A 68 68 ALA N N 1831 121.519 120.860 0.659 1
1 736 . 1 1 1 A 69 69 LYS H H 1832 7.126 8.294 -1.168 1
1 737 . 1 1 1 A 69 69 LYS HA H 1832 3.737 4.017 -0.280 1
1 746 . 1 1 1 A 69 69 LYS CA C 1832 57.962 59.405 -1.443 1
1 747 . 1 1 1 A 69 69 LYS CB C 1832 32.613 31.665 0.948 1
1 751 . 1 1 1 A 69 69 LYS N N 1832 114.376 119.236 -4.860 1
1 752 . 1 1 1 A 70 70 HIS H H 1833 6.884 7.382 -0.498 1
1 753 . 1 1 1 A 70 70 HIS HA H 1833 4.711 4.356 0.355 1
1 758 . 1 1 1 A 70 70 HIS CA C 1833 54.970 57.858 -2.888 1
1 759 . 1 1 1 A 70 70 HIS CB C 1833 31.201 30.814 0.387 1
1 762 . 1 1 1 A 70 70 HIS N N 1833 113.369 114.473 -1.104 1
1 763 . 1 1 1 A 71 71 CYS H H 1834 6.969 7.569 -0.600 1
1 764 . 1 1 1 A 71 71 CYS HA H 1834 4.210 4.273 -0.063 1
1 767 . 1 1 1 A 71 71 CYS CA C 1834 60.800 59.440 1.360 1
1 768 . 1 1 1 A 71 71 CYS CB C 1834 30.250 28.582 1.668 1
1 769 . 1 1 1 A 71 71 CYS N N 1834 123.813 118.122 5.691 1
1 770 . 1 1 1 A 72 72 GLN H H 1835 9.101 8.566 0.535 1
1 771 . 1 1 1 A 72 72 GLN HA H 1835 4.646 4.730 -0.084 1
1 778 . 1 1 1 A 72 72 GLN CA C 1835 54.735 55.430 -0.695 1
1 779 . 1 1 1 A 72 72 GLN CB C 1835 29.319 30.657 -1.338 1
1 781 . 1 1 1 A 72 72 GLN N N 1835 128.430 122.044 6.386 1
1 783 . 1 1 1 A 73 73 GLU H H 1836 8.331 7.296 1.035 1
1 784 . 1 1 1 A 73 73 GLU HA H 1836 4.365 4.305 0.060 1
1 788 . 1 1 1 A 73 73 GLU CA C 1836 55.374 56.574 -1.200 1
1 789 . 1 1 1 A 73 73 GLU CB C 1836 30.731 30.676 0.055 1
1 791 . 1 1 1 A 73 73 GLU N N 1836 123.251 121.707 1.544 1
1 792 . 1 1 1 A 74 74 ASN HA H 1837 4.512 4.456 0.056 1
1 797 . 1 1 1 A 74 74 ASN CA C 1837 54.970 55.247 -0.277 1
1 798 . 1 1 1 A 74 74 ASN CB C 1837 38.732 38.262 0.470 1
1 800 . 1 1 1 A 75 75 LYS H H 1838 8.779 7.878 0.901 1
1 801 . 1 1 1 A 75 75 LYS HA H 1838 4.424 4.611 -0.187 1
1 810 . 1 1 1 A 75 75 LYS CA C 1838 54.735 55.230 -0.495 1
1 811 . 1 1 1 A 75 75 LYS CB C 1838 30.966 33.197 -2.231 1
1 815 . 1 1 1 A 75 75 LYS N N 1838 121.350 115.891 5.459 1
1 816 . 1 1 1 A 76 76 CYS H H 1839 7.590 6.971 0.619 1
1 817 . 1 1 1 A 76 76 CYS HA H 1839 4.361 4.380 -0.019 1
1 820 . 1 1 1 A 76 76 CYS CA C 1839 57.256 57.574 -0.318 1
1 821 . 1 1 1 A 76 76 CYS CB C 1839 30.731 28.252 2.479 1
1 822 . 1 1 1 A 76 76 CYS N N 1839 124.209 121.627 2.582 1
1 823 . 1 1 1 A 77 77 PRO HA H 1840 4.651 4.375 0.276 1
1 830 . 1 1 1 A 77 77 PRO CA C 1840 62.669 64.380 -1.711 1
1 831 . 1 1 1 A 77 77 PRO CB C 1840 32.849 31.914 0.935 1
1 834 . 1 1 1 A 78 78 VAL H H 1841 8.962 7.734 1.228 1
1 835 . 1 1 1 A 78 78 VAL HA H 1841 4.199 4.181 0.018 1
1 843 . 1 1 1 A 78 78 VAL CA C 1841 61.257 60.914 0.343 1
1 844 . 1 1 1 A 78 78 VAL CB C 1841 31.672 32.086 -0.414 1
1 847 . 1 1 1 A 78 78 VAL N N 1841 128.606 119.546 9.060 1
1 848 . 1 1 1 A 79 79 PRO HA H 1842 3.936 4.144 -0.208 1
1 855 . 1 1 1 A 79 79 PRO CA C 1842 63.846 65.482 -1.636 1
1 856 . 1 1 1 A 79 79 PRO CB C 1842 30.731 31.645 -0.914 1
1 859 . 1 1 1 A 80 80 PHE HA H 1843 4.255 4.207 0.048 1
1 866 . 1 1 1 A 80 80 PHE CA C 1843 59.374 60.590 -1.216 1
1 867 . 1 1 1 A 80 80 PHE CB C 1843 37.791 37.813 -0.022 1
1 870 . 1 1 1 A 81 81 CYS H H 1844 7.660 8.215 -0.555 1
1 871 . 1 1 1 A 81 81 CYS HA H 1844 3.997 4.198 -0.201 1
1 874 . 1 1 1 A 81 81 CYS CA C 1844 64.552 62.511 2.041 1
1 875 . 1 1 1 A 81 81 CYS CB C 1844 30.495 26.816 3.679 1
1 876 . 1 1 1 A 81 81 CYS N N 1844 124.104 118.443 5.661 1
1 877 . 1 1 1 A 82 82 LEU H H 1845 8.170 8.368 -0.198 1
1 878 . 1 1 1 A 82 82 LEU HA H 1845 3.988 3.968 0.020 1
1 888 . 1 1 1 A 82 82 LEU CA C 1845 57.962 58.191 -0.229 1
1 889 . 1 1 1 A 82 82 LEU CB C 1845 41.321 41.400 -0.079 1
1 893 . 1 1 1 A 82 82 LEU N N 1845 115.950 121.031 -5.081 1
1 894 . 1 1 1 A 83 83 ASN H H 1846 7.826 8.337 -0.511 1
1 895 . 1 1 1 A 83 83 ASN HA H 1846 4.447 4.456 -0.009 1
1 900 . 1 1 1 A 83 83 ASN CA C 1846 56.800 56.922 -0.122 1
1 901 . 1 1 1 A 83 83 ASN CB C 1846 38.967 39.218 -0.251 1
1 902 . 1 1 1 A 83 83 ASN N N 1846 116.117 117.799 -1.682 1
1 904 . 1 1 1 A 84 84 ILE H H 1847 8.607 8.339 0.268 1
1 905 . 1 1 1 A 84 84 ILE HA H 1847 3.718 3.608 0.110 1
1 915 . 1 1 1 A 84 84 ILE CA C 1847 64.787 65.564 -0.777 1
1 916 . 1 1 1 A 84 84 ILE CB C 1847 38.497 37.861 0.636 1
1 920 . 1 1 1 A 84 84 ILE N N 1847 121.553 119.360 2.193 1
1 921 . 1 1 1 A 85 85 LYS H H 1848 8.855 8.288 0.567 1
1 922 . 1 1 1 A 85 85 LYS HA H 1848 3.859 3.948 -0.089 1
1 931 . 1 1 1 A 85 85 LYS CA C 1848 60.551 59.320 1.231 1
1 932 . 1 1 1 A 85 85 LYS CB C 1848 32.613 32.476 0.137 1
1 936 . 1 1 1 A 85 85 LYS N N 1848 119.992 119.034 0.958 1
1 937 . 1 1 1 A 86 86 HIS H H 1849 8.100 8.043 0.057 1
1 938 . 1 1 1 A 86 86 HIS HA H 1849 4.411 4.204 0.207 1
1 943 . 1 1 1 A 86 86 HIS CA C 1849 58.433 59.812 -1.379 1
1 944 . 1 1 1 A 86 86 HIS CB C 1849 30.495 29.941 0.554 1
1 947 . 1 1 1 A 86 86 HIS N N 1849 117.237 120.070 -2.833 1
1 948 . 1 1 1 A 87 87 LYS H H 1850 7.685 8.115 -0.430 1
1 949 . 1 1 1 A 87 87 LYS HA H 1850 4.128 3.961 0.167 1
1 958 . 1 1 1 A 87 87 LYS CA C 1850 57.727 59.186 -1.459 1
1 959 . 1 1 1 A 87 87 LYS CB C 1850 32.378 32.169 0.209 1
1 963 . 1 1 1 A 87 87 LYS N N 1850 119.118 119.180 -0.062 1
1 964 . 1 1 1 A 88 88 LEU H H 1851 8.230 8.527 -0.297 1
1 965 . 1 1 1 A 88 88 LEU HA H 1851 4.174 3.914 0.260 1
1 975 . 1 1 1 A 88 88 LEU CA C 1851 56.800 57.961 -1.161 1
1 976 . 1 1 1 A 88 88 LEU CB C 1851 42.262 41.715 0.547 1
1 980 . 1 1 1 A 88 88 LEU N N 1851 119.305 120.291 -0.986 1
1 981 . 1 1 1 A 89 89 ARG H H 1852 7.765 7.695 0.070 1
1 982 . 1 1 1 A 89 89 ARG HA H 1852 4.245 4.040 0.205 1
1 989 . 1 1 1 A 89 89 ARG CA C 1852 56.550 59.273 -2.723 1
1 990 . 1 1 1 A 89 89 ARG CB C 1852 30.260 29.631 0.629 1
1 993 . 1 1 1 A 89 89 ARG N N 1852 118.302 119.135 -0.833 1
1 994 . 1 1 1 A 90 90 GLN H H 1853 7.851 7.771 0.080 1
1 995 . 1 1 1 A 90 90 GLN HA H 1853 4.262 4.183 0.079 1
1 1002 . 1 1 1 A 90 90 GLN CA C 1853 55.609 58.093 -2.484 1
1 1003 . 1 1 1 A 90 90 GLN CB C 1853 29.554 28.049 1.505 1
1 1005 . 1 1 1 A 90 90 GLN N N 1853 119.450 117.763 1.687 1
1 1007 . 1 1 1 A 91 91 GLN H H 1854 8.710 7.616 1.094 1
1 1008 . 1 1 1 A 91 91 GLN HA H 1854 4.317 4.187 0.130 1
1 1015 . 1 1 1 A 91 91 GLN CA C 1854 55.609 57.782 -2.173 1
1 1016 . 1 1 1 A 91 91 GLN CB C 1854 29.554 28.414 1.140 1
1 1018 . 1 1 1 A 91 91 GLN N N 1854 120.675 117.766 2.909 1
1 1038 . 1 2 2 B 2 2 HIS HA H 51 4.636 4.458 0.178 1
1 1043 . 1 2 2 B 2 2 HIS CA C 51 55.844 57.865 -2.021 1
1 1044 . 1 2 2 B 2 2 HIS CB C 51 30.495 29.843 0.652 1
1 1047 . 1 2 2 B 3 3 MET H H 52 8.230 7.702 0.528 1
1 1048 . 1 2 2 B 3 3 MET HA H 52 4.430 4.879 -0.449 1
1 1053 . 1 2 2 B 3 3 MET CA C 52 54.903 53.736 1.167 1
1 1054 . 1 2 2 B 3 3 MET CB C 52 33.840 35.153 -1.313 1
1 1056 . 1 2 2 B 3 3 MET N N 52 121.881 114.354 7.527 1
1 1057 . 1 2 2 B 4 4 ALA H H 53 8.269 8.636 -0.367 1
1 1058 . 1 2 2 B 4 4 ALA HA H 53 4.586 4.407 0.179 1
1 1062 . 1 2 2 B 4 4 ALA CA C 53 51.255 50.492 0.763 1
1 1063 . 1 2 2 B 4 4 ALA CB C 53 18.796 19.367 -0.571 1
1 1064 . 1 2 2 B 4 4 ALA N N 53 126.758 123.901 2.857 1
1 1065 . 1 2 2 B 5 5 PRO HA H 54 4.705 4.429 0.276 1
1 1072 . 1 2 2 B 5 5 PRO CA C 54 61.257 65.307 -4.050 1
1 1073 . 1 2 2 B 5 5 PRO CB C 54 30.966 31.912 -0.946 1
1 1076 . 1 2 2 B 6 6 GLU H H 55 8.468 7.563 0.905 1
1 1077 . 1 2 2 B 6 6 GLU HA H 55 4.150 4.652 -0.502 1
1 1082 . 1 2 2 B 6 6 GLU CA C 55 56.550 55.742 0.808 1
1 1083 . 1 2 2 B 6 6 GLU CB C 55 30.495 31.864 -1.369 1
1 1085 . 1 2 2 B 6 6 GLU N N 55 121.693 112.511 9.182 1
1 1086 . 1 2 2 B 7 7 ASP H H 56 8.574 8.794 -0.220 1
1 1087 . 1 2 2 B 7 7 ASP HA H 56 5.200 5.053 0.147 1
1 1090 . 1 2 2 B 7 7 ASP CA C 56 51.255 50.782 0.473 1
1 1091 . 1 2 2 B 7 7 ASP CB C 56 42.262 42.698 -0.436 1
1 1092 . 1 2 2 B 7 7 ASP N N 56 120.873 120.377 0.496 1
1 1093 . 1 2 2 B 8 8 PRO HA H 57 4.465 4.369 0.096 1
1 1100 . 1 2 2 B 8 8 PRO CA C 57 63.610 65.427 -1.817 1
1 1101 . 1 2 2 B 8 8 PRO CB C 57 32.378 31.920 0.458 1
1 1104 . 1 2 2 B 9 9 ASN H H 58 8.301 8.378 -0.077 1
1 1105 . 1 2 2 B 9 9 ASN HA H 58 4.809 4.506 0.303 1
1 1110 . 1 2 2 B 9 9 ASN CA C 58 53.558 55.263 -1.705 1
1 1111 . 1 2 2 B 9 9 ASN CB C 58 38.497 38.053 0.444 1
1 1112 . 1 2 2 B 9 9 ASN N N 58 117.190 115.035 2.155 1
1 1114 . 1 2 2 B 10 10 GLU H H 59 7.366 8.821 -1.455 1
1 1115 . 1 2 2 B 10 10 GLU HA H 59 3.641 4.050 -0.409 1
1 1120 . 1 2 2 B 10 10 GLU CA C 59 60.800 58.710 2.090 1
1 1121 . 1 2 2 B 10 10 GLU CB C 59 29.554 28.545 1.009 1
1 1123 . 1 2 2 B 10 10 GLU N N 59 122.354 118.213 4.141 1
1 1124 . 1 2 2 B 11 11 GLU H H 60 8.618 8.166 0.452 1
1 1125 . 1 2 2 B 11 11 GLU HA H 60 3.933 4.083 -0.150 1
1 1130 . 1 2 2 B 11 11 GLU CA C 60 59.139 58.964 0.175 1
1 1131 . 1 2 2 B 11 11 GLU CB C 60 29.830 29.278 0.552 1
1 1133 . 1 2 2 B 11 11 GLU N N 60 120.391 120.429 -0.038 1
1 1134 . 1 2 2 B 12 12 ALA H H 61 8.280 7.793 0.487 1
1 1135 . 1 2 2 B 12 12 ALA HA H 61 4.180 4.075 0.105 1
1 1139 . 1 2 2 B 12 12 ALA CA C 61 55.205 54.696 0.509 1
1 1140 . 1 2 2 B 12 12 ALA CB C 61 20.695 18.320 2.375 1
1 1141 . 1 2 2 B 12 12 ALA N N 61 122.378 121.701 0.677 1
1 1142 . 1 2 2 B 13 13 VAL H H 62 7.773 7.381 0.392 1
1 1143 . 1 2 2 B 13 13 VAL HA H 62 3.974 3.311 0.663 1
1 1151 . 1 2 2 B 13 13 VAL CA C 62 66.199 66.527 -0.328 1
1 1152 . 1 2 2 B 13 13 VAL CB C 62 31.907 31.348 0.559 1
1 1155 . 1 2 2 B 13 13 VAL N N 62 116.653 118.622 -1.969 1
1 1156 . 1 2 2 B 14 14 SER H H 63 8.288 8.242 0.046 1
1 1157 . 1 2 2 B 14 14 SER HA H 63 4.620 3.947 0.673 1
1 1160 . 1 2 2 B 14 14 SER CA C 63 60.786 62.143 -1.357 1
1 1161 . 1 2 2 B 14 14 SER CB C 63 62.434 62.999 -0.565 1
1 1162 . 1 2 2 B 14 14 SER N N 63 115.328 115.547 -0.219 1
1 1163 . 1 2 2 B 15 15 GLN H H 64 7.775 8.386 -0.611 1
1 1164 . 1 2 2 B 15 15 GLN HA H 64 4.190 4.097 0.093 1
1 1171 . 1 2 2 B 15 15 GLN CA C 64 57.492 58.265 -0.773 1
1 1172 . 1 2 2 B 15 15 GLN CB C 64 28.613 27.063 1.550 1
1 1174 . 1 2 2 B 15 15 GLN N N 64 119.350 118.321 1.029 1
1 1176 . 1 2 2 B 16 16 ILE H H 65 7.217 7.395 -0.178 1
1 1177 . 1 2 2 B 16 16 ILE HA H 65 3.788 3.919 -0.131 1
1 1186 . 1 2 2 B 16 16 ILE CA C 65 61.492 63.312 -1.820 1
1 1187 . 1 2 2 B 16 16 ILE CB C 65 37.320 39.003 -1.683 1
1 1191 . 1 2 2 B 16 16 ILE N N 65 117.427 119.193 -1.766 1
1 1192 . 1 2 2 B 17 17 PHE H H 66 8.370 7.585 0.785 1
1 1193 . 1 2 2 B 17 17 PHE HA H 66 4.407 4.940 -0.533 1
1 1200 . 1 2 2 B 17 17 PHE CA C 66 55.374 54.727 0.647 1
1 1201 . 1 2 2 B 17 17 PHE CB C 66 42.270 39.584 2.686 1
1 1205 . 1 2 2 B 17 17 PHE N N 66 117.389 115.284 2.105 1
1 1206 . 1 2 2 B 18 18 PRO HA H 67 4.784 4.766 0.018 1
1 1213 . 1 2 2 B 18 18 PRO CA C 67 62.669 62.281 0.388 1
1 1214 . 1 2 2 B 18 18 PRO CB C 67 32.378 33.066 -0.688 1
1 1217 . 1 2 2 B 19 19 ASP H H 68 9.127 9.093 0.034 1
1 1218 . 1 2 2 B 19 19 ASP HA H 68 4.261 4.427 -0.166 1
1 1221 . 1 2 2 B 19 19 ASP CA C 68 57.927 57.046 0.881 1
1 1222 . 1 2 2 B 19 19 ASP CB C 68 40.451 40.405 0.046 1
1 1223 . 1 2 2 B 19 19 ASP N N 68 123.618 123.022 0.596 1
1 1224 . 1 2 2 B 20 20 SER H H 69 8.624 7.963 0.661 1
1 1225 . 1 2 2 B 20 20 SER HA H 69 4.816 4.376 0.440 1
1 1226 . 1 2 2 B 20 20 SER N N 69 112.914 113.159 -0.245 1
1 1227 . 1 2 2 B 21 21 VAL H H 70 7.380 7.694 -0.314 1
1 1228 . 1 2 2 B 21 21 VAL HA H 70 3.958 4.719 -0.761 1
1 1236 . 1 2 2 B 21 21 VAL CA C 70 64.316 58.962 5.354 1
1 1237 . 1 2 2 B 21 21 VAL CB C 70 32.378 35.821 -3.443 1
1 1240 . 1 2 2 B 21 21 VAL N N 70 123.280 115.629 7.651 1
1 1241 . 1 2 2 B 22 22 MET H H 71 7.638 8.632 -0.994 1
1 1242 . 1 2 2 B 22 22 MET HA H 71 4.266 4.537 -0.271 1
1 1248 . 1 2 2 B 22 22 MET CA C 71 55.844 54.012 1.832 1
1 1249 . 1 2 2 B 22 22 MET CB C 71 31.907 31.127 0.780 1
1 1251 . 1 2 2 B 22 22 MET N N 71 117.825 123.304 -5.479 1
1 1252 . 1 2 2 B 23 23 LEU H H 72 8.102 7.764 0.338 1
1 1253 . 1 2 2 B 23 23 LEU HA H 72 4.132 4.062 0.070 1
1 1263 . 1 2 2 B 23 23 LEU CA C 72 56.786 57.795 -1.009 1
1 1264 . 1 2 2 B 23 23 LEU CB C 72 42.270 41.944 0.326 1
1 1268 . 1 2 2 B 23 23 LEU N N 72 119.633 126.521 -6.888 1
1 1269 . 1 2 2 B 24 24 ALA H H 73 7.464 8.259 -0.795 1
1 1270 . 1 2 2 B 24 24 ALA HA H 73 4.197 4.221 -0.024 1
1 1274 . 1 2 2 B 24 24 ALA CA C 73 84.840 54.462 30.378 1
1 1275 . 1 2 2 B 24 24 ALA CB C 73 19.266 18.598 0.668 1
1 1276 . 1 2 2 B 24 24 ALA N N 73 120.682 121.102 -0.420 1
1 1277 . 1 2 2 B 25 25 VAL H H 74 7.668 7.889 -0.221 1
1 1278 . 1 2 2 B 25 25 VAL HA H 74 4.258 3.860 0.398 1
1 1286 . 1 2 2 B 25 25 VAL CA C 74 62.434 64.236 -1.802 1
1 1287 . 1 2 2 B 25 25 VAL CB C 74 31.672 31.610 0.062 1
1 1290 . 1 2 2 B 25 25 VAL N N 74 112.530 117.077 -4.547 1
1 1291 . 1 2 2 B 26 26 GLN H H 75 7.806 8.110 -0.304 1
1 1292 . 1 2 2 B 26 26 GLN HA H 75 4.308 4.566 -0.258 1
1 1299 . 1 2 2 B 26 26 GLN CA C 75 56.786 55.799 0.987 1
1 1300 . 1 2 2 B 26 26 GLN CB C 75 29.554 30.936 -1.382 1
1 1302 . 1 2 2 B 26 26 GLN N N 75 121.794 116.234 5.560 1
1 1304 . 1 2 2 B 27 27 GLU H H 76 8.340 7.857 0.483 1
1 1305 . 1 2 2 B 27 27 GLU HA H 76 4.349 4.287 0.062 1
1 1310 . 1 2 2 B 27 27 GLU CA C 76 56.315 56.776 -0.461 1
1 1311 . 1 2 2 B 27 27 GLU CB C 76 30.495 30.909 -0.414 1
1 1313 . 1 2 2 B 27 27 GLU N N 76 120.410 121.001 -0.591 1
1 1314 . 1 2 2 B 28 28 GLY H H 77 8.295 8.739 -0.444 1
1 1315 . 1 2 2 B 28 28 GLY HA2 H 77 3.938 4.230 -0.292 1
1 1316 . 1 2 2 B 28 28 GLY HA3 H 77 4.190 4.235 -0.045 1
1 1317 . 1 2 2 B 28 28 GLY CA C 77 45.792 45.077 0.715 1
1 1318 . 1 2 2 B 28 28 GLY N N 77 109.255 111.109 -1.854 1
1 1319 . 1 2 2 B 29 29 ILE H H 78 7.889 8.608 -0.719 1
1 1320 . 1 2 2 B 29 29 ILE HA H 78 4.166 4.022 0.144 1
1 1330 . 1 2 2 B 29 29 ILE CA C 78 60.786 61.788 -1.002 1
1 1331 . 1 2 2 B 29 29 ILE CB C 78 39.203 37.830 1.373 1
1 1335 . 1 2 2 B 29 29 ILE N N 78 119.126 126.460 -7.334 1
1 1336 . 1 2 2 B 30 30 ASP H H 79 8.442 8.937 -0.495 1
1 1337 . 1 2 2 B 30 30 ASP HA H 79 4.577 4.746 -0.169 1
1 1340 . 1 2 2 B 30 30 ASP CA C 79 55.255 53.938 1.317 1
1 1341 . 1 2 2 B 30 30 ASP CB C 79 41.850 39.635 2.215 1
1 1342 . 1 2 2 B 30 30 ASP N N 79 123.665 128.910 -5.245 1
1 1343 . 1 2 2 B 31 31 LEU H H 80 8.141 7.756 0.385 1
1 1344 . 1 2 2 B 31 31 LEU HA H 80 4.292 4.059 0.233 1
1 1354 . 1 2 2 B 31 31 LEU CA C 80 55.205 57.605 -2.400 1
1 1355 . 1 2 2 B 31 31 LEU CB C 80 42.262 42.086 0.176 1
1 1359 . 1 2 2 B 31 31 LEU N N 80 122.359 122.500 -0.141 1
1 1360 . 1 2 2 B 32 32 LEU H H 81 8.840 8.027 0.813 1
1 1361 . 1 2 2 B 32 32 LEU HA H 81 4.256 4.363 -0.107 1
1 1371 . 1 2 2 B 32 32 LEU CA C 81 54.903 57.322 -2.419 1
1 1372 . 1 2 2 B 32 32 LEU CB C 81 42.497 41.321 1.176 1
1 1376 . 1 2 2 B 32 32 LEU N N 81 120.762 118.648 2.114 1
1 1377 . 1 2 2 B 33 33 THR H H 82 7.728 8.065 -0.337 1
1 1378 . 1 2 2 B 33 33 THR HA H 82 4.226 4.084 0.142 1
1 1383 . 1 2 2 B 33 33 THR CA C 82 61.220 64.137 -2.917 1
1 1384 . 1 2 2 B 33 33 THR CB C 82 69.494 68.715 0.779 1
1 1386 . 1 2 2 B 33 33 THR N N 82 113.606 113.047 0.559 1
1 1387 . 1 2 2 B 34 34 PHE H H 83 8.181 7.647 0.534 1
1 1388 . 1 2 2 B 34 34 PHE HA H 83 4.825 4.610 0.215 1
1 1395 . 1 2 2 B 34 34 PHE CA C 83 55.138 56.007 -0.869 1
1 1396 . 1 2 2 B 34 34 PHE CB C 83 39.203 38.810 0.393 1
1 1399 . 1 2 2 B 34 34 PHE N N 83 123.600 118.398 5.202 1
1 1400 . 1 2 2 B 35 35 PRO HA H 84 4.765 4.433 0.332 1
1 1407 . 1 2 2 B 35 35 PRO CA C 84 62.900 62.056 0.844 1
1 1408 . 1 2 2 B 35 35 PRO CB C 84 32.538 32.219 0.319 1
1 1411 . 1 2 2 B 36 36 PRO HA H 85 4.422 4.249 0.173 1
1 1418 . 1 2 2 B 36 36 PRO CA C 85 62.434 62.072 0.362 1
1 1419 . 1 2 2 B 36 36 PRO CB C 85 32.143 32.312 -0.169 1
1 1422 . 1 2 2 B 37 37 ALA H H 86 8.370 8.202 0.168 1
1 1423 . 1 2 2 B 37 37 ALA HA H 86 4.429 4.524 -0.095 1
1 1427 . 1 2 2 B 37 37 ALA CA C 86 50.263 50.914 -0.651 1
1 1428 . 1 2 2 B 37 37 ALA CB C 86 19.972 18.057 1.915 1
1 1429 . 1 2 2 B 37 37 ALA N N 86 125.277 123.990 1.287 1
1 1430 . 1 2 2 B 38 38 PRO HA H 87 4.388 4.444 -0.056 1
1 1437 . 1 2 2 B 38 38 PRO CA C 87 63.140 63.891 -0.751 1
1 1438 . 1 2 2 B 38 38 PRO CB C 87 32.143 32.020 0.123 1
1 1441 . 1 2 2 B 39 39 GLY H H 88 8.503 7.407 1.096 1
1 1442 . 1 2 2 B 39 39 GLY HA2 H 88 3.895 4.045 -0.150 1
1 1443 . 1 2 2 B 39 39 GLY HA3 H 88 3.981 4.049 -0.068 1
1 1444 . 1 2 2 B 39 39 GLY CA C 88 74.671 45.697 28.974 1
1 1445 . 1 2 2 B 39 39 GLY N N 88 109.831 103.763 6.068 1
1 1446 . 1 2 2 B 40 40 SER H H 89 8.800 8.767 0.033 1
1 1447 . 1 2 2 B 40 40 SER HA H 89 4.748 4.987 -0.239 1
1 1450 . 1 2 2 B 40 40 SER CA C 89 56.800 55.884 0.916 1
1 1451 . 1 2 2 B 40 40 SER CB C 89 63.140 65.674 -2.534 1
1 1452 . 1 2 2 B 40 40 SER N N 89 116.937 116.817 0.120 1
1 1453 . 1 2 2 B 41 41 PRO HA H 90 4.441 4.209 0.232 1
1 1460 . 1 2 2 B 41 41 PRO CA C 90 63.140 65.158 -2.018 1
1 1461 . 1 2 2 B 41 41 PRO CB C 90 32.143 31.918 0.225 1
1 6 . 2 1 1 A 2 2 PRO HA H 1765 4.433 4.359 0.074 1
1 13 . 2 1 1 A 2 2 PRO CA C 1765 64.810 64.934 -0.124 1
1 14 . 2 1 1 A 2 2 PRO CB C 1765 31.907 32.101 -0.194 1
1 17 . 2 1 1 A 3 3 GLN H H 1766 8.442 7.775 0.667 1
1 18 . 2 1 1 A 3 3 GLN HA H 1766 3.889 4.096 -0.207 1
1 25 . 2 1 1 A 3 3 GLN CA C 1766 59.103 58.789 0.314 1
1 26 . 2 1 1 A 3 3 GLN CB C 1766 28.595 28.610 -0.015 1
1 28 . 2 1 1 A 3 3 GLN N N 1766 115.685 117.406 -1.721 1
1 30 . 2 1 1 A 4 4 GLU H H 1767 8.161 8.139 0.022 1
1 31 . 2 1 1 A 4 4 GLU HA H 1767 4.197 4.056 0.141 1
1 36 . 2 1 1 A 4 4 GLU CA C 1767 57.727 59.548 -1.821 1
1 37 . 2 1 1 A 4 4 GLU CB C 1767 30.250 29.290 0.960 1
1 39 . 2 1 1 A 4 4 GLU N N 1767 121.941 120.010 1.931 1
1 40 . 2 1 1 A 5 5 SER H H 1768 8.291 8.056 0.235 1
1 41 . 2 1 1 A 5 5 SER HA H 1768 4.280 4.049 0.231 1
1 44 . 2 1 1 A 5 5 SER CA C 1768 60.800 61.605 -0.805 1
1 45 . 2 1 1 A 5 5 SER CB C 1768 63.435 62.917 0.518 1
1 46 . 2 1 1 A 5 5 SER N N 1768 116.360 113.978 2.382 1
1 47 . 2 1 1 A 6 6 ARG H H 1769 7.935 8.145 -0.210 1
1 48 . 2 1 1 A 6 6 ARG HA H 1769 4.120 3.976 0.144 1
1 52 . 2 1 1 A 6 6 ARG N N 1769 122.139 121.218 0.921 1
1 53 . 2 1 1 A 7 7 ARG H H 1770 7.952 7.789 0.163 1
1 54 . 2 1 1 A 7 7 ARG HA H 1770 3.939 3.938 0.001 1
1 61 . 2 1 1 A 7 7 ARG N N 1770 119.527 119.196 0.331 1
1 62 . 2 1 1 A 8 8 LEU H H 1771 8.120 8.453 -0.333 1
1 63 . 2 1 1 A 8 8 LEU HA H 1771 4.188 3.987 0.201 1
1 73 . 2 1 1 A 8 8 LEU CA C 1771 56.786 57.822 -1.036 1
1 74 . 2 1 1 A 8 8 LEU CB C 1771 41.556 41.758 -0.202 1
1 78 . 2 1 1 A 8 8 LEU N N 1771 120.237 120.637 -0.400 1
1 79 . 2 1 1 A 9 9 SER H H 1772 8.860 8.030 0.830 1
1 80 . 2 1 1 A 9 9 SER HA H 1772 4.224 4.025 0.199 1
1 83 . 2 1 1 A 9 9 SER CA C 1772 61.728 62.235 -0.507 1
1 84 . 2 1 1 A 9 9 SER CB C 1772 62.198 63.132 -0.934 1
1 85 . 2 1 1 A 9 9 SER N N 1772 116.214 113.574 2.640 1
1 86 . 2 1 1 A 10 10 ILE H H 1773 8.133 7.780 0.353 1
1 87 . 2 1 1 A 10 10 ILE HA H 1773 3.510 3.546 -0.036 1
1 97 . 2 1 1 A 10 10 ILE CA C 1773 64.787 65.334 -0.547 1
1 98 . 2 1 1 A 10 10 ILE CB C 1773 38.732 37.555 1.177 1
1 102 . 2 1 1 A 10 10 ILE N N 1773 122.927 121.399 1.528 1
1 103 . 2 1 1 A 11 11 GLN H H 1774 8.250 8.226 0.024 1
1 104 . 2 1 1 A 11 11 GLN HA H 1774 3.980 4.067 -0.087 1
1 111 . 2 1 1 A 11 11 GLN CA C 1774 58.900 58.341 0.559 1
1 113 . 2 1 1 A 11 11 GLN N N 1774 118.893 120.004 -1.111 1
1 115 . 2 1 1 A 12 12 ARG H H 1775 8.272 7.913 0.359 1
1 116 . 2 1 1 A 12 12 ARG HA H 1775 4.168 4.075 0.093 1
1 123 . 2 1 1 A 12 12 ARG CA C 1775 57.730 59.258 -1.528 1
1 126 . 2 1 1 A 12 12 ARG N N 1775 119.560 119.228 0.332 1
1 127 . 2 1 1 A 13 13 CYS HA H 1776 4.176 4.078 0.098 1
1 130 . 2 1 1 A 13 13 CYS CA C 1776 63.610 62.204 1.406 1
1 131 . 2 1 1 A 13 13 CYS CB C 1776 26.965 27.247 -0.282 1
1 132 . 2 1 1 A 14 14 ILE H H 1777 8.597 8.200 0.397 1
1 133 . 2 1 1 A 14 14 ILE HA H 1777 3.735 3.691 0.044 1
1 143 . 2 1 1 A 14 14 ILE CA C 1777 65.220 65.065 0.155 1
1 144 . 2 1 1 A 14 14 ILE CB C 1777 37.320 37.290 0.030 1
1 148 . 2 1 1 A 14 14 ILE N N 1777 120.174 120.220 -0.046 1
1 149 . 2 1 1 A 15 15 GLN H H 1778 8.105 8.099 0.006 1
1 150 . 2 1 1 A 15 15 GLN HA H 1778 4.700 4.038 0.662 1
1 157 . 2 1 1 A 15 15 GLN CA C 1778 59.139 59.002 0.137 1
1 158 . 2 1 1 A 15 15 GLN CB C 1778 28.377 28.757 -0.380 1
1 160 . 2 1 1 A 15 15 GLN N N 1778 119.677 120.296 -0.619 1
1 162 . 2 1 1 A 16 16 SER H H 1779 8.115 7.642 0.473 1
1 163 . 2 1 1 A 16 16 SER HA H 1779 4.407 4.110 0.297 1
1 166 . 2 1 1 A 16 16 SER CA C 1779 61.963 62.578 -0.615 1
1 167 . 2 1 1 A 16 16 SER CB C 1779 63.425 62.825 0.600 1
1 168 . 2 1 1 A 16 16 SER N N 1779 116.542 116.471 0.071 1
1 169 . 2 1 1 A 17 17 LEU H H 1780 8.496 8.024 0.472 1
1 170 . 2 1 1 A 17 17 LEU HA H 1780 3.970 4.029 -0.059 1
1 180 . 2 1 1 A 17 17 LEU CA C 1780 58.286 58.279 0.007 1
1 181 . 2 1 1 A 17 17 LEU CB C 1780 42.262 41.790 0.472 1
1 185 . 2 1 1 A 17 17 LEU N N 1780 124.870 123.529 1.341 1
1 186 . 2 1 1 A 18 18 VAL H H 1781 8.540 8.235 0.305 1
1 187 . 2 1 1 A 18 18 VAL HA H 1781 3.246 3.508 -0.262 1
1 195 . 2 1 1 A 18 18 VAL CA C 1781 66.905 66.707 0.198 1
1 196 . 2 1 1 A 18 18 VAL CB C 1781 31.672 31.599 0.073 1
1 199 . 2 1 1 A 18 18 VAL N N 1781 119.345 119.121 0.224 1
1 200 . 2 1 1 A 19 19 HIS H H 1782 7.944 8.321 -0.377 1
1 201 . 2 1 1 A 19 19 HIS HA H 1782 4.191 4.090 0.101 1
1 206 . 2 1 1 A 19 19 HIS CA C 1782 59.845 60.221 -0.376 1
1 207 . 2 1 1 A 19 19 HIS CB C 1782 26.965 29.826 -2.861 1
1 210 . 2 1 1 A 19 19 HIS N N 1782 116.521 119.075 -2.554 1
1 211 . 2 1 1 A 20 20 ALA H H 1783 9.830 8.461 1.369 1
1 212 . 2 1 1 A 20 20 ALA HA H 1783 4.367 4.021 0.346 1
1 216 . 2 1 1 A 20 20 ALA CA C 1783 55.191 55.108 0.083 1
1 217 . 2 1 1 A 20 20 ALA CB C 1783 20.695 18.320 2.375 1
1 218 . 2 1 1 A 20 20 ALA N N 1783 121.753 120.417 1.336 1
1 219 . 2 1 1 A 21 21 CYS H H 1784 7.913 7.659 0.254 1
1 220 . 2 1 1 A 21 21 CYS HA H 1784 4.236 4.322 -0.086 1
1 223 . 2 1 1 A 21 21 CYS CA C 1784 61.963 60.526 1.437 1
1 224 . 2 1 1 A 21 21 CYS CB C 1784 26.965 26.804 0.161 1
1 225 . 2 1 1 A 21 21 CYS N N 1784 112.237 115.508 -3.271 1
1 226 . 2 1 1 A 22 22 GLN H H 1785 7.320 8.103 -0.783 1
1 227 . 2 1 1 A 22 22 GLN HA H 1785 4.475 4.429 0.046 1
1 234 . 2 1 1 A 22 22 GLN CA C 1785 54.970 55.231 -0.261 1
1 235 . 2 1 1 A 22 22 GLN CB C 1785 30.731 29.716 1.015 1
1 237 . 2 1 1 A 22 22 GLN N N 1785 115.939 115.383 0.556 1
1 239 . 2 1 1 A 23 23 CYS H H 1786 7.268 7.562 -0.294 1
1 240 . 2 1 1 A 23 23 CYS HA H 1786 3.898 4.146 -0.248 1
1 243 . 2 1 1 A 23 23 CYS CA C 1786 60.800 59.422 1.378 1
1 244 . 2 1 1 A 23 23 CYS CB C 1786 28.848 28.121 0.727 1
1 245 . 2 1 1 A 23 23 CYS N N 1786 124.452 119.626 4.826 1
1 246 . 2 1 1 A 24 24 ARG H H 1787 8.854 8.512 0.342 1
1 247 . 2 1 1 A 24 24 ARG HA H 1787 4.539 4.093 0.446 1
1 254 . 2 1 1 A 24 24 ARG CA C 1787 54.735 57.754 -3.019 1
1 255 . 2 1 1 A 24 24 ARG CB C 1787 30.250 29.651 0.599 1
1 258 . 2 1 1 A 24 24 ARG N N 1787 130.523 125.811 4.712 1
1 259 . 2 1 1 A 25 25 ASN H H 1788 7.553 7.779 -0.226 1
1 260 . 2 1 1 A 25 25 ASN HA H 1788 4.799 4.988 -0.189 1
1 265 . 2 1 1 A 25 25 ASN CA C 1788 51.911 52.091 -0.180 1
1 266 . 2 1 1 A 25 25 ASN CB C 1788 39.203 40.243 -1.040 1
1 267 . 2 1 1 A 25 25 ASN N N 1788 119.613 117.777 1.836 1
1 269 . 2 1 1 A 26 26 ALA H H 1789 9.185 9.055 0.130 1
1 270 . 2 1 1 A 26 26 ALA HA H 1789 4.740 4.043 0.697 1
1 274 . 2 1 1 A 26 26 ALA CA C 1789 54.264 54.787 -0.523 1
1 275 . 2 1 1 A 26 26 ALA CB C 1789 18.796 18.477 0.319 1
1 276 . 2 1 1 A 26 26 ALA N N 1789 130.841 128.671 2.170 1
1 277 . 2 1 1 A 27 27 ASN H H 1790 8.520 7.640 0.880 1
1 278 . 2 1 1 A 27 27 ASN HA H 1790 4.761 4.852 -0.091 1
1 283 . 2 1 1 A 27 27 ASN CA C 1790 51.911 53.564 -1.653 1
1 284 . 2 1 1 A 27 27 ASN CB C 1790 38.967 39.012 -0.045 1
1 285 . 2 1 1 A 27 27 ASN N N 1790 113.345 113.704 -0.359 1
1 287 . 2 1 1 A 28 28 CYS H H 1791 7.224 7.271 -0.047 1
1 288 . 2 1 1 A 28 28 CYS HA H 1791 4.950 4.298 0.652 1
1 291 . 2 1 1 A 28 28 CYS CA C 1791 61.257 60.321 0.936 1
1 292 . 2 1 1 A 28 28 CYS CB C 1791 30.495 29.023 1.472 1
1 293 . 2 1 1 A 28 28 CYS N N 1791 123.463 120.427 3.036 1
1 294 . 2 1 1 A 29 29 SER H H 1792 8.811 8.873 -0.062 1
1 295 . 2 1 1 A 29 29 SER HA H 1792 4.449 4.507 -0.058 1
1 298 . 2 1 1 A 29 29 SER CA C 1792 57.492 59.411 -1.919 1
1 299 . 2 1 1 A 29 29 SER CB C 1792 63.835 63.693 0.142 1
1 300 . 2 1 1 A 29 29 SER N N 1792 125.781 121.305 4.476 1
1 301 . 2 1 1 A 30 30 LEU H H 1793 7.851 7.366 0.485 1
1 302 . 2 1 1 A 30 30 LEU HA H 1793 4.507 4.440 0.067 1
1 312 . 2 1 1 A 30 30 LEU CA C 1793 53.558 53.088 0.470 1
1 313 . 2 1 1 A 30 30 LEU CB C 1793 42.270 43.452 -1.182 1
1 317 . 2 1 1 A 30 30 LEU N N 1793 125.656 123.784 1.872 1
1 318 . 2 1 1 A 31 31 PRO HA H 1794 4.363 4.270 0.093 1
1 325 . 2 1 1 A 31 31 PRO CA C 1794 64.787 64.835 -0.048 1
1 326 . 2 1 1 A 31 31 PRO CB C 1794 32.708 32.097 0.611 1
1 329 . 2 1 1 A 32 32 SER H H 1795 8.625 8.086 0.539 1
1 330 . 2 1 1 A 32 32 SER HA H 1795 4.309 4.202 0.107 1
1 332 . 2 1 1 A 32 32 SER CA C 1795 60.124 61.389 -1.265 1
1 333 . 2 1 1 A 32 32 SER CB C 1795 62.982 62.338 0.644 1
1 334 . 2 1 1 A 32 32 SER N N 1795 112.707 111.969 0.738 1
1 335 . 2 1 1 A 33 33 CYS H H 1796 6.679 8.104 -1.425 1
1 336 . 2 1 1 A 33 33 CYS HA H 1796 4.108 3.979 0.129 1
1 339 . 2 1 1 A 33 33 CYS CA C 1796 62.669 62.746 -0.077 1
1 340 . 2 1 1 A 33 33 CYS CB C 1796 30.495 26.251 4.244 1
1 341 . 2 1 1 A 33 33 CYS N N 1796 126.200 120.755 5.445 1
1 342 . 2 1 1 A 34 34 GLN H H 1797 7.870 7.611 0.259 1
1 343 . 2 1 1 A 34 34 GLN HA H 1797 3.867 3.984 -0.117 1
1 350 . 2 1 1 A 34 34 GLN CA C 1797 59.140 59.048 0.092 1
1 351 . 2 1 1 A 34 34 GLN CB C 1797 31.360 28.316 3.044 1
1 353 . 2 1 1 A 34 34 GLN N N 1797 115.529 119.711 -4.182 1
1 355 . 2 1 1 A 35 35 LYS H H 1798 8.340 7.381 0.959 1
1 356 . 2 1 1 A 35 35 LYS HA H 1798 4.240 4.083 0.157 1
1 365 . 2 1 1 A 35 35 LYS CA C 1798 58.904 59.406 -0.502 1
1 366 . 2 1 1 A 35 35 LYS CB C 1798 32.686 32.112 0.574 1
1 370 . 2 1 1 A 35 35 LYS N N 1798 117.144 120.671 -3.527 1
1 371 . 2 1 1 A 36 36 MET H H 1799 8.163 8.473 -0.310 1
1 372 . 2 1 1 A 36 36 MET HA H 1799 4.369 4.058 0.311 1
1 380 . 2 1 1 A 36 36 MET CA C 1799 56.474 58.674 -2.200 1
1 381 . 2 1 1 A 36 36 MET CB C 1799 31.110 32.109 -0.999 1
1 384 . 2 1 1 A 36 36 MET N N 1799 117.485 118.796 -1.311 1
1 385 . 2 1 1 A 37 37 LYS H H 1800 9.337 8.246 1.091 1
1 386 . 2 1 1 A 37 37 LYS HA H 1800 3.840 3.992 -0.152 1
1 395 . 2 1 1 A 37 37 LYS CA C 1800 61.200 59.935 1.265 1
1 396 . 2 1 1 A 37 37 LYS CB C 1800 32.691 32.343 0.348 1
1 400 . 2 1 1 A 37 37 LYS N N 1800 120.830 119.091 1.739 1
1 401 . 2 1 1 A 38 38 ARG H H 1801 7.399 7.512 -0.113 1
1 402 . 2 1 1 A 38 38 ARG HA H 1801 4.490 4.110 0.380 1
1 409 . 2 1 1 A 38 38 ARG CA C 1801 59.263 59.251 0.012 1
1 410 . 2 1 1 A 38 38 ARG CB C 1801 31.179 29.833 1.346 1
1 413 . 2 1 1 A 38 38 ARG N N 1801 118.965 119.253 -0.288 1
1 414 . 2 1 1 A 39 39 VAL H H 1802 8.420 7.232 1.188 1
1 415 . 2 1 1 A 39 39 VAL HA H 1802 3.239 3.606 -0.367 1
1 423 . 2 1 1 A 39 39 VAL CA C 1802 67.140 66.276 0.864 1
1 424 . 2 1 1 A 39 39 VAL CB C 1802 31.685 31.606 0.079 1
1 427 . 2 1 1 A 39 39 VAL N N 1802 123.140 119.773 3.367 1
1 428 . 2 1 1 A 40 40 VAL H H 1803 8.195 8.319 -0.124 1
1 429 . 2 1 1 A 40 40 VAL HA H 1803 3.403 3.620 -0.217 1
1 437 . 2 1 1 A 40 40 VAL CA C 1803 66.905 66.444 0.461 1
1 438 . 2 1 1 A 40 40 VAL CB C 1803 31.907 31.241 0.666 1
1 441 . 2 1 1 A 40 40 VAL N N 1803 118.716 120.324 -1.608 1
1 442 . 2 1 1 A 41 41 GLN H H 1804 8.310 8.309 0.001 1
1 443 . 2 1 1 A 41 41 GLN HA H 1804 3.916 4.104 -0.188 1
1 450 . 2 1 1 A 41 41 GLN CA C 1804 58.591 58.709 -0.118 1
1 451 . 2 1 1 A 41 41 GLN CB C 1804 28.561 28.952 -0.391 1
1 453 . 2 1 1 A 41 41 GLN N N 1804 119.193 118.542 0.651 1
1 455 . 2 1 1 A 42 42 HIS H H 1805 8.152 7.823 0.329 1
1 456 . 2 1 1 A 42 42 HIS HA H 1805 4.222 4.332 -0.110 1
1 461 . 2 1 1 A 42 42 HIS CA C 1805 59.139 59.359 -0.220 1
1 462 . 2 1 1 A 42 42 HIS CB C 1805 27.201 30.218 -3.017 1
1 465 . 2 1 1 A 42 42 HIS N N 1805 118.579 122.306 -3.727 1
1 466 . 2 1 1 A 43 43 THR H H 1806 7.997 8.249 -0.252 1
1 467 . 2 1 1 A 43 43 THR HA H 1806 3.888 4.058 -0.170 1
1 473 . 2 1 1 A 43 43 THR CA C 1806 65.728 65.426 0.302 1
1 474 . 2 1 1 A 43 43 THR CB C 1806 69.023 68.898 0.125 1
1 476 . 2 1 1 A 43 43 THR N N 1806 113.599 113.794 -0.195 1
1 477 . 2 1 1 A 44 44 LYS H H 1807 7.381 8.696 -1.315 1
1 478 . 2 1 1 A 44 44 LYS HA H 1807 4.190 4.270 -0.080 1
1 487 . 2 1 1 A 44 44 LYS CA C 1807 58.668 58.385 0.283 1
1 488 . 2 1 1 A 44 44 LYS CB C 1807 32.731 31.452 1.279 1
1 492 . 2 1 1 A 44 44 LYS N N 1807 120.270 119.470 0.800 1
1 493 . 2 1 1 A 45 45 GLY H H 1808 7.610 7.806 -0.196 1
1 494 . 2 1 1 A 45 45 GLY HA2 H 1808 3.610 4.040 -0.430 1
1 495 . 2 1 1 A 45 45 GLY HA3 H 1808 4.380 4.056 0.324 1
1 496 . 2 1 1 A 45 45 GLY CA C 1808 44.851 45.286 -0.435 1
1 497 . 2 1 1 A 45 45 GLY N N 1808 125.480 106.551 18.929 1
1 498 . 2 1 1 A 46 46 CYS H H 1809 6.898 7.464 -0.566 1
1 499 . 2 1 1 A 46 46 CYS HA H 1809 3.957 4.181 -0.224 1
1 502 . 2 1 1 A 46 46 CYS CA C 1809 60.551 59.535 1.016 1
1 503 . 2 1 1 A 46 46 CYS CB C 1809 30.260 28.838 1.422 1
1 504 . 2 1 1 A 46 46 CYS N N 1809 123.457 119.919 3.538 1
1 505 . 2 1 1 A 47 47 LYS HA H 1810 4.471 4.183 0.288 1
1 514 . 2 1 1 A 47 47 LYS CA C 1810 56.800 58.177 -1.377 1
1 515 . 2 1 1 A 47 47 LYS CB C 1810 33.840 32.207 1.633 1
1 518 . 2 1 1 A 48 48 ARG H H 1811 8.575 7.357 1.218 1
1 519 . 2 1 1 A 48 48 ARG HA H 1811 4.366 4.543 -0.177 1
1 526 . 2 1 1 A 48 48 ARG CA C 1811 57.256 57.732 -0.476 1
1 527 . 2 1 1 A 48 48 ARG CB C 1811 32.143 32.706 -0.563 1
1 530 . 2 1 1 A 48 48 ARG N N 1811 122.731 119.360 3.371 1
1 531 . 2 1 1 A 49 49 LYS H H 1812 8.663 7.684 0.979 1
1 532 . 2 1 1 A 49 49 LYS HA H 1812 4.521 4.323 0.198 1
1 539 . 2 1 1 A 49 49 LYS CA C 1812 57.256 57.814 -0.558 1
1 540 . 2 1 1 A 49 49 LYS CB C 1812 32.378 32.159 0.219 1
1 543 . 2 1 1 A 49 49 LYS N N 1812 118.409 119.210 -0.801 1
1 544 . 2 1 1 A 50 50 THR HA H 1813 4.710 3.952 0.758 1
1 549 . 2 1 1 A 50 50 THR CA C 1813 63.846 65.700 -1.854 1
1 550 . 2 1 1 A 50 50 THR CB C 1813 68.317 68.253 0.064 1
1 552 . 2 1 1 A 51 51 ASN HA H 1814 4.676 4.378 0.298 1
1 557 . 2 1 1 A 51 51 ASN CA C 1814 82.908 56.324 26.584 1
1 558 . 2 1 1 A 51 51 ASN CB C 1814 38.732 38.557 0.175 1
1 560 . 2 1 1 A 52 52 GLY H H 1815 7.879 7.633 0.246 1
1 561 . 2 1 1 A 52 52 GLY HA2 H 1815 4.300 3.953 0.347 1
1 562 . 2 1 1 A 52 52 GLY HA3 H 1815 3.831 3.955 -0.124 1
1 563 . 2 1 1 A 52 52 GLY CA C 1815 45.557 45.335 0.222 1
1 564 . 2 1 1 A 52 52 GLY N N 1815 129.890 105.787 24.103 1
1 565 . 2 1 1 A 53 53 GLY H H 1816 7.765 7.469 0.296 1
1 566 . 2 1 1 A 53 53 GLY HA2 H 1816 3.885 3.963 -0.078 1
1 567 . 2 1 1 A 53 53 GLY HA3 H 1816 3.985 3.966 0.019 1
1 568 . 2 1 1 A 53 53 GLY CA C 1816 45.792 45.307 0.485 1
1 569 . 2 1 1 A 53 53 GLY N N 1816 128.949 107.741 21.208 1
1 570 . 2 1 1 A 54 54 CYS H H 1817 8.800 8.127 0.673 1
1 571 . 2 1 1 A 54 54 CYS HA H 1817 4.821 4.597 0.224 1
1 574 . 2 1 1 A 54 54 CYS CA C 1817 55.138 57.465 -2.327 1
1 575 . 2 1 1 A 54 54 CYS CB C 1817 30.966 28.904 2.062 1
1 576 . 2 1 1 A 54 54 CYS N N 1817 122.429 119.500 2.929 1
1 577 . 2 1 1 A 55 55 PRO HA H 1818 4.330 4.284 0.046 1
1 584 . 2 1 1 A 55 55 PRO CA C 1818 64.787 65.264 -0.477 1
1 585 . 2 1 1 A 55 55 PRO CB C 1818 32.613 31.989 0.624 1
1 588 . 2 1 1 A 56 56 VAL H H 1819 7.750 7.401 0.349 1
1 589 . 2 1 1 A 56 56 VAL HA H 1819 3.884 3.544 0.340 1
1 597 . 2 1 1 A 56 56 VAL CA C 1819 65.728 66.275 -0.547 1
1 598 . 2 1 1 A 56 56 VAL CB C 1819 32.849 31.190 1.659 1
1 601 . 2 1 1 A 56 56 VAL N N 1819 121.605 115.581 6.024 1
1 602 . 2 1 1 A 57 57 CYS H H 1820 8.884 8.058 0.826 1
1 603 . 2 1 1 A 57 57 CYS HA H 1820 4.106 3.895 0.211 1
1 606 . 2 1 1 A 57 57 CYS CA C 1820 65.728 63.721 2.007 1
1 607 . 2 1 1 A 57 57 CYS CB C 1820 30.250 27.169 3.081 1
1 608 . 2 1 1 A 57 57 CYS N N 1820 124.260 117.492 6.768 1
1 609 . 2 1 1 A 58 58 LYS H H 1821 8.133 7.903 0.230 1
1 610 . 2 1 1 A 58 58 LYS HA H 1821 3.942 3.842 0.100 1
1 619 . 2 1 1 A 58 58 LYS CA C 1821 59.610 59.650 -0.040 1
1 620 . 2 1 1 A 58 58 LYS CB C 1821 32.849 32.156 0.693 1
1 624 . 2 1 1 A 58 58 LYS N N 1821 117.129 121.049 -3.920 1
1 625 . 2 1 1 A 59 59 GLN H H 1822 7.318 7.649 -0.331 1
1 626 . 2 1 1 A 59 59 GLN HA H 1822 4.357 3.956 0.401 1
1 632 . 2 1 1 A 59 59 GLN N N 1822 117.943 118.473 -0.530 1
1 633 . 2 1 1 A 60 60 LEU H H 1823 8.667 7.562 1.105 1
1 634 . 2 1 1 A 60 60 LEU HA H 1823 4.950 3.995 0.955 1
1 647 . 2 1 1 A 60 60 LEU N N 1823 120.670 120.410 0.260 1
1 648 . 2 1 1 A 61 61 ILE H H 1824 8.780 8.337 0.443 1
1 649 . 2 1 1 A 61 61 ILE HA H 1824 3.614 3.606 0.008 1
1 659 . 2 1 1 A 61 61 ILE CA C 1824 64.787 65.450 -0.663 1
1 660 . 2 1 1 A 61 61 ILE CB C 1824 37.320 37.299 0.021 1
1 664 . 2 1 1 A 61 61 ILE N N 1824 119.837 118.766 1.071 1
1 665 . 2 1 1 A 62 62 ALA H H 1825 7.675 8.381 -0.706 1
1 666 . 2 1 1 A 62 62 ALA HA H 1825 4.112 4.117 -0.005 1
1 670 . 2 1 1 A 62 62 ALA CA C 1825 55.374 55.334 0.040 1
1 671 . 2 1 1 A 62 62 ALA CB C 1825 18.560 18.399 0.161 1
1 672 . 2 1 1 A 62 62 ALA N N 1825 122.779 122.230 0.549 1
1 673 . 2 1 1 A 63 63 LEU H H 1826 7.983 7.804 0.179 1
1 674 . 2 1 1 A 63 63 LEU HA H 1826 4.114 4.107 0.007 1
1 684 . 2 1 1 A 63 63 LEU CA C 1826 58.334 57.850 0.484 1
1 685 . 2 1 1 A 63 63 LEU CB C 1826 42.821 41.163 1.658 1
1 689 . 2 1 1 A 63 63 LEU N N 1826 118.291 117.937 0.354 1
1 690 . 2 1 1 A 64 64 CYS H H 1827 8.663 8.449 0.214 1
1 691 . 2 1 1 A 64 64 CYS HA H 1827 4.350 4.228 0.122 1
1 694 . 2 1 1 A 64 64 CYS CA C 1827 64.800 62.742 2.058 1
1 695 . 2 1 1 A 64 64 CYS CB C 1827 26.495 25.653 0.842 1
1 696 . 2 1 1 A 64 64 CYS N N 1827 118.409 117.756 0.653 1
1 697 . 2 1 1 A 65 65 CYS H H 1828 8.672 8.562 0.110 1
1 698 . 2 1 1 A 65 65 CYS HA H 1828 4.152 4.047 0.105 1
1 701 . 2 1 1 A 65 65 CYS CA C 1828 63.547 63.325 0.222 1
1 702 . 2 1 1 A 65 65 CYS CB C 1828 26.495 26.304 0.191 1
1 703 . 2 1 1 A 65 65 CYS N N 1828 118.996 122.384 -3.388 1
1 704 . 2 1 1 A 66 66 TYR H H 1829 7.837 8.516 -0.679 1
1 705 . 2 1 1 A 66 66 TYR HA H 1829 4.199 4.244 -0.045 1
1 712 . 2 1 1 A 66 66 TYR CA C 1829 61.220 61.847 -0.627 1
1 713 . 2 1 1 A 66 66 TYR CB C 1829 38.261 38.388 -0.127 1
1 716 . 2 1 1 A 66 66 TYR N N 1829 120.650 122.207 -1.557 1
1 717 . 2 1 1 A 67 67 HIS H H 1830 8.323 8.401 -0.078 1
1 718 . 2 1 1 A 67 67 HIS HA H 1830 4.341 4.348 -0.007 1
1 723 . 2 1 1 A 67 67 HIS CA C 1830 58.668 60.331 -1.663 1
1 724 . 2 1 1 A 67 67 HIS CB C 1830 27.907 29.868 -1.961 1
1 727 . 2 1 1 A 67 67 HIS N N 1830 117.149 119.522 -2.373 1
1 728 . 2 1 1 A 68 68 ALA H H 1831 8.693 8.536 0.157 1
1 729 . 2 1 1 A 68 68 ALA HA H 1831 4.250 4.037 0.213 1
1 733 . 2 1 1 A 68 68 ALA CA C 1831 55.205 55.362 -0.157 1
1 734 . 2 1 1 A 68 68 ALA CB C 1831 20.695 18.520 2.175 1
1 735 . 2 1 1 A 68 68 ALA N N 1831 121.519 120.872 0.647 1
1 736 . 2 1 1 A 69 69 LYS H H 1832 7.126 8.019 -0.893 1
1 737 . 2 1 1 A 69 69 LYS HA H 1832 3.737 4.070 -0.333 1
1 746 . 2 1 1 A 69 69 LYS CA C 1832 57.962 59.584 -1.622 1
1 747 . 2 1 1 A 69 69 LYS CB C 1832 32.613 31.946 0.667 1
1 751 . 2 1 1 A 69 69 LYS N N 1832 114.376 118.928 -4.552 1
1 752 . 2 1 1 A 70 70 HIS H H 1833 6.884 7.433 -0.549 1
1 753 . 2 1 1 A 70 70 HIS HA H 1833 4.711 4.388 0.323 1
1 758 . 2 1 1 A 70 70 HIS CA C 1833 54.970 57.823 -2.853 1
1 759 . 2 1 1 A 70 70 HIS CB C 1833 31.201 31.003 0.198 1
1 762 . 2 1 1 A 70 70 HIS N N 1833 113.369 114.565 -1.196 1
1 763 . 2 1 1 A 71 71 CYS H H 1834 6.969 7.426 -0.457 1
1 764 . 2 1 1 A 71 71 CYS HA H 1834 4.210 4.166 0.044 1
1 767 . 2 1 1 A 71 71 CYS CA C 1834 60.800 60.089 0.711 1
1 768 . 2 1 1 A 71 71 CYS CB C 1834 30.250 27.925 2.325 1
1 769 . 2 1 1 A 71 71 CYS N N 1834 123.813 117.907 5.906 1
1 770 . 2 1 1 A 72 72 GLN H H 1835 9.101 8.763 0.338 1
1 771 . 2 1 1 A 72 72 GLN HA H 1835 4.646 4.585 0.061 1
1 778 . 2 1 1 A 72 72 GLN CA C 1835 54.735 55.520 -0.785 1
1 779 . 2 1 1 A 72 72 GLN CB C 1835 29.319 30.153 -0.834 1
1 781 . 2 1 1 A 72 72 GLN N N 1835 128.430 123.324 5.106 1
1 783 . 2 1 1 A 73 73 GLU H H 1836 8.331 7.299 1.032 1
1 784 . 2 1 1 A 73 73 GLU HA H 1836 4.365 4.357 0.008 1
1 788 . 2 1 1 A 73 73 GLU CA C 1836 55.374 56.112 -0.738 1
1 789 . 2 1 1 A 73 73 GLU CB C 1836 30.731 30.952 -0.221 1
1 791 . 2 1 1 A 73 73 GLU N N 1836 123.251 123.018 0.233 1
1 792 . 2 1 1 A 74 74 ASN HA H 1837 4.512 4.462 0.050 1
1 797 . 2 1 1 A 74 74 ASN CA C 1837 54.970 55.484 -0.514 1
1 798 . 2 1 1 A 74 74 ASN CB C 1837 38.732 38.395 0.337 1
1 800 . 2 1 1 A 75 75 LYS H H 1838 8.779 7.795 0.984 1
1 801 . 2 1 1 A 75 75 LYS HA H 1838 4.424 4.610 -0.186 1
1 810 . 2 1 1 A 75 75 LYS CA C 1838 54.735 55.085 -0.350 1
1 811 . 2 1 1 A 75 75 LYS CB C 1838 30.966 33.032 -2.066 1
1 815 . 2 1 1 A 75 75 LYS N N 1838 121.350 115.330 6.020 1
1 816 . 2 1 1 A 76 76 CYS H H 1839 7.590 6.978 0.612 1
1 817 . 2 1 1 A 76 76 CYS HA H 1839 4.361 4.371 -0.010 1
1 820 . 2 1 1 A 76 76 CYS CA C 1839 57.256 57.704 -0.448 1
1 821 . 2 1 1 A 76 76 CYS CB C 1839 30.731 28.309 2.422 1
1 822 . 2 1 1 A 76 76 CYS N N 1839 124.209 121.412 2.797 1
1 823 . 2 1 1 A 77 77 PRO HA H 1840 4.651 4.393 0.258 1
1 830 . 2 1 1 A 77 77 PRO CA C 1840 62.669 64.291 -1.622 1
1 831 . 2 1 1 A 77 77 PRO CB C 1840 32.849 31.915 0.934 1
1 834 . 2 1 1 A 78 78 VAL H H 1841 8.962 7.796 1.166 1
1 835 . 2 1 1 A 78 78 VAL HA H 1841 4.199 4.182 0.017 1
1 843 . 2 1 1 A 78 78 VAL CA C 1841 61.257 60.907 0.350 1
1 844 . 2 1 1 A 78 78 VAL CB C 1841 31.672 31.883 -0.211 1
1 847 . 2 1 1 A 78 78 VAL N N 1841 128.606 119.696 8.910 1
1 848 . 2 1 1 A 79 79 PRO HA H 1842 3.936 4.227 -0.291 1
1 855 . 2 1 1 A 79 79 PRO CA C 1842 63.846 65.259 -1.413 1
1 856 . 2 1 1 A 79 79 PRO CB C 1842 30.731 31.352 -0.621 1
1 859 . 2 1 1 A 80 80 PHE HA H 1843 4.255 4.235 0.020 1
1 866 . 2 1 1 A 80 80 PHE CA C 1843 59.374 60.281 -0.907 1
1 867 . 2 1 1 A 80 80 PHE CB C 1843 37.791 38.087 -0.296 1
1 870 . 2 1 1 A 81 81 CYS H H 1844 7.660 8.281 -0.621 1
1 871 . 2 1 1 A 81 81 CYS HA H 1844 3.997 4.185 -0.188 1
1 874 . 2 1 1 A 81 81 CYS CA C 1844 64.552 62.532 2.020 1
1 875 . 2 1 1 A 81 81 CYS CB C 1844 30.495 27.262 3.233 1
1 876 . 2 1 1 A 81 81 CYS N N 1844 124.104 118.745 5.359 1
1 877 . 2 1 1 A 82 82 LEU H H 1845 8.170 8.353 -0.183 1
1 878 . 2 1 1 A 82 82 LEU HA H 1845 3.988 3.963 0.025 1
1 888 . 2 1 1 A 82 82 LEU CA C 1845 57.962 58.209 -0.247 1
1 889 . 2 1 1 A 82 82 LEU CB C 1845 41.321 41.438 -0.117 1
1 893 . 2 1 1 A 82 82 LEU N N 1845 115.950 121.013 -5.063 1
1 894 . 2 1 1 A 83 83 ASN H H 1846 7.826 8.094 -0.268 1
1 895 . 2 1 1 A 83 83 ASN HA H 1846 4.447 4.604 -0.157 1
1 900 . 2 1 1 A 83 83 ASN CA C 1846 56.800 56.512 0.288 1
1 901 . 2 1 1 A 83 83 ASN CB C 1846 38.967 38.672 0.295 1
1 902 . 2 1 1 A 83 83 ASN N N 1846 116.117 118.346 -2.229 1
1 904 . 2 1 1 A 84 84 ILE H H 1847 8.607 8.346 0.261 1
1 905 . 2 1 1 A 84 84 ILE HA H 1847 3.718 3.622 0.096 1
1 915 . 2 1 1 A 84 84 ILE CA C 1847 64.787 65.495 -0.708 1
1 916 . 2 1 1 A 84 84 ILE CB C 1847 38.497 37.948 0.549 1
1 920 . 2 1 1 A 84 84 ILE N N 1847 121.553 120.622 0.931 1
1 921 . 2 1 1 A 85 85 LYS H H 1848 8.855 8.107 0.748 1
1 922 . 2 1 1 A 85 85 LYS HA H 1848 3.859 3.939 -0.080 1
1 931 . 2 1 1 A 85 85 LYS CA C 1848 60.551 59.263 1.288 1
1 932 . 2 1 1 A 85 85 LYS CB C 1848 32.613 32.328 0.285 1
1 936 . 2 1 1 A 85 85 LYS N N 1848 119.992 118.649 1.343 1
1 937 . 2 1 1 A 86 86 HIS H H 1849 8.100 7.952 0.148 1
1 938 . 2 1 1 A 86 86 HIS HA H 1849 4.411 4.325 0.086 1
1 943 . 2 1 1 A 86 86 HIS CA C 1849 58.433 60.051 -1.618 1
1 944 . 2 1 1 A 86 86 HIS CB C 1849 30.495 29.797 0.698 1
1 947 . 2 1 1 A 86 86 HIS N N 1849 117.237 119.658 -2.421 1
1 948 . 2 1 1 A 87 87 LYS H H 1850 7.685 8.388 -0.703 1
1 949 . 2 1 1 A 87 87 LYS HA H 1850 4.128 3.906 0.222 1
1 958 . 2 1 1 A 87 87 LYS CA C 1850 57.727 59.441 -1.714 1
1 959 . 2 1 1 A 87 87 LYS CB C 1850 32.378 32.632 -0.254 1
1 963 . 2 1 1 A 87 87 LYS N N 1850 119.118 117.560 1.558 1
1 964 . 2 1 1 A 88 88 LEU H H 1851 8.230 8.563 -0.333 1
1 965 . 2 1 1 A 88 88 LEU HA H 1851 4.174 3.924 0.250 1
1 975 . 2 1 1 A 88 88 LEU CA C 1851 56.800 57.767 -0.967 1
1 976 . 2 1 1 A 88 88 LEU CB C 1851 42.262 41.563 0.699 1
1 980 . 2 1 1 A 88 88 LEU N N 1851 119.305 120.164 -0.859 1
1 981 . 2 1 1 A 89 89 ARG H H 1852 7.765 8.009 -0.244 1
1 982 . 2 1 1 A 89 89 ARG HA H 1852 4.245 4.128 0.117 1
1 989 . 2 1 1 A 89 89 ARG CA C 1852 56.550 58.759 -2.209 1
1 990 . 2 1 1 A 89 89 ARG CB C 1852 30.260 29.831 0.429 1
1 993 . 2 1 1 A 89 89 ARG N N 1852 118.302 118.470 -0.168 1
1 994 . 2 1 1 A 90 90 GLN H H 1853 7.851 7.693 0.158 1
1 995 . 2 1 1 A 90 90 GLN HA H 1853 4.262 4.121 0.141 1
1 1002 . 2 1 1 A 90 90 GLN CA C 1853 55.609 57.454 -1.845 1
1 1003 . 2 1 1 A 90 90 GLN CB C 1853 29.554 28.534 1.020 1
1 1005 . 2 1 1 A 90 90 GLN N N 1853 119.450 118.419 1.031 1
1 1007 . 2 1 1 A 91 91 GLN H H 1854 8.710 7.348 1.362 1
1 1008 . 2 1 1 A 91 91 GLN HA H 1854 4.317 4.317 0.000 1
1 1015 . 2 1 1 A 91 91 GLN CA C 1854 55.609 55.924 -0.315 1
1 1016 . 2 1 1 A 91 91 GLN CB C 1854 29.554 29.159 0.395 1
1 1018 . 2 1 1 A 91 91 GLN N N 1854 120.675 118.732 1.943 1
1 1038 . 2 2 2 B 2 2 HIS HA H 51 4.636 5.295 -0.659 1
1 1043 . 2 2 2 B 2 2 HIS CA C 51 55.844 53.691 2.153 1
1 1044 . 2 2 2 B 2 2 HIS CB C 51 30.495 32.095 -1.600 1
1 1047 . 2 2 2 B 3 3 MET H H 52 8.230 8.915 -0.685 1
1 1048 . 2 2 2 B 3 3 MET HA H 52 4.430 4.567 -0.137 1
1 1053 . 2 2 2 B 3 3 MET CA C 52 54.903 54.720 0.183 1
1 1054 . 2 2 2 B 3 3 MET CB C 52 33.840 34.119 -0.279 1
1 1056 . 2 2 2 B 3 3 MET N N 52 121.881 118.365 3.516 1
1 1057 . 2 2 2 B 4 4 ALA H H 53 8.269 8.344 -0.075 1
1 1058 . 2 2 2 B 4 4 ALA HA H 53 4.586 4.441 0.145 1
1 1062 . 2 2 2 B 4 4 ALA CA C 53 51.255 50.896 0.359 1
1 1063 . 2 2 2 B 4 4 ALA CB C 53 18.796 17.927 0.869 1
1 1064 . 2 2 2 B 4 4 ALA N N 53 126.758 122.797 3.961 1
1 1065 . 2 2 2 B 5 5 PRO HA H 54 4.705 4.438 0.267 1
1 1072 . 2 2 2 B 5 5 PRO CA C 54 61.257 65.376 -4.119 1
1 1073 . 2 2 2 B 5 5 PRO CB C 54 30.966 31.745 -0.779 1
1 1076 . 2 2 2 B 6 6 GLU H H 55 8.468 7.673 0.795 1
1 1077 . 2 2 2 B 6 6 GLU HA H 55 4.150 4.734 -0.584 1
1 1082 . 2 2 2 B 6 6 GLU CA C 55 56.550 55.639 0.911 1
1 1083 . 2 2 2 B 6 6 GLU CB C 55 30.495 32.666 -2.171 1
1 1085 . 2 2 2 B 6 6 GLU N N 55 121.693 114.056 7.637 1
1 1086 . 2 2 2 B 7 7 ASP H H 56 8.574 8.712 -0.138 1
1 1087 . 2 2 2 B 7 7 ASP HA H 56 5.200 4.950 0.250 1
1 1090 . 2 2 2 B 7 7 ASP CA C 56 51.255 51.127 0.128 1
1 1091 . 2 2 2 B 7 7 ASP CB C 56 42.262 42.695 -0.433 1
1 1092 . 2 2 2 B 7 7 ASP N N 56 120.873 120.249 0.624 1
1 1093 . 2 2 2 B 8 8 PRO HA H 57 4.465 4.374 0.091 1
1 1100 . 2 2 2 B 8 8 PRO CA C 57 63.610 65.435 -1.825 1
1 1101 . 2 2 2 B 8 8 PRO CB C 57 32.378 31.875 0.503 1
1 1104 . 2 2 2 B 9 9 ASN H H 58 8.301 8.467 -0.166 1
1 1105 . 2 2 2 B 9 9 ASN HA H 58 4.809 4.483 0.326 1
1 1110 . 2 2 2 B 9 9 ASN CA C 58 53.558 55.541 -1.983 1
1 1111 . 2 2 2 B 9 9 ASN CB C 58 38.497 37.752 0.745 1
1 1112 . 2 2 2 B 9 9 ASN N N 58 117.190 115.090 2.100 1
1 1114 . 2 2 2 B 10 10 GLU H H 59 7.366 8.823 -1.457 1
1 1115 . 2 2 2 B 10 10 GLU HA H 59 3.641 4.030 -0.389 1
1 1120 . 2 2 2 B 10 10 GLU CA C 59 60.800 58.766 2.034 1
1 1121 . 2 2 2 B 10 10 GLU CB C 59 29.554 28.674 0.880 1
1 1123 . 2 2 2 B 10 10 GLU N N 59 122.354 118.144 4.210 1
1 1124 . 2 2 2 B 11 11 GLU H H 60 8.618 8.467 0.151 1
1 1125 . 2 2 2 B 11 11 GLU HA H 60 3.933 3.968 -0.035 1
1 1130 . 2 2 2 B 11 11 GLU CA C 60 59.139 59.340 -0.201 1
1 1131 . 2 2 2 B 11 11 GLU CB C 60 29.830 29.223 0.607 1
1 1133 . 2 2 2 B 11 11 GLU N N 60 120.391 119.440 0.951 1
1 1134 . 2 2 2 B 12 12 ALA H H 61 8.280 7.837 0.443 1
1 1135 . 2 2 2 B 12 12 ALA HA H 61 4.180 4.178 0.002 1
1 1139 . 2 2 2 B 12 12 ALA CA C 61 55.205 54.497 0.708 1
1 1140 . 2 2 2 B 12 12 ALA CB C 61 20.695 18.760 1.935 1
1 1141 . 2 2 2 B 12 12 ALA N N 61 122.378 122.384 -0.006 1
1 1142 . 2 2 2 B 13 13 VAL H H 62 7.773 7.843 -0.070 1
1 1143 . 2 2 2 B 13 13 VAL HA H 62 3.974 3.133 0.841 1
1 1151 . 2 2 2 B 13 13 VAL CA C 62 66.199 66.644 -0.445 1
1 1152 . 2 2 2 B 13 13 VAL CB C 62 31.907 31.548 0.359 1
1 1155 . 2 2 2 B 13 13 VAL N N 62 116.653 119.126 -2.473 1
1 1156 . 2 2 2 B 14 14 SER H H 63 8.288 8.366 -0.078 1
1 1157 . 2 2 2 B 14 14 SER HA H 63 4.620 3.954 0.666 1
1 1160 . 2 2 2 B 14 14 SER CA C 63 60.786 61.561 -0.775 1
1 1161 . 2 2 2 B 14 14 SER CB C 63 62.434 62.957 -0.523 1
1 1162 . 2 2 2 B 14 14 SER N N 63 115.328 115.246 0.082 1
1 1163 . 2 2 2 B 15 15 GLN H H 64 7.775 8.370 -0.595 1
1 1164 . 2 2 2 B 15 15 GLN HA H 64 4.190 4.069 0.121 1
1 1171 . 2 2 2 B 15 15 GLN CA C 64 57.492 58.268 -0.776 1
1 1172 . 2 2 2 B 15 15 GLN CB C 64 28.613 27.422 1.191 1
1 1174 . 2 2 2 B 15 15 GLN N N 64 119.350 118.234 1.116 1
1 1176 . 2 2 2 B 16 16 ILE H H 65 7.217 7.395 -0.178 1
1 1177 . 2 2 2 B 16 16 ILE HA H 65 3.788 3.915 -0.127 1
1 1186 . 2 2 2 B 16 16 ILE CA C 65 61.492 63.294 -1.802 1
1 1187 . 2 2 2 B 16 16 ILE CB C 65 37.320 38.854 -1.534 1
1 1191 . 2 2 2 B 16 16 ILE N N 65 117.427 119.412 -1.985 1
1 1192 . 2 2 2 B 17 17 PHE H H 66 8.370 7.726 0.644 1
1 1193 . 2 2 2 B 17 17 PHE HA H 66 4.407 4.933 -0.526 1
1 1200 . 2 2 2 B 17 17 PHE CA C 66 55.374 54.728 0.646 1
1 1201 . 2 2 2 B 17 17 PHE CB C 66 42.270 39.608 2.662 1
1 1205 . 2 2 2 B 17 17 PHE N N 66 117.389 115.451 1.938 1
1 1206 . 2 2 2 B 18 18 PRO HA H 67 4.784 4.783 0.001 1
1 1213 . 2 2 2 B 18 18 PRO CA C 67 62.669 62.432 0.237 1
1 1214 . 2 2 2 B 18 18 PRO CB C 67 32.378 33.107 -0.729 1
1 1217 . 2 2 2 B 19 19 ASP H H 68 9.127 9.089 0.038 1
1 1218 . 2 2 2 B 19 19 ASP HA H 68 4.261 4.433 -0.172 1
1 1221 . 2 2 2 B 19 19 ASP CA C 68 57.927 56.768 1.159 1
1 1222 . 2 2 2 B 19 19 ASP CB C 68 40.451 40.300 0.151 1
1 1223 . 2 2 2 B 19 19 ASP N N 68 123.618 123.423 0.195 1
1 1224 . 2 2 2 B 20 20 SER H H 69 8.624 7.836 0.788 1
1 1225 . 2 2 2 B 20 20 SER HA H 69 4.816 4.451 0.365 1
1 1226 . 2 2 2 B 20 20 SER N N 69 112.914 110.416 2.498 1
1 1227 . 2 2 2 B 21 21 VAL H H 70 7.380 7.295 0.085 1
1 1228 . 2 2 2 B 21 21 VAL HA H 70 3.958 4.399 -0.441 1
1 1236 . 2 2 2 B 21 21 VAL CA C 70 64.316 60.373 3.943 1
1 1237 . 2 2 2 B 21 21 VAL CB C 70 32.378 34.492 -2.114 1
1 1240 . 2 2 2 B 21 21 VAL N N 70 123.280 119.284 3.996 1
1 1241 . 2 2 2 B 22 22 MET H H 71 7.638 8.737 -1.099 1
1 1242 . 2 2 2 B 22 22 MET HA H 71 4.266 4.638 -0.372 1
1 1248 . 2 2 2 B 22 22 MET CA C 71 55.844 54.984 0.860 1
1 1249 . 2 2 2 B 22 22 MET CB C 71 31.907 31.467 0.440 1
1 1251 . 2 2 2 B 22 22 MET N N 71 117.825 126.431 -8.606 1
1 1252 . 2 2 2 B 23 23 LEU H H 72 8.102 7.701 0.401 1
1 1253 . 2 2 2 B 23 23 LEU HA H 72 4.132 4.020 0.112 1
1 1263 . 2 2 2 B 23 23 LEU CA C 72 56.786 57.907 -1.121 1
1 1264 . 2 2 2 B 23 23 LEU CB C 72 42.270 42.038 0.232 1
1 1268 . 2 2 2 B 23 23 LEU N N 72 119.633 121.843 -2.210 1
1 1269 . 2 2 2 B 24 24 ALA H H 73 7.464 8.479 -1.015 1
1 1270 . 2 2 2 B 24 24 ALA HA H 73 4.197 4.112 0.085 1
1 1274 . 2 2 2 B 24 24 ALA CA C 73 84.840 55.105 29.735 1
1 1275 . 2 2 2 B 24 24 ALA CB C 73 19.266 18.491 0.775 1
1 1276 . 2 2 2 B 24 24 ALA N N 73 120.682 120.789 -0.107 1
1 1277 . 2 2 2 B 25 25 VAL H H 74 7.668 8.042 -0.374 1
1 1278 . 2 2 2 B 25 25 VAL HA H 74 4.258 3.851 0.407 1
1 1286 . 2 2 2 B 25 25 VAL CA C 74 62.434 64.243 -1.809 1
1 1287 . 2 2 2 B 25 25 VAL CB C 74 31.672 31.586 0.086 1
1 1290 . 2 2 2 B 25 25 VAL N N 74 112.530 117.016 -4.486 1
1 1291 . 2 2 2 B 26 26 GLN H H 75 7.806 7.895 -0.089 1
1 1292 . 2 2 2 B 26 26 GLN HA H 75 4.308 4.419 -0.111 1
1 1299 . 2 2 2 B 26 26 GLN CA C 75 56.786 56.377 0.409 1
1 1300 . 2 2 2 B 26 26 GLN CB C 75 29.554 31.054 -1.500 1
1 1302 . 2 2 2 B 26 26 GLN N N 75 121.794 118.985 2.809 1
1 1304 . 2 2 2 B 27 27 GLU H H 76 8.340 7.840 0.500 1
1 1305 . 2 2 2 B 27 27 GLU HA H 76 4.349 4.287 0.062 1
1 1310 . 2 2 2 B 27 27 GLU CA C 76 56.315 56.853 -0.538 1
1 1311 . 2 2 2 B 27 27 GLU CB C 76 30.495 31.164 -0.669 1
1 1313 . 2 2 2 B 27 27 GLU N N 76 120.410 120.899 -0.489 1
1 1314 . 2 2 2 B 28 28 GLY H H 77 8.295 8.548 -0.253 1
1 1315 . 2 2 2 B 28 28 GLY HA2 H 77 3.938 4.212 -0.274 1
1 1316 . 2 2 2 B 28 28 GLY HA3 H 77 4.190 4.218 -0.028 1
1 1317 . 2 2 2 B 28 28 GLY CA C 77 45.792 45.457 0.335 1
1 1318 . 2 2 2 B 28 28 GLY N N 77 109.255 110.359 -1.104 1
1 1319 . 2 2 2 B 29 29 ILE H H 78 7.889 8.526 -0.637 1
1 1320 . 2 2 2 B 29 29 ILE HA H 78 4.166 3.944 0.222 1
1 1330 . 2 2 2 B 29 29 ILE CA C 78 60.786 61.896 -1.110 1
1 1331 . 2 2 2 B 29 29 ILE CB C 78 39.203 38.222 0.981 1
1 1335 . 2 2 2 B 29 29 ILE N N 78 119.126 125.332 -6.206 1
1 1336 . 2 2 2 B 30 30 ASP H H 79 8.442 8.864 -0.422 1
1 1337 . 2 2 2 B 30 30 ASP HA H 79 4.577 4.697 -0.120 1
1 1340 . 2 2 2 B 30 30 ASP CA C 79 55.255 53.003 2.252 1
1 1341 . 2 2 2 B 30 30 ASP CB C 79 41.850 39.258 2.592 1
1 1342 . 2 2 2 B 30 30 ASP N N 79 123.665 128.004 -4.339 1
1 1343 . 2 2 2 B 31 31 LEU H H 80 8.141 8.145 -0.004 1
1 1344 . 2 2 2 B 31 31 LEU HA H 80 4.292 4.319 -0.027 1
1 1354 . 2 2 2 B 31 31 LEU CA C 80 55.205 57.121 -1.916 1
1 1355 . 2 2 2 B 31 31 LEU CB C 80 42.262 41.854 0.408 1
1 1359 . 2 2 2 B 31 31 LEU N N 80 122.359 126.167 -3.808 1
1 1360 . 2 2 2 B 32 32 LEU H H 81 8.840 7.814 1.026 1
1 1361 . 2 2 2 B 32 32 LEU HA H 81 4.256 4.014 0.242 1
1 1371 . 2 2 2 B 32 32 LEU CA C 81 54.903 57.946 -3.043 1
1 1372 . 2 2 2 B 32 32 LEU CB C 81 42.497 41.709 0.788 1
1 1376 . 2 2 2 B 32 32 LEU N N 81 120.762 118.575 2.187 1
1 1377 . 2 2 2 B 33 33 THR H H 82 7.728 7.768 -0.040 1
1 1378 . 2 2 2 B 33 33 THR HA H 82 4.226 4.185 0.041 1
1 1383 . 2 2 2 B 33 33 THR CA C 82 61.220 63.500 -2.280 1
1 1384 . 2 2 2 B 33 33 THR CB C 82 69.494 68.689 0.805 1
1 1386 . 2 2 2 B 33 33 THR N N 82 113.606 112.202 1.404 1
1 1387 . 2 2 2 B 34 34 PHE H H 83 8.181 7.844 0.337 1
1 1388 . 2 2 2 B 34 34 PHE HA H 83 4.825 4.937 -0.112 1
1 1395 . 2 2 2 B 34 34 PHE CA C 83 55.138 55.769 -0.631 1
1 1396 . 2 2 2 B 34 34 PHE CB C 83 39.203 40.432 -1.229 1
1 1399 . 2 2 2 B 34 34 PHE N N 83 123.600 120.356 3.244 1
1 1400 . 2 2 2 B 35 35 PRO HA H 84 4.765 4.741 0.024 1
1 1407 . 2 2 2 B 35 35 PRO CA C 84 62.900 61.971 0.929 1
1 1408 . 2 2 2 B 35 35 PRO CB C 84 32.538 32.438 0.100 1
1 1411 . 2 2 2 B 36 36 PRO HA H 85 4.422 4.493 -0.071 1
1 1418 . 2 2 2 B 36 36 PRO CA C 85 62.434 64.059 -1.625 1
1 1419 . 2 2 2 B 36 36 PRO CB C 85 32.143 31.774 0.369 1
1 1422 . 2 2 2 B 37 37 ALA H H 86 8.370 7.192 1.178 1
1 1423 . 2 2 2 B 37 37 ALA HA H 86 4.429 4.827 -0.398 1
1 1427 . 2 2 2 B 37 37 ALA CA C 86 50.263 49.907 0.356 1
1 1428 . 2 2 2 B 37 37 ALA CB C 86 19.972 21.658 -1.686 1
1 1429 . 2 2 2 B 37 37 ALA N N 86 125.277 118.933 6.344 1
1 1430 . 2 2 2 B 38 38 PRO HA H 87 4.388 4.504 -0.116 1
1 1437 . 2 2 2 B 38 38 PRO CA C 87 63.140 63.872 -0.732 1
1 1438 . 2 2 2 B 38 38 PRO CB C 87 32.143 32.262 -0.119 1
1 1441 . 2 2 2 B 39 39 GLY H H 88 8.503 8.457 0.046 1
1 1442 . 2 2 2 B 39 39 GLY HA2 H 88 3.895 3.974 -0.079 1
1 1443 . 2 2 2 B 39 39 GLY HA3 H 88 3.981 3.975 0.006 1
1 1444 . 2 2 2 B 39 39 GLY CA C 88 74.671 45.592 29.079 1
1 1445 . 2 2 2 B 39 39 GLY N N 88 109.831 106.860 2.971 1
1 1446 . 2 2 2 B 40 40 SER H H 89 8.800 7.762 1.038 1
1 1447 . 2 2 2 B 40 40 SER HA H 89 4.748 4.482 0.266 1
1 1450 . 2 2 2 B 40 40 SER CA C 89 56.800 57.012 -0.212 1
1 1451 . 2 2 2 B 40 40 SER CB C 89 63.140 63.502 -0.362 1
1 1452 . 2 2 2 B 40 40 SER N N 89 116.937 117.091 -0.154 1
1 1453 . 2 2 2 B 41 41 PRO HA H 90 4.441 4.478 -0.037 1
1 1460 . 2 2 2 B 41 41 PRO CA C 90 63.140 64.174 -1.034 1
1 1461 . 2 2 2 B 41 41 PRO CB C 90 32.143 31.786 0.357 1
1 6 . 3 1 1 A 2 2 PRO HA H 1765 4.433 4.331 0.102 1
1 13 . 3 1 1 A 2 2 PRO CA C 1765 64.810 65.266 -0.456 1
1 14 . 3 1 1 A 2 2 PRO CB C 1765 31.907 31.946 -0.039 1
1 17 . 3 1 1 A 3 3 GLN H H 1766 8.442 8.941 -0.499 1
1 18 . 3 1 1 A 3 3 GLN HA H 1766 3.889 4.055 -0.166 1
1 25 . 3 1 1 A 3 3 GLN CA C 1766 59.103 58.796 0.307 1
1 26 . 3 1 1 A 3 3 GLN CB C 1766 28.595 27.606 0.989 1
1 28 . 3 1 1 A 3 3 GLN N N 1766 115.685 115.616 0.069 1
1 30 . 3 1 1 A 4 4 GLU H H 1767 8.161 8.416 -0.255 1
1 31 . 3 1 1 A 4 4 GLU HA H 1767 4.197 4.085 0.112 1
1 36 . 3 1 1 A 4 4 GLU CA C 1767 57.727 59.214 -1.487 1
1 37 . 3 1 1 A 4 4 GLU CB C 1767 30.250 29.387 0.863 1
1 39 . 3 1 1 A 4 4 GLU N N 1767 121.941 120.717 1.224 1
1 40 . 3 1 1 A 5 5 SER H H 1768 8.291 8.289 0.002 1
1 41 . 3 1 1 A 5 5 SER HA H 1768 4.280 4.138 0.142 1
1 44 . 3 1 1 A 5 5 SER CA C 1768 60.800 61.877 -1.077 1
1 45 . 3 1 1 A 5 5 SER CB C 1768 63.435 62.919 0.516 1
1 46 . 3 1 1 A 5 5 SER N N 1768 116.360 117.300 -0.940 1
1 47 . 3 1 1 A 6 6 ARG H H 1769 7.935 8.030 -0.095 1
1 48 . 3 1 1 A 6 6 ARG HA H 1769 4.120 3.950 0.170 1
1 52 . 3 1 1 A 6 6 ARG N N 1769 122.139 121.203 0.936 1
1 53 . 3 1 1 A 7 7 ARG H H 1770 7.952 7.525 0.427 1
1 54 . 3 1 1 A 7 7 ARG HA H 1770 3.939 4.094 -0.155 1
1 61 . 3 1 1 A 7 7 ARG N N 1770 119.527 119.386 0.141 1
1 62 . 3 1 1 A 8 8 LEU H H 1771 8.120 8.178 -0.058 1
1 63 . 3 1 1 A 8 8 LEU HA H 1771 4.188 4.043 0.145 1
1 73 . 3 1 1 A 8 8 LEU CA C 1771 56.786 57.850 -1.064 1
1 74 . 3 1 1 A 8 8 LEU CB C 1771 41.556 41.299 0.257 1
1 78 . 3 1 1 A 8 8 LEU N N 1771 120.237 120.259 -0.022 1
1 79 . 3 1 1 A 9 9 SER H H 1772 8.860 8.181 0.679 1
1 80 . 3 1 1 A 9 9 SER HA H 1772 4.224 4.138 0.086 1
1 83 . 3 1 1 A 9 9 SER CA C 1772 61.728 61.683 0.045 1
1 84 . 3 1 1 A 9 9 SER CB C 1772 62.198 62.364 -0.166 1
1 85 . 3 1 1 A 9 9 SER N N 1772 116.214 113.790 2.424 1
1 86 . 3 1 1 A 10 10 ILE H H 1773 8.133 7.684 0.449 1
1 87 . 3 1 1 A 10 10 ILE HA H 1773 3.510 3.551 -0.041 1
1 97 . 3 1 1 A 10 10 ILE CA C 1773 64.787 65.133 -0.346 1
1 98 . 3 1 1 A 10 10 ILE CB C 1773 38.732 37.489 1.243 1
1 102 . 3 1 1 A 10 10 ILE N N 1773 122.927 122.808 0.119 1
1 103 . 3 1 1 A 11 11 GLN H H 1774 8.250 7.890 0.360 1
1 104 . 3 1 1 A 11 11 GLN HA H 1774 3.980 4.066 -0.086 1
1 111 . 3 1 1 A 11 11 GLN CA C 1774 58.900 58.171 0.729 1
1 113 . 3 1 1 A 11 11 GLN N N 1774 118.893 119.881 -0.988 1
1 115 . 3 1 1 A 12 12 ARG H H 1775 8.272 7.716 0.556 1
1 116 . 3 1 1 A 12 12 ARG HA H 1775 4.168 4.071 0.097 1
1 123 . 3 1 1 A 12 12 ARG CA C 1775 57.730 59.449 -1.719 1
1 126 . 3 1 1 A 12 12 ARG N N 1775 119.560 119.244 0.316 1
1 127 . 3 1 1 A 13 13 CYS HA H 1776 4.176 4.124 0.052 1
1 130 . 3 1 1 A 13 13 CYS CA C 1776 63.610 62.195 1.415 1
1 131 . 3 1 1 A 13 13 CYS CB C 1776 26.965 27.082 -0.117 1
1 132 . 3 1 1 A 14 14 ILE H H 1777 8.597 8.178 0.419 1
1 133 . 3 1 1 A 14 14 ILE HA H 1777 3.735 3.693 0.042 1
1 143 . 3 1 1 A 14 14 ILE CA C 1777 65.220 65.189 0.031 1
1 144 . 3 1 1 A 14 14 ILE CB C 1777 37.320 37.243 0.077 1
1 148 . 3 1 1 A 14 14 ILE N N 1777 120.174 120.428 -0.254 1
1 149 . 3 1 1 A 15 15 GLN H H 1778 8.105 8.089 0.016 1
1 150 . 3 1 1 A 15 15 GLN HA H 1778 4.700 4.028 0.672 1
1 157 . 3 1 1 A 15 15 GLN CA C 1778 59.139 58.975 0.164 1
1 158 . 3 1 1 A 15 15 GLN CB C 1778 28.377 28.729 -0.352 1
1 160 . 3 1 1 A 15 15 GLN N N 1778 119.677 120.364 -0.687 1
1 162 . 3 1 1 A 16 16 SER H H 1779 8.115 7.652 0.463 1
1 163 . 3 1 1 A 16 16 SER HA H 1779 4.407 4.126 0.281 1
1 166 . 3 1 1 A 16 16 SER CA C 1779 61.963 62.570 -0.607 1
1 167 . 3 1 1 A 16 16 SER CB C 1779 63.425 62.934 0.491 1
1 168 . 3 1 1 A 16 16 SER N N 1779 116.542 116.619 -0.077 1
1 169 . 3 1 1 A 17 17 LEU H H 1780 8.496 8.047 0.449 1
1 170 . 3 1 1 A 17 17 LEU HA H 1780 3.970 4.033 -0.063 1
1 180 . 3 1 1 A 17 17 LEU CA C 1780 58.286 58.339 -0.053 1
1 181 . 3 1 1 A 17 17 LEU CB C 1780 42.262 41.811 0.451 1
1 185 . 3 1 1 A 17 17 LEU N N 1780 124.870 123.275 1.595 1
1 186 . 3 1 1 A 18 18 VAL H H 1781 8.540 8.258 0.282 1
1 187 . 3 1 1 A 18 18 VAL HA H 1781 3.246 3.517 -0.271 1
1 195 . 3 1 1 A 18 18 VAL CA C 1781 66.905 66.721 0.184 1
1 196 . 3 1 1 A 18 18 VAL CB C 1781 31.672 31.641 0.031 1
1 199 . 3 1 1 A 18 18 VAL N N 1781 119.345 119.121 0.224 1
1 200 . 3 1 1 A 19 19 HIS H H 1782 7.944 8.204 -0.260 1
1 201 . 3 1 1 A 19 19 HIS HA H 1782 4.191 4.084 0.107 1
1 206 . 3 1 1 A 19 19 HIS CA C 1782 59.845 60.223 -0.378 1
1 207 . 3 1 1 A 19 19 HIS CB C 1782 26.965 29.656 -2.691 1
1 210 . 3 1 1 A 19 19 HIS N N 1782 116.521 119.074 -2.553 1
1 211 . 3 1 1 A 20 20 ALA H H 1783 9.830 8.362 1.468 1
1 212 . 3 1 1 A 20 20 ALA HA H 1783 4.367 4.070 0.297 1
1 216 . 3 1 1 A 20 20 ALA CA C 1783 55.191 55.077 0.114 1
1 217 . 3 1 1 A 20 20 ALA CB C 1783 20.695 18.360 2.335 1
1 218 . 3 1 1 A 20 20 ALA N N 1783 121.753 120.435 1.318 1
1 219 . 3 1 1 A 21 21 CYS H H 1784 7.913 7.531 0.382 1
1 220 . 3 1 1 A 21 21 CYS HA H 1784 4.236 4.396 -0.160 1
1 223 . 3 1 1 A 21 21 CYS CA C 1784 61.963 60.416 1.547 1
1 224 . 3 1 1 A 21 21 CYS CB C 1784 26.965 26.890 0.075 1
1 225 . 3 1 1 A 21 21 CYS N N 1784 112.237 115.347 -3.110 1
1 226 . 3 1 1 A 22 22 GLN H H 1785 7.320 8.018 -0.698 1
1 227 . 3 1 1 A 22 22 GLN HA H 1785 4.475 4.406 0.069 1
1 234 . 3 1 1 A 22 22 GLN CA C 1785 54.970 55.227 -0.257 1
1 235 . 3 1 1 A 22 22 GLN CB C 1785 30.731 29.690 1.041 1
1 237 . 3 1 1 A 22 22 GLN N N 1785 115.939 115.388 0.551 1
1 239 . 3 1 1 A 23 23 CYS H H 1786 7.268 7.429 -0.161 1
1 240 . 3 1 1 A 23 23 CYS HA H 1786 3.898 4.092 -0.194 1
1 243 . 3 1 1 A 23 23 CYS CA C 1786 60.800 60.182 0.618 1
1 244 . 3 1 1 A 23 23 CYS CB C 1786 28.848 28.879 -0.031 1
1 245 . 3 1 1 A 23 23 CYS N N 1786 124.452 120.067 4.385 1
1 246 . 3 1 1 A 24 24 ARG H H 1787 8.854 8.648 0.206 1
1 247 . 3 1 1 A 24 24 ARG HA H 1787 4.539 4.095 0.444 1
1 254 . 3 1 1 A 24 24 ARG CA C 1787 54.735 57.532 -2.797 1
1 255 . 3 1 1 A 24 24 ARG CB C 1787 30.250 29.868 0.382 1
1 258 . 3 1 1 A 24 24 ARG N N 1787 130.523 125.304 5.219 1
1 259 . 3 1 1 A 25 25 ASN H H 1788 7.553 7.742 -0.189 1
1 260 . 3 1 1 A 25 25 ASN HA H 1788 4.799 4.964 -0.165 1
1 265 . 3 1 1 A 25 25 ASN CA C 1788 51.911 52.058 -0.147 1
1 266 . 3 1 1 A 25 25 ASN CB C 1788 39.203 40.457 -1.254 1
1 267 . 3 1 1 A 25 25 ASN N N 1788 119.613 118.462 1.151 1
1 269 . 3 1 1 A 26 26 ALA H H 1789 9.185 9.140 0.045 1
1 270 . 3 1 1 A 26 26 ALA HA H 1789 4.740 4.041 0.699 1
1 274 . 3 1 1 A 26 26 ALA CA C 1789 54.264 54.757 -0.493 1
1 275 . 3 1 1 A 26 26 ALA CB C 1789 18.796 18.476 0.320 1
1 276 . 3 1 1 A 26 26 ALA N N 1789 130.841 128.945 1.896 1
1 277 . 3 1 1 A 27 27 ASN H H 1790 8.520 7.842 0.678 1
1 278 . 3 1 1 A 27 27 ASN HA H 1790 4.761 4.841 -0.080 1
1 283 . 3 1 1 A 27 27 ASN CA C 1790 51.911 53.488 -1.577 1
1 284 . 3 1 1 A 27 27 ASN CB C 1790 38.967 39.240 -0.273 1
1 285 . 3 1 1 A 27 27 ASN N N 1790 113.345 113.686 -0.341 1
1 287 . 3 1 1 A 28 28 CYS H H 1791 7.224 7.222 0.002 1
1 288 . 3 1 1 A 28 28 CYS HA H 1791 4.950 4.253 0.697 1
1 291 . 3 1 1 A 28 28 CYS CA C 1791 61.257 60.076 1.181 1
1 292 . 3 1 1 A 28 28 CYS CB C 1791 30.495 28.753 1.742 1
1 293 . 3 1 1 A 28 28 CYS N N 1791 123.463 120.747 2.716 1
1 294 . 3 1 1 A 29 29 SER H H 1792 8.811 8.867 -0.056 1
1 295 . 3 1 1 A 29 29 SER HA H 1792 4.449 4.385 0.064 1
1 298 . 3 1 1 A 29 29 SER CA C 1792 57.492 60.020 -2.528 1
1 299 . 3 1 1 A 29 29 SER CB C 1792 63.835 63.226 0.609 1
1 300 . 3 1 1 A 29 29 SER N N 1792 125.781 122.949 2.832 1
1 301 . 3 1 1 A 30 30 LEU H H 1793 7.851 7.328 0.523 1
1 302 . 3 1 1 A 30 30 LEU HA H 1793 4.507 4.358 0.149 1
1 312 . 3 1 1 A 30 30 LEU CA C 1793 53.558 53.153 0.405 1
1 313 . 3 1 1 A 30 30 LEU CB C 1793 42.270 43.153 -0.883 1
1 317 . 3 1 1 A 30 30 LEU N N 1793 125.656 124.273 1.383 1
1 318 . 3 1 1 A 31 31 PRO HA H 1794 4.363 4.257 0.106 1
1 325 . 3 1 1 A 31 31 PRO CA C 1794 64.787 65.270 -0.483 1
1 326 . 3 1 1 A 31 31 PRO CB C 1794 32.708 31.781 0.927 1
1 329 . 3 1 1 A 32 32 SER H H 1795 8.625 8.237 0.388 1
1 330 . 3 1 1 A 32 32 SER HA H 1795 4.309 4.152 0.157 1
1 332 . 3 1 1 A 32 32 SER CA C 1795 60.124 61.590 -1.466 1
1 333 . 3 1 1 A 32 32 SER CB C 1795 62.982 62.812 0.170 1
1 334 . 3 1 1 A 32 32 SER N N 1795 112.707 112.040 0.667 1
1 335 . 3 1 1 A 33 33 CYS H H 1796 6.679 8.061 -1.382 1
1 336 . 3 1 1 A 33 33 CYS HA H 1796 4.108 4.024 0.084 1
1 339 . 3 1 1 A 33 33 CYS CA C 1796 62.669 62.428 0.241 1
1 340 . 3 1 1 A 33 33 CYS CB C 1796 30.495 26.517 3.978 1
1 341 . 3 1 1 A 33 33 CYS N N 1796 126.200 120.905 5.295 1
1 342 . 3 1 1 A 34 34 GLN H H 1797 7.870 8.367 -0.497 1
1 343 . 3 1 1 A 34 34 GLN HA H 1797 3.867 3.913 -0.046 1
1 350 . 3 1 1 A 34 34 GLN CA C 1797 59.140 59.303 -0.163 1
1 351 . 3 1 1 A 34 34 GLN CB C 1797 31.360 28.215 3.145 1
1 353 . 3 1 1 A 34 34 GLN N N 1797 115.529 119.713 -4.184 1
1 355 . 3 1 1 A 35 35 LYS H H 1798 8.340 8.032 0.308 1
1 356 . 3 1 1 A 35 35 LYS HA H 1798 4.240 4.050 0.190 1
1 365 . 3 1 1 A 35 35 LYS CA C 1798 58.904 58.952 -0.048 1
1 366 . 3 1 1 A 35 35 LYS CB C 1798 32.686 31.796 0.890 1
1 370 . 3 1 1 A 35 35 LYS N N 1798 117.144 119.273 -2.129 1
1 371 . 3 1 1 A 36 36 MET H H 1799 8.163 8.115 0.048 1
1 372 . 3 1 1 A 36 36 MET HA H 1799 4.369 4.095 0.274 1
1 380 . 3 1 1 A 36 36 MET CA C 1799 56.474 59.178 -2.704 1
1 381 . 3 1 1 A 36 36 MET CB C 1799 31.110 33.177 -2.067 1
1 384 . 3 1 1 A 36 36 MET N N 1799 117.485 119.385 -1.900 1
1 385 . 3 1 1 A 37 37 LYS H H 1800 9.337 8.245 1.092 1
1 386 . 3 1 1 A 37 37 LYS HA H 1800 3.840 3.994 -0.154 1
1 395 . 3 1 1 A 37 37 LYS CA C 1800 61.200 60.027 1.173 1
1 396 . 3 1 1 A 37 37 LYS CB C 1800 32.691 32.409 0.282 1
1 400 . 3 1 1 A 37 37 LYS N N 1800 120.830 119.242 1.588 1
1 401 . 3 1 1 A 38 38 ARG H H 1801 7.399 7.824 -0.425 1
1 402 . 3 1 1 A 38 38 ARG HA H 1801 4.490 4.037 0.453 1
1 409 . 3 1 1 A 38 38 ARG CA C 1801 59.263 59.415 -0.152 1
1 410 . 3 1 1 A 38 38 ARG CB C 1801 31.179 30.114 1.065 1
1 413 . 3 1 1 A 38 38 ARG N N 1801 118.965 119.648 -0.683 1
1 414 . 3 1 1 A 39 39 VAL H H 1802 8.420 7.861 0.559 1
1 415 . 3 1 1 A 39 39 VAL HA H 1802 3.239 3.796 -0.557 1
1 423 . 3 1 1 A 39 39 VAL CA C 1802 67.140 65.453 1.687 1
1 424 . 3 1 1 A 39 39 VAL CB C 1802 31.685 31.587 0.098 1
1 427 . 3 1 1 A 39 39 VAL N N 1802 123.140 115.773 7.367 1
1 428 . 3 1 1 A 40 40 VAL H H 1803 8.195 8.531 -0.336 1
1 429 . 3 1 1 A 40 40 VAL HA H 1803 3.403 3.586 -0.183 1
1 437 . 3 1 1 A 40 40 VAL CA C 1803 66.905 66.926 -0.021 1
1 438 . 3 1 1 A 40 40 VAL CB C 1803 31.907 31.428 0.479 1
1 441 . 3 1 1 A 40 40 VAL N N 1803 118.716 120.886 -2.170 1
1 442 . 3 1 1 A 41 41 GLN H H 1804 8.310 8.090 0.220 1
1 443 . 3 1 1 A 41 41 GLN HA H 1804 3.916 4.074 -0.158 1
1 450 . 3 1 1 A 41 41 GLN CA C 1804 58.591 58.800 -0.209 1
1 451 . 3 1 1 A 41 41 GLN CB C 1804 28.561 28.163 0.398 1
1 453 . 3 1 1 A 41 41 GLN N N 1804 119.193 118.687 0.506 1
1 455 . 3 1 1 A 42 42 HIS H H 1805 8.152 7.910 0.242 1
1 456 . 3 1 1 A 42 42 HIS HA H 1805 4.222 4.366 -0.144 1
1 461 . 3 1 1 A 42 42 HIS CA C 1805 59.139 59.359 -0.220 1
1 462 . 3 1 1 A 42 42 HIS CB C 1805 27.201 30.284 -3.083 1
1 465 . 3 1 1 A 42 42 HIS N N 1805 118.579 121.240 -2.661 1
1 466 . 3 1 1 A 43 43 THR H H 1806 7.997 8.563 -0.566 1
1 467 . 3 1 1 A 43 43 THR HA H 1806 3.888 4.048 -0.160 1
1 473 . 3 1 1 A 43 43 THR CA C 1806 65.728 65.195 0.533 1
1 474 . 3 1 1 A 43 43 THR CB C 1806 69.023 68.986 0.037 1
1 476 . 3 1 1 A 43 43 THR N N 1806 113.599 113.680 -0.081 1
1 477 . 3 1 1 A 44 44 LYS H H 1807 7.381 8.688 -1.307 1
1 478 . 3 1 1 A 44 44 LYS HA H 1807 4.190 4.247 -0.057 1
1 487 . 3 1 1 A 44 44 LYS CA C 1807 58.668 58.148 0.520 1
1 488 . 3 1 1 A 44 44 LYS CB C 1807 32.731 31.415 1.316 1
1 492 . 3 1 1 A 44 44 LYS N N 1807 120.270 119.472 0.798 1
1 493 . 3 1 1 A 45 45 GLY H H 1808 7.610 7.917 -0.307 1
1 494 . 3 1 1 A 45 45 GLY HA2 H 1808 3.610 4.102 -0.492 1
1 495 . 3 1 1 A 45 45 GLY HA3 H 1808 4.380 4.119 0.261 1
1 496 . 3 1 1 A 45 45 GLY CA C 1808 44.851 45.285 -0.434 1
1 497 . 3 1 1 A 45 45 GLY N N 1808 125.480 106.811 18.669 1
1 498 . 3 1 1 A 46 46 CYS H H 1809 6.898 7.631 -0.733 1
1 499 . 3 1 1 A 46 46 CYS HA H 1809 3.957 4.169 -0.212 1
1 502 . 3 1 1 A 46 46 CYS CA C 1809 60.551 59.387 1.164 1
1 503 . 3 1 1 A 46 46 CYS CB C 1809 30.260 28.643 1.617 1
1 504 . 3 1 1 A 46 46 CYS N N 1809 123.457 119.934 3.523 1
1 505 . 3 1 1 A 47 47 LYS HA H 1810 4.471 4.159 0.312 1
1 514 . 3 1 1 A 47 47 LYS CA C 1810 56.800 58.322 -1.522 1
1 515 . 3 1 1 A 47 47 LYS CB C 1810 33.840 32.369 1.471 1
1 518 . 3 1 1 A 48 48 ARG H H 1811 8.575 7.209 1.366 1
1 519 . 3 1 1 A 48 48 ARG HA H 1811 4.366 4.543 -0.177 1
1 526 . 3 1 1 A 48 48 ARG CA C 1811 57.256 56.237 1.019 1
1 527 . 3 1 1 A 48 48 ARG CB C 1811 32.143 32.645 -0.502 1
1 530 . 3 1 1 A 48 48 ARG N N 1811 122.731 114.246 8.485 1
1 531 . 3 1 1 A 49 49 LYS H H 1812 8.663 7.752 0.911 1
1 532 . 3 1 1 A 49 49 LYS HA H 1812 4.521 4.184 0.337 1
1 539 . 3 1 1 A 49 49 LYS CA C 1812 57.256 58.338 -1.082 1
1 540 . 3 1 1 A 49 49 LYS CB C 1812 32.378 31.105 1.273 1
1 543 . 3 1 1 A 49 49 LYS N N 1812 118.409 116.528 1.881 1
1 544 . 3 1 1 A 50 50 THR HA H 1813 4.710 3.949 0.761 1
1 549 . 3 1 1 A 50 50 THR CA C 1813 63.846 65.918 -2.072 1
1 550 . 3 1 1 A 50 50 THR CB C 1813 68.317 68.157 0.160 1
1 552 . 3 1 1 A 51 51 ASN HA H 1814 4.676 4.337 0.339 1
1 557 . 3 1 1 A 51 51 ASN CA C 1814 82.908 56.335 26.573 1
1 558 . 3 1 1 A 51 51 ASN CB C 1814 38.732 38.443 0.289 1
1 560 . 3 1 1 A 52 52 GLY H H 1815 7.879 7.836 0.043 1
1 561 . 3 1 1 A 52 52 GLY HA2 H 1815 4.300 3.938 0.362 1
1 562 . 3 1 1 A 52 52 GLY HA3 H 1815 3.831 3.941 -0.110 1
1 563 . 3 1 1 A 52 52 GLY CA C 1815 45.557 45.285 0.272 1
1 564 . 3 1 1 A 52 52 GLY N N 1815 129.890 106.019 23.871 1
1 565 . 3 1 1 A 53 53 GLY H H 1816 7.765 7.648 0.117 1
1 566 . 3 1 1 A 53 53 GLY HA2 H 1816 3.885 3.950 -0.065 1
1 567 . 3 1 1 A 53 53 GLY HA3 H 1816 3.985 3.953 0.032 1
1 568 . 3 1 1 A 53 53 GLY CA C 1816 45.792 45.422 0.370 1
1 569 . 3 1 1 A 53 53 GLY N N 1816 128.949 107.947 21.002 1
1 570 . 3 1 1 A 54 54 CYS H H 1817 8.800 8.079 0.721 1
1 571 . 3 1 1 A 54 54 CYS HA H 1817 4.821 4.597 0.224 1
1 574 . 3 1 1 A 54 54 CYS CA C 1817 55.138 57.422 -2.284 1
1 575 . 3 1 1 A 54 54 CYS CB C 1817 30.966 29.088 1.878 1
1 576 . 3 1 1 A 54 54 CYS N N 1817 122.429 119.385 3.044 1
1 577 . 3 1 1 A 55 55 PRO HA H 1818 4.330 4.304 0.026 1
1 584 . 3 1 1 A 55 55 PRO CA C 1818 64.787 65.492 -0.705 1
1 585 . 3 1 1 A 55 55 PRO CB C 1818 32.613 31.853 0.760 1
1 588 . 3 1 1 A 56 56 VAL H H 1819 7.750 7.445 0.305 1
1 589 . 3 1 1 A 56 56 VAL HA H 1819 3.884 3.528 0.356 1
1 597 . 3 1 1 A 56 56 VAL CA C 1819 65.728 66.291 -0.563 1
1 598 . 3 1 1 A 56 56 VAL CB C 1819 32.849 31.158 1.691 1
1 601 . 3 1 1 A 56 56 VAL N N 1819 121.605 115.558 6.047 1
1 602 . 3 1 1 A 57 57 CYS H H 1820 8.884 8.035 0.849 1
1 603 . 3 1 1 A 57 57 CYS HA H 1820 4.106 3.896 0.210 1
1 606 . 3 1 1 A 57 57 CYS CA C 1820 65.728 63.827 1.901 1
1 607 . 3 1 1 A 57 57 CYS CB C 1820 30.250 27.073 3.177 1
1 608 . 3 1 1 A 57 57 CYS N N 1820 124.260 117.417 6.843 1
1 609 . 3 1 1 A 58 58 LYS H H 1821 8.133 8.012 0.121 1
1 610 . 3 1 1 A 58 58 LYS HA H 1821 3.942 3.865 0.077 1
1 619 . 3 1 1 A 58 58 LYS CA C 1821 59.610 59.584 0.026 1
1 620 . 3 1 1 A 58 58 LYS CB C 1821 32.849 32.299 0.550 1
1 624 . 3 1 1 A 58 58 LYS N N 1821 117.129 120.837 -3.708 1
1 625 . 3 1 1 A 59 59 GLN H H 1822 7.318 7.868 -0.550 1
1 626 . 3 1 1 A 59 59 GLN HA H 1822 4.357 3.991 0.366 1
1 632 . 3 1 1 A 59 59 GLN N N 1822 117.943 118.540 -0.597 1
1 633 . 3 1 1 A 60 60 LEU H H 1823 8.667 7.640 1.027 1
1 634 . 3 1 1 A 60 60 LEU HA H 1823 4.950 3.963 0.987 1
1 647 . 3 1 1 A 60 60 LEU N N 1823 120.670 120.476 0.194 1
1 648 . 3 1 1 A 61 61 ILE H H 1824 8.780 8.293 0.487 1
1 649 . 3 1 1 A 61 61 ILE HA H 1824 3.614 3.609 0.005 1
1 659 . 3 1 1 A 61 61 ILE CA C 1824 64.787 65.361 -0.574 1
1 660 . 3 1 1 A 61 61 ILE CB C 1824 37.320 37.194 0.126 1
1 664 . 3 1 1 A 61 61 ILE N N 1824 119.837 119.237 0.600 1
1 665 . 3 1 1 A 62 62 ALA H H 1825 7.675 8.381 -0.706 1
1 666 . 3 1 1 A 62 62 ALA HA H 1825 4.112 4.059 0.053 1
1 670 . 3 1 1 A 62 62 ALA CA C 1825 55.374 55.277 0.097 1
1 671 . 3 1 1 A 62 62 ALA CB C 1825 18.560 18.134 0.426 1
1 672 . 3 1 1 A 62 62 ALA N N 1825 122.779 122.372 0.407 1
1 673 . 3 1 1 A 63 63 LEU H H 1826 7.983 7.757 0.226 1
1 674 . 3 1 1 A 63 63 LEU HA H 1826 4.114 4.072 0.042 1
1 684 . 3 1 1 A 63 63 LEU CA C 1826 58.334 58.076 0.258 1
1 685 . 3 1 1 A 63 63 LEU CB C 1826 42.821 41.287 1.534 1
1 689 . 3 1 1 A 63 63 LEU N N 1826 118.291 118.202 0.089 1
1 690 . 3 1 1 A 64 64 CYS H H 1827 8.663 8.237 0.426 1
1 691 . 3 1 1 A 64 64 CYS HA H 1827 4.350 4.238 0.112 1
1 694 . 3 1 1 A 64 64 CYS CA C 1827 64.800 62.833 1.967 1
1 695 . 3 1 1 A 64 64 CYS CB C 1827 26.495 26.396 0.099 1
1 696 . 3 1 1 A 64 64 CYS N N 1827 118.409 117.547 0.862 1
1 697 . 3 1 1 A 65 65 CYS H H 1828 8.672 8.493 0.179 1
1 698 . 3 1 1 A 65 65 CYS HA H 1828 4.152 4.100 0.052 1
1 701 . 3 1 1 A 65 65 CYS CA C 1828 63.547 62.936 0.611 1
1 702 . 3 1 1 A 65 65 CYS CB C 1828 26.495 26.513 -0.018 1
1 703 . 3 1 1 A 65 65 CYS N N 1828 118.996 121.534 -2.538 1
1 704 . 3 1 1 A 66 66 TYR H H 1829 7.837 8.528 -0.691 1
1 705 . 3 1 1 A 66 66 TYR HA H 1829 4.199 4.196 0.003 1
1 712 . 3 1 1 A 66 66 TYR CA C 1829 61.220 61.847 -0.627 1
1 713 . 3 1 1 A 66 66 TYR CB C 1829 38.261 38.601 -0.340 1
1 716 . 3 1 1 A 66 66 TYR N N 1829 120.650 122.212 -1.562 1
1 717 . 3 1 1 A 67 67 HIS H H 1830 8.323 8.580 -0.257 1
1 718 . 3 1 1 A 67 67 HIS HA H 1830 4.341 4.320 0.021 1
1 723 . 3 1 1 A 67 67 HIS CA C 1830 58.668 60.476 -1.808 1
1 724 . 3 1 1 A 67 67 HIS CB C 1830 27.907 30.002 -2.095 1
1 727 . 3 1 1 A 67 67 HIS N N 1830 117.149 119.770 -2.621 1
1 728 . 3 1 1 A 68 68 ALA H H 1831 8.693 8.629 0.064 1
1 729 . 3 1 1 A 68 68 ALA HA H 1831 4.250 4.055 0.195 1
1 733 . 3 1 1 A 68 68 ALA CA C 1831 55.205 55.417 -0.212 1
1 734 . 3 1 1 A 68 68 ALA CB C 1831 20.695 18.304 2.391 1
1 735 . 3 1 1 A 68 68 ALA N N 1831 121.519 120.826 0.693 1
1 736 . 3 1 1 A 69 69 LYS H H 1832 7.126 8.221 -1.095 1
1 737 . 3 1 1 A 69 69 LYS HA H 1832 3.737 4.031 -0.294 1
1 746 . 3 1 1 A 69 69 LYS CA C 1832 57.962 59.437 -1.475 1
1 747 . 3 1 1 A 69 69 LYS CB C 1832 32.613 31.698 0.915 1
1 751 . 3 1 1 A 69 69 LYS N N 1832 114.376 118.581 -4.205 1
1 752 . 3 1 1 A 70 70 HIS H H 1833 6.884 7.347 -0.463 1
1 753 . 3 1 1 A 70 70 HIS HA H 1833 4.711 4.435 0.276 1
1 758 . 3 1 1 A 70 70 HIS CA C 1833 54.970 57.521 -2.551 1
1 759 . 3 1 1 A 70 70 HIS CB C 1833 31.201 30.222 0.979 1
1 762 . 3 1 1 A 70 70 HIS N N 1833 113.369 114.395 -1.026 1
1 763 . 3 1 1 A 71 71 CYS H H 1834 6.969 7.462 -0.493 1
1 764 . 3 1 1 A 71 71 CYS HA H 1834 4.210 4.258 -0.048 1
1 767 . 3 1 1 A 71 71 CYS CA C 1834 60.800 59.430 1.370 1
1 768 . 3 1 1 A 71 71 CYS CB C 1834 30.250 28.627 1.623 1
1 769 . 3 1 1 A 71 71 CYS N N 1834 123.813 118.746 5.067 1
1 770 . 3 1 1 A 72 72 GLN H H 1835 9.101 8.569 0.532 1
1 771 . 3 1 1 A 72 72 GLN HA H 1835 4.646 4.718 -0.072 1
1 778 . 3 1 1 A 72 72 GLN CA C 1835 54.735 55.387 -0.652 1
1 779 . 3 1 1 A 72 72 GLN CB C 1835 29.319 30.492 -1.173 1
1 781 . 3 1 1 A 72 72 GLN N N 1835 128.430 122.237 6.193 1
1 783 . 3 1 1 A 73 73 GLU H H 1836 8.331 7.261 1.070 1
1 784 . 3 1 1 A 73 73 GLU HA H 1836 4.365 4.336 0.029 1
1 788 . 3 1 1 A 73 73 GLU CA C 1836 55.374 56.450 -1.076 1
1 789 . 3 1 1 A 73 73 GLU CB C 1836 30.731 31.181 -0.450 1
1 791 . 3 1 1 A 73 73 GLU N N 1836 123.251 121.663 1.588 1
1 792 . 3 1 1 A 74 74 ASN HA H 1837 4.512 4.448 0.064 1
1 797 . 3 1 1 A 74 74 ASN CA C 1837 54.970 55.634 -0.664 1
1 798 . 3 1 1 A 74 74 ASN CB C 1837 38.732 38.370 0.362 1
1 800 . 3 1 1 A 75 75 LYS H H 1838 8.779 7.799 0.980 1
1 801 . 3 1 1 A 75 75 LYS HA H 1838 4.424 4.620 -0.196 1
1 810 . 3 1 1 A 75 75 LYS CA C 1838 54.735 54.968 -0.233 1
1 811 . 3 1 1 A 75 75 LYS CB C 1838 30.966 32.893 -1.927 1
1 815 . 3 1 1 A 75 75 LYS N N 1838 121.350 115.343 6.007 1
1 816 . 3 1 1 A 76 76 CYS H H 1839 7.590 6.867 0.723 1
1 817 . 3 1 1 A 76 76 CYS HA H 1839 4.361 4.409 -0.048 1
1 820 . 3 1 1 A 76 76 CYS CA C 1839 57.256 57.706 -0.450 1
1 821 . 3 1 1 A 76 76 CYS CB C 1839 30.731 28.319 2.412 1
1 822 . 3 1 1 A 76 76 CYS N N 1839 124.209 121.403 2.806 1
1 823 . 3 1 1 A 77 77 PRO HA H 1840 4.651 4.392 0.259 1
1 830 . 3 1 1 A 77 77 PRO CA C 1840 62.669 64.284 -1.615 1
1 831 . 3 1 1 A 77 77 PRO CB C 1840 32.849 31.951 0.898 1
1 834 . 3 1 1 A 78 78 VAL H H 1841 8.962 7.779 1.183 1
1 835 . 3 1 1 A 78 78 VAL HA H 1841 4.199 4.178 0.021 1
1 843 . 3 1 1 A 78 78 VAL CA C 1841 61.257 60.933 0.324 1
1 844 . 3 1 1 A 78 78 VAL CB C 1841 31.672 31.910 -0.238 1
1 847 . 3 1 1 A 78 78 VAL N N 1841 128.606 119.686 8.920 1
1 848 . 3 1 1 A 79 79 PRO HA H 1842 3.936 4.215 -0.279 1
1 855 . 3 1 1 A 79 79 PRO CA C 1842 63.846 65.339 -1.493 1
1 856 . 3 1 1 A 79 79 PRO CB C 1842 30.731 31.382 -0.651 1
1 859 . 3 1 1 A 80 80 PHE HA H 1843 4.255 4.195 0.060 1
1 866 . 3 1 1 A 80 80 PHE CA C 1843 59.374 60.422 -1.048 1
1 867 . 3 1 1 A 80 80 PHE CB C 1843 37.791 37.817 -0.026 1
1 870 . 3 1 1 A 81 81 CYS H H 1844 7.660 8.249 -0.589 1
1 871 . 3 1 1 A 81 81 CYS HA H 1844 3.997 4.199 -0.202 1
1 874 . 3 1 1 A 81 81 CYS CA C 1844 64.552 62.498 2.054 1
1 875 . 3 1 1 A 81 81 CYS CB C 1844 30.495 27.289 3.206 1
1 876 . 3 1 1 A 81 81 CYS N N 1844 124.104 118.519 5.585 1
1 877 . 3 1 1 A 82 82 LEU H H 1845 8.170 8.279 -0.109 1
1 878 . 3 1 1 A 82 82 LEU HA H 1845 3.988 3.966 0.022 1
1 888 . 3 1 1 A 82 82 LEU CA C 1845 57.962 58.076 -0.114 1
1 889 . 3 1 1 A 82 82 LEU CB C 1845 41.321 41.382 -0.061 1
1 893 . 3 1 1 A 82 82 LEU N N 1845 115.950 120.894 -4.944 1
1 894 . 3 1 1 A 83 83 ASN H H 1846 7.826 8.339 -0.513 1
1 895 . 3 1 1 A 83 83 ASN HA H 1846 4.447 4.465 -0.018 1
1 900 . 3 1 1 A 83 83 ASN CA C 1846 56.800 56.966 -0.166 1
1 901 . 3 1 1 A 83 83 ASN CB C 1846 38.967 39.135 -0.168 1
1 902 . 3 1 1 A 83 83 ASN N N 1846 116.117 118.272 -2.155 1
1 904 . 3 1 1 A 84 84 ILE H H 1847 8.607 8.444 0.163 1
1 905 . 3 1 1 A 84 84 ILE HA H 1847 3.718 3.578 0.140 1
1 915 . 3 1 1 A 84 84 ILE CA C 1847 64.787 65.629 -0.842 1
1 916 . 3 1 1 A 84 84 ILE CB C 1847 38.497 37.932 0.565 1
1 920 . 3 1 1 A 84 84 ILE N N 1847 121.553 119.426 2.127 1
1 921 . 3 1 1 A 85 85 LYS H H 1848 8.855 8.093 0.762 1
1 922 . 3 1 1 A 85 85 LYS HA H 1848 3.859 3.939 -0.080 1
1 931 . 3 1 1 A 85 85 LYS CA C 1848 60.551 59.287 1.264 1
1 932 . 3 1 1 A 85 85 LYS CB C 1848 32.613 32.340 0.273 1
1 936 . 3 1 1 A 85 85 LYS N N 1848 119.992 118.780 1.212 1
1 937 . 3 1 1 A 86 86 HIS H H 1849 8.100 7.974 0.126 1
1 938 . 3 1 1 A 86 86 HIS HA H 1849 4.411 4.245 0.166 1
1 943 . 3 1 1 A 86 86 HIS CA C 1849 58.433 60.079 -1.646 1
1 944 . 3 1 1 A 86 86 HIS CB C 1849 30.495 29.767 0.728 1
1 947 . 3 1 1 A 86 86 HIS N N 1849 117.237 119.602 -2.365 1
1 948 . 3 1 1 A 87 87 LYS H H 1850 7.685 8.384 -0.699 1
1 949 . 3 1 1 A 87 87 LYS HA H 1850 4.128 3.902 0.226 1
1 958 . 3 1 1 A 87 87 LYS CA C 1850 57.727 59.303 -1.576 1
1 959 . 3 1 1 A 87 87 LYS CB C 1850 32.378 32.694 -0.316 1
1 963 . 3 1 1 A 87 87 LYS N N 1850 119.118 117.517 1.601 1
1 964 . 3 1 1 A 88 88 LEU H H 1851 8.230 8.675 -0.445 1
1 965 . 3 1 1 A 88 88 LEU HA H 1851 4.174 3.950 0.224 1
1 975 . 3 1 1 A 88 88 LEU CA C 1851 56.800 57.961 -1.161 1
1 976 . 3 1 1 A 88 88 LEU CB C 1851 42.262 41.325 0.937 1
1 980 . 3 1 1 A 88 88 LEU N N 1851 119.305 119.991 -0.686 1
1 981 . 3 1 1 A 89 89 ARG H H 1852 7.765 8.156 -0.391 1
1 982 . 3 1 1 A 89 89 ARG HA H 1852 4.245 4.012 0.233 1
1 989 . 3 1 1 A 89 89 ARG CA C 1852 56.550 59.121 -2.571 1
1 990 . 3 1 1 A 89 89 ARG CB C 1852 30.260 29.430 0.830 1
1 993 . 3 1 1 A 89 89 ARG N N 1852 118.302 118.924 -0.622 1
1 994 . 3 1 1 A 90 90 GLN H H 1853 7.851 7.886 -0.035 1
1 995 . 3 1 1 A 90 90 GLN HA H 1853 4.262 4.021 0.241 1
1 1002 . 3 1 1 A 90 90 GLN CA C 1853 55.609 58.157 -2.548 1
1 1003 . 3 1 1 A 90 90 GLN CB C 1853 29.554 28.571 0.983 1
1 1005 . 3 1 1 A 90 90 GLN N N 1853 119.450 118.146 1.304 1
1 1007 . 3 1 1 A 91 91 GLN H H 1854 8.710 7.527 1.183 1
1 1008 . 3 1 1 A 91 91 GLN HA H 1854 4.317 4.125 0.192 1
1 1015 . 3 1 1 A 91 91 GLN CA C 1854 55.609 57.797 -2.188 1
1 1016 . 3 1 1 A 91 91 GLN CB C 1854 29.554 28.786 0.768 1
1 1018 . 3 1 1 A 91 91 GLN N N 1854 120.675 116.813 3.862 1
1 1038 . 3 2 2 B 2 2 HIS HA H 51 4.636 4.817 -0.181 1
1 1043 . 3 2 2 B 2 2 HIS CA C 51 55.844 55.879 -0.035 1
1 1044 . 3 2 2 B 2 2 HIS CB C 51 30.495 32.374 -1.879 1
1 1047 . 3 2 2 B 3 3 MET H H 52 8.230 7.906 0.324 1
1 1048 . 3 2 2 B 3 3 MET HA H 52 4.430 4.362 0.068 1
1 1053 . 3 2 2 B 3 3 MET CA C 52 54.903 55.095 -0.192 1
1 1054 . 3 2 2 B 3 3 MET CB C 52 33.840 32.611 1.229 1
1 1056 . 3 2 2 B 3 3 MET N N 52 121.881 121.839 0.042 1
1 1057 . 3 2 2 B 4 4 ALA H H 53 8.269 8.550 -0.281 1
1 1058 . 3 2 2 B 4 4 ALA HA H 53 4.586 4.511 0.075 1
1 1062 . 3 2 2 B 4 4 ALA CA C 53 51.255 50.733 0.522 1
1 1063 . 3 2 2 B 4 4 ALA CB C 53 18.796 18.049 0.747 1
1 1064 . 3 2 2 B 4 4 ALA N N 53 126.758 124.306 2.452 1
1 1065 . 3 2 2 B 5 5 PRO HA H 54 4.705 4.491 0.214 1
1 1072 . 3 2 2 B 5 5 PRO CA C 54 61.257 65.285 -4.028 1
1 1073 . 3 2 2 B 5 5 PRO CB C 54 30.966 31.876 -0.910 1
1 1076 . 3 2 2 B 6 6 GLU H H 55 8.468 7.565 0.903 1
1 1077 . 3 2 2 B 6 6 GLU HA H 55 4.150 4.668 -0.518 1
1 1082 . 3 2 2 B 6 6 GLU CA C 55 56.550 55.774 0.776 1
1 1083 . 3 2 2 B 6 6 GLU CB C 55 30.495 31.807 -1.312 1
1 1085 . 3 2 2 B 6 6 GLU N N 55 121.693 112.524 9.169 1
1 1086 . 3 2 2 B 7 7 ASP H H 56 8.574 8.799 -0.225 1
1 1087 . 3 2 2 B 7 7 ASP HA H 56 5.200 5.081 0.119 1
1 1090 . 3 2 2 B 7 7 ASP CA C 56 51.255 50.750 0.505 1
1 1091 . 3 2 2 B 7 7 ASP CB C 56 42.262 42.717 -0.455 1
1 1092 . 3 2 2 B 7 7 ASP N N 56 120.873 120.379 0.494 1
1 1093 . 3 2 2 B 8 8 PRO HA H 57 4.465 4.322 0.143 1
1 1100 . 3 2 2 B 8 8 PRO CA C 57 63.610 65.261 -1.651 1
1 1101 . 3 2 2 B 8 8 PRO CB C 57 32.378 31.881 0.497 1
1 1104 . 3 2 2 B 9 9 ASN H H 58 8.301 8.486 -0.185 1
1 1105 . 3 2 2 B 9 9 ASN HA H 58 4.809 4.531 0.278 1
1 1110 . 3 2 2 B 9 9 ASN CA C 58 53.558 55.080 -1.522 1
1 1111 . 3 2 2 B 9 9 ASN CB C 58 38.497 38.005 0.492 1
1 1112 . 3 2 2 B 9 9 ASN N N 58 117.190 115.048 2.142 1
1 1114 . 3 2 2 B 10 10 GLU H H 59 7.366 8.685 -1.319 1
1 1115 . 3 2 2 B 10 10 GLU HA H 59 3.641 4.009 -0.368 1
1 1120 . 3 2 2 B 10 10 GLU CA C 59 60.800 59.188 1.612 1
1 1121 . 3 2 2 B 10 10 GLU CB C 59 29.554 28.865 0.689 1
1 1123 . 3 2 2 B 10 10 GLU N N 59 122.354 118.303 4.051 1
1 1124 . 3 2 2 B 11 11 GLU H H 60 8.618 8.308 0.310 1
1 1125 . 3 2 2 B 11 11 GLU HA H 60 3.933 4.021 -0.088 1
1 1130 . 3 2 2 B 11 11 GLU CA C 60 59.139 59.191 -0.052 1
1 1131 . 3 2 2 B 11 11 GLU CB C 60 29.830 29.345 0.485 1
1 1133 . 3 2 2 B 11 11 GLU N N 60 120.391 120.166 0.225 1
1 1134 . 3 2 2 B 12 12 ALA H H 61 8.280 7.701 0.579 1
1 1135 . 3 2 2 B 12 12 ALA HA H 61 4.180 4.028 0.152 1
1 1139 . 3 2 2 B 12 12 ALA CA C 61 55.205 54.399 0.806 1
1 1140 . 3 2 2 B 12 12 ALA CB C 61 20.695 18.173 2.522 1
1 1141 . 3 2 2 B 12 12 ALA N N 61 122.378 121.285 1.093 1
1 1142 . 3 2 2 B 13 13 VAL H H 62 7.773 7.437 0.336 1
1 1143 . 3 2 2 B 13 13 VAL HA H 62 3.974 3.323 0.651 1
1 1151 . 3 2 2 B 13 13 VAL CA C 62 66.199 66.159 0.040 1
1 1152 . 3 2 2 B 13 13 VAL CB C 62 31.907 31.540 0.367 1
1 1155 . 3 2 2 B 13 13 VAL N N 62 116.653 118.507 -1.854 1
1 1156 . 3 2 2 B 14 14 SER H H 63 8.288 8.111 0.177 1
1 1157 . 3 2 2 B 14 14 SER HA H 63 4.620 3.931 0.689 1
1 1160 . 3 2 2 B 14 14 SER CA C 63 60.786 61.862 -1.076 1
1 1161 . 3 2 2 B 14 14 SER CB C 63 62.434 62.884 -0.450 1
1 1162 . 3 2 2 B 14 14 SER N N 63 115.328 115.770 -0.442 1
1 1163 . 3 2 2 B 15 15 GLN H H 64 7.775 7.899 -0.124 1
1 1164 . 3 2 2 B 15 15 GLN HA H 64 4.190 4.039 0.151 1
1 1171 . 3 2 2 B 15 15 GLN CA C 64 57.492 58.265 -0.773 1
1 1172 . 3 2 2 B 15 15 GLN CB C 64 28.613 27.391 1.222 1
1 1174 . 3 2 2 B 15 15 GLN N N 64 119.350 118.377 0.973 1
1 1176 . 3 2 2 B 16 16 ILE H H 65 7.217 7.382 -0.165 1
1 1177 . 3 2 2 B 16 16 ILE HA H 65 3.788 3.945 -0.157 1
1 1186 . 3 2 2 B 16 16 ILE CA C 65 61.492 63.356 -1.864 1
1 1187 . 3 2 2 B 16 16 ILE CB C 65 37.320 39.045 -1.725 1
1 1191 . 3 2 2 B 16 16 ILE N N 65 117.427 119.264 -1.837 1
1 1192 . 3 2 2 B 17 17 PHE H H 66 8.370 7.662 0.708 1
1 1193 . 3 2 2 B 17 17 PHE HA H 66 4.407 4.941 -0.534 1
1 1200 . 3 2 2 B 17 17 PHE CA C 66 55.374 54.771 0.603 1
1 1201 . 3 2 2 B 17 17 PHE CB C 66 42.270 39.673 2.597 1
1 1205 . 3 2 2 B 17 17 PHE N N 66 117.389 115.327 2.062 1
1 1206 . 3 2 2 B 18 18 PRO HA H 67 4.784 4.757 0.027 1
1 1213 . 3 2 2 B 18 18 PRO CA C 67 62.669 62.356 0.313 1
1 1214 . 3 2 2 B 18 18 PRO CB C 67 32.378 33.419 -1.041 1
1 1217 . 3 2 2 B 19 19 ASP H H 68 9.127 9.071 0.056 1
1 1218 . 3 2 2 B 19 19 ASP HA H 68 4.261 4.452 -0.191 1
1 1221 . 3 2 2 B 19 19 ASP CA C 68 57.927 56.698 1.229 1
1 1222 . 3 2 2 B 19 19 ASP CB C 68 40.451 40.579 -0.128 1
1 1223 . 3 2 2 B 19 19 ASP N N 68 123.618 123.184 0.434 1
1 1224 . 3 2 2 B 20 20 SER H H 69 8.624 7.792 0.832 1
1 1225 . 3 2 2 B 20 20 SER HA H 69 4.816 4.379 0.437 1
1 1226 . 3 2 2 B 20 20 SER N N 69 112.914 111.617 1.297 1
1 1227 . 3 2 2 B 21 21 VAL H H 70 7.380 7.643 -0.263 1
1 1228 . 3 2 2 B 21 21 VAL HA H 70 3.958 4.783 -0.825 1
1 1236 . 3 2 2 B 21 21 VAL CA C 70 64.316 58.642 5.674 1
1 1237 . 3 2 2 B 21 21 VAL CB C 70 32.378 35.489 -3.111 1
1 1240 . 3 2 2 B 21 21 VAL N N 70 123.280 116.773 6.507 1
1 1241 . 3 2 2 B 22 22 MET H H 71 7.638 8.823 -1.185 1
1 1242 . 3 2 2 B 22 22 MET HA H 71 4.266 4.622 -0.356 1
1 1248 . 3 2 2 B 22 22 MET CA C 71 55.844 54.563 1.281 1
1 1249 . 3 2 2 B 22 22 MET CB C 71 31.907 30.625 1.282 1
1 1251 . 3 2 2 B 22 22 MET N N 71 117.825 122.391 -4.566 1
1 1252 . 3 2 2 B 23 23 LEU H H 72 8.102 7.764 0.338 1
1 1253 . 3 2 2 B 23 23 LEU HA H 72 4.132 4.065 0.067 1
1 1263 . 3 2 2 B 23 23 LEU CA C 72 56.786 57.913 -1.127 1
1 1264 . 3 2 2 B 23 23 LEU CB C 72 42.270 42.110 0.160 1
1 1268 . 3 2 2 B 23 23 LEU N N 72 119.633 123.373 -3.740 1
1 1269 . 3 2 2 B 24 24 ALA H H 73 7.464 8.364 -0.900 1
1 1270 . 3 2 2 B 24 24 ALA HA H 73 4.197 4.175 0.022 1
1 1274 . 3 2 2 B 24 24 ALA CA C 73 84.840 54.642 30.198 1
1 1275 . 3 2 2 B 24 24 ALA CB C 73 19.266 18.472 0.794 1
1 1276 . 3 2 2 B 24 24 ALA N N 73 120.682 121.031 -0.349 1
1 1277 . 3 2 2 B 25 25 VAL H H 74 7.668 8.017 -0.349 1
1 1278 . 3 2 2 B 25 25 VAL HA H 74 4.258 3.850 0.408 1
1 1286 . 3 2 2 B 25 25 VAL CA C 74 62.434 64.219 -1.785 1
1 1287 . 3 2 2 B 25 25 VAL CB C 74 31.672 31.561 0.111 1
1 1290 . 3 2 2 B 25 25 VAL N N 74 112.530 116.882 -4.352 1
1 1291 . 3 2 2 B 26 26 GLN H H 75 7.806 8.197 -0.391 1
1 1292 . 3 2 2 B 26 26 GLN HA H 75 4.308 4.561 -0.253 1
1 1299 . 3 2 2 B 26 26 GLN CA C 75 56.786 55.558 1.228 1
1 1300 . 3 2 2 B 26 26 GLN CB C 75 29.554 30.553 -0.999 1
1 1302 . 3 2 2 B 26 26 GLN N N 75 121.794 116.241 5.553 1
1 1304 . 3 2 2 B 27 27 GLU H H 76 8.340 7.699 0.641 1
1 1305 . 3 2 2 B 27 27 GLU HA H 76 4.349 4.315 0.034 1
1 1310 . 3 2 2 B 27 27 GLU CA C 76 56.315 56.841 -0.526 1
1 1311 . 3 2 2 B 27 27 GLU CB C 76 30.495 31.052 -0.557 1
1 1313 . 3 2 2 B 27 27 GLU N N 76 120.410 121.354 -0.944 1
1 1314 . 3 2 2 B 28 28 GLY H H 77 8.295 8.675 -0.380 1
1 1315 . 3 2 2 B 28 28 GLY HA2 H 77 3.938 4.215 -0.277 1
1 1316 . 3 2 2 B 28 28 GLY HA3 H 77 4.190 4.219 -0.029 1
1 1317 . 3 2 2 B 28 28 GLY CA C 77 45.792 45.320 0.472 1
1 1318 . 3 2 2 B 28 28 GLY N N 77 109.255 110.956 -1.701 1
1 1319 . 3 2 2 B 29 29 ILE H H 78 7.889 8.512 -0.623 1
1 1320 . 3 2 2 B 29 29 ILE HA H 78 4.166 3.973 0.193 1
1 1330 . 3 2 2 B 29 29 ILE CA C 78 60.786 61.909 -1.123 1
1 1331 . 3 2 2 B 29 29 ILE CB C 78 39.203 38.227 0.976 1
1 1335 . 3 2 2 B 29 29 ILE N N 78 119.126 125.618 -6.492 1
1 1336 . 3 2 2 B 30 30 ASP H H 79 8.442 8.848 -0.406 1
1 1337 . 3 2 2 B 30 30 ASP HA H 79 4.577 4.821 -0.244 1
1 1340 . 3 2 2 B 30 30 ASP CA C 79 55.255 53.459 1.796 1
1 1341 . 3 2 2 B 30 30 ASP CB C 79 41.850 38.698 3.152 1
1 1342 . 3 2 2 B 30 30 ASP N N 79 123.665 129.732 -6.067 1
1 1343 . 3 2 2 B 31 31 LEU H H 80 8.141 7.702 0.439 1
1 1344 . 3 2 2 B 31 31 LEU HA H 80 4.292 4.070 0.222 1
1 1354 . 3 2 2 B 31 31 LEU CA C 80 55.205 57.481 -2.276 1
1 1355 . 3 2 2 B 31 31 LEU CB C 80 42.262 42.042 0.220 1
1 1359 . 3 2 2 B 31 31 LEU N N 80 122.359 122.832 -0.473 1
1 1360 . 3 2 2 B 32 32 LEU H H 81 8.840 8.044 0.796 1
1 1361 . 3 2 2 B 32 32 LEU HA H 81 4.256 4.328 -0.072 1
1 1371 . 3 2 2 B 32 32 LEU CA C 81 54.903 57.321 -2.418 1
1 1372 . 3 2 2 B 32 32 LEU CB C 81 42.497 41.323 1.174 1
1 1376 . 3 2 2 B 32 32 LEU N N 81 120.762 118.613 2.149 1
1 1377 . 3 2 2 B 33 33 THR H H 82 7.728 7.835 -0.107 1
1 1378 . 3 2 2 B 33 33 THR HA H 82 4.226 4.184 0.042 1
1 1383 . 3 2 2 B 33 33 THR CA C 82 61.220 64.072 -2.852 1
1 1384 . 3 2 2 B 33 33 THR CB C 82 69.494 68.808 0.686 1
1 1386 . 3 2 2 B 33 33 THR N N 82 113.606 112.582 1.024 1
1 1387 . 3 2 2 B 34 34 PHE H H 83 8.181 7.493 0.688 1
1 1388 . 3 2 2 B 34 34 PHE HA H 83 4.825 4.624 0.201 1
1 1395 . 3 2 2 B 34 34 PHE CA C 83 55.138 56.007 -0.869 1
1 1396 . 3 2 2 B 34 34 PHE CB C 83 39.203 38.789 0.414 1
1 1399 . 3 2 2 B 34 34 PHE N N 83 123.600 118.570 5.030 1
1 1400 . 3 2 2 B 35 35 PRO HA H 84 4.765 4.484 0.281 1
1 1407 . 3 2 2 B 35 35 PRO CA C 84 62.900 61.752 1.148 1
1 1408 . 3 2 2 B 35 35 PRO CB C 84 32.538 31.953 0.585 1
1 1411 . 3 2 2 B 36 36 PRO HA H 85 4.422 4.190 0.232 1
1 1418 . 3 2 2 B 36 36 PRO CA C 85 62.434 64.509 -2.075 1
1 1419 . 3 2 2 B 36 36 PRO CB C 85 32.143 32.075 0.068 1
1 1422 . 3 2 2 B 37 37 ALA H H 86 8.370 7.146 1.224 1
1 1423 . 3 2 2 B 37 37 ALA HA H 86 4.429 4.744 -0.315 1
1 1427 . 3 2 2 B 37 37 ALA CA C 86 50.263 49.673 0.590 1
1 1428 . 3 2 2 B 37 37 ALA CB C 86 19.972 21.877 -1.905 1
1 1429 . 3 2 2 B 37 37 ALA N N 86 125.277 116.466 8.811 1
1 1430 . 3 2 2 B 38 38 PRO HA H 87 4.388 4.540 -0.152 1
1 1437 . 3 2 2 B 38 38 PRO CA C 87 63.140 63.840 -0.700 1
1 1438 . 3 2 2 B 38 38 PRO CB C 87 32.143 32.029 0.114 1
1 1441 . 3 2 2 B 39 39 GLY H H 88 8.503 8.357 0.146 1
1 1442 . 3 2 2 B 39 39 GLY HA2 H 88 3.895 3.936 -0.041 1
1 1443 . 3 2 2 B 39 39 GLY HA3 H 88 3.981 3.937 0.044 1
1 1444 . 3 2 2 B 39 39 GLY CA C 88 74.671 46.304 28.367 1
1 1445 . 3 2 2 B 39 39 GLY N N 88 109.831 108.831 1.000 1
1 1446 . 3 2 2 B 40 40 SER H H 89 8.800 8.175 0.625 1
1 1447 . 3 2 2 B 40 40 SER HA H 89 4.748 5.008 -0.260 1
1 1450 . 3 2 2 B 40 40 SER CA C 89 56.800 55.248 1.552 1
1 1451 . 3 2 2 B 40 40 SER CB C 89 63.140 65.873 -2.733 1
1 1452 . 3 2 2 B 40 40 SER N N 89 116.937 119.902 -2.965 1
1 1453 . 3 2 2 B 41 41 PRO HA H 90 4.441 4.466 -0.025 1
1 1460 . 3 2 2 B 41 41 PRO CA C 90 63.140 64.074 -0.934 1
1 1461 . 3 2 2 B 41 41 PRO CB C 90 32.143 31.924 0.219 1
1 6 . 4 1 1 A 2 2 PRO HA H 1765 4.433 4.269 0.164 1
1 13 . 4 1 1 A 2 2 PRO CA C 1765 64.810 65.430 -0.620 1
1 14 . 4 1 1 A 2 2 PRO CB C 1765 31.907 31.891 0.016 1
1 17 . 4 1 1 A 3 3 GLN H H 1766 8.442 8.302 0.140 1
1 18 . 4 1 1 A 3 3 GLN HA H 1766 3.889 4.029 -0.140 1
1 25 . 4 1 1 A 3 3 GLN CA C 1766 59.103 59.134 -0.031 1
1 26 . 4 1 1 A 3 3 GLN CB C 1766 28.595 27.664 0.931 1
1 28 . 4 1 1 A 3 3 GLN N N 1766 115.685 118.213 -2.528 1
1 30 . 4 1 1 A 4 4 GLU H H 1767 8.161 8.334 -0.173 1
1 31 . 4 1 1 A 4 4 GLU HA H 1767 4.197 4.070 0.127 1
1 36 . 4 1 1 A 4 4 GLU CA C 1767 57.727 59.370 -1.643 1
1 37 . 4 1 1 A 4 4 GLU CB C 1767 30.250 29.418 0.832 1
1 39 . 4 1 1 A 4 4 GLU N N 1767 121.941 120.166 1.775 1
1 40 . 4 1 1 A 5 5 SER H H 1768 8.291 8.098 0.193 1
1 41 . 4 1 1 A 5 5 SER HA H 1768 4.280 4.115 0.165 1
1 44 . 4 1 1 A 5 5 SER CA C 1768 60.800 61.864 -1.064 1
1 45 . 4 1 1 A 5 5 SER CB C 1768 63.435 62.803 0.632 1
1 46 . 4 1 1 A 5 5 SER N N 1768 116.360 117.357 -0.997 1
1 47 . 4 1 1 A 6 6 ARG H H 1769 7.935 7.970 -0.035 1
1 48 . 4 1 1 A 6 6 ARG HA H 1769 4.120 4.120 0.000 1
1 52 . 4 1 1 A 6 6 ARG N N 1769 122.139 121.954 0.185 1
1 53 . 4 1 1 A 7 7 ARG H H 1770 7.952 7.766 0.186 1
1 54 . 4 1 1 A 7 7 ARG HA H 1770 3.939 3.973 -0.034 1
1 61 . 4 1 1 A 7 7 ARG N N 1770 119.527 119.792 -0.265 1
1 62 . 4 1 1 A 8 8 LEU H H 1771 8.120 8.466 -0.346 1
1 63 . 4 1 1 A 8 8 LEU HA H 1771 4.188 3.993 0.195 1
1 73 . 4 1 1 A 8 8 LEU CA C 1771 56.786 57.823 -1.037 1
1 74 . 4 1 1 A 8 8 LEU CB C 1771 41.556 41.726 -0.170 1
1 78 . 4 1 1 A 8 8 LEU N N 1771 120.237 120.564 -0.327 1
1 79 . 4 1 1 A 9 9 SER H H 1772 8.860 7.933 0.927 1
1 80 . 4 1 1 A 9 9 SER HA H 1772 4.224 4.029 0.195 1
1 83 . 4 1 1 A 9 9 SER CA C 1772 61.728 62.303 -0.575 1
1 84 . 4 1 1 A 9 9 SER CB C 1772 62.198 63.151 -0.953 1
1 85 . 4 1 1 A 9 9 SER N N 1772 116.214 113.581 2.633 1
1 86 . 4 1 1 A 10 10 ILE H H 1773 8.133 7.789 0.344 1
1 87 . 4 1 1 A 10 10 ILE HA H 1773 3.510 3.549 -0.039 1
1 97 . 4 1 1 A 10 10 ILE CA C 1773 64.787 65.248 -0.461 1
1 98 . 4 1 1 A 10 10 ILE CB C 1773 38.732 37.544 1.188 1
1 102 . 4 1 1 A 10 10 ILE N N 1773 122.927 121.646 1.281 1
1 103 . 4 1 1 A 11 11 GLN H H 1774 8.250 8.349 -0.099 1
1 104 . 4 1 1 A 11 11 GLN HA H 1774 3.980 4.055 -0.075 1
1 111 . 4 1 1 A 11 11 GLN CA C 1774 58.900 58.530 0.370 1
1 113 . 4 1 1 A 11 11 GLN N N 1774 118.893 120.184 -1.291 1
1 115 . 4 1 1 A 12 12 ARG H H 1775 8.272 8.011 0.261 1
1 116 . 4 1 1 A 12 12 ARG HA H 1775 4.168 4.030 0.138 1
1 123 . 4 1 1 A 12 12 ARG CA C 1775 57.730 59.506 -1.776 1
1 126 . 4 1 1 A 12 12 ARG N N 1775 119.560 119.154 0.406 1
1 127 . 4 1 1 A 13 13 CYS HA H 1776 4.176 4.148 0.028 1
1 130 . 4 1 1 A 13 13 CYS CA C 1776 63.610 64.017 -0.407 1
1 131 . 4 1 1 A 13 13 CYS CB C 1776 26.965 27.209 -0.244 1
1 132 . 4 1 1 A 14 14 ILE H H 1777 8.597 7.954 0.643 1
1 133 . 4 1 1 A 14 14 ILE HA H 1777 3.735 3.717 0.018 1
1 143 . 4 1 1 A 14 14 ILE CA C 1777 65.220 65.039 0.181 1
1 144 . 4 1 1 A 14 14 ILE CB C 1777 37.320 36.922 0.398 1
1 148 . 4 1 1 A 14 14 ILE N N 1777 120.174 121.484 -1.310 1
1 149 . 4 1 1 A 15 15 GLN H H 1778 8.105 8.443 -0.338 1
1 150 . 4 1 1 A 15 15 GLN HA H 1778 4.700 4.022 0.678 1
1 157 . 4 1 1 A 15 15 GLN CA C 1778 59.139 59.057 0.082 1
1 158 . 4 1 1 A 15 15 GLN CB C 1778 28.377 28.850 -0.473 1
1 160 . 4 1 1 A 15 15 GLN N N 1778 119.677 119.757 -0.080 1
1 162 . 4 1 1 A 16 16 SER H H 1779 8.115 7.511 0.604 1
1 163 . 4 1 1 A 16 16 SER HA H 1779 4.407 4.261 0.146 1
1 166 . 4 1 1 A 16 16 SER CA C 1779 61.963 61.467 0.496 1
1 167 . 4 1 1 A 16 16 SER CB C 1779 63.425 62.999 0.426 1
1 168 . 4 1 1 A 16 16 SER N N 1779 116.542 115.370 1.172 1
1 169 . 4 1 1 A 17 17 LEU H H 1780 8.496 8.155 0.341 1
1 170 . 4 1 1 A 17 17 LEU HA H 1780 3.970 4.051 -0.081 1
1 180 . 4 1 1 A 17 17 LEU CA C 1780 58.286 58.299 -0.013 1
1 181 . 4 1 1 A 17 17 LEU CB C 1780 42.262 41.770 0.492 1
1 185 . 4 1 1 A 17 17 LEU N N 1780 124.870 122.396 2.474 1
1 186 . 4 1 1 A 18 18 VAL H H 1781 8.540 8.227 0.313 1
1 187 . 4 1 1 A 18 18 VAL HA H 1781 3.246 3.532 -0.286 1
1 195 . 4 1 1 A 18 18 VAL CA C 1781 66.905 66.799 0.106 1
1 196 . 4 1 1 A 18 18 VAL CB C 1781 31.672 31.651 0.021 1
1 199 . 4 1 1 A 18 18 VAL N N 1781 119.345 119.113 0.232 1
1 200 . 4 1 1 A 19 19 HIS H H 1782 7.944 8.161 -0.217 1
1 201 . 4 1 1 A 19 19 HIS HA H 1782 4.191 4.089 0.102 1
1 206 . 4 1 1 A 19 19 HIS CA C 1782 59.845 60.223 -0.378 1
1 207 . 4 1 1 A 19 19 HIS CB C 1782 26.965 29.756 -2.791 1
1 210 . 4 1 1 A 19 19 HIS N N 1782 116.521 119.134 -2.613 1
1 211 . 4 1 1 A 20 20 ALA H H 1783 9.830 8.458 1.372 1
1 212 . 4 1 1 A 20 20 ALA HA H 1783 4.367 4.048 0.319 1
1 216 . 4 1 1 A 20 20 ALA CA C 1783 55.191 55.103 0.088 1
1 217 . 4 1 1 A 20 20 ALA CB C 1783 20.695 18.370 2.325 1
1 218 . 4 1 1 A 20 20 ALA N N 1783 121.753 120.419 1.334 1
1 219 . 4 1 1 A 21 21 CYS H H 1784 7.913 7.643 0.270 1
1 220 . 4 1 1 A 21 21 CYS HA H 1784 4.236 4.333 -0.097 1
1 223 . 4 1 1 A 21 21 CYS CA C 1784 61.963 60.497 1.466 1
1 224 . 4 1 1 A 21 21 CYS CB C 1784 26.965 26.800 0.165 1
1 225 . 4 1 1 A 21 21 CYS N N 1784 112.237 115.477 -3.240 1
1 226 . 4 1 1 A 22 22 GLN H H 1785 7.320 8.067 -0.747 1
1 227 . 4 1 1 A 22 22 GLN HA H 1785 4.475 4.429 0.046 1
1 234 . 4 1 1 A 22 22 GLN CA C 1785 54.970 55.232 -0.262 1
1 235 . 4 1 1 A 22 22 GLN CB C 1785 30.731 29.799 0.932 1
1 237 . 4 1 1 A 22 22 GLN N N 1785 115.939 115.556 0.383 1
1 239 . 4 1 1 A 23 23 CYS H H 1786 7.268 7.491 -0.223 1
1 240 . 4 1 1 A 23 23 CYS HA H 1786 3.898 4.131 -0.233 1
1 243 . 4 1 1 A 23 23 CYS CA C 1786 60.800 59.945 0.855 1
1 244 . 4 1 1 A 23 23 CYS CB C 1786 28.848 28.436 0.412 1
1 245 . 4 1 1 A 23 23 CYS N N 1786 124.452 119.624 4.828 1
1 246 . 4 1 1 A 24 24 ARG H H 1787 8.854 8.571 0.283 1
1 247 . 4 1 1 A 24 24 ARG HA H 1787 4.539 4.073 0.466 1
1 254 . 4 1 1 A 24 24 ARG CA C 1787 54.735 57.757 -3.022 1
1 255 . 4 1 1 A 24 24 ARG CB C 1787 30.250 29.712 0.538 1
1 258 . 4 1 1 A 24 24 ARG N N 1787 130.523 125.477 5.046 1
1 259 . 4 1 1 A 25 25 ASN H H 1788 7.553 7.747 -0.194 1
1 260 . 4 1 1 A 25 25 ASN HA H 1788 4.799 4.965 -0.166 1
1 265 . 4 1 1 A 25 25 ASN CA C 1788 51.911 52.060 -0.149 1
1 266 . 4 1 1 A 25 25 ASN CB C 1788 39.203 40.439 -1.236 1
1 267 . 4 1 1 A 25 25 ASN N N 1788 119.613 118.391 1.222 1
1 269 . 4 1 1 A 26 26 ALA H H 1789 9.185 9.117 0.068 1
1 270 . 4 1 1 A 26 26 ALA HA H 1789 4.740 4.044 0.696 1
1 274 . 4 1 1 A 26 26 ALA CA C 1789 54.264 54.719 -0.455 1
1 275 . 4 1 1 A 26 26 ALA CB C 1789 18.796 18.471 0.325 1
1 276 . 4 1 1 A 26 26 ALA N N 1789 130.841 128.952 1.889 1
1 277 . 4 1 1 A 27 27 ASN H H 1790 8.520 7.830 0.690 1
1 278 . 4 1 1 A 27 27 ASN HA H 1790 4.761 4.888 -0.127 1
1 283 . 4 1 1 A 27 27 ASN CA C 1790 51.911 53.529 -1.618 1
1 284 . 4 1 1 A 27 27 ASN CB C 1790 38.967 39.109 -0.142 1
1 285 . 4 1 1 A 27 27 ASN N N 1790 113.345 113.737 -0.392 1
1 287 . 4 1 1 A 28 28 CYS H H 1791 7.224 7.183 0.041 1
1 288 . 4 1 1 A 28 28 CYS HA H 1791 4.950 4.314 0.636 1
1 291 . 4 1 1 A 28 28 CYS CA C 1791 61.257 60.280 0.977 1
1 292 . 4 1 1 A 28 28 CYS CB C 1791 30.495 28.985 1.510 1
1 293 . 4 1 1 A 28 28 CYS N N 1791 123.463 120.538 2.925 1
1 294 . 4 1 1 A 29 29 SER H H 1792 8.811 8.833 -0.022 1
1 295 . 4 1 1 A 29 29 SER HA H 1792 4.449 4.461 -0.012 1
1 298 . 4 1 1 A 29 29 SER CA C 1792 57.492 60.211 -2.719 1
1 299 . 4 1 1 A 29 29 SER CB C 1792 63.835 63.542 0.293 1
1 300 . 4 1 1 A 29 29 SER N N 1792 125.781 121.296 4.485 1
1 301 . 4 1 1 A 30 30 LEU H H 1793 7.851 7.306 0.545 1
1 302 . 4 1 1 A 30 30 LEU HA H 1793 4.507 4.481 0.026 1
1 312 . 4 1 1 A 30 30 LEU CA C 1793 53.558 53.032 0.526 1
1 313 . 4 1 1 A 30 30 LEU CB C 1793 42.270 43.541 -1.271 1
1 317 . 4 1 1 A 30 30 LEU N N 1793 125.656 123.205 2.451 1
1 318 . 4 1 1 A 31 31 PRO HA H 1794 4.363 4.280 0.083 1
1 325 . 4 1 1 A 31 31 PRO CA C 1794 64.787 65.131 -0.344 1
1 326 . 4 1 1 A 31 31 PRO CB C 1794 32.708 31.743 0.965 1
1 329 . 4 1 1 A 32 32 SER H H 1795 8.625 8.223 0.402 1
1 330 . 4 1 1 A 32 32 SER HA H 1795 4.309 4.165 0.144 1
1 332 . 4 1 1 A 32 32 SER CA C 1795 60.124 61.590 -1.466 1
1 333 . 4 1 1 A 32 32 SER CB C 1795 62.982 62.614 0.368 1
1 334 . 4 1 1 A 32 32 SER N N 1795 112.707 112.504 0.203 1
1 335 . 4 1 1 A 33 33 CYS H H 1796 6.679 8.090 -1.411 1
1 336 . 4 1 1 A 33 33 CYS HA H 1796 4.108 3.992 0.116 1
1 339 . 4 1 1 A 33 33 CYS CA C 1796 62.669 62.760 -0.091 1
1 340 . 4 1 1 A 33 33 CYS CB C 1796 30.495 26.641 3.854 1
1 341 . 4 1 1 A 33 33 CYS N N 1796 126.200 120.996 5.204 1
1 342 . 4 1 1 A 34 34 GLN H H 1797 7.870 8.104 -0.234 1
1 343 . 4 1 1 A 34 34 GLN HA H 1797 3.867 3.905 -0.038 1
1 350 . 4 1 1 A 34 34 GLN CA C 1797 59.140 59.261 -0.121 1
1 351 . 4 1 1 A 34 34 GLN CB C 1797 31.360 28.190 3.170 1
1 353 . 4 1 1 A 34 34 GLN N N 1797 115.529 119.900 -4.371 1
1 355 . 4 1 1 A 35 35 LYS H H 1798 8.340 8.152 0.188 1
1 356 . 4 1 1 A 35 35 LYS HA H 1798 4.240 4.054 0.186 1
1 365 . 4 1 1 A 35 35 LYS CA C 1798 58.904 59.321 -0.417 1
1 366 . 4 1 1 A 35 35 LYS CB C 1798 32.686 32.258 0.428 1
1 370 . 4 1 1 A 35 35 LYS N N 1798 117.144 119.371 -2.227 1
1 371 . 4 1 1 A 36 36 MET H H 1799 8.163 8.248 -0.085 1
1 372 . 4 1 1 A 36 36 MET HA H 1799 4.369 4.109 0.260 1
1 380 . 4 1 1 A 36 36 MET CA C 1799 56.474 58.499 -2.025 1
1 381 . 4 1 1 A 36 36 MET CB C 1799 31.110 31.980 -0.870 1
1 384 . 4 1 1 A 36 36 MET N N 1799 117.485 119.164 -1.679 1
1 385 . 4 1 1 A 37 37 LYS H H 1800 9.337 8.296 1.041 1
1 386 . 4 1 1 A 37 37 LYS HA H 1800 3.840 3.996 -0.156 1
1 395 . 4 1 1 A 37 37 LYS CA C 1800 61.200 59.902 1.298 1
1 396 . 4 1 1 A 37 37 LYS CB C 1800 32.691 32.353 0.338 1
1 400 . 4 1 1 A 37 37 LYS N N 1800 120.830 119.092 1.738 1
1 401 . 4 1 1 A 38 38 ARG H H 1801 7.399 7.458 -0.059 1
1 402 . 4 1 1 A 38 38 ARG HA H 1801 4.490 4.036 0.454 1
1 409 . 4 1 1 A 38 38 ARG CA C 1801 59.263 59.340 -0.077 1
1 410 . 4 1 1 A 38 38 ARG CB C 1801 31.179 29.883 1.296 1
1 413 . 4 1 1 A 38 38 ARG N N 1801 118.965 119.405 -0.440 1
1 414 . 4 1 1 A 39 39 VAL H H 1802 8.420 7.923 0.497 1
1 415 . 4 1 1 A 39 39 VAL HA H 1802 3.239 3.618 -0.379 1
1 423 . 4 1 1 A 39 39 VAL CA C 1802 67.140 66.292 0.848 1
1 424 . 4 1 1 A 39 39 VAL CB C 1802 31.685 31.634 0.051 1
1 427 . 4 1 1 A 39 39 VAL N N 1802 123.140 119.518 3.622 1
1 428 . 4 1 1 A 40 40 VAL H H 1803 8.195 8.096 0.099 1
1 429 . 4 1 1 A 40 40 VAL HA H 1803 3.403 3.576 -0.173 1
1 437 . 4 1 1 A 40 40 VAL CA C 1803 66.905 66.955 -0.050 1
1 438 . 4 1 1 A 40 40 VAL CB C 1803 31.907 31.428 0.479 1
1 441 . 4 1 1 A 40 40 VAL N N 1803 118.716 120.396 -1.680 1
1 442 . 4 1 1 A 41 41 GLN H H 1804 8.310 8.255 0.055 1
1 443 . 4 1 1 A 41 41 GLN HA H 1804 3.916 4.095 -0.179 1
1 450 . 4 1 1 A 41 41 GLN CA C 1804 58.591 58.684 -0.093 1
1 451 . 4 1 1 A 41 41 GLN CB C 1804 28.561 28.767 -0.206 1
1 453 . 4 1 1 A 41 41 GLN N N 1804 119.193 118.661 0.532 1
1 455 . 4 1 1 A 42 42 HIS H H 1805 8.152 7.990 0.162 1
1 456 . 4 1 1 A 42 42 HIS HA H 1805 4.222 4.336 -0.114 1
1 461 . 4 1 1 A 42 42 HIS CA C 1805 59.139 59.583 -0.444 1
1 462 . 4 1 1 A 42 42 HIS CB C 1805 27.201 30.477 -3.276 1
1 465 . 4 1 1 A 42 42 HIS N N 1805 118.579 121.872 -3.293 1
1 466 . 4 1 1 A 43 43 THR H H 1806 7.997 8.435 -0.438 1
1 467 . 4 1 1 A 43 43 THR HA H 1806 3.888 4.054 -0.166 1
1 473 . 4 1 1 A 43 43 THR CA C 1806 65.728 65.346 0.382 1
1 474 . 4 1 1 A 43 43 THR CB C 1806 69.023 68.933 0.090 1
1 476 . 4 1 1 A 43 43 THR N N 1806 113.599 113.780 -0.181 1
1 477 . 4 1 1 A 44 44 LYS H H 1807 7.381 7.938 -0.557 1
1 478 . 4 1 1 A 44 44 LYS HA H 1807 4.190 4.008 0.182 1
1 487 . 4 1 1 A 44 44 LYS CA C 1807 58.668 59.935 -1.267 1
1 488 . 4 1 1 A 44 44 LYS CB C 1807 32.731 32.488 0.243 1
1 492 . 4 1 1 A 44 44 LYS N N 1807 120.270 120.883 -0.613 1
1 493 . 4 1 1 A 45 45 GLY H H 1808 7.610 7.882 -0.272 1
1 494 . 4 1 1 A 45 45 GLY HA2 H 1808 3.610 4.089 -0.479 1
1 495 . 4 1 1 A 45 45 GLY HA3 H 1808 4.380 4.105 0.275 1
1 496 . 4 1 1 A 45 45 GLY CA C 1808 44.851 45.220 -0.369 1
1 497 . 4 1 1 A 45 45 GLY N N 1808 125.480 105.847 19.633 1
1 498 . 4 1 1 A 46 46 CYS H H 1809 6.898 7.647 -0.749 1
1 499 . 4 1 1 A 46 46 CYS HA H 1809 3.957 4.181 -0.224 1
1 502 . 4 1 1 A 46 46 CYS CA C 1809 60.551 59.649 0.902 1
1 503 . 4 1 1 A 46 46 CYS CB C 1809 30.260 28.692 1.568 1
1 504 . 4 1 1 A 46 46 CYS N N 1809 123.457 120.306 3.151 1
1 505 . 4 1 1 A 47 47 LYS HA H 1810 4.471 4.040 0.431 1
1 514 . 4 1 1 A 47 47 LYS CA C 1810 56.800 58.620 -1.820 1
1 515 . 4 1 1 A 47 47 LYS CB C 1810 33.840 32.575 1.265 1
1 518 . 4 1 1 A 48 48 ARG H H 1811 8.575 7.385 1.190 1
1 519 . 4 1 1 A 48 48 ARG HA H 1811 4.366 4.355 0.011 1
1 526 . 4 1 1 A 48 48 ARG CA C 1811 57.256 57.901 -0.645 1
1 527 . 4 1 1 A 48 48 ARG CB C 1811 32.143 31.638 0.505 1
1 530 . 4 1 1 A 48 48 ARG N N 1811 122.731 119.547 3.184 1
1 531 . 4 1 1 A 49 49 LYS H H 1812 8.663 8.036 0.627 1
1 532 . 4 1 1 A 49 49 LYS HA H 1812 4.521 4.336 0.185 1
1 539 . 4 1 1 A 49 49 LYS CA C 1812 57.256 56.719 0.537 1
1 540 . 4 1 1 A 49 49 LYS CB C 1812 32.378 32.509 -0.131 1
1 543 . 4 1 1 A 49 49 LYS N N 1812 118.409 118.561 -0.152 1
1 544 . 4 1 1 A 50 50 THR HA H 1813 4.710 3.914 0.796 1
1 549 . 4 1 1 A 50 50 THR CA C 1813 63.846 65.872 -2.026 1
1 550 . 4 1 1 A 50 50 THR CB C 1813 68.317 68.354 -0.037 1
1 552 . 4 1 1 A 51 51 ASN HA H 1814 4.676 4.348 0.328 1
1 557 . 4 1 1 A 51 51 ASN CA C 1814 82.908 56.353 26.555 1
1 558 . 4 1 1 A 51 51 ASN CB C 1814 38.732 38.824 -0.092 1
1 560 . 4 1 1 A 52 52 GLY H H 1815 7.879 7.686 0.193 1
1 561 . 4 1 1 A 52 52 GLY HA2 H 1815 4.300 3.986 0.314 1
1 562 . 4 1 1 A 52 52 GLY HA3 H 1815 3.831 3.990 -0.159 1
1 563 . 4 1 1 A 52 52 GLY CA C 1815 45.557 45.278 0.279 1
1 564 . 4 1 1 A 52 52 GLY N N 1815 129.890 105.471 24.419 1
1 565 . 4 1 1 A 53 53 GLY H H 1816 7.765 7.815 -0.050 1
1 566 . 4 1 1 A 53 53 GLY HA2 H 1816 3.885 3.980 -0.095 1
1 567 . 4 1 1 A 53 53 GLY HA3 H 1816 3.985 3.982 0.003 1
1 568 . 4 1 1 A 53 53 GLY CA C 1816 45.792 45.553 0.239 1
1 569 . 4 1 1 A 53 53 GLY N N 1816 128.949 107.491 21.458 1
1 570 . 4 1 1 A 54 54 CYS H H 1817 8.800 8.144 0.656 1
1 571 . 4 1 1 A 54 54 CYS HA H 1817 4.821 4.600 0.221 1
1 574 . 4 1 1 A 54 54 CYS CA C 1817 55.138 57.426 -2.288 1
1 575 . 4 1 1 A 54 54 CYS CB C 1817 30.966 29.046 1.920 1
1 576 . 4 1 1 A 54 54 CYS N N 1817 122.429 119.381 3.048 1
1 577 . 4 1 1 A 55 55 PRO HA H 1818 4.330 4.304 0.026 1
1 584 . 4 1 1 A 55 55 PRO CA C 1818 64.787 65.493 -0.706 1
1 585 . 4 1 1 A 55 55 PRO CB C 1818 32.613 31.849 0.764 1
1 588 . 4 1 1 A 56 56 VAL H H 1819 7.750 7.452 0.298 1
1 589 . 4 1 1 A 56 56 VAL HA H 1819 3.884 3.523 0.361 1
1 597 . 4 1 1 A 56 56 VAL CA C 1819 65.728 66.219 -0.491 1
1 598 . 4 1 1 A 56 56 VAL CB C 1819 32.849 31.212 1.637 1
1 601 . 4 1 1 A 56 56 VAL N N 1819 121.605 115.302 6.303 1
1 602 . 4 1 1 A 57 57 CYS H H 1820 8.884 8.093 0.791 1
1 603 . 4 1 1 A 57 57 CYS HA H 1820 4.106 3.906 0.200 1
1 606 . 4 1 1 A 57 57 CYS CA C 1820 65.728 63.877 1.851 1
1 607 . 4 1 1 A 57 57 CYS CB C 1820 30.250 27.046 3.204 1
1 608 . 4 1 1 A 57 57 CYS N N 1820 124.260 117.532 6.728 1
1 609 . 4 1 1 A 58 58 LYS H H 1821 8.133 7.881 0.252 1
1 610 . 4 1 1 A 58 58 LYS HA H 1821 3.942 3.833 0.109 1
1 619 . 4 1 1 A 58 58 LYS CA C 1821 59.610 59.695 -0.085 1
1 620 . 4 1 1 A 58 58 LYS CB C 1821 32.849 32.370 0.479 1
1 624 . 4 1 1 A 58 58 LYS N N 1821 117.129 121.004 -3.875 1
1 625 . 4 1 1 A 59 59 GLN H H 1822 7.318 8.169 -0.851 1
1 626 . 4 1 1 A 59 59 GLN HA H 1822 4.357 3.914 0.443 1
1 632 . 4 1 1 A 59 59 GLN N N 1822 117.943 118.347 -0.404 1
1 633 . 4 1 1 A 60 60 LEU H H 1823 8.667 7.716 0.951 1
1 634 . 4 1 1 A 60 60 LEU HA H 1823 4.950 4.034 0.916 1
1 647 . 4 1 1 A 60 60 LEU N N 1823 120.670 121.498 -0.828 1
1 648 . 4 1 1 A 61 61 ILE H H 1824 8.780 8.164 0.616 1
1 649 . 4 1 1 A 61 61 ILE HA H 1824 3.614 3.579 0.035 1
1 659 . 4 1 1 A 61 61 ILE CA C 1824 64.787 65.245 -0.458 1
1 660 . 4 1 1 A 61 61 ILE CB C 1824 37.320 37.006 0.314 1
1 664 . 4 1 1 A 61 61 ILE N N 1824 119.837 119.718 0.119 1
1 665 . 4 1 1 A 62 62 ALA H H 1825 7.675 8.356 -0.681 1
1 666 . 4 1 1 A 62 62 ALA HA H 1825 4.112 4.027 0.085 1
1 670 . 4 1 1 A 62 62 ALA CA C 1825 55.374 55.205 0.169 1
1 671 . 4 1 1 A 62 62 ALA CB C 1825 18.560 18.099 0.461 1
1 672 . 4 1 1 A 62 62 ALA N N 1825 122.779 122.910 -0.131 1
1 673 . 4 1 1 A 63 63 LEU H H 1826 7.983 7.819 0.164 1
1 674 . 4 1 1 A 63 63 LEU HA H 1826 4.114 4.067 0.047 1
1 684 . 4 1 1 A 63 63 LEU CA C 1826 58.334 58.013 0.321 1
1 685 . 4 1 1 A 63 63 LEU CB C 1826 42.821 41.236 1.585 1
1 689 . 4 1 1 A 63 63 LEU N N 1826 118.291 118.179 0.112 1
1 690 . 4 1 1 A 64 64 CYS H H 1827 8.663 7.875 0.788 1
1 691 . 4 1 1 A 64 64 CYS HA H 1827 4.350 4.211 0.139 1
1 694 . 4 1 1 A 64 64 CYS CA C 1827 64.800 62.713 2.087 1
1 695 . 4 1 1 A 64 64 CYS CB C 1827 26.495 25.698 0.797 1
1 696 . 4 1 1 A 64 64 CYS N N 1827 118.409 117.720 0.689 1
1 697 . 4 1 1 A 65 65 CYS H H 1828 8.672 8.513 0.159 1
1 698 . 4 1 1 A 65 65 CYS HA H 1828 4.152 4.107 0.045 1
1 701 . 4 1 1 A 65 65 CYS CA C 1828 63.547 63.732 -0.185 1
1 702 . 4 1 1 A 65 65 CYS CB C 1828 26.495 27.189 -0.694 1
1 703 . 4 1 1 A 65 65 CYS N N 1828 118.996 119.414 -0.418 1
1 704 . 4 1 1 A 66 66 TYR H H 1829 7.837 8.331 -0.494 1
1 705 . 4 1 1 A 66 66 TYR HA H 1829 4.199 4.231 -0.032 1
1 712 . 4 1 1 A 66 66 TYR CA C 1829 61.220 61.828 -0.608 1
1 713 . 4 1 1 A 66 66 TYR CB C 1829 38.261 38.454 -0.193 1
1 716 . 4 1 1 A 66 66 TYR N N 1829 120.650 122.637 -1.987 1
1 717 . 4 1 1 A 67 67 HIS H H 1830 8.323 8.485 -0.162 1
1 718 . 4 1 1 A 67 67 HIS HA H 1830 4.341 4.356 -0.015 1
1 723 . 4 1 1 A 67 67 HIS CA C 1830 58.668 60.401 -1.733 1
1 724 . 4 1 1 A 67 67 HIS CB C 1830 27.907 30.011 -2.104 1
1 727 . 4 1 1 A 67 67 HIS N N 1830 117.149 119.728 -2.579 1
1 728 . 4 1 1 A 68 68 ALA H H 1831 8.693 8.532 0.161 1
1 729 . 4 1 1 A 68 68 ALA HA H 1831 4.250 4.028 0.222 1
1 733 . 4 1 1 A 68 68 ALA CA C 1831 55.205 55.419 -0.214 1
1 734 . 4 1 1 A 68 68 ALA CB C 1831 20.695 18.472 2.223 1
1 735 . 4 1 1 A 68 68 ALA N N 1831 121.519 120.924 0.595 1
1 736 . 4 1 1 A 69 69 LYS H H 1832 7.126 8.061 -0.935 1
1 737 . 4 1 1 A 69 69 LYS HA H 1832 3.737 4.027 -0.290 1
1 746 . 4 1 1 A 69 69 LYS CA C 1832 57.962 59.370 -1.408 1
1 747 . 4 1 1 A 69 69 LYS CB C 1832 32.613 31.607 1.006 1
1 751 . 4 1 1 A 69 69 LYS N N 1832 114.376 119.244 -4.868 1
1 752 . 4 1 1 A 70 70 HIS H H 1833 6.884 7.365 -0.481 1
1 753 . 4 1 1 A 70 70 HIS HA H 1833 4.711 4.432 0.279 1
1 758 . 4 1 1 A 70 70 HIS CA C 1833 54.970 57.559 -2.589 1
1 759 . 4 1 1 A 70 70 HIS CB C 1833 31.201 30.576 0.625 1
1 762 . 4 1 1 A 70 70 HIS N N 1833 113.369 114.329 -0.960 1
1 763 . 4 1 1 A 71 71 CYS H H 1834 6.969 7.432 -0.463 1
1 764 . 4 1 1 A 71 71 CYS HA H 1834 4.210 4.259 -0.049 1
1 767 . 4 1 1 A 71 71 CYS CA C 1834 60.800 59.430 1.370 1
1 768 . 4 1 1 A 71 71 CYS CB C 1834 30.250 28.607 1.643 1
1 769 . 4 1 1 A 71 71 CYS N N 1834 123.813 118.585 5.228 1
1 770 . 4 1 1 A 72 72 GLN H H 1835 9.101 8.542 0.559 1
1 771 . 4 1 1 A 72 72 GLN HA H 1835 4.646 4.719 -0.073 1
1 778 . 4 1 1 A 72 72 GLN CA C 1835 54.735 55.409 -0.674 1
1 779 . 4 1 1 A 72 72 GLN CB C 1835 29.319 30.659 -1.340 1
1 781 . 4 1 1 A 72 72 GLN N N 1835 128.430 122.246 6.184 1
1 783 . 4 1 1 A 73 73 GLU H H 1836 8.331 7.308 1.023 1
1 784 . 4 1 1 A 73 73 GLU HA H 1836 4.365 4.349 0.016 1
1 788 . 4 1 1 A 73 73 GLU CA C 1836 55.374 56.159 -0.785 1
1 789 . 4 1 1 A 73 73 GLU CB C 1836 30.731 30.476 0.255 1
1 791 . 4 1 1 A 73 73 GLU N N 1836 123.251 121.629 1.622 1
1 792 . 4 1 1 A 74 74 ASN HA H 1837 4.512 4.519 -0.007 1
1 797 . 4 1 1 A 74 74 ASN CA C 1837 54.970 54.795 0.175 1
1 798 . 4 1 1 A 74 74 ASN CB C 1837 38.732 37.701 1.031 1
1 800 . 4 1 1 A 75 75 LYS H H 1838 8.779 7.908 0.871 1
1 801 . 4 1 1 A 75 75 LYS HA H 1838 4.424 4.616 -0.192 1
1 810 . 4 1 1 A 75 75 LYS CA C 1838 54.735 55.117 -0.382 1
1 811 . 4 1 1 A 75 75 LYS CB C 1838 30.966 33.237 -2.271 1
1 815 . 4 1 1 A 75 75 LYS N N 1838 121.350 116.920 4.430 1
1 816 . 4 1 1 A 76 76 CYS H H 1839 7.590 7.036 0.554 1
1 817 . 4 1 1 A 76 76 CYS HA H 1839 4.361 4.370 -0.009 1
1 820 . 4 1 1 A 76 76 CYS CA C 1839 57.256 57.576 -0.320 1
1 821 . 4 1 1 A 76 76 CYS CB C 1839 30.731 28.204 2.527 1
1 822 . 4 1 1 A 76 76 CYS N N 1839 124.209 121.622 2.587 1
1 823 . 4 1 1 A 77 77 PRO HA H 1840 4.651 4.398 0.253 1
1 830 . 4 1 1 A 77 77 PRO CA C 1840 62.669 64.316 -1.647 1
1 831 . 4 1 1 A 77 77 PRO CB C 1840 32.849 31.924 0.925 1
1 834 . 4 1 1 A 78 78 VAL H H 1841 8.962 7.722 1.240 1
1 835 . 4 1 1 A 78 78 VAL HA H 1841 4.199 4.177 0.022 1
1 843 . 4 1 1 A 78 78 VAL CA C 1841 61.257 60.949 0.308 1
1 844 . 4 1 1 A 78 78 VAL CB C 1841 31.672 32.073 -0.401 1
1 847 . 4 1 1 A 78 78 VAL N N 1841 128.606 119.584 9.022 1
1 848 . 4 1 1 A 79 79 PRO HA H 1842 3.936 4.245 -0.309 1
1 855 . 4 1 1 A 79 79 PRO CA C 1842 63.846 65.532 -1.686 1
1 856 . 4 1 1 A 79 79 PRO CB C 1842 30.731 31.387 -0.656 1
1 859 . 4 1 1 A 80 80 PHE HA H 1843 4.255 4.227 0.028 1
1 866 . 4 1 1 A 80 80 PHE CA C 1843 59.374 60.432 -1.058 1
1 867 . 4 1 1 A 80 80 PHE CB C 1843 37.791 38.188 -0.397 1
1 870 . 4 1 1 A 81 81 CYS H H 1844 7.660 8.336 -0.676 1
1 871 . 4 1 1 A 81 81 CYS HA H 1844 3.997 4.205 -0.208 1
1 874 . 4 1 1 A 81 81 CYS CA C 1844 64.552 62.661 1.891 1
1 875 . 4 1 1 A 81 81 CYS CB C 1844 30.495 27.252 3.243 1
1 876 . 4 1 1 A 81 81 CYS N N 1844 124.104 118.493 5.611 1
1 877 . 4 1 1 A 82 82 LEU H H 1845 8.170 8.292 -0.122 1
1 878 . 4 1 1 A 82 82 LEU HA H 1845 3.988 3.970 0.018 1
1 888 . 4 1 1 A 82 82 LEU CA C 1845 57.962 58.084 -0.122 1
1 889 . 4 1 1 A 82 82 LEU CB C 1845 41.321 41.388 -0.067 1
1 893 . 4 1 1 A 82 82 LEU N N 1845 115.950 120.901 -4.951 1
1 894 . 4 1 1 A 83 83 ASN H H 1846 7.826 8.348 -0.522 1
1 895 . 4 1 1 A 83 83 ASN HA H 1846 4.447 4.457 -0.010 1
1 900 . 4 1 1 A 83 83 ASN CA C 1846 56.800 56.939 -0.139 1
1 901 . 4 1 1 A 83 83 ASN CB C 1846 38.967 39.073 -0.106 1
1 902 . 4 1 1 A 83 83 ASN N N 1846 116.117 118.281 -2.164 1
1 904 . 4 1 1 A 84 84 ILE H H 1847 8.607 8.237 0.370 1
1 905 . 4 1 1 A 84 84 ILE HA H 1847 3.718 3.602 0.116 1
1 915 . 4 1 1 A 84 84 ILE CA C 1847 64.787 65.422 -0.635 1
1 916 . 4 1 1 A 84 84 ILE CB C 1847 38.497 37.835 0.662 1
1 920 . 4 1 1 A 84 84 ILE N N 1847 121.553 119.507 2.046 1
1 921 . 4 1 1 A 85 85 LYS H H 1848 8.855 8.150 0.705 1
1 922 . 4 1 1 A 85 85 LYS HA H 1848 3.859 3.932 -0.073 1
1 931 . 4 1 1 A 85 85 LYS CA C 1848 60.551 59.339 1.212 1
1 932 . 4 1 1 A 85 85 LYS CB C 1848 32.613 32.404 0.209 1
1 936 . 4 1 1 A 85 85 LYS N N 1848 119.992 119.009 0.983 1
1 937 . 4 1 1 A 86 86 HIS H H 1849 8.100 8.032 0.068 1
1 938 . 4 1 1 A 86 86 HIS HA H 1849 4.411 4.281 0.130 1
1 943 . 4 1 1 A 86 86 HIS CA C 1849 58.433 60.132 -1.699 1
1 944 . 4 1 1 A 86 86 HIS CB C 1849 30.495 29.802 0.693 1
1 947 . 4 1 1 A 86 86 HIS N N 1849 117.237 119.770 -2.533 1
1 948 . 4 1 1 A 87 87 LYS H H 1850 7.685 8.298 -0.613 1
1 949 . 4 1 1 A 87 87 LYS HA H 1850 4.128 3.839 0.289 1
1 958 . 4 1 1 A 87 87 LYS CA C 1850 57.727 59.340 -1.613 1
1 959 . 4 1 1 A 87 87 LYS CB C 1850 32.378 32.649 -0.271 1
1 963 . 4 1 1 A 87 87 LYS N N 1850 119.118 117.217 1.901 1
1 964 . 4 1 1 A 88 88 LEU H H 1851 8.230 8.563 -0.333 1
1 965 . 4 1 1 A 88 88 LEU HA H 1851 4.174 3.931 0.243 1
1 975 . 4 1 1 A 88 88 LEU CA C 1851 56.800 57.978 -1.178 1
1 976 . 4 1 1 A 88 88 LEU CB C 1851 42.262 41.491 0.771 1
1 980 . 4 1 1 A 88 88 LEU N N 1851 119.305 119.888 -0.583 1
1 981 . 4 1 1 A 89 89 ARG H H 1852 7.765 8.269 -0.504 1
1 982 . 4 1 1 A 89 89 ARG HA H 1852 4.245 3.961 0.284 1
1 989 . 4 1 1 A 89 89 ARG CA C 1852 56.550 59.164 -2.614 1
1 990 . 4 1 1 A 89 89 ARG CB C 1852 30.260 29.638 0.622 1
1 993 . 4 1 1 A 89 89 ARG N N 1852 118.302 119.558 -1.256 1
1 994 . 4 1 1 A 90 90 GLN H H 1853 7.851 7.986 -0.135 1
1 995 . 4 1 1 A 90 90 GLN HA H 1853 4.262 3.969 0.293 1
1 1002 . 4 1 1 A 90 90 GLN CA C 1853 55.609 58.200 -2.591 1
1 1003 . 4 1 1 A 90 90 GLN CB C 1853 29.554 28.558 0.996 1
1 1005 . 4 1 1 A 90 90 GLN N N 1853 119.450 118.970 0.480 1
1 1007 . 4 1 1 A 91 91 GLN H H 1854 8.710 7.663 1.047 1
1 1008 . 4 1 1 A 91 91 GLN HA H 1854 4.317 4.103 0.214 1
1 1015 . 4 1 1 A 91 91 GLN CA C 1854 55.609 58.344 -2.735 1
1 1016 . 4 1 1 A 91 91 GLN CB C 1854 29.554 28.302 1.252 1
1 1018 . 4 1 1 A 91 91 GLN N N 1854 120.675 118.288 2.387 1
1 1038 . 4 2 2 B 2 2 HIS HA H 51 4.636 4.808 -0.172 1
1 1043 . 4 2 2 B 2 2 HIS CA C 51 55.844 55.927 -0.083 1
1 1044 . 4 2 2 B 2 2 HIS CB C 51 30.495 32.545 -2.050 1
1 1047 . 4 2 2 B 3 3 MET H H 52 8.230 8.132 0.098 1
1 1048 . 4 2 2 B 3 3 MET HA H 52 4.430 4.103 0.327 1
1 1053 . 4 2 2 B 3 3 MET CA C 52 54.903 56.474 -1.571 1
1 1054 . 4 2 2 B 3 3 MET CB C 52 33.840 32.026 1.814 1
1 1056 . 4 2 2 B 3 3 MET N N 52 121.881 121.301 0.580 1
1 1057 . 4 2 2 B 4 4 ALA H H 53 8.269 6.765 1.504 1
1 1058 . 4 2 2 B 4 4 ALA HA H 53 4.586 4.762 -0.176 1
1 1062 . 4 2 2 B 4 4 ALA CA C 53 51.255 49.958 1.297 1
1 1063 . 4 2 2 B 4 4 ALA CB C 53 18.796 22.145 -3.349 1
1 1064 . 4 2 2 B 4 4 ALA N N 53 126.758 120.047 6.711 1
1 1065 . 4 2 2 B 5 5 PRO HA H 54 4.705 4.714 -0.009 1
1 1072 . 4 2 2 B 5 5 PRO CA C 54 61.257 63.404 -2.147 1
1 1073 . 4 2 2 B 5 5 PRO CB C 54 30.966 32.367 -1.401 1
1 1076 . 4 2 2 B 6 6 GLU H H 55 8.468 7.833 0.635 1
1 1077 . 4 2 2 B 6 6 GLU HA H 55 4.150 4.905 -0.755 1
1 1082 . 4 2 2 B 6 6 GLU CA C 55 56.550 55.244 1.306 1
1 1083 . 4 2 2 B 6 6 GLU CB C 55 30.495 33.041 -2.546 1
1 1085 . 4 2 2 B 6 6 GLU N N 55 121.693 113.600 8.093 1
1 1086 . 4 2 2 B 7 7 ASP H H 56 8.574 8.675 -0.101 1
1 1087 . 4 2 2 B 7 7 ASP HA H 56 5.200 5.024 0.176 1
1 1090 . 4 2 2 B 7 7 ASP CA C 56 51.255 50.653 0.602 1
1 1091 . 4 2 2 B 7 7 ASP CB C 56 42.262 44.202 -1.940 1
1 1092 . 4 2 2 B 7 7 ASP N N 56 120.873 119.575 1.298 1
1 1093 . 4 2 2 B 8 8 PRO HA H 57 4.465 4.336 0.129 1
1 1100 . 4 2 2 B 8 8 PRO CA C 57 63.610 64.513 -0.903 1
1 1101 . 4 2 2 B 8 8 PRO CB C 57 32.378 31.957 0.421 1
1 1104 . 4 2 2 B 9 9 ASN H H 58 8.301 8.488 -0.187 1
1 1105 . 4 2 2 B 9 9 ASN HA H 58 4.809 4.466 0.343 1
1 1110 . 4 2 2 B 9 9 ASN CA C 58 53.558 55.100 -1.542 1
1 1111 . 4 2 2 B 9 9 ASN CB C 58 38.497 37.874 0.623 1
1 1112 . 4 2 2 B 9 9 ASN N N 58 117.190 115.532 1.658 1
1 1114 . 4 2 2 B 10 10 GLU H H 59 7.366 8.158 -0.792 1
1 1115 . 4 2 2 B 10 10 GLU HA H 59 3.641 4.024 -0.383 1
1 1120 . 4 2 2 B 10 10 GLU CA C 59 60.800 58.886 1.914 1
1 1121 . 4 2 2 B 10 10 GLU CB C 59 29.554 28.729 0.825 1
1 1123 . 4 2 2 B 10 10 GLU N N 59 122.354 118.415 3.939 1
1 1124 . 4 2 2 B 11 11 GLU H H 60 8.618 8.382 0.236 1
1 1125 . 4 2 2 B 11 11 GLU HA H 60 3.933 4.008 -0.075 1
1 1130 . 4 2 2 B 11 11 GLU CA C 60 59.139 59.436 -0.297 1
1 1131 . 4 2 2 B 11 11 GLU CB C 60 29.830 29.339 0.491 1
1 1133 . 4 2 2 B 11 11 GLU N N 60 120.391 120.309 0.082 1
1 1134 . 4 2 2 B 12 12 ALA H H 61 8.280 7.589 0.691 1
1 1135 . 4 2 2 B 12 12 ALA HA H 61 4.180 4.011 0.169 1
1 1139 . 4 2 2 B 12 12 ALA CA C 61 55.205 55.004 0.201 1
1 1140 . 4 2 2 B 12 12 ALA CB C 61 20.695 18.251 2.444 1
1 1141 . 4 2 2 B 12 12 ALA N N 61 122.378 121.757 0.621 1
1 1142 . 4 2 2 B 13 13 VAL H H 62 7.773 7.823 -0.050 1
1 1143 . 4 2 2 B 13 13 VAL HA H 62 3.974 3.133 0.841 1
1 1151 . 4 2 2 B 13 13 VAL CA C 62 66.199 66.627 -0.428 1
1 1152 . 4 2 2 B 13 13 VAL CB C 62 31.907 31.233 0.674 1
1 1155 . 4 2 2 B 13 13 VAL N N 62 116.653 118.419 -1.766 1
1 1156 . 4 2 2 B 14 14 SER H H 63 8.288 8.372 -0.084 1
1 1157 . 4 2 2 B 14 14 SER HA H 63 4.620 3.909 0.711 1
1 1160 . 4 2 2 B 14 14 SER CA C 63 60.786 61.584 -0.798 1
1 1161 . 4 2 2 B 14 14 SER CB C 63 62.434 62.901 -0.467 1
1 1162 . 4 2 2 B 14 14 SER N N 63 115.328 115.613 -0.285 1
1 1163 . 4 2 2 B 15 15 GLN H H 64 7.775 8.410 -0.635 1
1 1164 . 4 2 2 B 15 15 GLN HA H 64 4.190 4.108 0.082 1
1 1171 . 4 2 2 B 15 15 GLN CA C 64 57.492 58.376 -0.884 1
1 1172 . 4 2 2 B 15 15 GLN CB C 64 28.613 27.195 1.418 1
1 1174 . 4 2 2 B 15 15 GLN N N 64 119.350 118.181 1.169 1
1 1176 . 4 2 2 B 16 16 ILE H H 65 7.217 7.377 -0.160 1
1 1177 . 4 2 2 B 16 16 ILE HA H 65 3.788 3.943 -0.155 1
1 1186 . 4 2 2 B 16 16 ILE CA C 65 61.492 63.351 -1.859 1
1 1187 . 4 2 2 B 16 16 ILE CB C 65 37.320 38.891 -1.571 1
1 1191 . 4 2 2 B 16 16 ILE N N 65 117.427 119.252 -1.825 1
1 1192 . 4 2 2 B 17 17 PHE H H 66 8.370 7.755 0.615 1
1 1193 . 4 2 2 B 17 17 PHE HA H 66 4.407 4.942 -0.535 1
1 1200 . 4 2 2 B 17 17 PHE CA C 66 55.374 54.769 0.605 1
1 1201 . 4 2 2 B 17 17 PHE CB C 66 42.270 39.683 2.587 1
1 1205 . 4 2 2 B 17 17 PHE N N 66 117.389 115.536 1.853 1
1 1206 . 4 2 2 B 18 18 PRO HA H 67 4.784 4.784 0.000 1
1 1213 . 4 2 2 B 18 18 PRO CA C 67 62.669 62.368 0.301 1
1 1214 . 4 2 2 B 18 18 PRO CB C 67 32.378 33.127 -0.749 1
1 1217 . 4 2 2 B 19 19 ASP H H 68 9.127 9.110 0.017 1
1 1218 . 4 2 2 B 19 19 ASP HA H 68 4.261 4.467 -0.206 1
1 1221 . 4 2 2 B 19 19 ASP CA C 68 57.927 56.931 0.996 1
1 1222 . 4 2 2 B 19 19 ASP CB C 68 40.451 40.408 0.043 1
1 1223 . 4 2 2 B 19 19 ASP N N 68 123.618 123.199 0.419 1
1 1224 . 4 2 2 B 20 20 SER H H 69 8.624 8.083 0.541 1
1 1225 . 4 2 2 B 20 20 SER HA H 69 4.816 4.380 0.436 1
1 1226 . 4 2 2 B 20 20 SER N N 69 112.914 113.134 -0.220 1
1 1227 . 4 2 2 B 21 21 VAL H H 70 7.380 7.734 -0.354 1
1 1228 . 4 2 2 B 21 21 VAL HA H 70 3.958 4.639 -0.681 1
1 1236 . 4 2 2 B 21 21 VAL CA C 70 64.316 58.903 5.413 1
1 1237 . 4 2 2 B 21 21 VAL CB C 70 32.378 35.725 -3.347 1
1 1240 . 4 2 2 B 21 21 VAL N N 70 123.280 115.669 7.611 1
1 1241 . 4 2 2 B 22 22 MET H H 71 7.638 8.646 -1.008 1
1 1242 . 4 2 2 B 22 22 MET HA H 71 4.266 4.531 -0.265 1
1 1248 . 4 2 2 B 22 22 MET CA C 71 55.844 53.959 1.885 1
1 1249 . 4 2 2 B 22 22 MET CB C 71 31.907 31.081 0.826 1
1 1251 . 4 2 2 B 22 22 MET N N 71 117.825 123.320 -5.495 1
1 1252 . 4 2 2 B 23 23 LEU H H 72 8.102 7.829 0.273 1
1 1253 . 4 2 2 B 23 23 LEU HA H 72 4.132 4.060 0.072 1
1 1263 . 4 2 2 B 23 23 LEU CA C 72 56.786 58.087 -1.301 1
1 1264 . 4 2 2 B 23 23 LEU CB C 72 42.270 41.755 0.515 1
1 1268 . 4 2 2 B 23 23 LEU N N 72 119.633 126.607 -6.974 1
1 1269 . 4 2 2 B 24 24 ALA H H 73 7.464 8.359 -0.895 1
1 1270 . 4 2 2 B 24 24 ALA HA H 73 4.197 4.209 -0.012 1
1 1274 . 4 2 2 B 24 24 ALA CA C 73 84.840 54.653 30.187 1
1 1275 . 4 2 2 B 24 24 ALA CB C 73 19.266 18.537 0.729 1
1 1276 . 4 2 2 B 24 24 ALA N N 73 120.682 120.980 -0.298 1
1 1277 . 4 2 2 B 25 25 VAL H H 74 7.668 7.886 -0.218 1
1 1278 . 4 2 2 B 25 25 VAL HA H 74 4.258 3.848 0.410 1
1 1286 . 4 2 2 B 25 25 VAL CA C 74 62.434 64.271 -1.837 1
1 1287 . 4 2 2 B 25 25 VAL CB C 74 31.672 31.631 0.041 1
1 1290 . 4 2 2 B 25 25 VAL N N 74 112.530 116.930 -4.400 1
1 1291 . 4 2 2 B 26 26 GLN H H 75 7.806 8.080 -0.274 1
1 1292 . 4 2 2 B 26 26 GLN HA H 75 4.308 4.544 -0.236 1
1 1299 . 4 2 2 B 26 26 GLN CA C 75 56.786 55.368 1.418 1
1 1300 . 4 2 2 B 26 26 GLN CB C 75 29.554 30.337 -0.783 1
1 1302 . 4 2 2 B 26 26 GLN N N 75 121.794 115.848 5.946 1
1 1304 . 4 2 2 B 27 27 GLU H H 76 8.340 7.389 0.951 1
1 1305 . 4 2 2 B 27 27 GLU HA H 76 4.349 4.957 -0.608 1
1 1310 . 4 2 2 B 27 27 GLU CA C 76 56.315 54.610 1.705 1
1 1311 . 4 2 2 B 27 27 GLU CB C 76 30.495 33.273 -2.778 1
1 1313 . 4 2 2 B 27 27 GLU N N 76 120.410 121.005 -0.595 1
1 1314 . 4 2 2 B 28 28 GLY H H 77 8.295 8.960 -0.665 1
1 1315 . 4 2 2 B 28 28 GLY HA2 H 77 3.938 4.217 -0.279 1
1 1316 . 4 2 2 B 28 28 GLY HA3 H 77 4.190 4.223 -0.033 1
1 1317 . 4 2 2 B 28 28 GLY CA C 77 45.792 44.271 1.521 1
1 1318 . 4 2 2 B 28 28 GLY N N 77 109.255 112.608 -3.353 1
1 1319 . 4 2 2 B 29 29 ILE H H 78 7.889 8.999 -1.110 1
1 1320 . 4 2 2 B 29 29 ILE HA H 78 4.166 4.846 -0.680 1
1 1330 . 4 2 2 B 29 29 ILE CA C 78 60.786 59.433 1.353 1
1 1331 . 4 2 2 B 29 29 ILE CB C 78 39.203 41.133 -1.930 1
1 1335 . 4 2 2 B 29 29 ILE N N 78 119.126 121.166 -2.040 1
1 1336 . 4 2 2 B 30 30 ASP H H 79 8.442 9.191 -0.749 1
1 1337 . 4 2 2 B 30 30 ASP HA H 79 4.577 4.539 0.038 1
1 1340 . 4 2 2 B 30 30 ASP CA C 79 55.255 56.108 -0.853 1
1 1341 . 4 2 2 B 30 30 ASP CB C 79 41.850 40.498 1.352 1
1 1342 . 4 2 2 B 30 30 ASP N N 79 123.665 124.998 -1.333 1
1 1343 . 4 2 2 B 31 31 LEU H H 80 8.141 7.876 0.265 1
1 1344 . 4 2 2 B 31 31 LEU HA H 80 4.292 4.205 0.087 1
1 1354 . 4 2 2 B 31 31 LEU CA C 80 55.205 57.337 -2.132 1
1 1355 . 4 2 2 B 31 31 LEU CB C 80 42.262 41.858 0.404 1
1 1359 . 4 2 2 B 31 31 LEU N N 80 122.359 121.597 0.762 1
1 1360 . 4 2 2 B 32 32 LEU H H 81 8.840 7.777 1.063 1
1 1361 . 4 2 2 B 32 32 LEU HA H 81 4.256 4.019 0.237 1
1 1371 . 4 2 2 B 32 32 LEU CA C 81 54.903 58.041 -3.138 1
1 1372 . 4 2 2 B 32 32 LEU CB C 81 42.497 41.761 0.736 1
1 1376 . 4 2 2 B 32 32 LEU N N 81 120.762 118.609 2.153 1
1 1377 . 4 2 2 B 33 33 THR H H 82 7.728 7.287 0.441 1
1 1378 . 4 2 2 B 33 33 THR HA H 82 4.226 4.252 -0.026 1
1 1383 . 4 2 2 B 33 33 THR CA C 82 61.220 63.309 -2.089 1
1 1384 . 4 2 2 B 33 33 THR CB C 82 69.494 68.753 0.741 1
1 1386 . 4 2 2 B 33 33 THR N N 82 113.606 112.411 1.195 1
1 1387 . 4 2 2 B 34 34 PHE H H 83 8.181 7.679 0.502 1
1 1388 . 4 2 2 B 34 34 PHE HA H 83 4.825 4.914 -0.089 1
1 1395 . 4 2 2 B 34 34 PHE CA C 83 55.138 55.732 -0.594 1
1 1396 . 4 2 2 B 34 34 PHE CB C 83 39.203 40.590 -1.387 1
1 1399 . 4 2 2 B 34 34 PHE N N 83 123.600 120.240 3.360 1
1 1400 . 4 2 2 B 35 35 PRO HA H 84 4.765 4.679 0.086 1
1 1407 . 4 2 2 B 35 35 PRO CA C 84 62.900 62.458 0.442 1
1 1408 . 4 2 2 B 35 35 PRO CB C 84 32.538 31.792 0.746 1
1 1411 . 4 2 2 B 36 36 PRO HA H 85 4.422 4.696 -0.274 1
1 1418 . 4 2 2 B 36 36 PRO CA C 85 62.434 62.392 0.042 1
1 1419 . 4 2 2 B 36 36 PRO CB C 85 32.143 32.912 -0.769 1
1 1422 . 4 2 2 B 37 37 ALA H H 86 8.370 8.293 0.077 1
1 1423 . 4 2 2 B 37 37 ALA HA H 86 4.429 4.790 -0.361 1
1 1427 . 4 2 2 B 37 37 ALA CA C 86 50.263 49.740 0.523 1
1 1428 . 4 2 2 B 37 37 ALA CB C 86 19.972 22.399 -2.427 1
1 1429 . 4 2 2 B 37 37 ALA N N 86 125.277 121.811 3.466 1
1 1430 . 4 2 2 B 38 38 PRO HA H 87 4.388 4.491 -0.103 1
1 1437 . 4 2 2 B 38 38 PRO CA C 87 63.140 63.826 -0.686 1
1 1438 . 4 2 2 B 38 38 PRO CB C 87 32.143 32.005 0.138 1
1 1441 . 4 2 2 B 39 39 GLY H H 88 8.503 8.404 0.099 1
1 1442 . 4 2 2 B 39 39 GLY HA2 H 88 3.895 3.927 -0.032 1
1 1443 . 4 2 2 B 39 39 GLY HA3 H 88 3.981 3.928 0.053 1
1 1444 . 4 2 2 B 39 39 GLY CA C 88 74.671 46.555 28.116 1
1 1445 . 4 2 2 B 39 39 GLY N N 88 109.831 107.218 2.613 1
1 1446 . 4 2 2 B 40 40 SER H H 89 8.800 7.936 0.864 1
1 1447 . 4 2 2 B 40 40 SER HA H 89 4.748 4.511 0.237 1
1 1450 . 4 2 2 B 40 40 SER CA C 89 56.800 57.301 -0.501 1
1 1451 . 4 2 2 B 40 40 SER CB C 89 63.140 62.588 0.552 1
1 1452 . 4 2 2 B 40 40 SER N N 89 116.937 116.389 0.548 1
1 1453 . 4 2 2 B 41 41 PRO HA H 90 4.441 4.561 -0.120 1
1 1460 . 4 2 2 B 41 41 PRO CA C 90 63.140 64.163 -1.023 1
1 1461 . 4 2 2 B 41 41 PRO CB C 90 32.143 31.839 0.304 1
1 6 . 5 1 1 A 2 2 PRO HA H 1765 4.433 4.348 0.085 1
1 13 . 5 1 1 A 2 2 PRO CA C 1765 64.810 64.816 -0.006 1
1 14 . 5 1 1 A 2 2 PRO CB C 1765 31.907 32.048 -0.141 1
1 17 . 5 1 1 A 3 3 GLN H H 1766 8.442 8.281 0.161 1
1 18 . 5 1 1 A 3 3 GLN HA H 1766 3.889 4.035 -0.146 1
1 25 . 5 1 1 A 3 3 GLN CA C 1766 59.103 59.094 0.009 1
1 26 . 5 1 1 A 3 3 GLN CB C 1766 28.595 28.020 0.575 1
1 28 . 5 1 1 A 3 3 GLN N N 1766 115.685 117.554 -1.869 1
1 30 . 5 1 1 A 4 4 GLU H H 1767 8.161 8.020 0.141 1
1 31 . 5 1 1 A 4 4 GLU HA H 1767 4.197 4.072 0.125 1
1 36 . 5 1 1 A 4 4 GLU CA C 1767 57.727 59.355 -1.628 1
1 37 . 5 1 1 A 4 4 GLU CB C 1767 30.250 29.429 0.821 1
1 39 . 5 1 1 A 4 4 GLU N N 1767 121.941 120.226 1.715 1
1 40 . 5 1 1 A 5 5 SER H H 1768 8.291 7.797 0.494 1
1 41 . 5 1 1 A 5 5 SER HA H 1768 4.280 4.126 0.154 1
1 44 . 5 1 1 A 5 5 SER CA C 1768 60.800 61.800 -1.000 1
1 45 . 5 1 1 A 5 5 SER CB C 1768 63.435 62.827 0.608 1
1 46 . 5 1 1 A 5 5 SER N N 1768 116.360 117.349 -0.989 1
1 47 . 5 1 1 A 6 6 ARG H H 1769 7.935 8.031 -0.096 1
1 48 . 5 1 1 A 6 6 ARG HA H 1769 4.120 4.025 0.095 1
1 52 . 5 1 1 A 6 6 ARG N N 1769 122.139 121.919 0.220 1
1 53 . 5 1 1 A 7 7 ARG H H 1770 7.952 7.827 0.125 1
1 54 . 5 1 1 A 7 7 ARG HA H 1770 3.939 3.941 -0.002 1
1 61 . 5 1 1 A 7 7 ARG N N 1770 119.527 119.773 -0.246 1
1 62 . 5 1 1 A 8 8 LEU H H 1771 8.120 8.376 -0.256 1
1 63 . 5 1 1 A 8 8 LEU HA H 1771 4.188 4.003 0.185 1
1 73 . 5 1 1 A 8 8 LEU CA C 1771 56.786 57.731 -0.945 1
1 74 . 5 1 1 A 8 8 LEU CB C 1771 41.556 41.722 -0.166 1
1 78 . 5 1 1 A 8 8 LEU N N 1771 120.237 120.646 -0.409 1
1 79 . 5 1 1 A 9 9 SER H H 1772 8.860 7.940 0.920 1
1 80 . 5 1 1 A 9 9 SER HA H 1772 4.224 4.009 0.215 1
1 83 . 5 1 1 A 9 9 SER CA C 1772 61.728 62.245 -0.517 1
1 84 . 5 1 1 A 9 9 SER CB C 1772 62.198 63.079 -0.881 1
1 85 . 5 1 1 A 9 9 SER N N 1772 116.214 113.631 2.583 1
1 86 . 5 1 1 A 10 10 ILE H H 1773 8.133 7.855 0.278 1
1 87 . 5 1 1 A 10 10 ILE HA H 1773 3.510 3.559 -0.049 1
1 97 . 5 1 1 A 10 10 ILE CA C 1773 64.787 65.175 -0.388 1
1 98 . 5 1 1 A 10 10 ILE CB C 1773 38.732 37.499 1.233 1
1 102 . 5 1 1 A 10 10 ILE N N 1773 122.927 121.391 1.536 1
1 103 . 5 1 1 A 11 11 GLN H H 1774 8.250 8.185 0.065 1
1 104 . 5 1 1 A 11 11 GLN HA H 1774 3.980 4.067 -0.087 1
1 111 . 5 1 1 A 11 11 GLN CA C 1774 58.900 58.324 0.576 1
1 113 . 5 1 1 A 11 11 GLN N N 1774 118.893 119.930 -1.037 1
1 115 . 5 1 1 A 12 12 ARG H H 1775 8.272 7.888 0.384 1
1 116 . 5 1 1 A 12 12 ARG HA H 1775 4.168 4.075 0.093 1
1 123 . 5 1 1 A 12 12 ARG CA C 1775 57.730 59.414 -1.684 1
1 126 . 5 1 1 A 12 12 ARG N N 1775 119.560 119.212 0.348 1
1 127 . 5 1 1 A 13 13 CYS HA H 1776 4.176 4.143 0.033 1
1 130 . 5 1 1 A 13 13 CYS CA C 1776 63.610 62.192 1.418 1
1 131 . 5 1 1 A 13 13 CYS CB C 1776 26.965 27.422 -0.457 1
1 132 . 5 1 1 A 14 14 ILE H H 1777 8.597 8.034 0.563 1
1 133 . 5 1 1 A 14 14 ILE HA H 1777 3.735 3.706 0.029 1
1 143 . 5 1 1 A 14 14 ILE CA C 1777 65.220 64.908 0.312 1
1 144 . 5 1 1 A 14 14 ILE CB C 1777 37.320 37.144 0.176 1
1 148 . 5 1 1 A 14 14 ILE N N 1777 120.174 120.647 -0.473 1
1 149 . 5 1 1 A 15 15 GLN H H 1778 8.105 8.038 0.067 1
1 150 . 5 1 1 A 15 15 GLN HA H 1778 4.700 4.030 0.670 1
1 157 . 5 1 1 A 15 15 GLN CA C 1778 59.139 59.001 0.138 1
1 158 . 5 1 1 A 15 15 GLN CB C 1778 28.377 28.800 -0.423 1
1 160 . 5 1 1 A 15 15 GLN N N 1778 119.677 120.323 -0.646 1
1 162 . 5 1 1 A 16 16 SER H H 1779 8.115 7.634 0.481 1
1 163 . 5 1 1 A 16 16 SER HA H 1779 4.407 4.128 0.279 1
1 166 . 5 1 1 A 16 16 SER CA C 1779 61.963 62.595 -0.632 1
1 167 . 5 1 1 A 16 16 SER CB C 1779 63.425 62.860 0.565 1
1 168 . 5 1 1 A 16 16 SER N N 1779 116.542 116.488 0.054 1
1 169 . 5 1 1 A 17 17 LEU H H 1780 8.496 7.993 0.503 1
1 170 . 5 1 1 A 17 17 LEU HA H 1780 3.970 4.023 -0.053 1
1 180 . 5 1 1 A 17 17 LEU CA C 1780 58.286 58.428 -0.142 1
1 181 . 5 1 1 A 17 17 LEU CB C 1780 42.262 41.964 0.298 1
1 185 . 5 1 1 A 17 17 LEU N N 1780 124.870 123.208 1.662 1
1 186 . 5 1 1 A 18 18 VAL H H 1781 8.540 8.021 0.519 1
1 187 . 5 1 1 A 18 18 VAL HA H 1781 3.246 3.511 -0.265 1
1 195 . 5 1 1 A 18 18 VAL CA C 1781 66.905 66.746 0.159 1
1 196 . 5 1 1 A 18 18 VAL CB C 1781 31.672 31.645 0.027 1
1 199 . 5 1 1 A 18 18 VAL N N 1781 119.345 119.133 0.212 1
1 200 . 5 1 1 A 19 19 HIS H H 1782 7.944 8.310 -0.366 1
1 201 . 5 1 1 A 19 19 HIS HA H 1782 4.191 4.088 0.103 1
1 206 . 5 1 1 A 19 19 HIS CA C 1782 59.845 60.220 -0.375 1
1 207 . 5 1 1 A 19 19 HIS CB C 1782 26.965 29.798 -2.833 1
1 210 . 5 1 1 A 19 19 HIS N N 1782 116.521 119.053 -2.532 1
1 211 . 5 1 1 A 20 20 ALA H H 1783 9.830 8.465 1.365 1
1 212 . 5 1 1 A 20 20 ALA HA H 1783 4.367 4.068 0.299 1
1 216 . 5 1 1 A 20 20 ALA CA C 1783 55.191 55.022 0.169 1
1 217 . 5 1 1 A 20 20 ALA CB C 1783 20.695 18.349 2.346 1
1 218 . 5 1 1 A 20 20 ALA N N 1783 121.753 120.465 1.288 1
1 219 . 5 1 1 A 21 21 CYS H H 1784 7.913 7.553 0.360 1
1 220 . 5 1 1 A 21 21 CYS HA H 1784 4.236 4.352 -0.116 1
1 223 . 5 1 1 A 21 21 CYS CA C 1784 61.963 60.396 1.567 1
1 224 . 5 1 1 A 21 21 CYS CB C 1784 26.965 26.884 0.081 1
1 225 . 5 1 1 A 21 21 CYS N N 1784 112.237 115.308 -3.071 1
1 226 . 5 1 1 A 22 22 GLN H H 1785 7.320 8.030 -0.710 1
1 227 . 5 1 1 A 22 22 GLN HA H 1785 4.475 4.430 0.045 1
1 234 . 5 1 1 A 22 22 GLN CA C 1785 54.970 55.181 -0.211 1
1 235 . 5 1 1 A 22 22 GLN CB C 1785 30.731 29.750 0.981 1
1 237 . 5 1 1 A 22 22 GLN N N 1785 115.939 115.316 0.623 1
1 239 . 5 1 1 A 23 23 CYS H H 1786 7.268 7.512 -0.244 1
1 240 . 5 1 1 A 23 23 CYS HA H 1786 3.898 4.141 -0.243 1
1 243 . 5 1 1 A 23 23 CYS CA C 1786 60.800 60.031 0.769 1
1 244 . 5 1 1 A 23 23 CYS CB C 1786 28.848 28.694 0.154 1
1 245 . 5 1 1 A 23 23 CYS N N 1786 124.452 119.895 4.557 1
1 246 . 5 1 1 A 24 24 ARG H H 1787 8.854 8.959 -0.105 1
1 247 . 5 1 1 A 24 24 ARG HA H 1787 4.539 4.283 0.256 1
1 254 . 5 1 1 A 24 24 ARG CA C 1787 54.735 57.852 -3.117 1
1 255 . 5 1 1 A 24 24 ARG CB C 1787 30.250 30.477 -0.227 1
1 258 . 5 1 1 A 24 24 ARG N N 1787 130.523 127.800 2.723 1
1 259 . 5 1 1 A 25 25 ASN H H 1788 7.553 7.745 -0.192 1
1 260 . 5 1 1 A 25 25 ASN HA H 1788 4.799 4.964 -0.165 1
1 265 . 5 1 1 A 25 25 ASN CA C 1788 51.911 52.068 -0.157 1
1 266 . 5 1 1 A 25 25 ASN CB C 1788 39.203 40.550 -1.347 1
1 267 . 5 1 1 A 25 25 ASN N N 1788 119.613 118.053 1.560 1
1 269 . 5 1 1 A 26 26 ALA H H 1789 9.185 9.140 0.045 1
1 270 . 5 1 1 A 26 26 ALA HA H 1789 4.740 4.053 0.687 1
1 274 . 5 1 1 A 26 26 ALA CA C 1789 54.264 54.719 -0.455 1
1 275 . 5 1 1 A 26 26 ALA CB C 1789 18.796 18.470 0.326 1
1 276 . 5 1 1 A 26 26 ALA N N 1789 130.841 128.976 1.865 1
1 277 . 5 1 1 A 27 27 ASN H H 1790 8.520 7.850 0.670 1
1 278 . 5 1 1 A 27 27 ASN HA H 1790 4.761 4.899 -0.138 1
1 283 . 5 1 1 A 27 27 ASN CA C 1790 51.911 53.463 -1.552 1
1 284 . 5 1 1 A 27 27 ASN CB C 1790 38.967 39.046 -0.079 1
1 285 . 5 1 1 A 27 27 ASN N N 1790 113.345 113.706 -0.361 1
1 287 . 5 1 1 A 28 28 CYS H H 1791 7.224 7.229 -0.005 1
1 288 . 5 1 1 A 28 28 CYS HA H 1791 4.950 4.318 0.632 1
1 291 . 5 1 1 A 28 28 CYS CA C 1791 61.257 60.109 1.148 1
1 292 . 5 1 1 A 28 28 CYS CB C 1791 30.495 28.965 1.530 1
1 293 . 5 1 1 A 28 28 CYS N N 1791 123.463 120.541 2.922 1
1 294 . 5 1 1 A 29 29 SER H H 1792 8.811 8.812 -0.001 1
1 295 . 5 1 1 A 29 29 SER HA H 1792 4.449 4.372 0.077 1
1 298 . 5 1 1 A 29 29 SER CA C 1792 57.492 60.214 -2.722 1
1 299 . 5 1 1 A 29 29 SER CB C 1792 63.835 63.328 0.507 1
1 300 . 5 1 1 A 29 29 SER N N 1792 125.781 120.892 4.889 1
1 301 . 5 1 1 A 30 30 LEU H H 1793 7.851 7.348 0.503 1
1 302 . 5 1 1 A 30 30 LEU HA H 1793 4.507 4.439 0.068 1
1 312 . 5 1 1 A 30 30 LEU CA C 1793 53.558 52.901 0.657 1
1 313 . 5 1 1 A 30 30 LEU CB C 1793 42.270 43.105 -0.835 1
1 317 . 5 1 1 A 30 30 LEU N N 1793 125.656 123.325 2.331 1
1 318 . 5 1 1 A 31 31 PRO HA H 1794 4.363 4.281 0.082 1
1 325 . 5 1 1 A 31 31 PRO CA C 1794 64.787 64.951 -0.164 1
1 326 . 5 1 1 A 31 31 PRO CB C 1794 32.708 31.862 0.846 1
1 329 . 5 1 1 A 32 32 SER H H 1795 8.625 8.226 0.399 1
1 330 . 5 1 1 A 32 32 SER HA H 1795 4.309 4.141 0.168 1
1 332 . 5 1 1 A 32 32 SER CA C 1795 60.124 61.565 -1.441 1
1 333 . 5 1 1 A 32 32 SER CB C 1795 62.982 62.459 0.523 1
1 334 . 5 1 1 A 32 32 SER N N 1795 112.707 113.187 -0.480 1
1 335 . 5 1 1 A 33 33 CYS H H 1796 6.679 8.034 -1.355 1
1 336 . 5 1 1 A 33 33 CYS HA H 1796 4.108 3.992 0.116 1
1 339 . 5 1 1 A 33 33 CYS CA C 1796 62.669 62.686 -0.017 1
1 340 . 5 1 1 A 33 33 CYS CB C 1796 30.495 26.634 3.861 1
1 341 . 5 1 1 A 33 33 CYS N N 1796 126.200 121.197 5.003 1
1 342 . 5 1 1 A 34 34 GLN H H 1797 7.870 8.072 -0.202 1
1 343 . 5 1 1 A 34 34 GLN HA H 1797 3.867 3.902 -0.035 1
1 350 . 5 1 1 A 34 34 GLN CA C 1797 59.140 59.297 -0.157 1
1 351 . 5 1 1 A 34 34 GLN CB C 1797 31.360 28.186 3.174 1
1 353 . 5 1 1 A 34 34 GLN N N 1797 115.529 119.886 -4.357 1
1 355 . 5 1 1 A 35 35 LYS H H 1798 8.340 8.171 0.169 1
1 356 . 5 1 1 A 35 35 LYS HA H 1798 4.240 4.037 0.203 1
1 365 . 5 1 1 A 35 35 LYS CA C 1798 58.904 59.402 -0.498 1
1 366 . 5 1 1 A 35 35 LYS CB C 1798 32.686 32.223 0.463 1
1 370 . 5 1 1 A 35 35 LYS N N 1798 117.144 119.399 -2.255 1
1 371 . 5 1 1 A 36 36 MET H H 1799 8.163 8.037 0.126 1
1 372 . 5 1 1 A 36 36 MET HA H 1799 4.369 4.152 0.217 1
1 380 . 5 1 1 A 36 36 MET CA C 1799 56.474 58.390 -1.916 1
1 381 . 5 1 1 A 36 36 MET CB C 1799 31.110 31.937 -0.827 1
1 384 . 5 1 1 A 36 36 MET N N 1799 117.485 118.966 -1.481 1
1 385 . 5 1 1 A 37 37 LYS H H 1800 9.337 8.213 1.124 1
1 386 . 5 1 1 A 37 37 LYS HA H 1800 3.840 3.988 -0.148 1
1 395 . 5 1 1 A 37 37 LYS CA C 1800 61.200 59.952 1.248 1
1 396 . 5 1 1 A 37 37 LYS CB C 1800 32.691 32.276 0.415 1
1 400 . 5 1 1 A 37 37 LYS N N 1800 120.830 119.130 1.700 1
1 401 . 5 1 1 A 38 38 ARG H H 1801 7.399 7.516 -0.117 1
1 402 . 5 1 1 A 38 38 ARG HA H 1801 4.490 4.053 0.437 1
1 409 . 5 1 1 A 38 38 ARG CA C 1801 59.263 59.340 -0.077 1
1 410 . 5 1 1 A 38 38 ARG CB C 1801 31.179 29.978 1.201 1
1 413 . 5 1 1 A 38 38 ARG N N 1801 118.965 119.861 -0.896 1
1 414 . 5 1 1 A 39 39 VAL H H 1802 8.420 7.867 0.553 1
1 415 . 5 1 1 A 39 39 VAL HA H 1802 3.239 3.804 -0.565 1
1 423 . 5 1 1 A 39 39 VAL CA C 1802 67.140 65.425 1.715 1
1 424 . 5 1 1 A 39 39 VAL CB C 1802 31.685 31.397 0.288 1
1 427 . 5 1 1 A 39 39 VAL N N 1802 123.140 115.843 7.297 1
1 428 . 5 1 1 A 40 40 VAL H H 1803 8.195 8.021 0.174 1
1 429 . 5 1 1 A 40 40 VAL HA H 1803 3.403 3.615 -0.212 1
1 437 . 5 1 1 A 40 40 VAL CA C 1803 66.905 66.773 0.132 1
1 438 . 5 1 1 A 40 40 VAL CB C 1803 31.907 31.442 0.465 1
1 441 . 5 1 1 A 40 40 VAL N N 1803 118.716 121.198 -2.482 1
1 442 . 5 1 1 A 41 41 GLN H H 1804 8.310 8.267 0.043 1
1 443 . 5 1 1 A 41 41 GLN HA H 1804 3.916 4.079 -0.163 1
1 450 . 5 1 1 A 41 41 GLN CA C 1804 58.591 58.912 -0.321 1
1 451 . 5 1 1 A 41 41 GLN CB C 1804 28.561 28.511 0.050 1
1 453 . 5 1 1 A 41 41 GLN N N 1804 119.193 118.684 0.509 1
1 455 . 5 1 1 A 42 42 HIS H H 1805 8.152 7.954 0.198 1
1 456 . 5 1 1 A 42 42 HIS HA H 1805 4.222 4.367 -0.145 1
1 461 . 5 1 1 A 42 42 HIS CA C 1805 59.139 59.441 -0.302 1
1 462 . 5 1 1 A 42 42 HIS CB C 1805 27.201 30.288 -3.087 1
1 465 . 5 1 1 A 42 42 HIS N N 1805 118.579 121.728 -3.149 1
1 466 . 5 1 1 A 43 43 THR H H 1806 7.997 8.574 -0.577 1
1 467 . 5 1 1 A 43 43 THR HA H 1806 3.888 4.076 -0.188 1
1 473 . 5 1 1 A 43 43 THR CA C 1806 65.728 65.420 0.308 1
1 474 . 5 1 1 A 43 43 THR CB C 1806 69.023 69.006 0.017 1
1 476 . 5 1 1 A 43 43 THR N N 1806 113.599 113.783 -0.184 1
1 477 . 5 1 1 A 44 44 LYS H H 1807 7.381 8.663 -1.282 1
1 478 . 5 1 1 A 44 44 LYS HA H 1807 4.190 4.199 -0.009 1
1 487 . 5 1 1 A 44 44 LYS CA C 1807 58.668 58.062 0.606 1
1 488 . 5 1 1 A 44 44 LYS CB C 1807 32.731 31.269 1.462 1
1 492 . 5 1 1 A 44 44 LYS N N 1807 120.270 119.567 0.703 1
1 493 . 5 1 1 A 45 45 GLY H H 1808 7.610 7.865 -0.255 1
1 494 . 5 1 1 A 45 45 GLY HA2 H 1808 3.610 4.068 -0.458 1
1 495 . 5 1 1 A 45 45 GLY HA3 H 1808 4.380 4.086 0.294 1
1 496 . 5 1 1 A 45 45 GLY CA C 1808 44.851 45.292 -0.441 1
1 497 . 5 1 1 A 45 45 GLY N N 1808 125.480 106.665 18.815 1
1 498 . 5 1 1 A 46 46 CYS H H 1809 6.898 7.567 -0.669 1
1 499 . 5 1 1 A 46 46 CYS HA H 1809 3.957 4.179 -0.222 1
1 502 . 5 1 1 A 46 46 CYS CA C 1809 60.551 59.413 1.138 1
1 503 . 5 1 1 A 46 46 CYS CB C 1809 30.260 28.790 1.470 1
1 504 . 5 1 1 A 46 46 CYS N N 1809 123.457 120.015 3.442 1
1 505 . 5 1 1 A 47 47 LYS HA H 1810 4.471 4.303 0.168 1
1 514 . 5 1 1 A 47 47 LYS CA C 1810 56.800 57.343 -0.543 1
1 515 . 5 1 1 A 47 47 LYS CB C 1810 33.840 32.425 1.415 1
1 518 . 5 1 1 A 48 48 ARG H H 1811 8.575 7.522 1.053 1
1 519 . 5 1 1 A 48 48 ARG HA H 1811 4.366 4.365 0.001 1
1 526 . 5 1 1 A 48 48 ARG CA C 1811 57.256 57.864 -0.608 1
1 527 . 5 1 1 A 48 48 ARG CB C 1811 32.143 32.213 -0.070 1
1 530 . 5 1 1 A 48 48 ARG N N 1811 122.731 119.376 3.355 1
1 531 . 5 1 1 A 49 49 LYS H H 1812 8.663 7.768 0.895 1
1 532 . 5 1 1 A 49 49 LYS HA H 1812 4.521 4.178 0.343 1
1 539 . 5 1 1 A 49 49 LYS CA C 1812 57.256 58.462 -1.206 1
1 540 . 5 1 1 A 49 49 LYS CB C 1812 32.378 31.269 1.109 1
1 543 . 5 1 1 A 49 49 LYS N N 1812 118.409 118.436 -0.027 1
1 544 . 5 1 1 A 50 50 THR HA H 1813 4.710 3.979 0.731 1
1 549 . 5 1 1 A 50 50 THR CA C 1813 63.846 65.671 -1.825 1
1 550 . 5 1 1 A 50 50 THR CB C 1813 68.317 68.377 -0.060 1
1 552 . 5 1 1 A 51 51 ASN HA H 1814 4.676 4.380 0.296 1
1 557 . 5 1 1 A 51 51 ASN CA C 1814 82.908 56.349 26.559 1
1 558 . 5 1 1 A 51 51 ASN CB C 1814 38.732 38.587 0.145 1
1 560 . 5 1 1 A 52 52 GLY H H 1815 7.879 7.587 0.292 1
1 561 . 5 1 1 A 52 52 GLY HA2 H 1815 4.300 3.946 0.354 1
1 562 . 5 1 1 A 52 52 GLY HA3 H 1815 3.831 3.949 -0.118 1
1 563 . 5 1 1 A 52 52 GLY CA C 1815 45.557 45.307 0.250 1
1 564 . 5 1 1 A 52 52 GLY N N 1815 129.890 105.829 24.061 1
1 565 . 5 1 1 A 53 53 GLY H H 1816 7.765 7.647 0.118 1
1 566 . 5 1 1 A 53 53 GLY HA2 H 1816 3.885 3.956 -0.071 1
1 567 . 5 1 1 A 53 53 GLY HA3 H 1816 3.985 3.958 0.027 1
1 568 . 5 1 1 A 53 53 GLY CA C 1816 45.792 45.406 0.386 1
1 569 . 5 1 1 A 53 53 GLY N N 1816 128.949 107.948 21.001 1
1 570 . 5 1 1 A 54 54 CYS H H 1817 8.800 8.058 0.742 1
1 571 . 5 1 1 A 54 54 CYS HA H 1817 4.821 4.534 0.287 1
1 574 . 5 1 1 A 54 54 CYS CA C 1817 55.138 57.510 -2.372 1
1 575 . 5 1 1 A 54 54 CYS CB C 1817 30.966 28.943 2.023 1
1 576 . 5 1 1 A 54 54 CYS N N 1817 122.429 119.176 3.253 1
1 577 . 5 1 1 A 55 55 PRO HA H 1818 4.330 4.335 -0.005 1
1 584 . 5 1 1 A 55 55 PRO CA C 1818 64.787 65.649 -0.862 1
1 585 . 5 1 1 A 55 55 PRO CB C 1818 32.613 31.721 0.892 1
1 588 . 5 1 1 A 56 56 VAL H H 1819 7.750 7.437 0.313 1
1 589 . 5 1 1 A 56 56 VAL HA H 1819 3.884 3.523 0.361 1
1 597 . 5 1 1 A 56 56 VAL CA C 1819 65.728 66.276 -0.548 1
1 598 . 5 1 1 A 56 56 VAL CB C 1819 32.849 31.097 1.752 1
1 601 . 5 1 1 A 56 56 VAL N N 1819 121.605 115.318 6.287 1
1 602 . 5 1 1 A 57 57 CYS H H 1820 8.884 8.055 0.829 1
1 603 . 5 1 1 A 57 57 CYS HA H 1820 4.106 3.897 0.209 1
1 606 . 5 1 1 A 57 57 CYS CA C 1820 65.728 63.729 1.999 1
1 607 . 5 1 1 A 57 57 CYS CB C 1820 30.250 27.150 3.100 1
1 608 . 5 1 1 A 57 57 CYS N N 1820 124.260 117.451 6.809 1
1 609 . 5 1 1 A 58 58 LYS H H 1821 8.133 7.977 0.156 1
1 610 . 5 1 1 A 58 58 LYS HA H 1821 3.942 3.839 0.103 1
1 619 . 5 1 1 A 58 58 LYS CA C 1821 59.610 59.593 0.017 1
1 620 . 5 1 1 A 58 58 LYS CB C 1821 32.849 32.292 0.557 1
1 624 . 5 1 1 A 58 58 LYS N N 1821 117.129 121.115 -3.986 1
1 625 . 5 1 1 A 59 59 GLN H H 1822 7.318 7.752 -0.434 1
1 626 . 5 1 1 A 59 59 GLN HA H 1822 4.357 3.973 0.384 1
1 632 . 5 1 1 A 59 59 GLN N N 1822 117.943 118.443 -0.500 1
1 633 . 5 1 1 A 60 60 LEU H H 1823 8.667 7.606 1.061 1
1 634 . 5 1 1 A 60 60 LEU HA H 1823 4.950 3.993 0.957 1
1 647 . 5 1 1 A 60 60 LEU N N 1823 120.670 120.602 0.068 1
1 648 . 5 1 1 A 61 61 ILE H H 1824 8.780 8.243 0.537 1
1 649 . 5 1 1 A 61 61 ILE HA H 1824 3.614 3.537 0.077 1
1 659 . 5 1 1 A 61 61 ILE CA C 1824 64.787 65.597 -0.810 1
1 660 . 5 1 1 A 61 61 ILE CB C 1824 37.320 37.335 -0.015 1
1 664 . 5 1 1 A 61 61 ILE N N 1824 119.837 118.809 1.028 1
1 665 . 5 1 1 A 62 62 ALA H H 1825 7.675 8.412 -0.737 1
1 666 . 5 1 1 A 62 62 ALA HA H 1825 4.112 4.076 0.036 1
1 670 . 5 1 1 A 62 62 ALA CA C 1825 55.374 55.319 0.055 1
1 671 . 5 1 1 A 62 62 ALA CB C 1825 18.560 18.209 0.351 1
1 672 . 5 1 1 A 62 62 ALA N N 1825 122.779 122.360 0.419 1
1 673 . 5 1 1 A 63 63 LEU H H 1826 7.983 7.659 0.324 1
1 674 . 5 1 1 A 63 63 LEU HA H 1826 4.114 4.099 0.015 1
1 684 . 5 1 1 A 63 63 LEU CA C 1826 58.334 58.051 0.283 1
1 685 . 5 1 1 A 63 63 LEU CB C 1826 42.821 41.154 1.667 1
1 689 . 5 1 1 A 63 63 LEU N N 1826 118.291 117.813 0.478 1
1 690 . 5 1 1 A 64 64 CYS H H 1827 8.663 8.414 0.249 1
1 691 . 5 1 1 A 64 64 CYS HA H 1827 4.350 4.224 0.126 1
1 694 . 5 1 1 A 64 64 CYS CA C 1827 64.800 62.728 2.072 1
1 695 . 5 1 1 A 64 64 CYS CB C 1827 26.495 26.072 0.423 1
1 696 . 5 1 1 A 64 64 CYS N N 1827 118.409 117.574 0.835 1
1 697 . 5 1 1 A 65 65 CYS H H 1828 8.672 8.489 0.183 1
1 698 . 5 1 1 A 65 65 CYS HA H 1828 4.152 4.080 0.072 1
1 701 . 5 1 1 A 65 65 CYS CA C 1828 63.547 63.094 0.453 1
1 702 . 5 1 1 A 65 65 CYS CB C 1828 26.495 26.451 0.044 1
1 703 . 5 1 1 A 65 65 CYS N N 1828 118.996 121.826 -2.830 1
1 704 . 5 1 1 A 66 66 TYR H H 1829 7.837 8.516 -0.679 1
1 705 . 5 1 1 A 66 66 TYR HA H 1829 4.199 4.244 -0.045 1
1 712 . 5 1 1 A 66 66 TYR CA C 1829 61.220 61.828 -0.608 1
1 713 . 5 1 1 A 66 66 TYR CB C 1829 38.261 38.596 -0.335 1
1 716 . 5 1 1 A 66 66 TYR N N 1829 120.650 122.225 -1.575 1
1 717 . 5 1 1 A 67 67 HIS H H 1830 8.323 8.399 -0.076 1
1 718 . 5 1 1 A 67 67 HIS HA H 1830 4.341 4.411 -0.070 1
1 723 . 5 1 1 A 67 67 HIS CA C 1830 58.668 60.421 -1.753 1
1 724 . 5 1 1 A 67 67 HIS CB C 1830 27.907 29.953 -2.046 1
1 727 . 5 1 1 A 67 67 HIS N N 1830 117.149 119.366 -2.217 1
1 728 . 5 1 1 A 68 68 ALA H H 1831 8.693 8.526 0.167 1
1 729 . 5 1 1 A 68 68 ALA HA H 1831 4.250 4.024 0.226 1
1 733 . 5 1 1 A 68 68 ALA CA C 1831 55.205 55.305 -0.100 1
1 734 . 5 1 1 A 68 68 ALA CB C 1831 20.695 18.533 2.162 1
1 735 . 5 1 1 A 68 68 ALA N N 1831 121.519 120.855 0.664 1
1 736 . 5 1 1 A 69 69 LYS H H 1832 7.126 8.066 -0.940 1
1 737 . 5 1 1 A 69 69 LYS HA H 1832 3.737 4.061 -0.324 1
1 746 . 5 1 1 A 69 69 LYS CA C 1832 57.962 59.550 -1.588 1
1 747 . 5 1 1 A 69 69 LYS CB C 1832 32.613 31.701 0.912 1
1 751 . 5 1 1 A 69 69 LYS N N 1832 114.376 118.851 -4.475 1
1 752 . 5 1 1 A 70 70 HIS H H 1833 6.884 7.385 -0.501 1
1 753 . 5 1 1 A 70 70 HIS HA H 1833 4.711 4.356 0.355 1
1 758 . 5 1 1 A 70 70 HIS CA C 1833 54.970 57.811 -2.841 1
1 759 . 5 1 1 A 70 70 HIS CB C 1833 31.201 30.984 0.217 1
1 762 . 5 1 1 A 70 70 HIS N N 1833 113.369 114.468 -1.099 1
1 763 . 5 1 1 A 71 71 CYS H H 1834 6.969 7.492 -0.523 1
1 764 . 5 1 1 A 71 71 CYS HA H 1834 4.210 4.250 -0.040 1
1 767 . 5 1 1 A 71 71 CYS CA C 1834 60.800 59.797 1.003 1
1 768 . 5 1 1 A 71 71 CYS CB C 1834 30.250 27.990 2.260 1
1 769 . 5 1 1 A 71 71 CYS N N 1834 123.813 117.927 5.886 1
1 770 . 5 1 1 A 72 72 GLN H H 1835 9.101 8.494 0.607 1
1 771 . 5 1 1 A 72 72 GLN HA H 1835 4.646 4.700 -0.054 1
1 778 . 5 1 1 A 72 72 GLN CA C 1835 54.735 55.352 -0.617 1
1 779 . 5 1 1 A 72 72 GLN CB C 1835 29.319 30.046 -0.727 1
1 781 . 5 1 1 A 72 72 GLN N N 1835 128.430 122.771 5.659 1
1 783 . 5 1 1 A 73 73 GLU H H 1836 8.331 7.785 0.546 1
1 784 . 5 1 1 A 73 73 GLU HA H 1836 4.365 4.333 0.032 1
1 788 . 5 1 1 A 73 73 GLU CA C 1836 55.374 56.222 -0.848 1
1 789 . 5 1 1 A 73 73 GLU CB C 1836 30.731 30.317 0.414 1
1 791 . 5 1 1 A 73 73 GLU N N 1836 123.251 121.598 1.653 1
1 792 . 5 1 1 A 74 74 ASN HA H 1837 4.512 4.535 -0.023 1
1 797 . 5 1 1 A 74 74 ASN CA C 1837 54.970 55.142 -0.172 1
1 798 . 5 1 1 A 74 74 ASN CB C 1837 38.732 37.744 0.988 1
1 800 . 5 1 1 A 75 75 LYS H H 1838 8.779 7.583 1.196 1
1 801 . 5 1 1 A 75 75 LYS HA H 1838 4.424 4.616 -0.192 1
1 810 . 5 1 1 A 75 75 LYS CA C 1838 54.735 54.987 -0.252 1
1 811 . 5 1 1 A 75 75 LYS CB C 1838 30.966 33.044 -2.078 1
1 815 . 5 1 1 A 75 75 LYS N N 1838 121.350 117.481 3.869 1
1 816 . 5 1 1 A 76 76 CYS H H 1839 7.590 7.146 0.444 1
1 817 . 5 1 1 A 76 76 CYS HA H 1839 4.361 4.383 -0.022 1
1 820 . 5 1 1 A 76 76 CYS CA C 1839 57.256 57.573 -0.317 1
1 821 . 5 1 1 A 76 76 CYS CB C 1839 30.731 28.270 2.461 1
1 822 . 5 1 1 A 76 76 CYS N N 1839 124.209 121.414 2.795 1
1 823 . 5 1 1 A 77 77 PRO HA H 1840 4.651 4.372 0.279 1
1 830 . 5 1 1 A 77 77 PRO CA C 1840 62.669 64.404 -1.735 1
1 831 . 5 1 1 A 77 77 PRO CB C 1840 32.849 31.943 0.906 1
1 834 . 5 1 1 A 78 78 VAL H H 1841 8.962 7.700 1.262 1
1 835 . 5 1 1 A 78 78 VAL HA H 1841 4.199 4.186 0.013 1
1 843 . 5 1 1 A 78 78 VAL CA C 1841 61.257 61.035 0.222 1
1 844 . 5 1 1 A 78 78 VAL CB C 1841 31.672 32.190 -0.518 1
1 847 . 5 1 1 A 78 78 VAL N N 1841 128.606 119.534 9.072 1
1 848 . 5 1 1 A 79 79 PRO HA H 1842 3.936 4.164 -0.228 1
1 855 . 5 1 1 A 79 79 PRO CA C 1842 63.846 65.481 -1.635 1
1 856 . 5 1 1 A 79 79 PRO CB C 1842 30.731 31.603 -0.872 1
1 859 . 5 1 1 A 80 80 PHE HA H 1843 4.255 4.196 0.059 1
1 866 . 5 1 1 A 80 80 PHE CA C 1843 59.374 60.573 -1.199 1
1 867 . 5 1 1 A 80 80 PHE CB C 1843 37.791 37.972 -0.181 1
1 870 . 5 1 1 A 81 81 CYS H H 1844 7.660 8.354 -0.694 1
1 871 . 5 1 1 A 81 81 CYS HA H 1844 3.997 4.212 -0.215 1
1 874 . 5 1 1 A 81 81 CYS CA C 1844 64.552 62.599 1.953 1
1 875 . 5 1 1 A 81 81 CYS CB C 1844 30.495 27.254 3.241 1
1 876 . 5 1 1 A 81 81 CYS N N 1844 124.104 118.434 5.670 1
1 877 . 5 1 1 A 82 82 LEU H H 1845 8.170 8.375 -0.205 1
1 878 . 5 1 1 A 82 82 LEU HA H 1845 3.988 3.971 0.017 1
1 888 . 5 1 1 A 82 82 LEU CA C 1845 57.962 58.176 -0.214 1
1 889 . 5 1 1 A 82 82 LEU CB C 1845 41.321 41.428 -0.107 1
1 893 . 5 1 1 A 82 82 LEU N N 1845 115.950 120.901 -4.951 1
1 894 . 5 1 1 A 83 83 ASN H H 1846 7.826 8.364 -0.538 1
1 895 . 5 1 1 A 83 83 ASN HA H 1846 4.447 4.458 -0.011 1
1 900 . 5 1 1 A 83 83 ASN CA C 1846 56.800 56.995 -0.195 1
1 901 . 5 1 1 A 83 83 ASN CB C 1846 38.967 39.061 -0.094 1
1 902 . 5 1 1 A 83 83 ASN N N 1846 116.117 118.052 -1.935 1
1 904 . 5 1 1 A 84 84 ILE H H 1847 8.607 8.234 0.373 1
1 905 . 5 1 1 A 84 84 ILE HA H 1847 3.718 3.636 0.082 1
1 915 . 5 1 1 A 84 84 ILE CA C 1847 64.787 65.530 -0.743 1
1 916 . 5 1 1 A 84 84 ILE CB C 1847 38.497 37.933 0.564 1
1 920 . 5 1 1 A 84 84 ILE N N 1847 121.553 119.531 2.022 1
1 921 . 5 1 1 A 85 85 LYS H H 1848 8.855 8.213 0.642 1
1 922 . 5 1 1 A 85 85 LYS HA H 1848 3.859 3.948 -0.089 1
1 931 . 5 1 1 A 85 85 LYS CA C 1848 60.551 59.305 1.246 1
1 932 . 5 1 1 A 85 85 LYS CB C 1848 32.613 32.364 0.249 1
1 936 . 5 1 1 A 85 85 LYS N N 1848 119.992 118.885 1.107 1
1 937 . 5 1 1 A 86 86 HIS H H 1849 8.100 7.933 0.167 1
1 938 . 5 1 1 A 86 86 HIS HA H 1849 4.411 4.301 0.110 1
1 943 . 5 1 1 A 86 86 HIS CA C 1849 58.433 60.112 -1.679 1
1 944 . 5 1 1 A 86 86 HIS CB C 1849 30.495 29.529 0.966 1
1 947 . 5 1 1 A 86 86 HIS N N 1849 117.237 119.725 -2.488 1
1 948 . 5 1 1 A 87 87 LYS H H 1850 7.685 8.050 -0.365 1
1 949 . 5 1 1 A 87 87 LYS HA H 1850 4.128 4.067 0.061 1
1 958 . 5 1 1 A 87 87 LYS CA C 1850 57.727 58.866 -1.139 1
1 959 . 5 1 1 A 87 87 LYS CB C 1850 32.378 31.820 0.558 1
1 963 . 5 1 1 A 87 87 LYS N N 1850 119.118 117.767 1.351 1
1 964 . 5 1 1 A 88 88 LEU H H 1851 8.230 7.875 0.355 1
1 965 . 5 1 1 A 88 88 LEU HA H 1851 4.174 4.197 -0.023 1
1 975 . 5 1 1 A 88 88 LEU CA C 1851 56.800 57.457 -0.657 1
1 976 . 5 1 1 A 88 88 LEU CB C 1851 42.262 42.137 0.125 1
1 980 . 5 1 1 A 88 88 LEU N N 1851 119.305 119.404 -0.099 1
1 981 . 5 1 1 A 89 89 ARG H H 1852 7.765 8.549 -0.784 1
1 982 . 5 1 1 A 89 89 ARG HA H 1852 4.245 4.131 0.114 1
1 989 . 5 1 1 A 89 89 ARG CA C 1852 56.550 59.015 -2.465 1
1 990 . 5 1 1 A 89 89 ARG CB C 1852 30.260 29.875 0.385 1
1 993 . 5 1 1 A 89 89 ARG N N 1852 118.302 118.028 0.274 1
1 994 . 5 1 1 A 90 90 GLN H H 1853 7.851 7.830 0.021 1
1 995 . 5 1 1 A 90 90 GLN HA H 1853 4.262 4.047 0.215 1
1 1002 . 5 1 1 A 90 90 GLN CA C 1853 55.609 57.234 -1.625 1
1 1003 . 5 1 1 A 90 90 GLN CB C 1853 29.554 27.498 2.056 1
1 1005 . 5 1 1 A 90 90 GLN N N 1853 119.450 117.114 2.336 1
1 1007 . 5 1 1 A 91 91 GLN H H 1854 8.710 7.734 0.976 1
1 1008 . 5 1 1 A 91 91 GLN HA H 1854 4.317 4.193 0.124 1
1 1015 . 5 1 1 A 91 91 GLN CA C 1854 55.609 57.945 -2.336 1
1 1016 . 5 1 1 A 91 91 GLN CB C 1854 29.554 28.847 0.707 1
1 1018 . 5 1 1 A 91 91 GLN N N 1854 120.675 117.704 2.971 1
1 1038 . 5 2 2 B 2 2 HIS HA H 51 4.636 4.541 0.095 1
1 1043 . 5 2 2 B 2 2 HIS CA C 51 55.844 56.314 -0.470 1
1 1044 . 5 2 2 B 2 2 HIS CB C 51 30.495 30.218 0.277 1
1 1047 . 5 2 2 B 3 3 MET H H 52 8.230 8.667 -0.437 1
1 1048 . 5 2 2 B 3 3 MET HA H 52 4.430 4.410 0.020 1
1 1053 . 5 2 2 B 3 3 MET CA C 52 54.903 55.189 -0.286 1
1 1054 . 5 2 2 B 3 3 MET CB C 52 33.840 34.282 -0.442 1
1 1056 . 5 2 2 B 3 3 MET N N 52 121.881 120.334 1.547 1
1 1057 . 5 2 2 B 4 4 ALA H H 53 8.269 8.411 -0.142 1
1 1058 . 5 2 2 B 4 4 ALA HA H 53 4.586 4.494 0.092 1
1 1062 . 5 2 2 B 4 4 ALA CA C 53 51.255 50.982 0.273 1
1 1063 . 5 2 2 B 4 4 ALA CB C 53 18.796 17.757 1.039 1
1 1064 . 5 2 2 B 4 4 ALA N N 53 126.758 122.686 4.072 1
1 1065 . 5 2 2 B 5 5 PRO HA H 54 4.705 4.598 0.107 1
1 1072 . 5 2 2 B 5 5 PRO CA C 54 61.257 62.210 -0.953 1
1 1073 . 5 2 2 B 5 5 PRO CB C 54 30.966 32.925 -1.959 1
1 1076 . 5 2 2 B 6 6 GLU H H 55 8.468 8.534 -0.066 1
1 1077 . 5 2 2 B 6 6 GLU HA H 55 4.150 4.993 -0.843 1
1 1082 . 5 2 2 B 6 6 GLU CA C 55 56.550 54.732 1.818 1
1 1083 . 5 2 2 B 6 6 GLU CB C 55 30.495 33.106 -2.611 1
1 1085 . 5 2 2 B 6 6 GLU N N 55 121.693 118.102 3.591 1
1 1086 . 5 2 2 B 7 7 ASP H H 56 8.574 8.523 0.051 1
1 1087 . 5 2 2 B 7 7 ASP HA H 56 5.200 4.999 0.201 1
1 1090 . 5 2 2 B 7 7 ASP CA C 56 51.255 50.695 0.560 1
1 1091 . 5 2 2 B 7 7 ASP CB C 56 42.262 44.491 -2.229 1
1 1092 . 5 2 2 B 7 7 ASP N N 56 120.873 120.419 0.454 1
1 1093 . 5 2 2 B 8 8 PRO HA H 57 4.465 4.434 0.031 1
1 1100 . 5 2 2 B 8 8 PRO CA C 57 63.610 64.357 -0.747 1
1 1101 . 5 2 2 B 8 8 PRO CB C 57 32.378 31.795 0.583 1
1 1104 . 5 2 2 B 9 9 ASN H H 58 8.301 8.505 -0.204 1
1 1105 . 5 2 2 B 9 9 ASN HA H 58 4.809 4.484 0.325 1
1 1110 . 5 2 2 B 9 9 ASN CA C 58 53.558 55.717 -2.159 1
1 1111 . 5 2 2 B 9 9 ASN CB C 58 38.497 38.197 0.300 1
1 1112 . 5 2 2 B 9 9 ASN N N 58 117.190 115.699 1.491 1
1 1114 . 5 2 2 B 10 10 GLU H H 59 7.366 8.401 -1.035 1
1 1115 . 5 2 2 B 10 10 GLU HA H 59 3.641 4.059 -0.418 1
1 1120 . 5 2 2 B 10 10 GLU CA C 59 60.800 58.848 1.952 1
1 1121 . 5 2 2 B 10 10 GLU CB C 59 29.554 28.502 1.052 1
1 1123 . 5 2 2 B 10 10 GLU N N 59 122.354 118.043 4.311 1
1 1124 . 5 2 2 B 11 11 GLU H H 60 8.618 8.366 0.252 1
1 1125 . 5 2 2 B 11 11 GLU HA H 60 3.933 4.039 -0.106 1
1 1130 . 5 2 2 B 11 11 GLU CA C 60 59.139 59.419 -0.280 1
1 1131 . 5 2 2 B 11 11 GLU CB C 60 29.830 29.406 0.424 1
1 1133 . 5 2 2 B 11 11 GLU N N 60 120.391 120.454 -0.063 1
1 1134 . 5 2 2 B 12 12 ALA H H 61 8.280 7.443 0.837 1
1 1135 . 5 2 2 B 12 12 ALA HA H 61 4.180 4.030 0.150 1
1 1139 . 5 2 2 B 12 12 ALA CA C 61 55.205 55.060 0.145 1
1 1140 . 5 2 2 B 12 12 ALA CB C 61 20.695 18.391 2.304 1
1 1141 . 5 2 2 B 12 12 ALA N N 61 122.378 122.032 0.346 1
1 1142 . 5 2 2 B 13 13 VAL H H 62 7.773 7.662 0.111 1
1 1143 . 5 2 2 B 13 13 VAL HA H 62 3.974 3.122 0.852 1
1 1151 . 5 2 2 B 13 13 VAL CA C 62 66.199 66.725 -0.526 1
1 1152 . 5 2 2 B 13 13 VAL CB C 62 31.907 31.411 0.496 1
1 1155 . 5 2 2 B 13 13 VAL N N 62 116.653 118.827 -2.174 1
1 1156 . 5 2 2 B 14 14 SER H H 63 8.288 8.227 0.061 1
1 1157 . 5 2 2 B 14 14 SER HA H 63 4.620 3.920 0.700 1
1 1160 . 5 2 2 B 14 14 SER CA C 63 60.786 61.532 -0.746 1
1 1161 . 5 2 2 B 14 14 SER CB C 63 62.434 62.951 -0.517 1
1 1162 . 5 2 2 B 14 14 SER N N 63 115.328 115.320 0.008 1
1 1163 . 5 2 2 B 15 15 GLN H H 64 7.775 8.316 -0.541 1
1 1164 . 5 2 2 B 15 15 GLN HA H 64 4.190 4.153 0.037 1
1 1171 . 5 2 2 B 15 15 GLN CA C 64 57.492 57.777 -0.285 1
1 1172 . 5 2 2 B 15 15 GLN CB C 64 28.613 27.131 1.482 1
1 1174 . 5 2 2 B 15 15 GLN N N 64 119.350 118.264 1.086 1
1 1176 . 5 2 2 B 16 16 ILE H H 65 7.217 7.417 -0.200 1
1 1177 . 5 2 2 B 16 16 ILE HA H 65 3.788 3.926 -0.138 1
1 1186 . 5 2 2 B 16 16 ILE CA C 65 61.492 63.301 -1.809 1
1 1187 . 5 2 2 B 16 16 ILE CB C 65 37.320 38.881 -1.561 1
1 1191 . 5 2 2 B 16 16 ILE N N 65 117.427 119.335 -1.908 1
1 1192 . 5 2 2 B 17 17 PHE H H 66 8.370 7.676 0.694 1
1 1193 . 5 2 2 B 17 17 PHE HA H 66 4.407 4.944 -0.537 1
1 1200 . 5 2 2 B 17 17 PHE CA C 66 55.374 54.953 0.421 1
1 1201 . 5 2 2 B 17 17 PHE CB C 66 42.270 39.802 2.468 1
1 1205 . 5 2 2 B 17 17 PHE N N 66 117.389 115.443 1.946 1
1 1206 . 5 2 2 B 18 18 PRO HA H 67 4.784 4.757 0.027 1
1 1213 . 5 2 2 B 18 18 PRO CA C 67 62.669 62.332 0.337 1
1 1214 . 5 2 2 B 18 18 PRO CB C 67 32.378 33.351 -0.973 1
1 1217 . 5 2 2 B 19 19 ASP H H 68 9.127 8.985 0.142 1
1 1218 . 5 2 2 B 19 19 ASP HA H 68 4.261 4.421 -0.160 1
1 1221 . 5 2 2 B 19 19 ASP CA C 68 57.927 56.347 1.580 1
1 1222 . 5 2 2 B 19 19 ASP CB C 68 40.451 40.410 0.041 1
1 1223 . 5 2 2 B 19 19 ASP N N 68 123.618 123.076 0.542 1
1 1224 . 5 2 2 B 20 20 SER H H 69 8.624 8.117 0.507 1
1 1225 . 5 2 2 B 20 20 SER HA H 69 4.816 4.732 0.084 1
1 1226 . 5 2 2 B 20 20 SER N N 69 112.914 112.660 0.254 1
1 1227 . 5 2 2 B 21 21 VAL H H 70 7.380 7.663 -0.283 1
1 1228 . 5 2 2 B 21 21 VAL HA H 70 3.958 4.655 -0.697 1
1 1236 . 5 2 2 B 21 21 VAL CA C 70 64.316 60.463 3.853 1
1 1237 . 5 2 2 B 21 21 VAL CB C 70 32.378 35.895 -3.517 1
1 1240 . 5 2 2 B 21 21 VAL N N 70 123.280 121.238 2.042 1
1 1241 . 5 2 2 B 22 22 MET H H 71 7.638 8.682 -1.044 1
1 1242 . 5 2 2 B 22 22 MET HA H 71 4.266 4.543 -0.277 1
1 1248 . 5 2 2 B 22 22 MET CA C 71 55.844 54.081 1.763 1
1 1249 . 5 2 2 B 22 22 MET CB C 71 31.907 30.971 0.936 1
1 1251 . 5 2 2 B 22 22 MET N N 71 117.825 125.900 -8.075 1
1 1252 . 5 2 2 B 23 23 LEU H H 72 8.102 7.834 0.268 1
1 1253 . 5 2 2 B 23 23 LEU HA H 72 4.132 4.042 0.090 1
1 1263 . 5 2 2 B 23 23 LEU CA C 72 56.786 58.030 -1.244 1
1 1264 . 5 2 2 B 23 23 LEU CB C 72 42.270 41.939 0.331 1
1 1268 . 5 2 2 B 23 23 LEU N N 72 119.633 125.361 -5.728 1
1 1269 . 5 2 2 B 24 24 ALA H H 73 7.464 8.318 -0.854 1
1 1270 . 5 2 2 B 24 24 ALA HA H 73 4.197 4.212 -0.015 1
1 1274 . 5 2 2 B 24 24 ALA CA C 73 84.840 54.321 30.519 1
1 1275 . 5 2 2 B 24 24 ALA CB C 73 19.266 18.577 0.689 1
1 1276 . 5 2 2 B 24 24 ALA N N 73 120.682 121.070 -0.388 1
1 1277 . 5 2 2 B 25 25 VAL H H 74 7.668 7.956 -0.288 1
1 1278 . 5 2 2 B 25 25 VAL HA H 74 4.258 3.846 0.412 1
1 1286 . 5 2 2 B 25 25 VAL CA C 74 62.434 64.240 -1.806 1
1 1287 . 5 2 2 B 25 25 VAL CB C 74 31.672 31.622 0.050 1
1 1290 . 5 2 2 B 25 25 VAL N N 74 112.530 117.081 -4.551 1
1 1291 . 5 2 2 B 26 26 GLN H H 75 7.806 8.036 -0.230 1
1 1292 . 5 2 2 B 26 26 GLN HA H 75 4.308 4.612 -0.304 1
1 1299 . 5 2 2 B 26 26 GLN CA C 75 56.786 55.959 0.827 1
1 1300 . 5 2 2 B 26 26 GLN CB C 75 29.554 31.059 -1.505 1
1 1302 . 5 2 2 B 26 26 GLN N N 75 121.794 116.487 5.307 1
1 1304 . 5 2 2 B 27 27 GLU H H 76 8.340 8.078 0.262 1
1 1305 . 5 2 2 B 27 27 GLU HA H 76 4.349 4.422 -0.073 1
1 1310 . 5 2 2 B 27 27 GLU CA C 76 56.315 57.098 -0.783 1
1 1311 . 5 2 2 B 27 27 GLU CB C 76 30.495 30.743 -0.248 1
1 1313 . 5 2 2 B 27 27 GLU N N 76 120.410 121.262 -0.852 1
1 1314 . 5 2 2 B 28 28 GLY H H 77 8.295 8.789 -0.494 1
1 1315 . 5 2 2 B 28 28 GLY HA2 H 77 3.938 4.246 -0.308 1
1 1316 . 5 2 2 B 28 28 GLY HA3 H 77 4.190 4.251 -0.061 1
1 1317 . 5 2 2 B 28 28 GLY CA C 77 45.792 44.857 0.935 1
1 1318 . 5 2 2 B 28 28 GLY N N 77 109.255 111.512 -2.257 1
1 1319 . 5 2 2 B 29 29 ILE H H 78 7.889 8.711 -0.822 1
1 1320 . 5 2 2 B 29 29 ILE HA H 78 4.166 4.030 0.136 1
1 1330 . 5 2 2 B 29 29 ILE CA C 78 60.786 61.836 -1.050 1
1 1331 . 5 2 2 B 29 29 ILE CB C 78 39.203 37.832 1.371 1
1 1335 . 5 2 2 B 29 29 ILE N N 78 119.126 127.698 -8.572 1
1 1336 . 5 2 2 B 30 30 ASP H H 79 8.442 8.964 -0.522 1
1 1337 . 5 2 2 B 30 30 ASP HA H 79 4.577 4.713 -0.136 1
1 1340 . 5 2 2 B 30 30 ASP CA C 79 55.255 54.626 0.629 1
1 1341 . 5 2 2 B 30 30 ASP CB C 79 41.850 40.554 1.296 1
1 1342 . 5 2 2 B 30 30 ASP N N 79 123.665 128.113 -4.448 1
1 1343 . 5 2 2 B 31 31 LEU H H 80 8.141 7.759 0.382 1
1 1344 . 5 2 2 B 31 31 LEU HA H 80 4.292 4.164 0.128 1
1 1354 . 5 2 2 B 31 31 LEU CA C 80 55.205 57.273 -2.068 1
1 1355 . 5 2 2 B 31 31 LEU CB C 80 42.262 41.837 0.425 1
1 1359 . 5 2 2 B 31 31 LEU N N 80 122.359 121.717 0.642 1
1 1360 . 5 2 2 B 32 32 LEU H H 81 8.840 7.909 0.931 1
1 1361 . 5 2 2 B 32 32 LEU HA H 81 4.256 4.039 0.217 1
1 1371 . 5 2 2 B 32 32 LEU CA C 81 54.903 58.073 -3.170 1
1 1372 . 5 2 2 B 32 32 LEU CB C 81 42.497 41.507 0.990 1
1 1376 . 5 2 2 B 32 32 LEU N N 81 120.762 118.544 2.218 1
1 1377 . 5 2 2 B 33 33 THR H H 82 7.728 7.791 -0.063 1
1 1378 . 5 2 2 B 33 33 THR HA H 82 4.226 4.091 0.135 1
1 1383 . 5 2 2 B 33 33 THR CA C 82 61.220 63.889 -2.669 1
1 1384 . 5 2 2 B 33 33 THR CB C 82 69.494 68.763 0.731 1
1 1386 . 5 2 2 B 33 33 THR N N 82 113.606 113.590 0.016 1
1 1387 . 5 2 2 B 34 34 PHE H H 83 8.181 7.603 0.578 1
1 1388 . 5 2 2 B 34 34 PHE HA H 83 4.825 4.717 0.108 1
1 1395 . 5 2 2 B 34 34 PHE CA C 83 55.138 56.252 -1.114 1
1 1396 . 5 2 2 B 34 34 PHE CB C 83 39.203 39.159 0.044 1
1 1399 . 5 2 2 B 34 34 PHE N N 83 123.600 120.790 2.810 1
1 1400 . 5 2 2 B 35 35 PRO HA H 84 4.765 4.608 0.157 1
1 1407 . 5 2 2 B 35 35 PRO CA C 84 62.900 62.214 0.686 1
1 1408 . 5 2 2 B 35 35 PRO CB C 84 32.538 31.891 0.647 1
1 1411 . 5 2 2 B 36 36 PRO HA H 85 4.422 4.572 -0.150 1
1 1418 . 5 2 2 B 36 36 PRO CA C 85 62.434 62.346 0.088 1
1 1419 . 5 2 2 B 36 36 PRO CB C 85 32.143 32.482 -0.339 1
1 1422 . 5 2 2 B 37 37 ALA H H 86 8.370 8.286 0.084 1
1 1423 . 5 2 2 B 37 37 ALA HA H 86 4.429 4.597 -0.168 1
1 1427 . 5 2 2 B 37 37 ALA CA C 86 50.263 50.826 -0.563 1
1 1428 . 5 2 2 B 37 37 ALA CB C 86 19.972 17.834 2.138 1
1 1429 . 5 2 2 B 37 37 ALA N N 86 125.277 123.543 1.734 1
1 1430 . 5 2 2 B 38 38 PRO HA H 87 4.388 4.433 -0.045 1
1 1437 . 5 2 2 B 38 38 PRO CA C 87 63.140 64.043 -0.903 1
1 1438 . 5 2 2 B 38 38 PRO CB C 87 32.143 31.811 0.332 1
1 1441 . 5 2 2 B 39 39 GLY H H 88 8.503 8.554 -0.051 1
1 1442 . 5 2 2 B 39 39 GLY HA2 H 88 3.895 3.966 -0.071 1
1 1443 . 5 2 2 B 39 39 GLY HA3 H 88 3.981 3.966 0.015 1
1 1444 . 5 2 2 B 39 39 GLY CA C 88 74.671 45.119 29.552 1
1 1445 . 5 2 2 B 39 39 GLY N N 88 109.831 107.090 2.741 1
1 1446 . 5 2 2 B 40 40 SER H H 89 8.800 7.501 1.299 1
1 1447 . 5 2 2 B 40 40 SER HA H 89 4.748 4.468 0.280 1
1 1450 . 5 2 2 B 40 40 SER CA C 89 56.800 56.841 -0.041 1
1 1451 . 5 2 2 B 40 40 SER CB C 89 63.140 63.415 -0.275 1
1 1452 . 5 2 2 B 40 40 SER N N 89 116.937 117.215 -0.278 1
1 1453 . 5 2 2 B 41 41 PRO HA H 90 4.441 4.475 -0.034 1
1 1460 . 5 2 2 B 41 41 PRO CA C 90 63.140 64.132 -0.992 1
1 1461 . 5 2 2 B 41 41 PRO CB C 90 32.143 31.934 0.209 1
1 6 . 6 1 1 A 2 2 PRO HA H 1765 4.433 4.350 0.083 1
1 13 . 6 1 1 A 2 2 PRO CA C 1765 64.810 64.979 -0.169 1
1 14 . 6 1 1 A 2 2 PRO CB C 1765 31.907 32.098 -0.191 1
1 17 . 6 1 1 A 3 3 GLN H H 1766 8.442 7.760 0.682 1
1 18 . 6 1 1 A 3 3 GLN HA H 1766 3.889 4.115 -0.226 1
1 25 . 6 1 1 A 3 3 GLN CA C 1766 59.103 59.044 0.059 1
1 26 . 6 1 1 A 3 3 GLN CB C 1766 28.595 28.442 0.153 1
1 28 . 6 1 1 A 3 3 GLN N N 1766 115.685 117.542 -1.857 1
1 30 . 6 1 1 A 4 4 GLU H H 1767 8.161 7.852 0.309 1
1 31 . 6 1 1 A 4 4 GLU HA H 1767 4.197 4.091 0.106 1
1 36 . 6 1 1 A 4 4 GLU CA C 1767 57.727 59.432 -1.705 1
1 37 . 6 1 1 A 4 4 GLU CB C 1767 30.250 29.084 1.166 1
1 39 . 6 1 1 A 4 4 GLU N N 1767 121.941 119.982 1.959 1
1 40 . 6 1 1 A 5 5 SER H H 1768 8.291 8.474 -0.183 1
1 41 . 6 1 1 A 5 5 SER HA H 1768 4.280 4.130 0.150 1
1 44 . 6 1 1 A 5 5 SER CA C 1768 60.800 61.251 -0.451 1
1 45 . 6 1 1 A 5 5 SER CB C 1768 63.435 62.469 0.966 1
1 46 . 6 1 1 A 5 5 SER N N 1768 116.360 115.823 0.537 1
1 47 . 6 1 1 A 6 6 ARG H H 1769 7.935 7.642 0.293 1
1 48 . 6 1 1 A 6 6 ARG HA H 1769 4.120 3.992 0.128 1
1 52 . 6 1 1 A 6 6 ARG N N 1769 122.139 122.239 -0.100 1
1 53 . 6 1 1 A 7 7 ARG H H 1770 7.952 7.835 0.117 1
1 54 . 6 1 1 A 7 7 ARG HA H 1770 3.939 4.087 -0.148 1
1 61 . 6 1 1 A 7 7 ARG N N 1770 119.527 119.759 -0.232 1
1 62 . 6 1 1 A 8 8 LEU H H 1771 8.120 8.543 -0.423 1
1 63 . 6 1 1 A 8 8 LEU HA H 1771 4.188 4.027 0.161 1
1 73 . 6 1 1 A 8 8 LEU CA C 1771 56.786 57.623 -0.837 1
1 74 . 6 1 1 A 8 8 LEU CB C 1771 41.556 41.293 0.263 1
1 78 . 6 1 1 A 8 8 LEU N N 1771 120.237 120.086 0.151 1
1 79 . 6 1 1 A 9 9 SER H H 1772 8.860 7.688 1.172 1
1 80 . 6 1 1 A 9 9 SER HA H 1772 4.224 4.027 0.197 1
1 83 . 6 1 1 A 9 9 SER CA C 1772 61.728 62.518 -0.790 1
1 84 . 6 1 1 A 9 9 SER CB C 1772 62.198 63.023 -0.825 1
1 85 . 6 1 1 A 9 9 SER N N 1772 116.214 114.270 1.944 1
1 86 . 6 1 1 A 10 10 ILE H H 1773 8.133 7.161 0.972 1
1 87 . 6 1 1 A 10 10 ILE HA H 1773 3.510 3.525 -0.015 1
1 97 . 6 1 1 A 10 10 ILE CA C 1773 64.787 65.231 -0.444 1
1 98 . 6 1 1 A 10 10 ILE CB C 1773 38.732 37.511 1.221 1
1 102 . 6 1 1 A 10 10 ILE N N 1773 122.927 121.194 1.733 1
1 103 . 6 1 1 A 11 11 GLN H H 1774 8.250 7.909 0.341 1
1 104 . 6 1 1 A 11 11 GLN HA H 1774 3.980 4.035 -0.055 1
1 111 . 6 1 1 A 11 11 GLN CA C 1774 58.900 58.079 0.821 1
1 113 . 6 1 1 A 11 11 GLN N N 1774 118.893 120.007 -1.114 1
1 115 . 6 1 1 A 12 12 ARG H H 1775 8.272 7.568 0.704 1
1 116 . 6 1 1 A 12 12 ARG HA H 1775 4.168 4.089 0.079 1
1 123 . 6 1 1 A 12 12 ARG CA C 1775 57.730 59.470 -1.740 1
1 126 . 6 1 1 A 12 12 ARG N N 1775 119.560 119.143 0.417 1
1 127 . 6 1 1 A 13 13 CYS HA H 1776 4.176 4.187 -0.011 1
1 130 . 6 1 1 A 13 13 CYS CA C 1776 63.610 63.866 -0.256 1
1 131 . 6 1 1 A 13 13 CYS CB C 1776 26.965 27.183 -0.218 1
1 132 . 6 1 1 A 14 14 ILE H H 1777 8.597 7.881 0.716 1
1 133 . 6 1 1 A 14 14 ILE HA H 1777 3.735 3.747 -0.012 1
1 143 . 6 1 1 A 14 14 ILE CA C 1777 65.220 65.065 0.155 1
1 144 . 6 1 1 A 14 14 ILE CB C 1777 37.320 37.139 0.181 1
1 148 . 6 1 1 A 14 14 ILE N N 1777 120.174 121.736 -1.562 1
1 149 . 6 1 1 A 15 15 GLN H H 1778 8.105 8.155 -0.050 1
1 150 . 6 1 1 A 15 15 GLN HA H 1778 4.700 4.060 0.640 1
1 157 . 6 1 1 A 15 15 GLN CA C 1778 59.139 59.104 0.035 1
1 158 . 6 1 1 A 15 15 GLN CB C 1778 28.377 28.588 -0.211 1
1 160 . 6 1 1 A 15 15 GLN N N 1778 119.677 120.494 -0.817 1
1 162 . 6 1 1 A 16 16 SER H H 1779 8.115 7.618 0.497 1
1 163 . 6 1 1 A 16 16 SER HA H 1779 4.407 4.127 0.280 1
1 166 . 6 1 1 A 16 16 SER CA C 1779 61.963 62.465 -0.502 1
1 167 . 6 1 1 A 16 16 SER CB C 1779 63.425 63.112 0.313 1
1 168 . 6 1 1 A 16 16 SER N N 1779 116.542 116.401 0.141 1
1 169 . 6 1 1 A 17 17 LEU H H 1780 8.496 8.057 0.439 1
1 170 . 6 1 1 A 17 17 LEU HA H 1780 3.970 4.058 -0.088 1
1 180 . 6 1 1 A 17 17 LEU CA C 1780 58.286 58.444 -0.158 1
1 181 . 6 1 1 A 17 17 LEU CB C 1780 42.262 42.024 0.238 1
1 185 . 6 1 1 A 17 17 LEU N N 1780 124.870 123.032 1.838 1
1 186 . 6 1 1 A 18 18 VAL H H 1781 8.540 8.123 0.417 1
1 187 . 6 1 1 A 18 18 VAL HA H 1781 3.246 3.542 -0.296 1
1 195 . 6 1 1 A 18 18 VAL CA C 1781 66.905 66.894 0.011 1
1 196 . 6 1 1 A 18 18 VAL CB C 1781 31.672 31.652 0.020 1
1 199 . 6 1 1 A 18 18 VAL N N 1781 119.345 119.144 0.201 1
1 200 . 6 1 1 A 19 19 HIS H H 1782 7.944 8.362 -0.418 1
1 201 . 6 1 1 A 19 19 HIS HA H 1782 4.191 4.096 0.095 1
1 206 . 6 1 1 A 19 19 HIS CA C 1782 59.845 60.223 -0.378 1
1 207 . 6 1 1 A 19 19 HIS CB C 1782 26.965 29.823 -2.858 1
1 210 . 6 1 1 A 19 19 HIS N N 1782 116.521 119.011 -2.490 1
1 211 . 6 1 1 A 20 20 ALA H H 1783 9.830 8.506 1.324 1
1 212 . 6 1 1 A 20 20 ALA HA H 1783 4.367 4.073 0.294 1
1 216 . 6 1 1 A 20 20 ALA CA C 1783 55.191 55.026 0.165 1
1 217 . 6 1 1 A 20 20 ALA CB C 1783 20.695 18.351 2.344 1
1 218 . 6 1 1 A 20 20 ALA N N 1783 121.753 120.469 1.284 1
1 219 . 6 1 1 A 21 21 CYS H H 1784 7.913 7.614 0.299 1
1 220 . 6 1 1 A 21 21 CYS HA H 1784 4.236 4.388 -0.152 1
1 223 . 6 1 1 A 21 21 CYS CA C 1784 61.963 60.482 1.481 1
1 224 . 6 1 1 A 21 21 CYS CB C 1784 26.965 26.920 0.045 1
1 225 . 6 1 1 A 21 21 CYS N N 1784 112.237 115.315 -3.078 1
1 226 . 6 1 1 A 22 22 GLN H H 1785 7.320 8.117 -0.797 1
1 227 . 6 1 1 A 22 22 GLN HA H 1785 4.475 4.398 0.077 1
1 234 . 6 1 1 A 22 22 GLN CA C 1785 54.970 55.388 -0.418 1
1 235 . 6 1 1 A 22 22 GLN CB C 1785 30.731 29.761 0.970 1
1 237 . 6 1 1 A 22 22 GLN N N 1785 115.939 115.506 0.433 1
1 239 . 6 1 1 A 23 23 CYS H H 1786 7.268 7.590 -0.322 1
1 240 . 6 1 1 A 23 23 CYS HA H 1786 3.898 4.089 -0.191 1
1 243 . 6 1 1 A 23 23 CYS CA C 1786 60.800 60.169 0.631 1
1 244 . 6 1 1 A 23 23 CYS CB C 1786 28.848 28.647 0.201 1
1 245 . 6 1 1 A 23 23 CYS N N 1786 124.452 119.755 4.697 1
1 246 . 6 1 1 A 24 24 ARG H H 1787 8.854 8.912 -0.058 1
1 247 . 6 1 1 A 24 24 ARG HA H 1787 4.539 4.301 0.238 1
1 254 . 6 1 1 A 24 24 ARG CA C 1787 54.735 57.320 -2.585 1
1 255 . 6 1 1 A 24 24 ARG CB C 1787 30.250 30.474 -0.224 1
1 258 . 6 1 1 A 24 24 ARG N N 1787 130.523 127.411 3.112 1
1 259 . 6 1 1 A 25 25 ASN H H 1788 7.553 7.743 -0.190 1
1 260 . 6 1 1 A 25 25 ASN HA H 1788 4.799 4.968 -0.169 1
1 265 . 6 1 1 A 25 25 ASN CA C 1788 51.911 52.099 -0.188 1
1 266 . 6 1 1 A 25 25 ASN CB C 1788 39.203 40.368 -1.165 1
1 267 . 6 1 1 A 25 25 ASN N N 1788 119.613 118.315 1.298 1
1 269 . 6 1 1 A 26 26 ALA H H 1789 9.185 9.060 0.125 1
1 270 . 6 1 1 A 26 26 ALA HA H 1789 4.740 4.022 0.718 1
1 274 . 6 1 1 A 26 26 ALA CA C 1789 54.264 54.834 -0.570 1
1 275 . 6 1 1 A 26 26 ALA CB C 1789 18.796 18.445 0.351 1
1 276 . 6 1 1 A 26 26 ALA N N 1789 130.841 128.842 1.999 1
1 277 . 6 1 1 A 27 27 ASN H H 1790 8.520 7.693 0.827 1
1 278 . 6 1 1 A 27 27 ASN HA H 1790 4.761 4.782 -0.021 1
1 283 . 6 1 1 A 27 27 ASN CA C 1790 51.911 53.597 -1.686 1
1 284 . 6 1 1 A 27 27 ASN CB C 1790 38.967 39.064 -0.097 1
1 285 . 6 1 1 A 27 27 ASN N N 1790 113.345 113.865 -0.520 1
1 287 . 6 1 1 A 28 28 CYS H H 1791 7.224 7.288 -0.064 1
1 288 . 6 1 1 A 28 28 CYS HA H 1791 4.950 4.245 0.705 1
1 291 . 6 1 1 A 28 28 CYS CA C 1791 61.257 60.082 1.175 1
1 292 . 6 1 1 A 28 28 CYS CB C 1791 30.495 28.719 1.776 1
1 293 . 6 1 1 A 28 28 CYS N N 1791 123.463 120.682 2.781 1
1 294 . 6 1 1 A 29 29 SER H H 1792 8.811 8.898 -0.087 1
1 295 . 6 1 1 A 29 29 SER HA H 1792 4.449 4.375 0.074 1
1 298 . 6 1 1 A 29 29 SER CA C 1792 57.492 60.157 -2.665 1
1 299 . 6 1 1 A 29 29 SER CB C 1792 63.835 63.325 0.510 1
1 300 . 6 1 1 A 29 29 SER N N 1792 125.781 122.957 2.824 1
1 301 . 6 1 1 A 30 30 LEU H H 1793 7.851 7.331 0.520 1
1 302 . 6 1 1 A 30 30 LEU HA H 1793 4.507 4.432 0.075 1
1 312 . 6 1 1 A 30 30 LEU CA C 1793 53.558 53.156 0.402 1
1 313 . 6 1 1 A 30 30 LEU CB C 1793 42.270 43.142 -0.872 1
1 317 . 6 1 1 A 30 30 LEU N N 1793 125.656 124.292 1.364 1
1 318 . 6 1 1 A 31 31 PRO HA H 1794 4.363 4.266 0.097 1
1 325 . 6 1 1 A 31 31 PRO CA C 1794 64.787 65.297 -0.510 1
1 326 . 6 1 1 A 31 31 PRO CB C 1794 32.708 31.794 0.914 1
1 329 . 6 1 1 A 32 32 SER H H 1795 8.625 8.176 0.449 1
1 330 . 6 1 1 A 32 32 SER HA H 1795 4.309 4.195 0.114 1
1 332 . 6 1 1 A 32 32 SER CA C 1795 60.124 61.507 -1.383 1
1 333 . 6 1 1 A 32 32 SER CB C 1795 62.982 62.517 0.465 1
1 334 . 6 1 1 A 32 32 SER N N 1795 112.707 112.184 0.523 1
1 335 . 6 1 1 A 33 33 CYS H H 1796 6.679 8.061 -1.382 1
1 336 . 6 1 1 A 33 33 CYS HA H 1796 4.108 3.973 0.135 1
1 339 . 6 1 1 A 33 33 CYS CA C 1796 62.669 62.685 -0.016 1
1 340 . 6 1 1 A 33 33 CYS CB C 1796 30.495 26.578 3.917 1
1 341 . 6 1 1 A 33 33 CYS N N 1796 126.200 120.422 5.778 1
1 342 . 6 1 1 A 34 34 GLN H H 1797 7.870 8.316 -0.446 1
1 343 . 6 1 1 A 34 34 GLN HA H 1797 3.867 3.914 -0.047 1
1 350 . 6 1 1 A 34 34 GLN CA C 1797 59.140 59.470 -0.330 1
1 351 . 6 1 1 A 34 34 GLN CB C 1797 31.360 28.313 3.047 1
1 353 . 6 1 1 A 34 34 GLN N N 1797 115.529 119.682 -4.153 1
1 355 . 6 1 1 A 35 35 LYS H H 1798 8.340 7.791 0.549 1
1 356 . 6 1 1 A 35 35 LYS HA H 1798 4.240 4.045 0.195 1
1 365 . 6 1 1 A 35 35 LYS CA C 1798 58.904 59.371 -0.467 1
1 366 . 6 1 1 A 35 35 LYS CB C 1798 32.686 32.239 0.447 1
1 370 . 6 1 1 A 35 35 LYS N N 1798 117.144 119.470 -2.326 1
1 371 . 6 1 1 A 36 36 MET H H 1799 8.163 8.195 -0.032 1
1 372 . 6 1 1 A 36 36 MET HA H 1799 4.369 4.144 0.225 1
1 380 . 6 1 1 A 36 36 MET CA C 1799 56.474 58.403 -1.929 1
1 381 . 6 1 1 A 36 36 MET CB C 1799 31.110 31.954 -0.844 1
1 384 . 6 1 1 A 36 36 MET N N 1799 117.485 118.974 -1.489 1
1 385 . 6 1 1 A 37 37 LYS H H 1800 9.337 8.250 1.087 1
1 386 . 6 1 1 A 37 37 LYS HA H 1800 3.840 3.966 -0.126 1
1 395 . 6 1 1 A 37 37 LYS CA C 1800 61.200 59.986 1.214 1
1 396 . 6 1 1 A 37 37 LYS CB C 1800 32.691 32.305 0.386 1
1 400 . 6 1 1 A 37 37 LYS N N 1800 120.830 119.156 1.674 1
1 401 . 6 1 1 A 38 38 ARG H H 1801 7.399 7.857 -0.458 1
1 402 . 6 1 1 A 38 38 ARG HA H 1801 4.490 4.122 0.368 1
1 409 . 6 1 1 A 38 38 ARG CA C 1801 59.263 59.304 -0.041 1
1 410 . 6 1 1 A 38 38 ARG CB C 1801 31.179 29.772 1.407 1
1 413 . 6 1 1 A 38 38 ARG N N 1801 118.965 119.410 -0.445 1
1 414 . 6 1 1 A 39 39 VAL H H 1802 8.420 7.699 0.721 1
1 415 . 6 1 1 A 39 39 VAL HA H 1802 3.239 3.610 -0.371 1
1 423 . 6 1 1 A 39 39 VAL CA C 1802 67.140 66.266 0.874 1
1 424 . 6 1 1 A 39 39 VAL CB C 1802 31.685 31.607 0.078 1
1 427 . 6 1 1 A 39 39 VAL N N 1802 123.140 119.712 3.428 1
1 428 . 6 1 1 A 40 40 VAL H H 1803 8.195 8.126 0.069 1
1 429 . 6 1 1 A 40 40 VAL HA H 1803 3.403 3.618 -0.215 1
1 437 . 6 1 1 A 40 40 VAL CA C 1803 66.905 66.444 0.461 1
1 438 . 6 1 1 A 40 40 VAL CB C 1803 31.907 31.235 0.672 1
1 441 . 6 1 1 A 40 40 VAL N N 1803 118.716 120.446 -1.730 1
1 442 . 6 1 1 A 41 41 GLN H H 1804 8.310 8.197 0.113 1
1 443 . 6 1 1 A 41 41 GLN HA H 1804 3.916 4.090 -0.174 1
1 450 . 6 1 1 A 41 41 GLN CA C 1804 58.591 58.696 -0.105 1
1 451 . 6 1 1 A 41 41 GLN CB C 1804 28.561 28.708 -0.147 1
1 453 . 6 1 1 A 41 41 GLN N N 1804 119.193 118.716 0.477 1
1 455 . 6 1 1 A 42 42 HIS H H 1805 8.152 7.861 0.291 1
1 456 . 6 1 1 A 42 42 HIS HA H 1805 4.222 4.320 -0.098 1
1 461 . 6 1 1 A 42 42 HIS CA C 1805 59.139 59.475 -0.336 1
1 462 . 6 1 1 A 42 42 HIS CB C 1805 27.201 30.285 -3.084 1
1 465 . 6 1 1 A 42 42 HIS N N 1805 118.579 121.941 -3.362 1
1 466 . 6 1 1 A 43 43 THR H H 1806 7.997 8.492 -0.495 1
1 467 . 6 1 1 A 43 43 THR HA H 1806 3.888 4.071 -0.183 1
1 473 . 6 1 1 A 43 43 THR CA C 1806 65.728 65.410 0.318 1
1 474 . 6 1 1 A 43 43 THR CB C 1806 69.023 69.025 -0.002 1
1 476 . 6 1 1 A 43 43 THR N N 1806 113.599 113.822 -0.223 1
1 477 . 6 1 1 A 44 44 LYS H H 1807 7.381 8.689 -1.308 1
1 478 . 6 1 1 A 44 44 LYS HA H 1807 4.190 4.219 -0.029 1
1 487 . 6 1 1 A 44 44 LYS CA C 1807 58.668 58.103 0.565 1
1 488 . 6 1 1 A 44 44 LYS CB C 1807 32.731 31.279 1.452 1
1 492 . 6 1 1 A 44 44 LYS N N 1807 120.270 118.965 1.305 1
1 493 . 6 1 1 A 45 45 GLY H H 1808 7.610 7.860 -0.250 1
1 494 . 6 1 1 A 45 45 GLY HA2 H 1808 3.610 4.077 -0.467 1
1 495 . 6 1 1 A 45 45 GLY HA3 H 1808 4.380 4.093 0.287 1
1 496 . 6 1 1 A 45 45 GLY CA C 1808 44.851 45.280 -0.429 1
1 497 . 6 1 1 A 45 45 GLY N N 1808 125.480 106.726 18.754 1
1 498 . 6 1 1 A 46 46 CYS H H 1809 6.898 7.565 -0.667 1
1 499 . 6 1 1 A 46 46 CYS HA H 1809 3.957 4.177 -0.220 1
1 502 . 6 1 1 A 46 46 CYS CA C 1809 60.551 59.647 0.904 1
1 503 . 6 1 1 A 46 46 CYS CB C 1809 30.260 28.847 1.413 1
1 504 . 6 1 1 A 46 46 CYS N N 1809 123.457 120.106 3.351 1
1 505 . 6 1 1 A 47 47 LYS HA H 1810 4.471 4.193 0.278 1
1 514 . 6 1 1 A 47 47 LYS CA C 1810 56.800 58.246 -1.446 1
1 515 . 6 1 1 A 47 47 LYS CB C 1810 33.840 32.209 1.631 1
1 518 . 6 1 1 A 48 48 ARG H H 1811 8.575 7.343 1.232 1
1 519 . 6 1 1 A 48 48 ARG HA H 1811 4.366 4.581 -0.215 1
1 526 . 6 1 1 A 48 48 ARG CA C 1811 57.256 57.663 -0.407 1
1 527 . 6 1 1 A 48 48 ARG CB C 1811 32.143 32.721 -0.578 1
1 530 . 6 1 1 A 48 48 ARG N N 1811 122.731 119.098 3.633 1
1 531 . 6 1 1 A 49 49 LYS H H 1812 8.663 7.698 0.965 1
1 532 . 6 1 1 A 49 49 LYS HA H 1812 4.521 4.379 0.142 1
1 539 . 6 1 1 A 49 49 LYS CA C 1812 57.256 57.617 -0.361 1
1 540 . 6 1 1 A 49 49 LYS CB C 1812 32.378 32.170 0.208 1
1 543 . 6 1 1 A 49 49 LYS N N 1812 118.409 119.207 -0.798 1
1 544 . 6 1 1 A 50 50 THR HA H 1813 4.710 3.942 0.768 1
1 549 . 6 1 1 A 50 50 THR CA C 1813 63.846 65.952 -2.106 1
1 550 . 6 1 1 A 50 50 THR CB C 1813 68.317 68.195 0.122 1
1 552 . 6 1 1 A 51 51 ASN HA H 1814 4.676 4.377 0.299 1
1 557 . 6 1 1 A 51 51 ASN CA C 1814 82.908 56.339 26.569 1
1 558 . 6 1 1 A 51 51 ASN CB C 1814 38.732 38.529 0.203 1
1 560 . 6 1 1 A 52 52 GLY H H 1815 7.879 7.626 0.253 1
1 561 . 6 1 1 A 52 52 GLY HA2 H 1815 4.300 3.944 0.356 1
1 562 . 6 1 1 A 52 52 GLY HA3 H 1815 3.831 3.947 -0.116 1
1 563 . 6 1 1 A 52 52 GLY CA C 1815 45.557 45.338 0.219 1
1 564 . 6 1 1 A 52 52 GLY N N 1815 129.890 106.013 23.877 1
1 565 . 6 1 1 A 53 53 GLY H H 1816 7.765 7.555 0.210 1
1 566 . 6 1 1 A 53 53 GLY HA2 H 1816 3.885 3.971 -0.086 1
1 567 . 6 1 1 A 53 53 GLY HA3 H 1816 3.985 3.974 0.011 1
1 568 . 6 1 1 A 53 53 GLY CA C 1816 45.792 45.333 0.459 1
1 569 . 6 1 1 A 53 53 GLY N N 1816 128.949 107.579 21.370 1
1 570 . 6 1 1 A 54 54 CYS H H 1817 8.800 8.077 0.723 1
1 571 . 6 1 1 A 54 54 CYS HA H 1817 4.821 4.597 0.224 1
1 574 . 6 1 1 A 54 54 CYS CA C 1817 55.138 57.511 -2.373 1
1 575 . 6 1 1 A 54 54 CYS CB C 1817 30.966 28.904 2.062 1
1 576 . 6 1 1 A 54 54 CYS N N 1817 122.429 119.388 3.041 1
1 577 . 6 1 1 A 55 55 PRO HA H 1818 4.330 4.328 0.002 1
1 584 . 6 1 1 A 55 55 PRO CA C 1818 64.787 65.178 -0.391 1
1 585 . 6 1 1 A 55 55 PRO CB C 1818 32.613 32.078 0.535 1
1 588 . 6 1 1 A 56 56 VAL H H 1819 7.750 7.334 0.416 1
1 589 . 6 1 1 A 56 56 VAL HA H 1819 3.884 3.577 0.307 1
1 597 . 6 1 1 A 56 56 VAL CA C 1819 65.728 66.258 -0.530 1
1 598 . 6 1 1 A 56 56 VAL CB C 1819 32.849 31.287 1.562 1
1 601 . 6 1 1 A 56 56 VAL N N 1819 121.605 115.693 5.912 1
1 602 . 6 1 1 A 57 57 CYS H H 1820 8.884 8.081 0.803 1
1 603 . 6 1 1 A 57 57 CYS HA H 1820 4.106 3.870 0.236 1
1 606 . 6 1 1 A 57 57 CYS CA C 1820 65.728 63.750 1.978 1
1 607 . 6 1 1 A 57 57 CYS CB C 1820 30.250 27.006 3.244 1
1 608 . 6 1 1 A 57 57 CYS N N 1820 124.260 117.502 6.758 1
1 609 . 6 1 1 A 58 58 LYS H H 1821 8.133 7.951 0.182 1
1 610 . 6 1 1 A 58 58 LYS HA H 1821 3.942 3.876 0.066 1
1 619 . 6 1 1 A 58 58 LYS CA C 1821 59.610 59.881 -0.271 1
1 620 . 6 1 1 A 58 58 LYS CB C 1821 32.849 32.204 0.645 1
1 624 . 6 1 1 A 58 58 LYS N N 1821 117.129 119.612 -2.483 1
1 625 . 6 1 1 A 59 59 GLN H H 1822 7.318 7.762 -0.444 1
1 626 . 6 1 1 A 59 59 GLN HA H 1822 4.357 4.057 0.300 1
1 632 . 6 1 1 A 59 59 GLN N N 1822 117.943 119.091 -1.148 1
1 633 . 6 1 1 A 60 60 LEU H H 1823 8.667 7.489 1.178 1
1 634 . 6 1 1 A 60 60 LEU HA H 1823 4.950 3.988 0.962 1
1 647 . 6 1 1 A 60 60 LEU N N 1823 120.670 121.206 -0.536 1
1 648 . 6 1 1 A 61 61 ILE H H 1824 8.780 8.182 0.598 1
1 649 . 6 1 1 A 61 61 ILE HA H 1824 3.614 3.631 -0.017 1
1 659 . 6 1 1 A 61 61 ILE CA C 1824 64.787 65.345 -0.558 1
1 660 . 6 1 1 A 61 61 ILE CB C 1824 37.320 37.219 0.101 1
1 664 . 6 1 1 A 61 61 ILE N N 1824 119.837 119.482 0.355 1
1 665 . 6 1 1 A 62 62 ALA H H 1825 7.675 8.423 -0.748 1
1 666 . 6 1 1 A 62 62 ALA HA H 1825 4.112 3.980 0.132 1
1 670 . 6 1 1 A 62 62 ALA CA C 1825 55.374 55.086 0.288 1
1 671 . 6 1 1 A 62 62 ALA CB C 1825 18.560 18.094 0.466 1
1 672 . 6 1 1 A 62 62 ALA N N 1825 122.779 122.290 0.489 1
1 673 . 6 1 1 A 63 63 LEU H H 1826 7.983 7.658 0.325 1
1 674 . 6 1 1 A 63 63 LEU HA H 1826 4.114 4.084 0.030 1
1 684 . 6 1 1 A 63 63 LEU CA C 1826 58.334 57.956 0.378 1
1 685 . 6 1 1 A 63 63 LEU CB C 1826 42.821 41.274 1.547 1
1 689 . 6 1 1 A 63 63 LEU N N 1826 118.291 119.236 -0.945 1
1 690 . 6 1 1 A 64 64 CYS H H 1827 8.663 8.005 0.658 1
1 691 . 6 1 1 A 64 64 CYS HA H 1827 4.350 4.222 0.128 1
1 694 . 6 1 1 A 64 64 CYS CA C 1827 64.800 62.933 1.867 1
1 695 . 6 1 1 A 64 64 CYS CB C 1827 26.495 25.955 0.540 1
1 696 . 6 1 1 A 64 64 CYS N N 1827 118.409 117.711 0.698 1
1 697 . 6 1 1 A 65 65 CYS H H 1828 8.672 8.564 0.108 1
1 698 . 6 1 1 A 65 65 CYS HA H 1828 4.152 4.124 0.028 1
1 701 . 6 1 1 A 65 65 CYS CA C 1828 63.547 63.742 -0.195 1
1 702 . 6 1 1 A 65 65 CYS CB C 1828 26.495 27.748 -1.253 1
1 703 . 6 1 1 A 65 65 CYS N N 1828 118.996 119.367 -0.371 1
1 704 . 6 1 1 A 66 66 TYR H H 1829 7.837 8.433 -0.596 1
1 705 . 6 1 1 A 66 66 TYR HA H 1829 4.199 4.243 -0.044 1
1 712 . 6 1 1 A 66 66 TYR CA C 1829 61.220 61.784 -0.564 1
1 713 . 6 1 1 A 66 66 TYR CB C 1829 38.261 38.573 -0.312 1
1 716 . 6 1 1 A 66 66 TYR N N 1829 120.650 122.776 -2.126 1
1 717 . 6 1 1 A 67 67 HIS H H 1830 8.323 8.452 -0.129 1
1 718 . 6 1 1 A 67 67 HIS HA H 1830 4.341 4.392 -0.051 1
1 723 . 6 1 1 A 67 67 HIS CA C 1830 58.668 60.402 -1.734 1
1 724 . 6 1 1 A 67 67 HIS CB C 1830 27.907 29.931 -2.024 1
1 727 . 6 1 1 A 67 67 HIS N N 1830 117.149 119.446 -2.297 1
1 728 . 6 1 1 A 68 68 ALA H H 1831 8.693 8.587 0.106 1
1 729 . 6 1 1 A 68 68 ALA HA H 1831 4.250 4.057 0.193 1
1 733 . 6 1 1 A 68 68 ALA CA C 1831 55.205 55.401 -0.196 1
1 734 . 6 1 1 A 68 68 ALA CB C 1831 20.695 18.449 2.246 1
1 735 . 6 1 1 A 68 68 ALA N N 1831 121.519 120.878 0.641 1
1 736 . 6 1 1 A 69 69 LYS H H 1832 7.126 8.155 -1.029 1
1 737 . 6 1 1 A 69 69 LYS HA H 1832 3.737 4.070 -0.333 1
1 746 . 6 1 1 A 69 69 LYS CA C 1832 57.962 59.562 -1.600 1
1 747 . 6 1 1 A 69 69 LYS CB C 1832 32.613 31.627 0.986 1
1 751 . 6 1 1 A 69 69 LYS N N 1832 114.376 119.211 -4.835 1
1 752 . 6 1 1 A 70 70 HIS H H 1833 6.884 7.326 -0.442 1
1 753 . 6 1 1 A 70 70 HIS HA H 1833 4.711 4.435 0.276 1
1 758 . 6 1 1 A 70 70 HIS CA C 1833 54.970 57.596 -2.626 1
1 759 . 6 1 1 A 70 70 HIS CB C 1833 31.201 30.627 0.574 1
1 762 . 6 1 1 A 70 70 HIS N N 1833 113.369 114.497 -1.128 1
1 763 . 6 1 1 A 71 71 CYS H H 1834 6.969 7.436 -0.467 1
1 764 . 6 1 1 A 71 71 CYS HA H 1834 4.210 4.267 -0.057 1
1 767 . 6 1 1 A 71 71 CYS CA C 1834 60.800 59.320 1.480 1
1 768 . 6 1 1 A 71 71 CYS CB C 1834 30.250 28.593 1.657 1
1 769 . 6 1 1 A 71 71 CYS N N 1834 123.813 118.744 5.069 1
1 770 . 6 1 1 A 72 72 GLN H H 1835 9.101 8.541 0.560 1
1 771 . 6 1 1 A 72 72 GLN HA H 1835 4.646 4.729 -0.083 1
1 778 . 6 1 1 A 72 72 GLN CA C 1835 54.735 55.353 -0.618 1
1 779 . 6 1 1 A 72 72 GLN CB C 1835 29.319 30.377 -1.058 1
1 781 . 6 1 1 A 72 72 GLN N N 1835 128.430 121.828 6.602 1
1 783 . 6 1 1 A 73 73 GLU H H 1836 8.331 7.064 1.267 1
1 784 . 6 1 1 A 73 73 GLU HA H 1836 4.365 4.364 0.001 1
1 788 . 6 1 1 A 73 73 GLU CA C 1836 55.374 56.182 -0.808 1
1 789 . 6 1 1 A 73 73 GLU CB C 1836 30.731 30.232 0.499 1
1 791 . 6 1 1 A 73 73 GLU N N 1836 123.251 121.393 1.858 1
1 792 . 6 1 1 A 74 74 ASN HA H 1837 4.512 4.578 -0.066 1
1 797 . 6 1 1 A 74 74 ASN CA C 1837 54.970 55.471 -0.501 1
1 798 . 6 1 1 A 74 74 ASN CB C 1837 38.732 38.996 -0.264 1
1 800 . 6 1 1 A 75 75 LYS H H 1838 8.779 8.046 0.733 1
1 801 . 6 1 1 A 75 75 LYS HA H 1838 4.424 4.547 -0.123 1
1 810 . 6 1 1 A 75 75 LYS CA C 1838 54.735 55.063 -0.328 1
1 811 . 6 1 1 A 75 75 LYS CB C 1838 30.966 32.890 -1.924 1
1 815 . 6 1 1 A 75 75 LYS N N 1838 121.350 115.920 5.430 1
1 816 . 6 1 1 A 76 76 CYS H H 1839 7.590 7.430 0.160 1
1 817 . 6 1 1 A 76 76 CYS HA H 1839 4.361 4.456 -0.095 1
1 820 . 6 1 1 A 76 76 CYS CA C 1839 57.256 57.651 -0.395 1
1 821 . 6 1 1 A 76 76 CYS CB C 1839 30.731 28.132 2.599 1
1 822 . 6 1 1 A 76 76 CYS N N 1839 124.209 121.138 3.071 1
1 823 . 6 1 1 A 77 77 PRO HA H 1840 4.651 4.368 0.283 1
1 830 . 6 1 1 A 77 77 PRO CA C 1840 62.669 64.344 -1.675 1
1 831 . 6 1 1 A 77 77 PRO CB C 1840 32.849 31.947 0.902 1
1 834 . 6 1 1 A 78 78 VAL H H 1841 8.962 7.738 1.224 1
1 835 . 6 1 1 A 78 78 VAL HA H 1841 4.199 4.170 0.029 1
1 843 . 6 1 1 A 78 78 VAL CA C 1841 61.257 60.940 0.317 1
1 844 . 6 1 1 A 78 78 VAL CB C 1841 31.672 32.052 -0.380 1
1 847 . 6 1 1 A 78 78 VAL N N 1841 128.606 119.537 9.069 1
1 848 . 6 1 1 A 79 79 PRO HA H 1842 3.936 4.134 -0.198 1
1 855 . 6 1 1 A 79 79 PRO CA C 1842 63.846 65.336 -1.490 1
1 856 . 6 1 1 A 79 79 PRO CB C 1842 30.731 31.621 -0.890 1
1 859 . 6 1 1 A 80 80 PHE HA H 1843 4.255 4.205 0.050 1
1 866 . 6 1 1 A 80 80 PHE CA C 1843 59.374 60.467 -1.093 1
1 867 . 6 1 1 A 80 80 PHE CB C 1843 37.791 37.922 -0.131 1
1 870 . 6 1 1 A 81 81 CYS H H 1844 7.660 8.271 -0.611 1
1 871 . 6 1 1 A 81 81 CYS HA H 1844 3.997 4.204 -0.207 1
1 874 . 6 1 1 A 81 81 CYS CA C 1844 64.552 62.554 1.998 1
1 875 . 6 1 1 A 81 81 CYS CB C 1844 30.495 27.282 3.213 1
1 876 . 6 1 1 A 81 81 CYS N N 1844 124.104 118.407 5.697 1
1 877 . 6 1 1 A 82 82 LEU H H 1845 8.170 8.366 -0.196 1
1 878 . 6 1 1 A 82 82 LEU HA H 1845 3.988 3.961 0.027 1
1 888 . 6 1 1 A 82 82 LEU CA C 1845 57.962 58.166 -0.204 1
1 889 . 6 1 1 A 82 82 LEU CB C 1845 41.321 41.391 -0.070 1
1 893 . 6 1 1 A 82 82 LEU N N 1845 115.950 120.899 -4.949 1
1 894 . 6 1 1 A 83 83 ASN H H 1846 7.826 8.350 -0.524 1
1 895 . 6 1 1 A 83 83 ASN HA H 1846 4.447 4.456 -0.009 1
1 900 . 6 1 1 A 83 83 ASN CA C 1846 56.800 56.987 -0.187 1
1 901 . 6 1 1 A 83 83 ASN CB C 1846 38.967 39.099 -0.132 1
1 902 . 6 1 1 A 83 83 ASN N N 1846 116.117 117.995 -1.878 1
1 904 . 6 1 1 A 84 84 ILE H H 1847 8.607 8.283 0.324 1
1 905 . 6 1 1 A 84 84 ILE HA H 1847 3.718 3.580 0.138 1
1 915 . 6 1 1 A 84 84 ILE CA C 1847 64.787 65.621 -0.834 1
1 916 . 6 1 1 A 84 84 ILE CB C 1847 38.497 37.894 0.603 1
1 920 . 6 1 1 A 84 84 ILE N N 1847 121.553 119.543 2.010 1
1 921 . 6 1 1 A 85 85 LYS H H 1848 8.855 8.101 0.754 1
1 922 . 6 1 1 A 85 85 LYS HA H 1848 3.859 3.956 -0.097 1
1 931 . 6 1 1 A 85 85 LYS CA C 1848 60.551 59.373 1.178 1
1 932 . 6 1 1 A 85 85 LYS CB C 1848 32.613 32.384 0.229 1
1 936 . 6 1 1 A 85 85 LYS N N 1848 119.992 118.729 1.263 1
1 937 . 6 1 1 A 86 86 HIS H H 1849 8.100 7.961 0.139 1
1 938 . 6 1 1 A 86 86 HIS HA H 1849 4.411 4.259 0.152 1
1 943 . 6 1 1 A 86 86 HIS CA C 1849 58.433 60.178 -1.745 1
1 944 . 6 1 1 A 86 86 HIS CB C 1849 30.495 29.827 0.668 1
1 947 . 6 1 1 A 86 86 HIS N N 1849 117.237 119.655 -2.418 1
1 948 . 6 1 1 A 87 87 LYS H H 1850 7.685 8.268 -0.583 1
1 949 . 6 1 1 A 87 87 LYS HA H 1850 4.128 3.893 0.235 1
1 958 . 6 1 1 A 87 87 LYS CA C 1850 57.727 59.124 -1.397 1
1 959 . 6 1 1 A 87 87 LYS CB C 1850 32.378 32.397 -0.019 1
1 963 . 6 1 1 A 87 87 LYS N N 1850 119.118 117.911 1.207 1
1 964 . 6 1 1 A 88 88 LEU H H 1851 8.230 8.408 -0.178 1
1 965 . 6 1 1 A 88 88 LEU HA H 1851 4.174 4.094 0.080 1
1 975 . 6 1 1 A 88 88 LEU CA C 1851 56.800 57.888 -1.088 1
1 976 . 6 1 1 A 88 88 LEU CB C 1851 42.262 41.370 0.892 1
1 980 . 6 1 1 A 88 88 LEU N N 1851 119.305 120.114 -0.809 1
1 981 . 6 1 1 A 89 89 ARG H H 1852 7.765 8.118 -0.353 1
1 982 . 6 1 1 A 89 89 ARG HA H 1852 4.245 4.068 0.177 1
1 989 . 6 1 1 A 89 89 ARG CA C 1852 56.550 59.072 -2.522 1
1 990 . 6 1 1 A 89 89 ARG CB C 1852 30.260 29.570 0.690 1
1 993 . 6 1 1 A 89 89 ARG N N 1852 118.302 118.389 -0.087 1
1 994 . 6 1 1 A 90 90 GLN H H 1853 7.851 7.974 -0.123 1
1 995 . 6 1 1 A 90 90 GLN HA H 1853 4.262 4.201 0.061 1
1 1002 . 6 1 1 A 90 90 GLN CA C 1853 55.609 56.372 -0.763 1
1 1003 . 6 1 1 A 90 90 GLN CB C 1853 29.554 28.011 1.543 1
1 1005 . 6 1 1 A 90 90 GLN N N 1853 119.450 114.663 4.787 1
1 1007 . 6 1 1 A 91 91 GLN H H 1854 8.710 7.512 1.198 1
1 1008 . 6 1 1 A 91 91 GLN HA H 1854 4.317 4.355 -0.038 1
1 1015 . 6 1 1 A 91 91 GLN CA C 1854 55.609 55.835 -0.226 1
1 1016 . 6 1 1 A 91 91 GLN CB C 1854 29.554 29.516 0.038 1
1 1018 . 6 1 1 A 91 91 GLN N N 1854 120.675 120.775 -0.100 1
1 1038 . 6 2 2 B 2 2 HIS HA H 51 4.636 4.624 0.012 1
1 1043 . 6 2 2 B 2 2 HIS CA C 51 55.844 54.469 1.375 1
1 1044 . 6 2 2 B 2 2 HIS CB C 51 30.495 27.381 3.114 1
1 1047 . 6 2 2 B 3 3 MET H H 52 8.230 8.282 -0.052 1
1 1048 . 6 2 2 B 3 3 MET HA H 52 4.430 5.038 -0.608 1
1 1053 . 6 2 2 B 3 3 MET CA C 52 54.903 53.538 1.365 1
1 1054 . 6 2 2 B 3 3 MET CB C 52 33.840 35.852 -2.012 1
1 1056 . 6 2 2 B 3 3 MET N N 52 121.881 117.965 3.916 1
1 1057 . 6 2 2 B 4 4 ALA H H 53 8.269 8.767 -0.498 1
1 1058 . 6 2 2 B 4 4 ALA HA H 53 4.586 4.486 0.100 1
1 1062 . 6 2 2 B 4 4 ALA CA C 53 51.255 50.582 0.673 1
1 1063 . 6 2 2 B 4 4 ALA CB C 53 18.796 18.398 0.398 1
1 1064 . 6 2 2 B 4 4 ALA N N 53 126.758 123.727 3.031 1
1 1065 . 6 2 2 B 5 5 PRO HA H 54 4.705 4.414 0.291 1
1 1072 . 6 2 2 B 5 5 PRO CA C 54 61.257 65.126 -3.869 1
1 1073 . 6 2 2 B 5 5 PRO CB C 54 30.966 31.964 -0.998 1
1 1076 . 6 2 2 B 6 6 GLU H H 55 8.468 7.586 0.882 1
1 1077 . 6 2 2 B 6 6 GLU HA H 55 4.150 4.651 -0.501 1
1 1082 . 6 2 2 B 6 6 GLU CA C 55 56.550 55.767 0.783 1
1 1083 . 6 2 2 B 6 6 GLU CB C 55 30.495 31.789 -1.294 1
1 1085 . 6 2 2 B 6 6 GLU N N 55 121.693 112.411 9.282 1
1 1086 . 6 2 2 B 7 7 ASP H H 56 8.574 8.635 -0.061 1
1 1087 . 6 2 2 B 7 7 ASP HA H 56 5.200 5.056 0.144 1
1 1090 . 6 2 2 B 7 7 ASP CA C 56 51.255 50.952 0.303 1
1 1091 . 6 2 2 B 7 7 ASP CB C 56 42.262 42.597 -0.335 1
1 1092 . 6 2 2 B 7 7 ASP N N 56 120.873 120.825 0.048 1
1 1093 . 6 2 2 B 8 8 PRO HA H 57 4.465 4.386 0.079 1
1 1100 . 6 2 2 B 8 8 PRO CA C 57 63.610 65.424 -1.814 1
1 1101 . 6 2 2 B 8 8 PRO CB C 57 32.378 31.956 0.422 1
1 1104 . 6 2 2 B 9 9 ASN H H 58 8.301 8.192 0.109 1
1 1105 . 6 2 2 B 9 9 ASN HA H 58 4.809 4.517 0.292 1
1 1110 . 6 2 2 B 9 9 ASN CA C 58 53.558 55.546 -1.988 1
1 1111 . 6 2 2 B 9 9 ASN CB C 58 38.497 37.782 0.715 1
1 1112 . 6 2 2 B 9 9 ASN N N 58 117.190 115.087 2.103 1
1 1114 . 6 2 2 B 10 10 GLU H H 59 7.366 8.587 -1.221 1
1 1115 . 6 2 2 B 10 10 GLU HA H 59 3.641 4.094 -0.453 1
1 1120 . 6 2 2 B 10 10 GLU CA C 59 60.800 58.724 2.076 1
1 1121 . 6 2 2 B 10 10 GLU CB C 59 29.554 28.459 1.095 1
1 1123 . 6 2 2 B 10 10 GLU N N 59 122.354 118.322 4.032 1
1 1124 . 6 2 2 B 11 11 GLU H H 60 8.618 8.347 0.271 1
1 1125 . 6 2 2 B 11 11 GLU HA H 60 3.933 4.067 -0.134 1
1 1130 . 6 2 2 B 11 11 GLU CA C 60 59.139 59.428 -0.289 1
1 1131 . 6 2 2 B 11 11 GLU CB C 60 29.830 29.402 0.428 1
1 1133 . 6 2 2 B 11 11 GLU N N 60 120.391 120.566 -0.175 1
1 1134 . 6 2 2 B 12 12 ALA H H 61 8.280 7.518 0.762 1
1 1135 . 6 2 2 B 12 12 ALA HA H 61 4.180 4.062 0.118 1
1 1139 . 6 2 2 B 12 12 ALA CA C 61 55.205 55.048 0.157 1
1 1140 . 6 2 2 B 12 12 ALA CB C 61 20.695 18.468 2.227 1
1 1141 . 6 2 2 B 12 12 ALA N N 61 122.378 121.754 0.624 1
1 1142 . 6 2 2 B 13 13 VAL H H 62 7.773 8.028 -0.255 1
1 1143 . 6 2 2 B 13 13 VAL HA H 62 3.974 3.648 0.326 1
1 1151 . 6 2 2 B 13 13 VAL CA C 62 66.199 66.852 -0.653 1
1 1152 . 6 2 2 B 13 13 VAL CB C 62 31.907 31.523 0.384 1
1 1155 . 6 2 2 B 13 13 VAL N N 62 116.653 118.638 -1.985 1
1 1156 . 6 2 2 B 14 14 SER H H 63 8.288 8.163 0.125 1
1 1157 . 6 2 2 B 14 14 SER HA H 63 4.620 4.142 0.478 1
1 1160 . 6 2 2 B 14 14 SER CA C 63 60.786 62.557 -1.771 1
1 1161 . 6 2 2 B 14 14 SER CB C 63 62.434 62.848 -0.414 1
1 1162 . 6 2 2 B 14 14 SER N N 63 115.328 115.978 -0.650 1
1 1163 . 6 2 2 B 15 15 GLN H H 64 7.775 8.411 -0.636 1
1 1164 . 6 2 2 B 15 15 GLN HA H 64 4.190 4.130 0.060 1
1 1171 . 6 2 2 B 15 15 GLN CA C 64 57.492 58.307 -0.815 1
1 1172 . 6 2 2 B 15 15 GLN CB C 64 28.613 27.632 0.981 1
1 1174 . 6 2 2 B 15 15 GLN N N 64 119.350 118.639 0.711 1
1 1176 . 6 2 2 B 16 16 ILE H H 65 7.217 7.513 -0.296 1
1 1177 . 6 2 2 B 16 16 ILE HA H 65 3.788 3.761 0.027 1
1 1186 . 6 2 2 B 16 16 ILE CA C 65 61.492 63.295 -1.803 1
1 1187 . 6 2 2 B 16 16 ILE CB C 65 37.320 39.177 -1.857 1
1 1191 . 6 2 2 B 16 16 ILE N N 65 117.427 119.507 -2.080 1
1 1192 . 6 2 2 B 17 17 PHE H H 66 8.370 8.349 0.021 1
1 1193 . 6 2 2 B 17 17 PHE HA H 66 4.407 5.018 -0.611 1
1 1200 . 6 2 2 B 17 17 PHE CA C 66 55.374 54.842 0.532 1
1 1201 . 6 2 2 B 17 17 PHE CB C 66 42.270 39.199 3.071 1
1 1205 . 6 2 2 B 17 17 PHE N N 66 117.389 118.367 -0.978 1
1 1206 . 6 2 2 B 18 18 PRO HA H 67 4.784 4.742 0.042 1
1 1213 . 6 2 2 B 18 18 PRO CA C 67 62.669 62.673 -0.004 1
1 1214 . 6 2 2 B 18 18 PRO CB C 67 32.378 33.320 -0.942 1
1 1217 . 6 2 2 B 19 19 ASP H H 68 9.127 9.095 0.032 1
1 1218 . 6 2 2 B 19 19 ASP HA H 68 4.261 4.459 -0.198 1
1 1221 . 6 2 2 B 19 19 ASP CA C 68 57.927 56.865 1.062 1
1 1222 . 6 2 2 B 19 19 ASP CB C 68 40.451 40.404 0.047 1
1 1223 . 6 2 2 B 19 19 ASP N N 68 123.618 123.209 0.409 1
1 1224 . 6 2 2 B 20 20 SER H H 69 8.624 7.695 0.929 1
1 1225 . 6 2 2 B 20 20 SER HA H 69 4.816 4.404 0.412 1
1 1226 . 6 2 2 B 20 20 SER N N 69 112.914 111.664 1.250 1
1 1227 . 6 2 2 B 21 21 VAL H H 70 7.380 7.733 -0.353 1
1 1228 . 6 2 2 B 21 21 VAL HA H 70 3.958 4.723 -0.765 1
1 1236 . 6 2 2 B 21 21 VAL CA C 70 64.316 59.011 5.305 1
1 1237 . 6 2 2 B 21 21 VAL CB C 70 32.378 35.746 -3.368 1
1 1240 . 6 2 2 B 21 21 VAL N N 70 123.280 116.505 6.775 1
1 1241 . 6 2 2 B 22 22 MET H H 71 7.638 8.623 -0.985 1
1 1242 . 6 2 2 B 22 22 MET HA H 71 4.266 4.763 -0.497 1
1 1248 . 6 2 2 B 22 22 MET CA C 71 55.844 54.063 1.781 1
1 1249 . 6 2 2 B 22 22 MET CB C 71 31.907 31.191 0.716 1
1 1251 . 6 2 2 B 22 22 MET N N 71 117.825 123.077 -5.252 1
1 1252 . 6 2 2 B 23 23 LEU H H 72 8.102 7.626 0.476 1
1 1253 . 6 2 2 B 23 23 LEU HA H 72 4.132 3.956 0.176 1
1 1263 . 6 2 2 B 23 23 LEU CA C 72 56.786 58.028 -1.242 1
1 1264 . 6 2 2 B 23 23 LEU CB C 72 42.270 41.752 0.518 1
1 1268 . 6 2 2 B 23 23 LEU N N 72 119.633 126.199 -6.566 1
1 1269 . 6 2 2 B 24 24 ALA H H 73 7.464 7.742 -0.278 1
1 1270 . 6 2 2 B 24 24 ALA HA H 73 4.197 3.935 0.262 1
1 1274 . 6 2 2 B 24 24 ALA CA C 73 84.840 53.923 30.917 1
1 1275 . 6 2 2 B 24 24 ALA CB C 73 19.266 18.037 1.229 1
1 1276 . 6 2 2 B 24 24 ALA N N 73 120.682 120.203 0.479 1
1 1277 . 6 2 2 B 25 25 VAL H H 74 7.668 7.779 -0.111 1
1 1278 . 6 2 2 B 25 25 VAL HA H 74 4.258 3.846 0.412 1
1 1286 . 6 2 2 B 25 25 VAL CA C 74 62.434 64.232 -1.798 1
1 1287 . 6 2 2 B 25 25 VAL CB C 74 31.672 31.612 0.060 1
1 1290 . 6 2 2 B 25 25 VAL N N 74 112.530 117.091 -4.561 1
1 1291 . 6 2 2 B 26 26 GLN H H 75 7.806 7.964 -0.158 1
1 1292 . 6 2 2 B 26 26 GLN HA H 75 4.308 4.527 -0.219 1
1 1299 . 6 2 2 B 26 26 GLN CA C 75 56.786 55.230 1.556 1
1 1300 . 6 2 2 B 26 26 GLN CB C 75 29.554 30.044 -0.490 1
1 1302 . 6 2 2 B 26 26 GLN N N 75 121.794 115.972 5.822 1
1 1304 . 6 2 2 B 27 27 GLU H H 76 8.340 7.170 1.170 1
1 1305 . 6 2 2 B 27 27 GLU HA H 76 4.349 4.855 -0.506 1
1 1310 . 6 2 2 B 27 27 GLU CA C 76 56.315 54.760 1.555 1
1 1311 . 6 2 2 B 27 27 GLU CB C 76 30.495 33.197 -2.702 1
1 1313 . 6 2 2 B 27 27 GLU N N 76 120.410 120.401 0.009 1
1 1314 . 6 2 2 B 28 28 GLY H H 77 8.295 8.695 -0.400 1
1 1315 . 6 2 2 B 28 28 GLY HA2 H 77 3.938 4.237 -0.299 1
1 1316 . 6 2 2 B 28 28 GLY HA3 H 77 4.190 4.256 -0.066 1
1 1317 . 6 2 2 B 28 28 GLY CA C 77 45.792 43.665 2.127 1
1 1318 . 6 2 2 B 28 28 GLY N N 77 109.255 111.493 -2.238 1
1 1319 . 6 2 2 B 29 29 ILE H H 78 7.889 9.378 -1.489 1
1 1320 . 6 2 2 B 29 29 ILE HA H 78 4.166 4.601 -0.435 1
1 1330 . 6 2 2 B 29 29 ILE CA C 78 60.786 60.185 0.601 1
1 1331 . 6 2 2 B 29 29 ILE CB C 78 39.203 40.042 -0.839 1
1 1335 . 6 2 2 B 29 29 ILE N N 78 119.126 122.870 -3.744 1
1 1336 . 6 2 2 B 30 30 ASP H H 79 8.442 9.119 -0.677 1
1 1337 . 6 2 2 B 30 30 ASP HA H 79 4.577 4.785 -0.208 1
1 1340 . 6 2 2 B 30 30 ASP CA C 79 55.255 53.511 1.744 1
1 1341 . 6 2 2 B 30 30 ASP CB C 79 41.850 38.795 3.055 1
1 1342 . 6 2 2 B 30 30 ASP N N 79 123.665 128.934 -5.269 1
1 1343 . 6 2 2 B 31 31 LEU H H 80 8.141 7.685 0.456 1
1 1344 . 6 2 2 B 31 31 LEU HA H 80 4.292 4.058 0.234 1
1 1354 . 6 2 2 B 31 31 LEU CA C 80 55.205 57.462 -2.257 1
1 1355 . 6 2 2 B 31 31 LEU CB C 80 42.262 42.023 0.239 1
1 1359 . 6 2 2 B 31 31 LEU N N 80 122.359 122.180 0.179 1
1 1360 . 6 2 2 B 32 32 LEU H H 81 8.840 8.062 0.778 1
1 1361 . 6 2 2 B 32 32 LEU HA H 81 4.256 4.230 0.026 1
1 1371 . 6 2 2 B 32 32 LEU CA C 81 54.903 57.833 -2.930 1
1 1372 . 6 2 2 B 32 32 LEU CB C 81 42.497 41.886 0.611 1
1 1376 . 6 2 2 B 32 32 LEU N N 81 120.762 119.651 1.111 1
1 1377 . 6 2 2 B 33 33 THR H H 82 7.728 8.356 -0.628 1
1 1378 . 6 2 2 B 33 33 THR HA H 82 4.226 4.106 0.120 1
1 1383 . 6 2 2 B 33 33 THR CA C 82 61.220 64.190 -2.970 1
1 1384 . 6 2 2 B 33 33 THR CB C 82 69.494 68.722 0.772 1
1 1386 . 6 2 2 B 33 33 THR N N 82 113.606 112.998 0.608 1
1 1387 . 6 2 2 B 34 34 PHE H H 83 8.181 7.639 0.542 1
1 1388 . 6 2 2 B 34 34 PHE HA H 83 4.825 4.620 0.205 1
1 1395 . 6 2 2 B 34 34 PHE CA C 83 55.138 55.990 -0.852 1
1 1396 . 6 2 2 B 34 34 PHE CB C 83 39.203 38.713 0.490 1
1 1399 . 6 2 2 B 34 34 PHE N N 83 123.600 118.559 5.041 1
1 1400 . 6 2 2 B 35 35 PRO HA H 84 4.765 4.411 0.354 1
1 1407 . 6 2 2 B 35 35 PRO CA C 84 62.900 62.230 0.670 1
1 1408 . 6 2 2 B 35 35 PRO CB C 84 32.538 32.400 0.138 1
1 1411 . 6 2 2 B 36 36 PRO HA H 85 4.422 4.215 0.207 1
1 1418 . 6 2 2 B 36 36 PRO CA C 85 62.434 63.868 -1.434 1
1 1419 . 6 2 2 B 36 36 PRO CB C 85 32.143 31.634 0.509 1
1 1422 . 6 2 2 B 37 37 ALA H H 86 8.370 7.108 1.262 1
1 1423 . 6 2 2 B 37 37 ALA HA H 86 4.429 4.802 -0.373 1
1 1427 . 6 2 2 B 37 37 ALA CA C 86 50.263 49.919 0.344 1
1 1428 . 6 2 2 B 37 37 ALA CB C 86 19.972 21.616 -1.644 1
1 1429 . 6 2 2 B 37 37 ALA N N 86 125.277 119.307 5.970 1
1 1430 . 6 2 2 B 38 38 PRO HA H 87 4.388 4.527 -0.139 1
1 1437 . 6 2 2 B 38 38 PRO CA C 87 63.140 63.917 -0.777 1
1 1438 . 6 2 2 B 38 38 PRO CB C 87 32.143 31.946 0.197 1
1 1441 . 6 2 2 B 39 39 GLY H H 88 8.503 7.920 0.583 1
1 1442 . 6 2 2 B 39 39 GLY HA2 H 88 3.895 4.095 -0.200 1
1 1443 . 6 2 2 B 39 39 GLY HA3 H 88 3.981 4.100 -0.119 1
1 1444 . 6 2 2 B 39 39 GLY CA C 88 74.671 44.296 30.375 1
1 1445 . 6 2 2 B 39 39 GLY N N 88 109.831 105.852 3.979 1
1 1446 . 6 2 2 B 40 40 SER H H 89 8.800 8.366 0.434 1
1 1447 . 6 2 2 B 40 40 SER HA H 89 4.748 4.455 0.293 1
1 1450 . 6 2 2 B 40 40 SER CA C 89 56.800 57.182 -0.382 1
1 1451 . 6 2 2 B 40 40 SER CB C 89 63.140 63.433 -0.293 1
1 1452 . 6 2 2 B 40 40 SER N N 89 116.937 115.929 1.008 1
1 1453 . 6 2 2 B 41 41 PRO HA H 90 4.441 4.466 -0.025 1
1 1460 . 6 2 2 B 41 41 PRO CA C 90 63.140 64.004 -0.864 1
1 1461 . 6 2 2 B 41 41 PRO CB C 90 32.143 31.915 0.228 1
1 6 . 7 1 1 A 2 2 PRO HA H 1765 4.433 4.251 0.182 1
1 13 . 7 1 1 A 2 2 PRO CA C 1765 64.810 65.332 -0.522 1
1 14 . 7 1 1 A 2 2 PRO CB C 1765 31.907 31.926 -0.019 1
1 17 . 7 1 1 A 3 3 GLN H H 1766 8.442 8.818 -0.376 1
1 18 . 7 1 1 A 3 3 GLN HA H 1766 3.889 4.038 -0.149 1
1 25 . 7 1 1 A 3 3 GLN CA C 1766 59.103 60.157 -1.054 1
1 26 . 7 1 1 A 3 3 GLN CB C 1766 28.595 27.641 0.954 1
1 28 . 7 1 1 A 3 3 GLN N N 1766 115.685 115.433 0.252 1
1 30 . 7 1 1 A 4 4 GLU H H 1767 8.161 8.150 0.011 1
1 31 . 7 1 1 A 4 4 GLU HA H 1767 4.197 4.088 0.109 1
1 36 . 7 1 1 A 4 4 GLU CA C 1767 57.727 59.251 -1.524 1
1 37 . 7 1 1 A 4 4 GLU CB C 1767 30.250 29.542 0.708 1
1 39 . 7 1 1 A 4 4 GLU N N 1767 121.941 120.280 1.661 1
1 40 . 7 1 1 A 5 5 SER H H 1768 8.291 8.382 -0.091 1
1 41 . 7 1 1 A 5 5 SER HA H 1768 4.280 4.150 0.130 1
1 44 . 7 1 1 A 5 5 SER CA C 1768 60.800 61.361 -0.561 1
1 45 . 7 1 1 A 5 5 SER CB C 1768 63.435 62.401 1.034 1
1 46 . 7 1 1 A 5 5 SER N N 1768 116.360 115.920 0.440 1
1 47 . 7 1 1 A 6 6 ARG H H 1769 7.935 7.830 0.105 1
1 48 . 7 1 1 A 6 6 ARG HA H 1769 4.120 3.987 0.133 1
1 52 . 7 1 1 A 6 6 ARG N N 1769 122.139 122.273 -0.134 1
1 53 . 7 1 1 A 7 7 ARG H H 1770 7.952 7.631 0.321 1
1 54 . 7 1 1 A 7 7 ARG HA H 1770 3.939 3.973 -0.034 1
1 61 . 7 1 1 A 7 7 ARG N N 1770 119.527 119.361 0.166 1
1 62 . 7 1 1 A 8 8 LEU H H 1771 8.120 8.419 -0.299 1
1 63 . 7 1 1 A 8 8 LEU HA H 1771 4.188 3.990 0.198 1
1 73 . 7 1 1 A 8 8 LEU CA C 1771 56.786 57.741 -0.955 1
1 74 . 7 1 1 A 8 8 LEU CB C 1771 41.556 41.712 -0.156 1
1 78 . 7 1 1 A 8 8 LEU N N 1771 120.237 120.655 -0.418 1
1 79 . 7 1 1 A 9 9 SER H H 1772 8.860 8.019 0.841 1
1 80 . 7 1 1 A 9 9 SER HA H 1772 4.224 4.008 0.216 1
1 83 . 7 1 1 A 9 9 SER CA C 1772 61.728 62.248 -0.520 1
1 84 . 7 1 1 A 9 9 SER CB C 1772 62.198 63.078 -0.880 1
1 85 . 7 1 1 A 9 9 SER N N 1772 116.214 113.570 2.644 1
1 86 . 7 1 1 A 10 10 ILE H H 1773 8.133 7.679 0.454 1
1 87 . 7 1 1 A 10 10 ILE HA H 1773 3.510 3.527 -0.017 1
1 97 . 7 1 1 A 10 10 ILE CA C 1773 64.787 65.146 -0.359 1
1 98 . 7 1 1 A 10 10 ILE CB C 1773 38.732 37.447 1.285 1
1 102 . 7 1 1 A 10 10 ILE N N 1773 122.927 121.334 1.593 1
1 103 . 7 1 1 A 11 11 GLN H H 1774 8.250 8.163 0.087 1
1 104 . 7 1 1 A 11 11 GLN HA H 1774 3.980 4.051 -0.071 1
1 111 . 7 1 1 A 11 11 GLN CA C 1774 58.900 58.362 0.538 1
1 113 . 7 1 1 A 11 11 GLN N N 1774 118.893 120.030 -1.137 1
1 115 . 7 1 1 A 12 12 ARG H H 1775 8.272 7.956 0.316 1
1 116 . 7 1 1 A 12 12 ARG HA H 1775 4.168 4.072 0.096 1
1 123 . 7 1 1 A 12 12 ARG CA C 1775 57.730 59.596 -1.866 1
1 126 . 7 1 1 A 12 12 ARG N N 1775 119.560 119.150 0.410 1
1 127 . 7 1 1 A 13 13 CYS HA H 1776 4.176 4.134 0.042 1
1 130 . 7 1 1 A 13 13 CYS CA C 1776 63.610 62.195 1.415 1
1 131 . 7 1 1 A 13 13 CYS CB C 1776 26.965 27.295 -0.330 1
1 132 . 7 1 1 A 14 14 ILE H H 1777 8.597 8.137 0.460 1
1 133 . 7 1 1 A 14 14 ILE HA H 1777 3.735 3.716 0.019 1
1 143 . 7 1 1 A 14 14 ILE CA C 1777 65.220 65.012 0.208 1
1 144 . 7 1 1 A 14 14 ILE CB C 1777 37.320 36.968 0.352 1
1 148 . 7 1 1 A 14 14 ILE N N 1777 120.174 120.584 -0.410 1
1 149 . 7 1 1 A 15 15 GLN H H 1778 8.105 7.988 0.117 1
1 150 . 7 1 1 A 15 15 GLN HA H 1778 4.700 4.033 0.667 1
1 157 . 7 1 1 A 15 15 GLN CA C 1778 59.139 59.025 0.114 1
1 158 . 7 1 1 A 15 15 GLN CB C 1778 28.377 28.734 -0.357 1
1 160 . 7 1 1 A 15 15 GLN N N 1778 119.677 120.336 -0.659 1
1 162 . 7 1 1 A 16 16 SER H H 1779 8.115 7.724 0.391 1
1 163 . 7 1 1 A 16 16 SER HA H 1779 4.407 4.124 0.283 1
1 166 . 7 1 1 A 16 16 SER CA C 1779 61.963 62.601 -0.638 1
1 167 . 7 1 1 A 16 16 SER CB C 1779 63.425 62.962 0.463 1
1 168 . 7 1 1 A 16 16 SER N N 1779 116.542 116.422 0.120 1
1 169 . 7 1 1 A 17 17 LEU H H 1780 8.496 8.035 0.461 1
1 170 . 7 1 1 A 17 17 LEU HA H 1780 3.970 4.057 -0.087 1
1 180 . 7 1 1 A 17 17 LEU CA C 1780 58.286 58.432 -0.146 1
1 181 . 7 1 1 A 17 17 LEU CB C 1780 42.262 41.965 0.297 1
1 185 . 7 1 1 A 17 17 LEU N N 1780 124.870 123.124 1.746 1
1 186 . 7 1 1 A 18 18 VAL H H 1781 8.540 8.068 0.472 1
1 187 . 7 1 1 A 18 18 VAL HA H 1781 3.246 3.515 -0.269 1
1 195 . 7 1 1 A 18 18 VAL CA C 1781 66.905 66.892 0.013 1
1 196 . 7 1 1 A 18 18 VAL CB C 1781 31.672 31.665 0.007 1
1 199 . 7 1 1 A 18 18 VAL N N 1781 119.345 119.118 0.227 1
1 200 . 7 1 1 A 19 19 HIS H H 1782 7.944 8.272 -0.328 1
1 201 . 7 1 1 A 19 19 HIS HA H 1782 4.191 4.091 0.100 1
1 206 . 7 1 1 A 19 19 HIS CA C 1782 59.845 60.258 -0.413 1
1 207 . 7 1 1 A 19 19 HIS CB C 1782 26.965 29.729 -2.764 1
1 210 . 7 1 1 A 19 19 HIS N N 1782 116.521 118.989 -2.468 1
1 211 . 7 1 1 A 20 20 ALA H H 1783 9.830 8.519 1.311 1
1 212 . 7 1 1 A 20 20 ALA HA H 1783 4.367 4.080 0.287 1
1 216 . 7 1 1 A 20 20 ALA CA C 1783 55.191 54.967 0.224 1
1 217 . 7 1 1 A 20 20 ALA CB C 1783 20.695 18.318 2.377 1
1 218 . 7 1 1 A 20 20 ALA N N 1783 121.753 120.466 1.287 1
1 219 . 7 1 1 A 21 21 CYS H H 1784 7.913 7.607 0.306 1
1 220 . 7 1 1 A 21 21 CYS HA H 1784 4.236 4.361 -0.125 1
1 223 . 7 1 1 A 21 21 CYS CA C 1784 61.963 60.398 1.565 1
1 224 . 7 1 1 A 21 21 CYS CB C 1784 26.965 26.881 0.084 1
1 225 . 7 1 1 A 21 21 CYS N N 1784 112.237 115.271 -3.034 1
1 226 . 7 1 1 A 22 22 GLN H H 1785 7.320 7.954 -0.634 1
1 227 . 7 1 1 A 22 22 GLN HA H 1785 4.475 4.388 0.087 1
1 234 . 7 1 1 A 22 22 GLN CA C 1785 54.970 55.167 -0.197 1
1 235 . 7 1 1 A 22 22 GLN CB C 1785 30.731 29.480 1.251 1
1 237 . 7 1 1 A 22 22 GLN N N 1785 115.939 115.403 0.536 1
1 239 . 7 1 1 A 23 23 CYS H H 1786 7.268 7.249 0.019 1
1 240 . 7 1 1 A 23 23 CYS HA H 1786 3.898 4.119 -0.221 1
1 243 . 7 1 1 A 23 23 CYS CA C 1786 60.800 59.712 1.088 1
1 244 . 7 1 1 A 23 23 CYS CB C 1786 28.848 28.459 0.389 1
1 245 . 7 1 1 A 23 23 CYS N N 1786 124.452 120.071 4.381 1
1 246 . 7 1 1 A 24 24 ARG H H 1787 8.854 8.594 0.260 1
1 247 . 7 1 1 A 24 24 ARG HA H 1787 4.539 4.065 0.474 1
1 254 . 7 1 1 A 24 24 ARG CA C 1787 54.735 57.711 -2.976 1
1 255 . 7 1 1 A 24 24 ARG CB C 1787 30.250 29.603 0.647 1
1 258 . 7 1 1 A 24 24 ARG N N 1787 130.523 125.489 5.034 1
1 259 . 7 1 1 A 25 25 ASN H H 1788 7.553 7.724 -0.171 1
1 260 . 7 1 1 A 25 25 ASN HA H 1788 4.799 5.025 -0.226 1
1 265 . 7 1 1 A 25 25 ASN CA C 1788 51.911 51.760 0.151 1
1 266 . 7 1 1 A 25 25 ASN CB C 1788 39.203 39.897 -0.694 1
1 267 . 7 1 1 A 25 25 ASN N N 1788 119.613 118.849 0.764 1
1 269 . 7 1 1 A 26 26 ALA H H 1789 9.185 9.007 0.178 1
1 270 . 7 1 1 A 26 26 ALA HA H 1789 4.740 4.048 0.692 1
1 274 . 7 1 1 A 26 26 ALA CA C 1789 54.264 54.710 -0.446 1
1 275 . 7 1 1 A 26 26 ALA CB C 1789 18.796 18.459 0.337 1
1 276 . 7 1 1 A 26 26 ALA N N 1789 130.841 128.705 2.136 1
1 277 . 7 1 1 A 27 27 ASN H H 1790 8.520 7.886 0.634 1
1 278 . 7 1 1 A 27 27 ASN HA H 1790 4.761 4.870 -0.109 1
1 283 . 7 1 1 A 27 27 ASN CA C 1790 51.911 53.319 -1.408 1
1 284 . 7 1 1 A 27 27 ASN CB C 1790 38.967 39.359 -0.392 1
1 285 . 7 1 1 A 27 27 ASN N N 1790 113.345 113.839 -0.494 1
1 287 . 7 1 1 A 28 28 CYS H H 1791 7.224 7.386 -0.162 1
1 288 . 7 1 1 A 28 28 CYS HA H 1791 4.950 4.282 0.668 1
1 291 . 7 1 1 A 28 28 CYS CA C 1791 61.257 60.113 1.144 1
1 292 . 7 1 1 A 28 28 CYS CB C 1791 30.495 28.881 1.614 1
1 293 . 7 1 1 A 28 28 CYS N N 1791 123.463 121.088 2.375 1
1 294 . 7 1 1 A 29 29 SER H H 1792 8.811 8.690 0.121 1
1 295 . 7 1 1 A 29 29 SER HA H 1792 4.449 4.761 -0.312 1
1 298 . 7 1 1 A 29 29 SER CA C 1792 57.492 57.912 -0.420 1
1 299 . 7 1 1 A 29 29 SER CB C 1792 63.835 63.362 0.473 1
1 300 . 7 1 1 A 29 29 SER N N 1792 125.781 122.024 3.757 1
1 301 . 7 1 1 A 30 30 LEU H H 1793 7.851 7.419 0.432 1
1 302 . 7 1 1 A 30 30 LEU HA H 1793 4.507 4.417 0.090 1
1 312 . 7 1 1 A 30 30 LEU CA C 1793 53.558 53.080 0.478 1
1 313 . 7 1 1 A 30 30 LEU CB C 1793 42.270 43.193 -0.923 1
1 317 . 7 1 1 A 30 30 LEU N N 1793 125.656 124.932 0.724 1
1 318 . 7 1 1 A 31 31 PRO HA H 1794 4.363 4.259 0.104 1
1 325 . 7 1 1 A 31 31 PRO CA C 1794 64.787 65.291 -0.504 1
1 326 . 7 1 1 A 31 31 PRO CB C 1794 32.708 31.711 0.997 1
1 329 . 7 1 1 A 32 32 SER H H 1795 8.625 8.214 0.411 1
1 330 . 7 1 1 A 32 32 SER HA H 1795 4.309 4.183 0.126 1
1 332 . 7 1 1 A 32 32 SER CA C 1795 60.124 61.541 -1.417 1
1 333 . 7 1 1 A 32 32 SER CB C 1795 62.982 62.329 0.653 1
1 334 . 7 1 1 A 32 32 SER N N 1795 112.707 112.134 0.573 1
1 335 . 7 1 1 A 33 33 CYS H H 1796 6.679 7.996 -1.317 1
1 336 . 7 1 1 A 33 33 CYS HA H 1796 4.108 4.010 0.098 1
1 339 . 7 1 1 A 33 33 CYS CA C 1796 62.669 62.761 -0.092 1
1 340 . 7 1 1 A 33 33 CYS CB C 1796 30.495 26.630 3.865 1
1 341 . 7 1 1 A 33 33 CYS N N 1796 126.200 119.728 6.472 1
1 342 . 7 1 1 A 34 34 GLN H H 1797 7.870 8.404 -0.534 1
1 343 . 7 1 1 A 34 34 GLN HA H 1797 3.867 3.913 -0.046 1
1 350 . 7 1 1 A 34 34 GLN CA C 1797 59.140 59.404 -0.264 1
1 351 . 7 1 1 A 34 34 GLN CB C 1797 31.360 28.320 3.040 1
1 353 . 7 1 1 A 34 34 GLN N N 1797 115.529 119.907 -4.378 1
1 355 . 7 1 1 A 35 35 LYS H H 1798 8.340 8.115 0.225 1
1 356 . 7 1 1 A 35 35 LYS HA H 1798 4.240 4.036 0.204 1
1 365 . 7 1 1 A 35 35 LYS CA C 1798 58.904 59.038 -0.134 1
1 366 . 7 1 1 A 35 35 LYS CB C 1798 32.686 31.842 0.844 1
1 370 . 7 1 1 A 35 35 LYS N N 1798 117.144 119.519 -2.375 1
1 371 . 7 1 1 A 36 36 MET H H 1799 8.163 8.122 0.041 1
1 372 . 7 1 1 A 36 36 MET HA H 1799 4.369 4.178 0.191 1
1 380 . 7 1 1 A 36 36 MET CA C 1799 56.474 58.398 -1.924 1
1 381 . 7 1 1 A 36 36 MET CB C 1799 31.110 31.965 -0.855 1
1 384 . 7 1 1 A 36 36 MET N N 1799 117.485 119.290 -1.805 1
1 385 . 7 1 1 A 37 37 LYS H H 1800 9.337 8.199 1.138 1
1 386 . 7 1 1 A 37 37 LYS HA H 1800 3.840 3.967 -0.127 1
1 395 . 7 1 1 A 37 37 LYS CA C 1800 61.200 60.059 1.141 1
1 396 . 7 1 1 A 37 37 LYS CB C 1800 32.691 32.285 0.406 1
1 400 . 7 1 1 A 37 37 LYS N N 1800 120.830 118.658 2.172 1
1 401 . 7 1 1 A 38 38 ARG H H 1801 7.399 7.923 -0.524 1
1 402 . 7 1 1 A 38 38 ARG HA H 1801 4.490 4.032 0.458 1
1 409 . 7 1 1 A 38 38 ARG CA C 1801 59.263 59.434 -0.171 1
1 410 . 7 1 1 A 38 38 ARG CB C 1801 31.179 30.041 1.138 1
1 413 . 7 1 1 A 38 38 ARG N N 1801 118.965 119.405 -0.440 1
1 414 . 7 1 1 A 39 39 VAL H H 1802 8.420 7.782 0.638 1
1 415 . 7 1 1 A 39 39 VAL HA H 1802 3.239 3.819 -0.580 1
1 423 . 7 1 1 A 39 39 VAL CA C 1802 67.140 65.513 1.627 1
1 424 . 7 1 1 A 39 39 VAL CB C 1802 31.685 31.429 0.256 1
1 427 . 7 1 1 A 39 39 VAL N N 1802 123.140 115.748 7.392 1
1 428 . 7 1 1 A 40 40 VAL H H 1803 8.195 7.942 0.253 1
1 429 . 7 1 1 A 40 40 VAL HA H 1803 3.403 3.602 -0.199 1
1 437 . 7 1 1 A 40 40 VAL CA C 1803 66.905 66.777 0.128 1
1 438 . 7 1 1 A 40 40 VAL CB C 1803 31.907 31.438 0.469 1
1 441 . 7 1 1 A 40 40 VAL N N 1803 118.716 121.257 -2.541 1
1 442 . 7 1 1 A 41 41 GLN H H 1804 8.310 8.293 0.017 1
1 443 . 7 1 1 A 41 41 GLN HA H 1804 3.916 4.092 -0.176 1
1 450 . 7 1 1 A 41 41 GLN CA C 1804 58.591 58.702 -0.111 1
1 451 . 7 1 1 A 41 41 GLN CB C 1804 28.561 28.774 -0.213 1
1 453 . 7 1 1 A 41 41 GLN N N 1804 119.193 118.356 0.837 1
1 455 . 7 1 1 A 42 42 HIS H H 1805 8.152 7.890 0.262 1
1 456 . 7 1 1 A 42 42 HIS HA H 1805 4.222 4.331 -0.109 1
1 461 . 7 1 1 A 42 42 HIS CA C 1805 59.139 59.421 -0.282 1
1 462 . 7 1 1 A 42 42 HIS CB C 1805 27.201 30.289 -3.088 1
1 465 . 7 1 1 A 42 42 HIS N N 1805 118.579 121.966 -3.387 1
1 466 . 7 1 1 A 43 43 THR H H 1806 7.997 8.581 -0.584 1
1 467 . 7 1 1 A 43 43 THR HA H 1806 3.888 4.076 -0.188 1
1 473 . 7 1 1 A 43 43 THR CA C 1806 65.728 65.418 0.310 1
1 474 . 7 1 1 A 43 43 THR CB C 1806 69.023 69.026 -0.003 1
1 476 . 7 1 1 A 43 43 THR N N 1806 113.599 113.814 -0.215 1
1 477 . 7 1 1 A 44 44 LYS H H 1807 7.381 8.608 -1.227 1
1 478 . 7 1 1 A 44 44 LYS HA H 1807 4.190 4.198 -0.008 1
1 487 . 7 1 1 A 44 44 LYS CA C 1807 58.668 58.084 0.584 1
1 488 . 7 1 1 A 44 44 LYS CB C 1807 32.731 31.406 1.325 1
1 492 . 7 1 1 A 44 44 LYS N N 1807 120.270 119.560 0.710 1
1 493 . 7 1 1 A 45 45 GLY H H 1808 7.610 7.888 -0.278 1
1 494 . 7 1 1 A 45 45 GLY HA2 H 1808 3.610 4.075 -0.465 1
1 495 . 7 1 1 A 45 45 GLY HA3 H 1808 4.380 4.094 0.286 1
1 496 . 7 1 1 A 45 45 GLY CA C 1808 44.851 45.293 -0.442 1
1 497 . 7 1 1 A 45 45 GLY N N 1808 125.480 106.883 18.597 1
1 498 . 7 1 1 A 46 46 CYS H H 1809 6.898 7.562 -0.664 1
1 499 . 7 1 1 A 46 46 CYS HA H 1809 3.957 4.166 -0.209 1
1 502 . 7 1 1 A 46 46 CYS CA C 1809 60.551 59.410 1.141 1
1 503 . 7 1 1 A 46 46 CYS CB C 1809 30.260 28.829 1.431 1
1 504 . 7 1 1 A 46 46 CYS N N 1809 123.457 120.059 3.398 1
1 505 . 7 1 1 A 47 47 LYS HA H 1810 4.471 4.293 0.178 1
1 514 . 7 1 1 A 47 47 LYS CA C 1810 56.800 58.230 -1.430 1
1 515 . 7 1 1 A 47 47 LYS CB C 1810 33.840 32.927 0.913 1
1 518 . 7 1 1 A 48 48 ARG H H 1811 8.575 7.481 1.094 1
1 519 . 7 1 1 A 48 48 ARG HA H 1811 4.366 4.329 0.037 1
1 526 . 7 1 1 A 48 48 ARG CA C 1811 57.256 57.984 -0.728 1
1 527 . 7 1 1 A 48 48 ARG CB C 1811 32.143 31.723 0.420 1
1 530 . 7 1 1 A 48 48 ARG N N 1811 122.731 119.664 3.067 1
1 531 . 7 1 1 A 49 49 LYS H H 1812 8.663 7.793 0.870 1
1 532 . 7 1 1 A 49 49 LYS HA H 1812 4.521 4.154 0.367 1
1 539 . 7 1 1 A 49 49 LYS CA C 1812 57.256 58.383 -1.127 1
1 540 . 7 1 1 A 49 49 LYS CB C 1812 32.378 31.184 1.194 1
1 543 . 7 1 1 A 49 49 LYS N N 1812 118.409 118.058 0.351 1
1 544 . 7 1 1 A 50 50 THR HA H 1813 4.710 3.946 0.764 1
1 549 . 7 1 1 A 50 50 THR CA C 1813 63.846 65.778 -1.932 1
1 550 . 7 1 1 A 50 50 THR CB C 1813 68.317 68.170 0.147 1
1 552 . 7 1 1 A 51 51 ASN HA H 1814 4.676 4.375 0.301 1
1 557 . 7 1 1 A 51 51 ASN CA C 1814 82.908 56.341 26.567 1
1 558 . 7 1 1 A 51 51 ASN CB C 1814 38.732 38.575 0.157 1
1 560 . 7 1 1 A 52 52 GLY H H 1815 7.879 7.583 0.296 1
1 561 . 7 1 1 A 52 52 GLY HA2 H 1815 4.300 3.947 0.353 1
1 562 . 7 1 1 A 52 52 GLY HA3 H 1815 3.831 3.950 -0.119 1
1 563 . 7 1 1 A 52 52 GLY CA C 1815 45.557 45.295 0.262 1
1 564 . 7 1 1 A 52 52 GLY N N 1815 129.890 105.813 24.077 1
1 565 . 7 1 1 A 53 53 GLY H H 1816 7.765 7.611 0.154 1
1 566 . 7 1 1 A 53 53 GLY HA2 H 1816 3.885 3.955 -0.070 1
1 567 . 7 1 1 A 53 53 GLY HA3 H 1816 3.985 3.958 0.027 1
1 568 . 7 1 1 A 53 53 GLY CA C 1816 45.792 45.401 0.391 1
1 569 . 7 1 1 A 53 53 GLY N N 1816 128.949 107.914 21.035 1
1 570 . 7 1 1 A 54 54 CYS H H 1817 8.800 8.059 0.741 1
1 571 . 7 1 1 A 54 54 CYS HA H 1817 4.821 4.529 0.292 1
1 574 . 7 1 1 A 54 54 CYS CA C 1817 55.138 57.512 -2.374 1
1 575 . 7 1 1 A 54 54 CYS CB C 1817 30.966 28.991 1.975 1
1 576 . 7 1 1 A 54 54 CYS N N 1817 122.429 119.172 3.257 1
1 577 . 7 1 1 A 55 55 PRO HA H 1818 4.330 4.305 0.025 1
1 584 . 7 1 1 A 55 55 PRO CA C 1818 64.787 65.551 -0.764 1
1 585 . 7 1 1 A 55 55 PRO CB C 1818 32.613 31.850 0.763 1
1 588 . 7 1 1 A 56 56 VAL H H 1819 7.750 7.398 0.352 1
1 589 . 7 1 1 A 56 56 VAL HA H 1819 3.884 3.547 0.337 1
1 597 . 7 1 1 A 56 56 VAL CA C 1819 65.728 66.371 -0.643 1
1 598 . 7 1 1 A 56 56 VAL CB C 1819 32.849 31.196 1.653 1
1 601 . 7 1 1 A 56 56 VAL N N 1819 121.605 115.653 5.952 1
1 602 . 7 1 1 A 57 57 CYS H H 1820 8.884 8.120 0.764 1
1 603 . 7 1 1 A 57 57 CYS HA H 1820 4.106 3.915 0.191 1
1 606 . 7 1 1 A 57 57 CYS CA C 1820 65.728 63.883 1.845 1
1 607 . 7 1 1 A 57 57 CYS CB C 1820 30.250 26.931 3.319 1
1 608 . 7 1 1 A 57 57 CYS N N 1820 124.260 117.547 6.713 1
1 609 . 7 1 1 A 58 58 LYS H H 1821 8.133 8.124 0.009 1
1 610 . 7 1 1 A 58 58 LYS HA H 1821 3.942 3.867 0.075 1
1 619 . 7 1 1 A 58 58 LYS CA C 1821 59.610 59.871 -0.261 1
1 620 . 7 1 1 A 58 58 LYS CB C 1821 32.849 32.200 0.649 1
1 624 . 7 1 1 A 58 58 LYS N N 1821 117.129 119.626 -2.497 1
1 625 . 7 1 1 A 59 59 GLN H H 1822 7.318 7.780 -0.462 1
1 626 . 7 1 1 A 59 59 GLN HA H 1822 4.357 4.047 0.310 1
1 632 . 7 1 1 A 59 59 GLN N N 1822 117.943 119.105 -1.162 1
1 633 . 7 1 1 A 60 60 LEU H H 1823 8.667 7.730 0.937 1
1 634 . 7 1 1 A 60 60 LEU HA H 1823 4.950 4.005 0.945 1
1 647 . 7 1 1 A 60 60 LEU N N 1823 120.670 120.635 0.035 1
1 648 . 7 1 1 A 61 61 ILE H H 1824 8.780 8.134 0.646 1
1 649 . 7 1 1 A 61 61 ILE HA H 1824 3.614 3.571 0.043 1
1 659 . 7 1 1 A 61 61 ILE CA C 1824 64.787 65.633 -0.846 1
1 660 . 7 1 1 A 61 61 ILE CB C 1824 37.320 37.443 -0.123 1
1 664 . 7 1 1 A 61 61 ILE N N 1824 119.837 118.839 0.998 1
1 665 . 7 1 1 A 62 62 ALA H H 1825 7.675 8.317 -0.642 1
1 666 . 7 1 1 A 62 62 ALA HA H 1825 4.112 4.091 0.021 1
1 670 . 7 1 1 A 62 62 ALA CA C 1825 55.374 55.291 0.083 1
1 671 . 7 1 1 A 62 62 ALA CB C 1825 18.560 18.163 0.397 1
1 672 . 7 1 1 A 62 62 ALA N N 1825 122.779 121.990 0.789 1
1 673 . 7 1 1 A 63 63 LEU H H 1826 7.983 7.897 0.086 1
1 674 . 7 1 1 A 63 63 LEU HA H 1826 4.114 4.042 0.072 1
1 684 . 7 1 1 A 63 63 LEU CA C 1826 58.334 58.053 0.281 1
1 685 . 7 1 1 A 63 63 LEU CB C 1826 42.821 41.627 1.194 1
1 689 . 7 1 1 A 63 63 LEU N N 1826 118.291 117.848 0.443 1
1 690 . 7 1 1 A 64 64 CYS H H 1827 8.663 8.509 0.154 1
1 691 . 7 1 1 A 64 64 CYS HA H 1827 4.350 4.239 0.111 1
1 694 . 7 1 1 A 64 64 CYS CA C 1827 64.800 62.669 2.131 1
1 695 . 7 1 1 A 64 64 CYS CB C 1827 26.495 26.086 0.409 1
1 696 . 7 1 1 A 64 64 CYS N N 1827 118.409 117.471 0.938 1
1 697 . 7 1 1 A 65 65 CYS H H 1828 8.672 8.563 0.109 1
1 698 . 7 1 1 A 65 65 CYS HA H 1828 4.152 4.049 0.103 1
1 701 . 7 1 1 A 65 65 CYS CA C 1828 63.547 63.140 0.407 1
1 702 . 7 1 1 A 65 65 CYS CB C 1828 26.495 26.395 0.100 1
1 703 . 7 1 1 A 65 65 CYS N N 1828 118.996 121.974 -2.978 1
1 704 . 7 1 1 A 66 66 TYR H H 1829 7.837 8.658 -0.821 1
1 705 . 7 1 1 A 66 66 TYR HA H 1829 4.199 4.246 -0.047 1
1 712 . 7 1 1 A 66 66 TYR CA C 1829 61.220 61.786 -0.566 1
1 713 . 7 1 1 A 66 66 TYR CB C 1829 38.261 38.563 -0.302 1
1 716 . 7 1 1 A 66 66 TYR N N 1829 120.650 122.233 -1.583 1
1 717 . 7 1 1 A 67 67 HIS H H 1830 8.323 8.386 -0.063 1
1 718 . 7 1 1 A 67 67 HIS HA H 1830 4.341 4.414 -0.073 1
1 723 . 7 1 1 A 67 67 HIS CA C 1830 58.668 60.405 -1.737 1
1 724 . 7 1 1 A 67 67 HIS CB C 1830 27.907 29.967 -2.060 1
1 727 . 7 1 1 A 67 67 HIS N N 1830 117.149 119.418 -2.269 1
1 728 . 7 1 1 A 68 68 ALA H H 1831 8.693 8.564 0.129 1
1 729 . 7 1 1 A 68 68 ALA HA H 1831 4.250 4.024 0.226 1
1 733 . 7 1 1 A 68 68 ALA CA C 1831 55.205 55.267 -0.062 1
1 734 . 7 1 1 A 68 68 ALA CB C 1831 20.695 18.522 2.173 1
1 735 . 7 1 1 A 68 68 ALA N N 1831 121.519 120.852 0.667 1
1 736 . 7 1 1 A 69 69 LYS H H 1832 7.126 8.160 -1.034 1
1 737 . 7 1 1 A 69 69 LYS HA H 1832 3.737 4.028 -0.291 1
1 746 . 7 1 1 A 69 69 LYS CA C 1832 57.962 59.489 -1.527 1
1 747 . 7 1 1 A 69 69 LYS CB C 1832 32.613 31.726 0.887 1
1 751 . 7 1 1 A 69 69 LYS N N 1832 114.376 118.874 -4.498 1
1 752 . 7 1 1 A 70 70 HIS H H 1833 6.884 7.368 -0.484 1
1 753 . 7 1 1 A 70 70 HIS HA H 1833 4.711 4.324 0.387 1
1 758 . 7 1 1 A 70 70 HIS CA C 1833 54.970 57.832 -2.862 1
1 759 . 7 1 1 A 70 70 HIS CB C 1833 31.201 30.798 0.403 1
1 762 . 7 1 1 A 70 70 HIS N N 1833 113.369 114.558 -1.189 1
1 763 . 7 1 1 A 71 71 CYS H H 1834 6.969 7.530 -0.561 1
1 764 . 7 1 1 A 71 71 CYS HA H 1834 4.210 4.272 -0.062 1
1 767 . 7 1 1 A 71 71 CYS CA C 1834 60.800 59.439 1.361 1
1 768 . 7 1 1 A 71 71 CYS CB C 1834 30.250 28.580 1.670 1
1 769 . 7 1 1 A 71 71 CYS N N 1834 123.813 117.862 5.951 1
1 770 . 7 1 1 A 72 72 GLN H H 1835 9.101 8.607 0.494 1
1 771 . 7 1 1 A 72 72 GLN HA H 1835 4.646 4.727 -0.081 1
1 778 . 7 1 1 A 72 72 GLN CA C 1835 54.735 55.591 -0.856 1
1 779 . 7 1 1 A 72 72 GLN CB C 1835 29.319 30.603 -1.284 1
1 781 . 7 1 1 A 72 72 GLN N N 1835 128.430 122.132 6.298 1
1 783 . 7 1 1 A 73 73 GLU H H 1836 8.331 7.292 1.039 1
1 784 . 7 1 1 A 73 73 GLU HA H 1836 4.365 4.318 0.047 1
1 788 . 7 1 1 A 73 73 GLU CA C 1836 55.374 56.752 -1.378 1
1 789 . 7 1 1 A 73 73 GLU CB C 1836 30.731 30.820 -0.089 1
1 791 . 7 1 1 A 73 73 GLU N N 1836 123.251 121.836 1.415 1
1 792 . 7 1 1 A 74 74 ASN HA H 1837 4.512 4.442 0.070 1
1 797 . 7 1 1 A 74 74 ASN CA C 1837 54.970 55.234 -0.264 1
1 798 . 7 1 1 A 74 74 ASN CB C 1837 38.732 38.365 0.367 1
1 800 . 7 1 1 A 75 75 LYS H H 1838 8.779 7.837 0.942 1
1 801 . 7 1 1 A 75 75 LYS HA H 1838 4.424 4.628 -0.204 1
1 810 . 7 1 1 A 75 75 LYS CA C 1838 54.735 55.103 -0.368 1
1 811 . 7 1 1 A 75 75 LYS CB C 1838 30.966 33.081 -2.115 1
1 815 . 7 1 1 A 75 75 LYS N N 1838 121.350 115.135 6.215 1
1 816 . 7 1 1 A 76 76 CYS H H 1839 7.590 7.039 0.551 1
1 817 . 7 1 1 A 76 76 CYS HA H 1839 4.361 4.385 -0.024 1
1 820 . 7 1 1 A 76 76 CYS CA C 1839 57.256 57.732 -0.476 1
1 821 . 7 1 1 A 76 76 CYS CB C 1839 30.731 28.342 2.389 1
1 822 . 7 1 1 A 76 76 CYS N N 1839 124.209 121.628 2.581 1
1 823 . 7 1 1 A 77 77 PRO HA H 1840 4.651 4.358 0.293 1
1 830 . 7 1 1 A 77 77 PRO CA C 1840 62.669 64.417 -1.748 1
1 831 . 7 1 1 A 77 77 PRO CB C 1840 32.849 31.915 0.934 1
1 834 . 7 1 1 A 78 78 VAL H H 1841 8.962 7.740 1.222 1
1 835 . 7 1 1 A 78 78 VAL HA H 1841 4.199 4.175 0.024 1
1 843 . 7 1 1 A 78 78 VAL CA C 1841 61.257 60.944 0.313 1
1 844 . 7 1 1 A 78 78 VAL CB C 1841 31.672 32.063 -0.391 1
1 847 . 7 1 1 A 78 78 VAL N N 1841 128.606 119.500 9.106 1
1 848 . 7 1 1 A 79 79 PRO HA H 1842 3.936 4.229 -0.293 1
1 855 . 7 1 1 A 79 79 PRO CA C 1842 63.846 65.719 -1.873 1
1 856 . 7 1 1 A 79 79 PRO CB C 1842 30.731 31.350 -0.619 1
1 859 . 7 1 1 A 80 80 PHE HA H 1843 4.255 4.219 0.036 1
1 866 . 7 1 1 A 80 80 PHE CA C 1843 59.374 60.309 -0.935 1
1 867 . 7 1 1 A 80 80 PHE CB C 1843 37.791 38.173 -0.382 1
1 870 . 7 1 1 A 81 81 CYS H H 1844 7.660 8.307 -0.647 1
1 871 . 7 1 1 A 81 81 CYS HA H 1844 3.997 4.197 -0.200 1
1 874 . 7 1 1 A 81 81 CYS CA C 1844 64.552 62.529 2.023 1
1 875 . 7 1 1 A 81 81 CYS CB C 1844 30.495 26.800 3.695 1
1 876 . 7 1 1 A 81 81 CYS N N 1844 124.104 118.743 5.361 1
1 877 . 7 1 1 A 82 82 LEU H H 1845 8.170 8.332 -0.162 1
1 878 . 7 1 1 A 82 82 LEU HA H 1845 3.988 3.966 0.022 1
1 888 . 7 1 1 A 82 82 LEU CA C 1845 57.962 58.193 -0.231 1
1 889 . 7 1 1 A 82 82 LEU CB C 1845 41.321 41.441 -0.120 1
1 893 . 7 1 1 A 82 82 LEU N N 1845 115.950 121.116 -5.166 1
1 894 . 7 1 1 A 83 83 ASN H H 1846 7.826 8.313 -0.487 1
1 895 . 7 1 1 A 83 83 ASN HA H 1846 4.447 4.444 0.003 1
1 900 . 7 1 1 A 83 83 ASN CA C 1846 56.800 57.001 -0.201 1
1 901 . 7 1 1 A 83 83 ASN CB C 1846 38.967 39.192 -0.225 1
1 902 . 7 1 1 A 83 83 ASN N N 1846 116.117 117.566 -1.449 1
1 904 . 7 1 1 A 84 84 ILE H H 1847 8.607 8.216 0.391 1
1 905 . 7 1 1 A 84 84 ILE HA H 1847 3.718 3.597 0.121 1
1 915 . 7 1 1 A 84 84 ILE CA C 1847 64.787 65.409 -0.622 1
1 916 . 7 1 1 A 84 84 ILE CB C 1847 38.497 37.858 0.639 1
1 920 . 7 1 1 A 84 84 ILE N N 1847 121.553 119.457 2.096 1
1 921 . 7 1 1 A 85 85 LYS H H 1848 8.855 8.304 0.551 1
1 922 . 7 1 1 A 85 85 LYS HA H 1848 3.859 3.947 -0.088 1
1 931 . 7 1 1 A 85 85 LYS CA C 1848 60.551 59.165 1.386 1
1 932 . 7 1 1 A 85 85 LYS CB C 1848 32.613 32.388 0.225 1
1 936 . 7 1 1 A 85 85 LYS N N 1848 119.992 119.020 0.972 1
1 937 . 7 1 1 A 86 86 HIS H H 1849 8.100 8.107 -0.007 1
1 938 . 7 1 1 A 86 86 HIS HA H 1849 4.411 4.280 0.131 1
1 943 . 7 1 1 A 86 86 HIS CA C 1849 58.433 60.069 -1.636 1
1 944 . 7 1 1 A 86 86 HIS CB C 1849 30.495 29.759 0.736 1
1 947 . 7 1 1 A 86 86 HIS N N 1849 117.237 119.788 -2.551 1
1 948 . 7 1 1 A 87 87 LYS H H 1850 7.685 8.389 -0.704 1
1 949 . 7 1 1 A 87 87 LYS HA H 1850 4.128 3.891 0.237 1
1 958 . 7 1 1 A 87 87 LYS CA C 1850 57.727 59.425 -1.698 1
1 959 . 7 1 1 A 87 87 LYS CB C 1850 32.378 32.687 -0.309 1
1 963 . 7 1 1 A 87 87 LYS N N 1850 119.118 117.612 1.506 1
1 964 . 7 1 1 A 88 88 LEU H H 1851 8.230 8.539 -0.309 1
1 965 . 7 1 1 A 88 88 LEU HA H 1851 4.174 3.934 0.240 1
1 975 . 7 1 1 A 88 88 LEU CA C 1851 56.800 57.577 -0.777 1
1 976 . 7 1 1 A 88 88 LEU CB C 1851 42.262 41.138 1.124 1
1 980 . 7 1 1 A 88 88 LEU N N 1851 119.305 120.145 -0.840 1
1 981 . 7 1 1 A 89 89 ARG H H 1852 7.765 7.545 0.220 1
1 982 . 7 1 1 A 89 89 ARG HA H 1852 4.245 4.206 0.039 1
1 989 . 7 1 1 A 89 89 ARG CA C 1852 56.550 57.177 -0.627 1
1 990 . 7 1 1 A 89 89 ARG CB C 1852 30.260 30.445 -0.185 1
1 993 . 7 1 1 A 89 89 ARG N N 1852 118.302 118.669 -0.367 1
1 994 . 7 1 1 A 90 90 GLN H H 1853 7.851 7.785 0.066 1
1 995 . 7 1 1 A 90 90 GLN HA H 1853 4.262 3.908 0.354 1
1 1002 . 7 1 1 A 90 90 GLN CA C 1853 55.609 58.834 -3.225 1
1 1003 . 7 1 1 A 90 90 GLN CB C 1853 29.554 28.818 0.736 1
1 1005 . 7 1 1 A 90 90 GLN N N 1853 119.450 118.721 0.729 1
1 1007 . 7 1 1 A 91 91 GLN H H 1854 8.710 7.474 1.236 1
1 1008 . 7 1 1 A 91 91 GLN HA H 1854 4.317 4.381 -0.064 1
1 1015 . 7 1 1 A 91 91 GLN CA C 1854 55.609 55.536 0.073 1
1 1016 . 7 1 1 A 91 91 GLN CB C 1854 29.554 29.576 -0.022 1
1 1018 . 7 1 1 A 91 91 GLN N N 1854 120.675 115.874 4.801 1
1 1038 . 7 2 2 B 2 2 HIS HA H 51 4.636 4.898 -0.262 1
1 1043 . 7 2 2 B 2 2 HIS CA C 51 55.844 55.933 -0.089 1
1 1044 . 7 2 2 B 2 2 HIS CB C 51 30.495 33.257 -2.762 1
1 1047 . 7 2 2 B 3 3 MET H H 52 8.230 7.907 0.323 1
1 1048 . 7 2 2 B 3 3 MET HA H 52 4.430 4.817 -0.387 1
1 1053 . 7 2 2 B 3 3 MET CA C 52 54.903 53.768 1.135 1
1 1054 . 7 2 2 B 3 3 MET CB C 52 33.840 35.606 -1.766 1
1 1056 . 7 2 2 B 3 3 MET N N 52 121.881 120.510 1.371 1
1 1057 . 7 2 2 B 4 4 ALA H H 53 8.269 8.516 -0.247 1
1 1058 . 7 2 2 B 4 4 ALA HA H 53 4.586 4.454 0.132 1
1 1062 . 7 2 2 B 4 4 ALA CA C 53 51.255 50.794 0.461 1
1 1063 . 7 2 2 B 4 4 ALA CB C 53 18.796 18.024 0.772 1
1 1064 . 7 2 2 B 4 4 ALA N N 53 126.758 122.924 3.834 1
1 1065 . 7 2 2 B 5 5 PRO HA H 54 4.705 4.385 0.320 1
1 1072 . 7 2 2 B 5 5 PRO CA C 54 61.257 65.281 -4.024 1
1 1073 . 7 2 2 B 5 5 PRO CB C 54 30.966 31.867 -0.901 1
1 1076 . 7 2 2 B 6 6 GLU H H 55 8.468 7.558 0.910 1
1 1077 . 7 2 2 B 6 6 GLU HA H 55 4.150 4.653 -0.503 1
1 1082 . 7 2 2 B 6 6 GLU CA C 55 56.550 55.702 0.848 1
1 1083 . 7 2 2 B 6 6 GLU CB C 55 30.495 32.089 -1.594 1
1 1085 . 7 2 2 B 6 6 GLU N N 55 121.693 112.481 9.212 1
1 1086 . 7 2 2 B 7 7 ASP H H 56 8.574 8.798 -0.224 1
1 1087 . 7 2 2 B 7 7 ASP HA H 56 5.200 5.068 0.132 1
1 1090 . 7 2 2 B 7 7 ASP CA C 56 51.255 50.880 0.375 1
1 1091 . 7 2 2 B 7 7 ASP CB C 56 42.262 42.672 -0.410 1
1 1092 . 7 2 2 B 7 7 ASP N N 56 120.873 120.385 0.488 1
1 1093 . 7 2 2 B 8 8 PRO HA H 57 4.465 4.376 0.089 1
1 1100 . 7 2 2 B 8 8 PRO CA C 57 63.610 65.421 -1.811 1
1 1101 . 7 2 2 B 8 8 PRO CB C 57 32.378 31.922 0.456 1
1 1104 . 7 2 2 B 9 9 ASN H H 58 8.301 8.366 -0.065 1
1 1105 . 7 2 2 B 9 9 ASN HA H 58 4.809 4.517 0.292 1
1 1110 . 7 2 2 B 9 9 ASN CA C 58 53.558 55.050 -1.492 1
1 1111 . 7 2 2 B 9 9 ASN CB C 58 38.497 37.859 0.638 1
1 1112 . 7 2 2 B 9 9 ASN N N 58 117.190 115.086 2.104 1
1 1114 . 7 2 2 B 10 10 GLU H H 59 7.366 8.670 -1.304 1
1 1115 . 7 2 2 B 10 10 GLU HA H 59 3.641 4.031 -0.390 1
1 1120 . 7 2 2 B 10 10 GLU CA C 59 60.800 59.265 1.535 1
1 1121 . 7 2 2 B 10 10 GLU CB C 59 29.554 28.841 0.713 1
1 1123 . 7 2 2 B 10 10 GLU N N 59 122.354 118.354 4.000 1
1 1124 . 7 2 2 B 11 11 GLU H H 60 8.618 8.363 0.255 1
1 1125 . 7 2 2 B 11 11 GLU HA H 60 3.933 4.020 -0.087 1
1 1130 . 7 2 2 B 11 11 GLU CA C 60 59.139 59.364 -0.225 1
1 1131 . 7 2 2 B 11 11 GLU CB C 60 29.830 29.418 0.412 1
1 1133 . 7 2 2 B 11 11 GLU N N 60 120.391 120.177 0.214 1
1 1134 . 7 2 2 B 12 12 ALA H H 61 8.280 7.675 0.605 1
1 1135 . 7 2 2 B 12 12 ALA HA H 61 4.180 4.032 0.148 1
1 1139 . 7 2 2 B 12 12 ALA CA C 61 55.205 54.619 0.586 1
1 1140 . 7 2 2 B 12 12 ALA CB C 61 20.695 18.161 2.534 1
1 1141 . 7 2 2 B 12 12 ALA N N 61 122.378 121.401 0.977 1
1 1142 . 7 2 2 B 13 13 VAL H H 62 7.773 7.277 0.496 1
1 1143 . 7 2 2 B 13 13 VAL HA H 62 3.974 3.351 0.623 1
1 1151 . 7 2 2 B 13 13 VAL CA C 62 66.199 66.212 -0.013 1
1 1152 . 7 2 2 B 13 13 VAL CB C 62 31.907 31.498 0.409 1
1 1155 . 7 2 2 B 13 13 VAL N N 62 116.653 118.367 -1.714 1
1 1156 . 7 2 2 B 14 14 SER H H 63 8.288 8.147 0.141 1
1 1157 . 7 2 2 B 14 14 SER HA H 63 4.620 3.958 0.662 1
1 1160 . 7 2 2 B 14 14 SER CA C 63 60.786 62.106 -1.320 1
1 1161 . 7 2 2 B 14 14 SER CB C 63 62.434 62.964 -0.530 1
1 1162 . 7 2 2 B 14 14 SER N N 63 115.328 115.714 -0.386 1
1 1163 . 7 2 2 B 15 15 GLN H H 64 7.775 8.024 -0.249 1
1 1164 . 7 2 2 B 15 15 GLN HA H 64 4.190 4.037 0.153 1
1 1171 . 7 2 2 B 15 15 GLN CA C 64 57.492 58.355 -0.863 1
1 1172 . 7 2 2 B 15 15 GLN CB C 64 28.613 27.406 1.207 1
1 1174 . 7 2 2 B 15 15 GLN N N 64 119.350 118.584 0.766 1
1 1176 . 7 2 2 B 16 16 ILE H H 65 7.217 7.340 -0.123 1
1 1177 . 7 2 2 B 16 16 ILE HA H 65 3.788 3.915 -0.127 1
1 1186 . 7 2 2 B 16 16 ILE CA C 65 61.492 63.298 -1.806 1
1 1187 . 7 2 2 B 16 16 ILE CB C 65 37.320 38.844 -1.524 1
1 1191 . 7 2 2 B 16 16 ILE N N 65 117.427 119.202 -1.775 1
1 1192 . 7 2 2 B 17 17 PHE H H 66 8.370 7.602 0.768 1
1 1193 . 7 2 2 B 17 17 PHE HA H 66 4.407 4.921 -0.514 1
1 1200 . 7 2 2 B 17 17 PHE CA C 66 55.374 54.830 0.544 1
1 1201 . 7 2 2 B 17 17 PHE CB C 66 42.270 40.006 2.264 1
1 1205 . 7 2 2 B 17 17 PHE N N 66 117.389 115.261 2.128 1
1 1206 . 7 2 2 B 18 18 PRO HA H 67 4.784 4.794 -0.010 1
1 1213 . 7 2 2 B 18 18 PRO CA C 67 62.669 62.362 0.307 1
1 1214 . 7 2 2 B 18 18 PRO CB C 67 32.378 33.253 -0.875 1
1 1217 . 7 2 2 B 19 19 ASP H H 68 9.127 8.761 0.366 1
1 1218 . 7 2 2 B 19 19 ASP HA H 68 4.261 4.351 -0.090 1
1 1221 . 7 2 2 B 19 19 ASP CA C 68 57.927 55.821 2.106 1
1 1222 . 7 2 2 B 19 19 ASP CB C 68 40.451 40.035 0.416 1
1 1223 . 7 2 2 B 19 19 ASP N N 68 123.618 121.422 2.196 1
1 1224 . 7 2 2 B 20 20 SER H H 69 8.624 7.742 0.882 1
1 1225 . 7 2 2 B 20 20 SER HA H 69 4.816 4.405 0.411 1
1 1226 . 7 2 2 B 20 20 SER N N 69 112.914 112.187 0.727 1
1 1227 . 7 2 2 B 21 21 VAL H H 70 7.380 7.692 -0.312 1
1 1228 . 7 2 2 B 21 21 VAL HA H 70 3.958 4.731 -0.773 1
1 1236 . 7 2 2 B 21 21 VAL CA C 70 64.316 58.751 5.565 1
1 1237 . 7 2 2 B 21 21 VAL CB C 70 32.378 35.522 -3.144 1
1 1240 . 7 2 2 B 21 21 VAL N N 70 123.280 116.733 6.547 1
1 1241 . 7 2 2 B 22 22 MET H H 71 7.638 8.791 -1.153 1
1 1242 . 7 2 2 B 22 22 MET HA H 71 4.266 4.602 -0.336 1
1 1248 . 7 2 2 B 22 22 MET CA C 71 55.844 54.519 1.325 1
1 1249 . 7 2 2 B 22 22 MET CB C 71 31.907 30.456 1.451 1
1 1251 . 7 2 2 B 22 22 MET N N 71 117.825 122.308 -4.483 1
1 1252 . 7 2 2 B 23 23 LEU H H 72 8.102 7.699 0.403 1
1 1253 . 7 2 2 B 23 23 LEU HA H 72 4.132 4.031 0.101 1
1 1263 . 7 2 2 B 23 23 LEU CA C 72 56.786 58.181 -1.395 1
1 1264 . 7 2 2 B 23 23 LEU CB C 72 42.270 41.744 0.526 1
1 1268 . 7 2 2 B 23 23 LEU N N 72 119.633 122.876 -3.243 1
1 1269 . 7 2 2 B 24 24 ALA H H 73 7.464 8.292 -0.828 1
1 1270 . 7 2 2 B 24 24 ALA HA H 73 4.197 4.093 0.104 1
1 1274 . 7 2 2 B 24 24 ALA CA C 73 84.840 55.166 29.674 1
1 1275 . 7 2 2 B 24 24 ALA CB C 73 19.266 18.530 0.736 1
1 1276 . 7 2 2 B 24 24 ALA N N 73 120.682 120.518 0.164 1
1 1277 . 7 2 2 B 25 25 VAL H H 74 7.668 8.192 -0.524 1
1 1278 . 7 2 2 B 25 25 VAL HA H 74 4.258 3.846 0.412 1
1 1286 . 7 2 2 B 25 25 VAL CA C 74 62.434 64.285 -1.851 1
1 1287 . 7 2 2 B 25 25 VAL CB C 74 31.672 31.578 0.094 1
1 1290 . 7 2 2 B 25 25 VAL N N 74 112.530 117.166 -4.636 1
1 1291 . 7 2 2 B 26 26 GLN H H 75 7.806 8.081 -0.275 1
1 1292 . 7 2 2 B 26 26 GLN HA H 75 4.308 4.529 -0.221 1
1 1299 . 7 2 2 B 26 26 GLN CA C 75 56.786 55.258 1.528 1
1 1300 . 7 2 2 B 26 26 GLN CB C 75 29.554 29.856 -0.302 1
1 1302 . 7 2 2 B 26 26 GLN N N 75 121.794 116.323 5.471 1
1 1304 . 7 2 2 B 27 27 GLU H H 76 8.340 7.391 0.949 1
1 1305 . 7 2 2 B 27 27 GLU HA H 76 4.349 4.754 -0.405 1
1 1310 . 7 2 2 B 27 27 GLU CA C 76 56.315 54.990 1.325 1
1 1311 . 7 2 2 B 27 27 GLU CB C 76 30.495 33.610 -3.115 1
1 1313 . 7 2 2 B 27 27 GLU N N 76 120.410 121.091 -0.681 1
1 1314 . 7 2 2 B 28 28 GLY H H 77 8.295 8.516 -0.221 1
1 1315 . 7 2 2 B 28 28 GLY HA2 H 77 3.938 4.391 -0.453 1
1 1316 . 7 2 2 B 28 28 GLY HA3 H 77 4.190 4.399 -0.209 1
1 1317 . 7 2 2 B 28 28 GLY CA C 77 45.792 45.160 0.632 1
1 1318 . 7 2 2 B 28 28 GLY N N 77 109.255 108.826 0.429 1
1 1319 . 7 2 2 B 29 29 ILE H H 78 7.889 8.751 -0.862 1
1 1320 . 7 2 2 B 29 29 ILE HA H 78 4.166 4.841 -0.675 1
1 1330 . 7 2 2 B 29 29 ILE CA C 78 60.786 60.330 0.456 1
1 1331 . 7 2 2 B 29 29 ILE CB C 78 39.203 40.295 -1.092 1
1 1335 . 7 2 2 B 29 29 ILE N N 78 119.126 121.409 -2.283 1
1 1336 . 7 2 2 B 30 30 ASP H H 79 8.442 8.701 -0.259 1
1 1337 . 7 2 2 B 30 30 ASP HA H 79 4.577 4.711 -0.134 1
1 1340 . 7 2 2 B 30 30 ASP CA C 79 55.255 53.012 2.243 1
1 1341 . 7 2 2 B 30 30 ASP CB C 79 41.850 39.272 2.578 1
1 1342 . 7 2 2 B 30 30 ASP N N 79 123.665 127.360 -3.695 1
1 1343 . 7 2 2 B 31 31 LEU H H 80 8.141 8.124 0.017 1
1 1344 . 7 2 2 B 31 31 LEU HA H 80 4.292 4.298 -0.006 1
1 1354 . 7 2 2 B 31 31 LEU CA C 80 55.205 56.986 -1.781 1
1 1355 . 7 2 2 B 31 31 LEU CB C 80 42.262 41.728 0.534 1
1 1359 . 7 2 2 B 31 31 LEU N N 80 122.359 126.178 -3.819 1
1 1360 . 7 2 2 B 32 32 LEU H H 81 8.840 7.977 0.863 1
1 1361 . 7 2 2 B 32 32 LEU HA H 81 4.256 4.091 0.165 1
1 1371 . 7 2 2 B 32 32 LEU CA C 81 54.903 57.792 -2.889 1
1 1372 . 7 2 2 B 32 32 LEU CB C 81 42.497 41.313 1.184 1
1 1376 . 7 2 2 B 32 32 LEU N N 81 120.762 118.459 2.303 1
1 1377 . 7 2 2 B 33 33 THR H H 82 7.728 7.872 -0.144 1
1 1378 . 7 2 2 B 33 33 THR HA H 82 4.226 4.230 -0.004 1
1 1383 . 7 2 2 B 33 33 THR CA C 82 61.220 63.878 -2.658 1
1 1384 . 7 2 2 B 33 33 THR CB C 82 69.494 68.829 0.665 1
1 1386 . 7 2 2 B 33 33 THR N N 82 113.606 113.326 0.280 1
1 1387 . 7 2 2 B 34 34 PHE H H 83 8.181 7.568 0.613 1
1 1388 . 7 2 2 B 34 34 PHE HA H 83 4.825 4.683 0.142 1
1 1395 . 7 2 2 B 34 34 PHE CA C 83 55.138 56.315 -1.177 1
1 1396 . 7 2 2 B 34 34 PHE CB C 83 39.203 38.518 0.685 1
1 1399 . 7 2 2 B 34 34 PHE N N 83 123.600 120.771 2.829 1
1 1400 . 7 2 2 B 35 35 PRO HA H 84 4.765 4.630 0.135 1
1 1407 . 7 2 2 B 35 35 PRO CA C 84 62.900 62.049 0.851 1
1 1408 . 7 2 2 B 35 35 PRO CB C 84 32.538 31.859 0.679 1
1 1411 . 7 2 2 B 36 36 PRO HA H 85 4.422 4.415 0.007 1
1 1418 . 7 2 2 B 36 36 PRO CA C 85 62.434 63.415 -0.981 1
1 1419 . 7 2 2 B 36 36 PRO CB C 85 32.143 31.881 0.262 1
1 1422 . 7 2 2 B 37 37 ALA H H 86 8.370 8.460 -0.090 1
1 1423 . 7 2 2 B 37 37 ALA HA H 86 4.429 4.598 -0.169 1
1 1427 . 7 2 2 B 37 37 ALA CA C 86 50.263 51.017 -0.754 1
1 1428 . 7 2 2 B 37 37 ALA CB C 86 19.972 17.992 1.980 1
1 1429 . 7 2 2 B 37 37 ALA N N 86 125.277 125.587 -0.310 1
1 1430 . 7 2 2 B 38 38 PRO HA H 87 4.388 4.444 -0.056 1
1 1437 . 7 2 2 B 38 38 PRO CA C 87 63.140 63.830 -0.690 1
1 1438 . 7 2 2 B 38 38 PRO CB C 87 32.143 31.877 0.266 1
1 1441 . 7 2 2 B 39 39 GLY H H 88 8.503 7.481 1.022 1
1 1442 . 7 2 2 B 39 39 GLY HA2 H 88 3.895 4.061 -0.166 1
1 1443 . 7 2 2 B 39 39 GLY HA3 H 88 3.981 4.064 -0.083 1
1 1444 . 7 2 2 B 39 39 GLY CA C 88 74.671 45.384 29.287 1
1 1445 . 7 2 2 B 39 39 GLY N N 88 109.831 104.167 5.664 1
1 1446 . 7 2 2 B 40 40 SER H H 89 8.800 8.520 0.280 1
1 1447 . 7 2 2 B 40 40 SER HA H 89 4.748 4.449 0.299 1
1 1450 . 7 2 2 B 40 40 SER CA C 89 56.800 57.126 -0.326 1
1 1451 . 7 2 2 B 40 40 SER CB C 89 63.140 63.164 -0.024 1
1 1452 . 7 2 2 B 40 40 SER N N 89 116.937 116.707 0.230 1
1 1453 . 7 2 2 B 41 41 PRO HA H 90 4.441 4.294 0.147 1
1 1460 . 7 2 2 B 41 41 PRO CA C 90 63.140 65.371 -2.231 1
1 1461 . 7 2 2 B 41 41 PRO CB C 90 32.143 32.189 -0.046 1
1 6 . 8 1 1 A 2 2 PRO HA H 1765 4.433 4.254 0.179 1
1 13 . 8 1 1 A 2 2 PRO CA C 1765 64.810 65.370 -0.560 1
1 14 . 8 1 1 A 2 2 PRO CB C 1765 31.907 31.886 0.021 1
1 17 . 8 1 1 A 3 3 GLN H H 1766 8.442 8.872 -0.430 1
1 18 . 8 1 1 A 3 3 GLN HA H 1766 3.889 4.043 -0.154 1
1 25 . 8 1 1 A 3 3 GLN CA C 1766 59.103 59.642 -0.539 1
1 26 . 8 1 1 A 3 3 GLN CB C 1766 28.595 27.922 0.673 1
1 28 . 8 1 1 A 3 3 GLN N N 1766 115.685 115.522 0.163 1
1 30 . 8 1 1 A 4 4 GLU H H 1767 8.161 8.282 -0.121 1
1 31 . 8 1 1 A 4 4 GLU HA H 1767 4.197 4.087 0.110 1
1 36 . 8 1 1 A 4 4 GLU CA C 1767 57.727 59.441 -1.714 1
1 37 . 8 1 1 A 4 4 GLU CB C 1767 30.250 29.392 0.858 1
1 39 . 8 1 1 A 4 4 GLU N N 1767 121.941 120.172 1.769 1
1 40 . 8 1 1 A 5 5 SER H H 1768 8.291 8.053 0.238 1
1 41 . 8 1 1 A 5 5 SER HA H 1768 4.280 4.129 0.151 1
1 44 . 8 1 1 A 5 5 SER CA C 1768 60.800 61.801 -1.001 1
1 45 . 8 1 1 A 5 5 SER CB C 1768 63.435 62.839 0.596 1
1 46 . 8 1 1 A 5 5 SER N N 1768 116.360 117.235 -0.875 1
1 47 . 8 1 1 A 6 6 ARG H H 1769 7.935 8.003 -0.068 1
1 48 . 8 1 1 A 6 6 ARG HA H 1769 4.120 4.034 0.086 1
1 52 . 8 1 1 A 6 6 ARG N N 1769 122.139 122.003 0.136 1
1 53 . 8 1 1 A 7 7 ARG H H 1770 7.952 7.841 0.111 1
1 54 . 8 1 1 A 7 7 ARG HA H 1770 3.939 3.991 -0.052 1
1 61 . 8 1 1 A 7 7 ARG N N 1770 119.527 119.671 -0.144 1
1 62 . 8 1 1 A 8 8 LEU H H 1771 8.120 8.529 -0.409 1
1 63 . 8 1 1 A 8 8 LEU HA H 1771 4.188 3.980 0.208 1
1 73 . 8 1 1 A 8 8 LEU CA C 1771 56.786 57.763 -0.977 1
1 74 . 8 1 1 A 8 8 LEU CB C 1771 41.556 41.783 -0.227 1
1 78 . 8 1 1 A 8 8 LEU N N 1771 120.237 120.346 -0.109 1
1 79 . 8 1 1 A 9 9 SER H H 1772 8.860 8.124 0.736 1
1 80 . 8 1 1 A 9 9 SER HA H 1772 4.224 4.144 0.080 1
1 83 . 8 1 1 A 9 9 SER CA C 1772 61.728 61.679 0.049 1
1 84 . 8 1 1 A 9 9 SER CB C 1772 62.198 62.256 -0.058 1
1 85 . 8 1 1 A 9 9 SER N N 1772 116.214 112.937 3.277 1
1 86 . 8 1 1 A 10 10 ILE H H 1773 8.133 7.560 0.573 1
1 87 . 8 1 1 A 10 10 ILE HA H 1773 3.510 3.546 -0.036 1
1 97 . 8 1 1 A 10 10 ILE CA C 1773 64.787 65.154 -0.367 1
1 98 . 8 1 1 A 10 10 ILE CB C 1773 38.732 37.453 1.279 1
1 102 . 8 1 1 A 10 10 ILE N N 1773 122.927 122.977 -0.050 1
1 103 . 8 1 1 A 11 11 GLN H H 1774 8.250 8.007 0.243 1
1 104 . 8 1 1 A 11 11 GLN HA H 1774 3.980 4.025 -0.045 1
1 111 . 8 1 1 A 11 11 GLN CA C 1774 58.900 58.091 0.809 1
1 113 . 8 1 1 A 11 11 GLN N N 1774 118.893 119.865 -0.972 1
1 115 . 8 1 1 A 12 12 ARG H H 1775 8.272 7.794 0.478 1
1 116 . 8 1 1 A 12 12 ARG HA H 1775 4.168 4.063 0.105 1
1 123 . 8 1 1 A 12 12 ARG CA C 1775 57.730 59.544 -1.814 1
1 126 . 8 1 1 A 12 12 ARG N N 1775 119.560 119.183 0.377 1
1 127 . 8 1 1 A 13 13 CYS HA H 1776 4.176 4.138 0.038 1
1 130 . 8 1 1 A 13 13 CYS CA C 1776 63.610 62.196 1.414 1
1 131 . 8 1 1 A 13 13 CYS CB C 1776 26.965 27.463 -0.498 1
1 132 . 8 1 1 A 14 14 ILE H H 1777 8.597 8.099 0.498 1
1 133 . 8 1 1 A 14 14 ILE HA H 1777 3.735 3.702 0.033 1
1 143 . 8 1 1 A 14 14 ILE CA C 1777 65.220 65.018 0.202 1
1 144 . 8 1 1 A 14 14 ILE CB C 1777 37.320 37.132 0.188 1
1 148 . 8 1 1 A 14 14 ILE N N 1777 120.174 120.714 -0.540 1
1 149 . 8 1 1 A 15 15 GLN H H 1778 8.105 8.082 0.023 1
1 150 . 8 1 1 A 15 15 GLN HA H 1778 4.700 4.041 0.659 1
1 157 . 8 1 1 A 15 15 GLN CA C 1778 59.139 59.003 0.136 1
1 158 . 8 1 1 A 15 15 GLN CB C 1778 28.377 28.736 -0.359 1
1 160 . 8 1 1 A 15 15 GLN N N 1778 119.677 120.345 -0.668 1
1 162 . 8 1 1 A 16 16 SER H H 1779 8.115 7.608 0.507 1
1 163 . 8 1 1 A 16 16 SER HA H 1779 4.407 4.125 0.282 1
1 166 . 8 1 1 A 16 16 SER CA C 1779 61.963 62.599 -0.636 1
1 167 . 8 1 1 A 16 16 SER CB C 1779 63.425 62.857 0.568 1
1 168 . 8 1 1 A 16 16 SER N N 1779 116.542 116.480 0.062 1
1 169 . 8 1 1 A 17 17 LEU H H 1780 8.496 7.990 0.506 1
1 170 . 8 1 1 A 17 17 LEU HA H 1780 3.970 4.026 -0.056 1
1 180 . 8 1 1 A 17 17 LEU CA C 1780 58.286 58.411 -0.125 1
1 181 . 8 1 1 A 17 17 LEU CB C 1780 42.262 41.962 0.300 1
1 185 . 8 1 1 A 17 17 LEU N N 1780 124.870 123.231 1.639 1
1 186 . 8 1 1 A 18 18 VAL H H 1781 8.540 8.125 0.415 1
1 187 . 8 1 1 A 18 18 VAL HA H 1781 3.246 3.522 -0.276 1
1 195 . 8 1 1 A 18 18 VAL CA C 1781 66.905 66.799 0.106 1
1 196 . 8 1 1 A 18 18 VAL CB C 1781 31.672 31.664 0.008 1
1 199 . 8 1 1 A 18 18 VAL N N 1781 119.345 119.139 0.206 1
1 200 . 8 1 1 A 19 19 HIS H H 1782 7.944 8.258 -0.314 1
1 201 . 8 1 1 A 19 19 HIS HA H 1782 4.191 4.079 0.112 1
1 206 . 8 1 1 A 19 19 HIS CA C 1782 59.845 60.222 -0.377 1
1 207 . 8 1 1 A 19 19 HIS CB C 1782 26.965 29.760 -2.795 1
1 210 . 8 1 1 A 19 19 HIS N N 1782 116.521 119.088 -2.567 1
1 211 . 8 1 1 A 20 20 ALA H H 1783 9.830 8.472 1.358 1
1 212 . 8 1 1 A 20 20 ALA HA H 1783 4.367 4.073 0.294 1
1 216 . 8 1 1 A 20 20 ALA CA C 1783 55.191 55.059 0.132 1
1 217 . 8 1 1 A 20 20 ALA CB C 1783 20.695 18.333 2.362 1
1 218 . 8 1 1 A 20 20 ALA N N 1783 121.753 120.475 1.278 1
1 219 . 8 1 1 A 21 21 CYS H H 1784 7.913 7.605 0.308 1
1 220 . 8 1 1 A 21 21 CYS HA H 1784 4.236 4.386 -0.150 1
1 223 . 8 1 1 A 21 21 CYS CA C 1784 61.963 60.411 1.552 1
1 224 . 8 1 1 A 21 21 CYS CB C 1784 26.965 26.876 0.089 1
1 225 . 8 1 1 A 21 21 CYS N N 1784 112.237 115.406 -3.169 1
1 226 . 8 1 1 A 22 22 GLN H H 1785 7.320 8.011 -0.691 1
1 227 . 8 1 1 A 22 22 GLN HA H 1785 4.475 4.429 0.046 1
1 234 . 8 1 1 A 22 22 GLN CA C 1785 54.970 55.228 -0.258 1
1 235 . 8 1 1 A 22 22 GLN CB C 1785 30.731 29.724 1.007 1
1 237 . 8 1 1 A 22 22 GLN N N 1785 115.939 115.384 0.555 1
1 239 . 8 1 1 A 23 23 CYS H H 1786 7.268 7.451 -0.183 1
1 240 . 8 1 1 A 23 23 CYS HA H 1786 3.898 4.091 -0.193 1
1 243 . 8 1 1 A 23 23 CYS CA C 1786 60.800 60.187 0.613 1
1 244 . 8 1 1 A 23 23 CYS CB C 1786 28.848 28.798 0.050 1
1 245 . 8 1 1 A 23 23 CYS N N 1786 124.452 119.917 4.535 1
1 246 . 8 1 1 A 24 24 ARG H H 1787 8.854 8.861 -0.007 1
1 247 . 8 1 1 A 24 24 ARG HA H 1787 4.539 4.274 0.265 1
1 254 . 8 1 1 A 24 24 ARG CA C 1787 54.735 57.624 -2.889 1
1 255 . 8 1 1 A 24 24 ARG CB C 1787 30.250 30.639 -0.389 1
1 258 . 8 1 1 A 24 24 ARG N N 1787 130.523 127.073 3.450 1
1 259 . 8 1 1 A 25 25 ASN H H 1788 7.553 7.753 -0.200 1
1 260 . 8 1 1 A 25 25 ASN HA H 1788 4.799 5.002 -0.203 1
1 265 . 8 1 1 A 25 25 ASN CA C 1788 51.911 51.881 0.030 1
1 266 . 8 1 1 A 25 25 ASN CB C 1788 39.203 40.519 -1.316 1
1 267 . 8 1 1 A 25 25 ASN N N 1788 119.613 118.056 1.557 1
1 269 . 8 1 1 A 26 26 ALA H H 1789 9.185 9.118 0.067 1
1 270 . 8 1 1 A 26 26 ALA HA H 1789 4.740 4.040 0.700 1
1 274 . 8 1 1 A 26 26 ALA CA C 1789 54.264 54.756 -0.492 1
1 275 . 8 1 1 A 26 26 ALA CB C 1789 18.796 18.471 0.325 1
1 276 . 8 1 1 A 26 26 ALA N N 1789 130.841 128.915 1.926 1
1 277 . 8 1 1 A 27 27 ASN H H 1790 8.520 7.746 0.774 1
1 278 . 8 1 1 A 27 27 ASN HA H 1790 4.761 4.887 -0.126 1
1 283 . 8 1 1 A 27 27 ASN CA C 1790 51.911 53.528 -1.617 1
1 284 . 8 1 1 A 27 27 ASN CB C 1790 38.967 39.108 -0.141 1
1 285 . 8 1 1 A 27 27 ASN N N 1790 113.345 113.777 -0.432 1
1 287 . 8 1 1 A 28 28 CYS H H 1791 7.224 7.242 -0.018 1
1 288 . 8 1 1 A 28 28 CYS HA H 1791 4.950 4.315 0.635 1
1 291 . 8 1 1 A 28 28 CYS CA C 1791 61.257 60.213 1.044 1
1 292 . 8 1 1 A 28 28 CYS CB C 1791 30.495 28.964 1.531 1
1 293 . 8 1 1 A 28 28 CYS N N 1791 123.463 120.537 2.926 1
1 294 . 8 1 1 A 29 29 SER H H 1792 8.811 8.869 -0.058 1
1 295 . 8 1 1 A 29 29 SER HA H 1792 4.449 4.510 -0.061 1
1 298 . 8 1 1 A 29 29 SER CA C 1792 57.492 59.717 -2.225 1
1 299 . 8 1 1 A 29 29 SER CB C 1792 63.835 63.836 -0.001 1
1 300 . 8 1 1 A 29 29 SER N N 1792 125.781 120.870 4.911 1
1 301 . 8 1 1 A 30 30 LEU H H 1793 7.851 7.348 0.503 1
1 302 . 8 1 1 A 30 30 LEU HA H 1793 4.507 4.457 0.050 1
1 312 . 8 1 1 A 30 30 LEU CA C 1793 53.558 52.966 0.592 1
1 313 . 8 1 1 A 30 30 LEU CB C 1793 42.270 43.307 -1.037 1
1 317 . 8 1 1 A 30 30 LEU N N 1793 125.656 123.177 2.479 1
1 318 . 8 1 1 A 31 31 PRO HA H 1794 4.363 4.272 0.091 1
1 325 . 8 1 1 A 31 31 PRO CA C 1794 64.787 65.159 -0.372 1
1 326 . 8 1 1 A 31 31 PRO CB C 1794 32.708 31.781 0.927 1
1 329 . 8 1 1 A 32 32 SER H H 1795 8.625 8.222 0.403 1
1 330 . 8 1 1 A 32 32 SER HA H 1795 4.309 4.140 0.169 1
1 332 . 8 1 1 A 32 32 SER CA C 1795 60.124 61.563 -1.439 1
1 333 . 8 1 1 A 32 32 SER CB C 1795 62.982 62.510 0.472 1
1 334 . 8 1 1 A 32 32 SER N N 1795 112.707 112.575 0.132 1
1 335 . 8 1 1 A 33 33 CYS H H 1796 6.679 8.044 -1.365 1
1 336 . 8 1 1 A 33 33 CYS HA H 1796 4.108 3.986 0.122 1
1 339 . 8 1 1 A 33 33 CYS CA C 1796 62.669 62.698 -0.029 1
1 340 . 8 1 1 A 33 33 CYS CB C 1796 30.495 26.656 3.839 1
1 341 . 8 1 1 A 33 33 CYS N N 1796 126.200 121.115 5.085 1
1 342 . 8 1 1 A 34 34 GLN H H 1797 7.870 8.104 -0.234 1
1 343 . 8 1 1 A 34 34 GLN HA H 1797 3.867 3.906 -0.039 1
1 350 . 8 1 1 A 34 34 GLN CA C 1797 59.140 59.261 -0.121 1
1 351 . 8 1 1 A 34 34 GLN CB C 1797 31.360 28.122 3.238 1
1 353 . 8 1 1 A 34 34 GLN N N 1797 115.529 119.794 -4.265 1
1 355 . 8 1 1 A 35 35 LYS H H 1798 8.340 8.095 0.245 1
1 356 . 8 1 1 A 35 35 LYS HA H 1798 4.240 4.049 0.191 1
1 365 . 8 1 1 A 35 35 LYS CA C 1798 58.904 59.227 -0.323 1
1 366 . 8 1 1 A 35 35 LYS CB C 1798 32.686 32.019 0.667 1
1 370 . 8 1 1 A 35 35 LYS N N 1798 117.144 119.508 -2.364 1
1 371 . 8 1 1 A 36 36 MET H H 1799 8.163 8.053 0.110 1
1 372 . 8 1 1 A 36 36 MET HA H 1799 4.369 4.140 0.229 1
1 380 . 8 1 1 A 36 36 MET CA C 1799 56.474 58.401 -1.927 1
1 381 . 8 1 1 A 36 36 MET CB C 1799 31.110 31.955 -0.845 1
1 384 . 8 1 1 A 36 36 MET N N 1799 117.485 119.213 -1.728 1
1 385 . 8 1 1 A 37 37 LYS H H 1800 9.337 8.178 1.159 1
1 386 . 8 1 1 A 37 37 LYS HA H 1800 3.840 3.972 -0.132 1
1 395 . 8 1 1 A 37 37 LYS CA C 1800 61.200 60.028 1.172 1
1 396 . 8 1 1 A 37 37 LYS CB C 1800 32.691 32.277 0.414 1
1 400 . 8 1 1 A 37 37 LYS N N 1800 120.830 119.132 1.698 1
1 401 . 8 1 1 A 38 38 ARG H H 1801 7.399 7.462 -0.063 1
1 402 . 8 1 1 A 38 38 ARG HA H 1801 4.490 4.036 0.454 1
1 409 . 8 1 1 A 38 38 ARG CA C 1801 59.263 59.487 -0.224 1
1 410 . 8 1 1 A 38 38 ARG CB C 1801 31.179 30.054 1.125 1
1 413 . 8 1 1 A 38 38 ARG N N 1801 118.965 119.577 -0.612 1
1 414 . 8 1 1 A 39 39 VAL H H 1802 8.420 7.836 0.584 1
1 415 . 8 1 1 A 39 39 VAL HA H 1802 3.239 3.821 -0.582 1
1 423 . 8 1 1 A 39 39 VAL CA C 1802 67.140 65.451 1.689 1
1 424 . 8 1 1 A 39 39 VAL CB C 1802 31.685 31.451 0.234 1
1 427 . 8 1 1 A 39 39 VAL N N 1802 123.140 115.675 7.465 1
1 428 . 8 1 1 A 40 40 VAL H H 1803 8.195 8.114 0.081 1
1 429 . 8 1 1 A 40 40 VAL HA H 1803 3.403 3.621 -0.218 1
1 437 . 8 1 1 A 40 40 VAL CA C 1803 66.905 66.658 0.247 1
1 438 . 8 1 1 A 40 40 VAL CB C 1803 31.907 31.412 0.495 1
1 441 . 8 1 1 A 40 40 VAL N N 1803 118.716 121.358 -2.642 1
1 442 . 8 1 1 A 41 41 GLN H H 1804 8.310 8.302 0.008 1
1 443 . 8 1 1 A 41 41 GLN HA H 1804 3.916 4.079 -0.163 1
1 450 . 8 1 1 A 41 41 GLN CA C 1804 58.591 58.909 -0.318 1
1 451 . 8 1 1 A 41 41 GLN CB C 1804 28.561 28.509 0.052 1
1 453 . 8 1 1 A 41 41 GLN N N 1804 119.193 118.659 0.534 1
1 455 . 8 1 1 A 42 42 HIS H H 1805 8.152 7.909 0.243 1
1 456 . 8 1 1 A 42 42 HIS HA H 1805 4.222 4.342 -0.120 1
1 461 . 8 1 1 A 42 42 HIS CA C 1805 59.139 59.425 -0.286 1
1 462 . 8 1 1 A 42 42 HIS CB C 1805 27.201 30.420 -3.219 1
1 465 . 8 1 1 A 42 42 HIS N N 1805 118.579 121.732 -3.153 1
1 466 . 8 1 1 A 43 43 THR H H 1806 7.997 8.483 -0.486 1
1 467 . 8 1 1 A 43 43 THR HA H 1806 3.888 4.093 -0.205 1
1 473 . 8 1 1 A 43 43 THR CA C 1806 65.728 65.427 0.301 1
1 474 . 8 1 1 A 43 43 THR CB C 1806 69.023 69.017 0.006 1
1 476 . 8 1 1 A 43 43 THR N N 1806 113.599 113.779 -0.180 1
1 477 . 8 1 1 A 44 44 LYS H H 1807 7.381 8.697 -1.316 1
1 478 . 8 1 1 A 44 44 LYS HA H 1807 4.190 4.214 -0.024 1
1 487 . 8 1 1 A 44 44 LYS CA C 1807 58.668 58.115 0.553 1
1 488 . 8 1 1 A 44 44 LYS CB C 1807 32.731 31.328 1.403 1
1 492 . 8 1 1 A 44 44 LYS N N 1807 120.270 119.799 0.471 1
1 493 . 8 1 1 A 45 45 GLY H H 1808 7.610 7.876 -0.266 1
1 494 . 8 1 1 A 45 45 GLY HA2 H 1808 3.610 3.960 -0.350 1
1 495 . 8 1 1 A 45 45 GLY HA3 H 1808 4.380 3.980 0.400 1
1 496 . 8 1 1 A 45 45 GLY CA C 1808 44.851 45.253 -0.402 1
1 497 . 8 1 1 A 45 45 GLY N N 1808 125.480 106.612 18.868 1
1 498 . 8 1 1 A 46 46 CYS H H 1809 6.898 7.494 -0.596 1
1 499 . 8 1 1 A 46 46 CYS HA H 1809 3.957 4.375 -0.418 1
1 502 . 8 1 1 A 46 46 CYS CA C 1809 60.551 58.896 1.655 1
1 503 . 8 1 1 A 46 46 CYS CB C 1809 30.260 28.716 1.544 1
1 504 . 8 1 1 A 46 46 CYS N N 1809 123.457 120.145 3.312 1
1 505 . 8 1 1 A 47 47 LYS HA H 1810 4.471 4.602 -0.131 1
1 514 . 8 1 1 A 47 47 LYS CA C 1810 56.800 55.754 1.046 1
1 515 . 8 1 1 A 47 47 LYS CB C 1810 33.840 33.918 -0.078 1
1 518 . 8 1 1 A 48 48 ARG H H 1811 8.575 7.102 1.473 1
1 519 . 8 1 1 A 48 48 ARG HA H 1811 4.366 4.813 -0.447 1
1 526 . 8 1 1 A 48 48 ARG CA C 1811 57.256 54.591 2.665 1
1 527 . 8 1 1 A 48 48 ARG CB C 1811 32.143 33.339 -1.196 1
1 530 . 8 1 1 A 48 48 ARG N N 1811 122.731 120.697 2.034 1
1 531 . 8 1 1 A 49 49 LYS H H 1812 8.663 8.708 -0.045 1
1 532 . 8 1 1 A 49 49 LYS HA H 1812 4.521 4.605 -0.084 1
1 539 . 8 1 1 A 49 49 LYS CA C 1812 57.256 55.528 1.728 1
1 540 . 8 1 1 A 49 49 LYS CB C 1812 32.378 35.963 -3.585 1
1 543 . 8 1 1 A 49 49 LYS N N 1812 118.409 122.547 -4.138 1
1 544 . 8 1 1 A 50 50 THR HA H 1813 4.710 3.946 0.764 1
1 549 . 8 1 1 A 50 50 THR CA C 1813 63.846 66.110 -2.264 1
1 550 . 8 1 1 A 50 50 THR CB C 1813 68.317 68.563 -0.246 1
1 552 . 8 1 1 A 51 51 ASN HA H 1814 4.676 4.391 0.285 1
1 557 . 8 1 1 A 51 51 ASN CA C 1814 82.908 56.299 26.609 1
1 558 . 8 1 1 A 51 51 ASN CB C 1814 38.732 38.666 0.066 1
1 560 . 8 1 1 A 52 52 GLY H H 1815 7.879 7.646 0.233 1
1 561 . 8 1 1 A 52 52 GLY HA2 H 1815 4.300 3.924 0.376 1
1 562 . 8 1 1 A 52 52 GLY HA3 H 1815 3.831 3.927 -0.096 1
1 563 . 8 1 1 A 52 52 GLY CA C 1815 45.557 45.530 0.027 1
1 564 . 8 1 1 A 52 52 GLY N N 1815 129.890 105.662 24.228 1
1 565 . 8 1 1 A 53 53 GLY H H 1816 7.765 7.875 -0.110 1
1 566 . 8 1 1 A 53 53 GLY HA2 H 1816 3.885 3.998 -0.113 1
1 567 . 8 1 1 A 53 53 GLY HA3 H 1816 3.985 4.002 -0.017 1
1 568 . 8 1 1 A 53 53 GLY CA C 1816 45.792 45.215 0.577 1
1 569 . 8 1 1 A 53 53 GLY N N 1816 128.949 107.467 21.482 1
1 570 . 8 1 1 A 54 54 CYS H H 1817 8.800 7.804 0.996 1
1 571 . 8 1 1 A 54 54 CYS HA H 1817 4.821 4.628 0.193 1
1 574 . 8 1 1 A 54 54 CYS CA C 1817 55.138 57.329 -2.191 1
1 575 . 8 1 1 A 54 54 CYS CB C 1817 30.966 28.688 2.278 1
1 576 . 8 1 1 A 54 54 CYS N N 1817 122.429 119.323 3.106 1
1 577 . 8 1 1 A 55 55 PRO HA H 1818 4.330 4.339 -0.009 1
1 584 . 8 1 1 A 55 55 PRO CA C 1818 64.787 65.619 -0.832 1
1 585 . 8 1 1 A 55 55 PRO CB C 1818 32.613 31.721 0.892 1
1 588 . 8 1 1 A 56 56 VAL H H 1819 7.750 7.443 0.307 1
1 589 . 8 1 1 A 56 56 VAL HA H 1819 3.884 3.545 0.339 1
1 597 . 8 1 1 A 56 56 VAL CA C 1819 65.728 66.181 -0.453 1
1 598 . 8 1 1 A 56 56 VAL CB C 1819 32.849 31.086 1.763 1
1 601 . 8 1 1 A 56 56 VAL N N 1819 121.605 115.168 6.437 1
1 602 . 8 1 1 A 57 57 CYS H H 1820 8.884 8.068 0.816 1
1 603 . 8 1 1 A 57 57 CYS HA H 1820 4.106 3.911 0.195 1
1 606 . 8 1 1 A 57 57 CYS CA C 1820 65.728 63.733 1.995 1
1 607 . 8 1 1 A 57 57 CYS CB C 1820 30.250 27.001 3.249 1
1 608 . 8 1 1 A 57 57 CYS N N 1820 124.260 117.473 6.787 1
1 609 . 8 1 1 A 58 58 LYS H H 1821 8.133 7.958 0.175 1
1 610 . 8 1 1 A 58 58 LYS HA H 1821 3.942 3.826 0.116 1
1 619 . 8 1 1 A 58 58 LYS CA C 1821 59.610 59.628 -0.018 1
1 620 . 8 1 1 A 58 58 LYS CB C 1821 32.849 32.306 0.543 1
1 624 . 8 1 1 A 58 58 LYS N N 1821 117.129 121.444 -4.315 1
1 625 . 8 1 1 A 59 59 GLN H H 1822 7.318 7.692 -0.374 1
1 626 . 8 1 1 A 59 59 GLN HA H 1822 4.357 4.003 0.354 1
1 632 . 8 1 1 A 59 59 GLN N N 1822 117.943 117.975 -0.032 1
1 633 . 8 1 1 A 60 60 LEU H H 1823 8.667 7.648 1.019 1
1 634 . 8 1 1 A 60 60 LEU HA H 1823 4.950 4.065 0.885 1
1 647 . 8 1 1 A 60 60 LEU N N 1823 120.670 120.556 0.114 1
1 648 . 8 1 1 A 61 61 ILE H H 1824 8.780 8.323 0.457 1
1 649 . 8 1 1 A 61 61 ILE HA H 1824 3.614 3.615 -0.001 1
1 659 . 8 1 1 A 61 61 ILE CA C 1824 64.787 65.524 -0.737 1
1 660 . 8 1 1 A 61 61 ILE CB C 1824 37.320 37.264 0.056 1
1 664 . 8 1 1 A 61 61 ILE N N 1824 119.837 118.751 1.086 1
1 665 . 8 1 1 A 62 62 ALA H H 1825 7.675 8.192 -0.517 1
1 666 . 8 1 1 A 62 62 ALA HA H 1825 4.112 4.082 0.030 1
1 670 . 8 1 1 A 62 62 ALA CA C 1825 55.374 55.307 0.067 1
1 671 . 8 1 1 A 62 62 ALA CB C 1825 18.560 18.116 0.444 1
1 672 . 8 1 1 A 62 62 ALA N N 1825 122.779 122.063 0.716 1
1 673 . 8 1 1 A 63 63 LEU H H 1826 7.983 7.763 0.220 1
1 674 . 8 1 1 A 63 63 LEU HA H 1826 4.114 4.053 0.061 1
1 684 . 8 1 1 A 63 63 LEU CA C 1826 58.334 58.098 0.236 1
1 685 . 8 1 1 A 63 63 LEU CB C 1826 42.821 41.548 1.273 1
1 689 . 8 1 1 A 63 63 LEU N N 1826 118.291 117.991 0.300 1
1 690 . 8 1 1 A 64 64 CYS H H 1827 8.663 8.513 0.150 1
1 691 . 8 1 1 A 64 64 CYS HA H 1827 4.350 4.221 0.129 1
1 694 . 8 1 1 A 64 64 CYS CA C 1827 64.800 62.663 2.137 1
1 695 . 8 1 1 A 64 64 CYS CB C 1827 26.495 26.055 0.440 1
1 696 . 8 1 1 A 64 64 CYS N N 1827 118.409 117.415 0.994 1
1 697 . 8 1 1 A 65 65 CYS H H 1828 8.672 8.492 0.180 1
1 698 . 8 1 1 A 65 65 CYS HA H 1828 4.152 4.049 0.103 1
1 701 . 8 1 1 A 65 65 CYS CA C 1828 63.547 63.171 0.376 1
1 702 . 8 1 1 A 65 65 CYS CB C 1828 26.495 26.254 0.241 1
1 703 . 8 1 1 A 65 65 CYS N N 1828 118.996 122.013 -3.017 1
1 704 . 8 1 1 A 66 66 TYR H H 1829 7.837 8.569 -0.732 1
1 705 . 8 1 1 A 66 66 TYR HA H 1829 4.199 4.220 -0.021 1
1 712 . 8 1 1 A 66 66 TYR CA C 1829 61.220 61.849 -0.629 1
1 713 . 8 1 1 A 66 66 TYR CB C 1829 38.261 38.409 -0.148 1
1 716 . 8 1 1 A 66 66 TYR N N 1829 120.650 122.234 -1.584 1
1 717 . 8 1 1 A 67 67 HIS H H 1830 8.323 8.489 -0.166 1
1 718 . 8 1 1 A 67 67 HIS HA H 1830 4.341 4.375 -0.034 1
1 723 . 8 1 1 A 67 67 HIS CA C 1830 58.668 60.415 -1.747 1
1 724 . 8 1 1 A 67 67 HIS CB C 1830 27.907 29.966 -2.059 1
1 727 . 8 1 1 A 67 67 HIS N N 1830 117.149 119.571 -2.422 1
1 728 . 8 1 1 A 68 68 ALA H H 1831 8.693 8.526 0.167 1
1 729 . 8 1 1 A 68 68 ALA HA H 1831 4.250 4.039 0.211 1
1 733 . 8 1 1 A 68 68 ALA CA C 1831 55.205 55.362 -0.157 1
1 734 . 8 1 1 A 68 68 ALA CB C 1831 20.695 18.505 2.190 1
1 735 . 8 1 1 A 68 68 ALA N N 1831 121.519 120.881 0.638 1
1 736 . 8 1 1 A 69 69 LYS H H 1832 7.126 8.154 -1.028 1
1 737 . 8 1 1 A 69 69 LYS HA H 1832 3.737 4.045 -0.308 1
1 746 . 8 1 1 A 69 69 LYS CA C 1832 57.962 59.497 -1.535 1
1 747 . 8 1 1 A 69 69 LYS CB C 1832 32.613 31.734 0.879 1
1 751 . 8 1 1 A 69 69 LYS N N 1832 114.376 119.004 -4.628 1
1 752 . 8 1 1 A 70 70 HIS H H 1833 6.884 7.318 -0.434 1
1 753 . 8 1 1 A 70 70 HIS HA H 1833 4.711 4.384 0.327 1
1 758 . 8 1 1 A 70 70 HIS CA C 1833 54.970 57.815 -2.845 1
1 759 . 8 1 1 A 70 70 HIS CB C 1833 31.201 30.983 0.218 1
1 762 . 8 1 1 A 70 70 HIS N N 1833 113.369 114.465 -1.096 1
1 763 . 8 1 1 A 71 71 CYS H H 1834 6.969 7.457 -0.488 1
1 764 . 8 1 1 A 71 71 CYS HA H 1834 4.210 4.250 -0.040 1
1 767 . 8 1 1 A 71 71 CYS CA C 1834 60.800 60.002 0.798 1
1 768 . 8 1 1 A 71 71 CYS CB C 1834 30.250 27.943 2.307 1
1 769 . 8 1 1 A 71 71 CYS N N 1834 123.813 118.137 5.676 1
1 770 . 8 1 1 A 72 72 GLN H H 1835 9.101 8.812 0.289 1
1 771 . 8 1 1 A 72 72 GLN HA H 1835 4.646 4.591 0.055 1
1 778 . 8 1 1 A 72 72 GLN CA C 1835 54.735 55.497 -0.762 1
1 779 . 8 1 1 A 72 72 GLN CB C 1835 29.319 30.260 -0.941 1
1 781 . 8 1 1 A 72 72 GLN N N 1835 128.430 122.617 5.813 1
1 783 . 8 1 1 A 73 73 GLU H H 1836 8.331 7.278 1.053 1
1 784 . 8 1 1 A 73 73 GLU HA H 1836 4.365 4.291 0.074 1
1 788 . 8 1 1 A 73 73 GLU CA C 1836 55.374 56.801 -1.427 1
1 789 . 8 1 1 A 73 73 GLU CB C 1836 30.731 31.205 -0.474 1
1 791 . 8 1 1 A 73 73 GLU N N 1836 123.251 122.963 0.288 1
1 792 . 8 1 1 A 74 74 ASN HA H 1837 4.512 4.507 0.005 1
1 797 . 8 1 1 A 74 74 ASN CA C 1837 54.970 55.428 -0.458 1
1 798 . 8 1 1 A 74 74 ASN CB C 1837 38.732 38.306 0.426 1
1 800 . 8 1 1 A 75 75 LYS H H 1838 8.779 7.959 0.820 1
1 801 . 8 1 1 A 75 75 LYS HA H 1838 4.424 4.525 -0.101 1
1 810 . 8 1 1 A 75 75 LYS CA C 1838 54.735 55.016 -0.281 1
1 811 . 8 1 1 A 75 75 LYS CB C 1838 30.966 32.754 -1.788 1
1 815 . 8 1 1 A 75 75 LYS N N 1838 121.350 115.998 5.352 1
1 816 . 8 1 1 A 76 76 CYS H H 1839 7.590 7.378 0.212 1
1 817 . 8 1 1 A 76 76 CYS HA H 1839 4.361 4.461 -0.100 1
1 820 . 8 1 1 A 76 76 CYS CA C 1839 57.256 57.650 -0.394 1
1 821 . 8 1 1 A 76 76 CYS CB C 1839 30.731 28.157 2.574 1
1 822 . 8 1 1 A 76 76 CYS N N 1839 124.209 121.038 3.171 1
1 823 . 8 1 1 A 77 77 PRO HA H 1840 4.651 4.388 0.263 1
1 830 . 8 1 1 A 77 77 PRO CA C 1840 62.669 64.398 -1.729 1
1 831 . 8 1 1 A 77 77 PRO CB C 1840 32.849 31.952 0.897 1
1 834 . 8 1 1 A 78 78 VAL H H 1841 8.962 7.683 1.279 1
1 835 . 8 1 1 A 78 78 VAL HA H 1841 4.199 4.122 0.077 1
1 843 . 8 1 1 A 78 78 VAL CA C 1841 61.257 61.027 0.230 1
1 844 . 8 1 1 A 78 78 VAL CB C 1841 31.672 32.084 -0.412 1
1 847 . 8 1 1 A 78 78 VAL N N 1841 128.606 119.513 9.093 1
1 848 . 8 1 1 A 79 79 PRO HA H 1842 3.936 4.165 -0.229 1
1 855 . 8 1 1 A 79 79 PRO CA C 1842 63.846 65.387 -1.541 1
1 856 . 8 1 1 A 79 79 PRO CB C 1842 30.731 31.434 -0.703 1
1 859 . 8 1 1 A 80 80 PHE HA H 1843 4.255 4.216 0.039 1
1 866 . 8 1 1 A 80 80 PHE CA C 1843 59.374 60.450 -1.076 1
1 867 . 8 1 1 A 80 80 PHE CB C 1843 37.791 37.892 -0.101 1
1 870 . 8 1 1 A 81 81 CYS H H 1844 7.660 8.329 -0.669 1
1 871 . 8 1 1 A 81 81 CYS HA H 1844 3.997 4.211 -0.214 1
1 874 . 8 1 1 A 81 81 CYS CA C 1844 64.552 62.559 1.993 1
1 875 . 8 1 1 A 81 81 CYS CB C 1844 30.495 27.293 3.202 1
1 876 . 8 1 1 A 81 81 CYS N N 1844 124.104 118.478 5.626 1
1 877 . 8 1 1 A 82 82 LEU H H 1845 8.170 8.369 -0.199 1
1 878 . 8 1 1 A 82 82 LEU HA H 1845 3.988 4.018 -0.030 1
1 888 . 8 1 1 A 82 82 LEU CA C 1845 57.962 58.178 -0.216 1
1 889 . 8 1 1 A 82 82 LEU CB C 1845 41.321 41.528 -0.207 1
1 893 . 8 1 1 A 82 82 LEU N N 1845 115.950 120.998 -5.048 1
1 894 . 8 1 1 A 83 83 ASN H H 1846 7.826 8.273 -0.447 1
1 895 . 8 1 1 A 83 83 ASN HA H 1846 4.447 4.430 0.017 1
1 900 . 8 1 1 A 83 83 ASN CA C 1846 56.800 56.955 -0.155 1
1 901 . 8 1 1 A 83 83 ASN CB C 1846 38.967 39.190 -0.223 1
1 902 . 8 1 1 A 83 83 ASN N N 1846 116.117 117.609 -1.492 1
1 904 . 8 1 1 A 84 84 ILE H H 1847 8.607 8.316 0.291 1
1 905 . 8 1 1 A 84 84 ILE HA H 1847 3.718 3.590 0.128 1
1 915 . 8 1 1 A 84 84 ILE CA C 1847 64.787 65.533 -0.746 1
1 916 . 8 1 1 A 84 84 ILE CB C 1847 38.497 37.934 0.563 1
1 920 . 8 1 1 A 84 84 ILE N N 1847 121.553 119.521 2.032 1
1 921 . 8 1 1 A 85 85 LYS H H 1848 8.855 8.060 0.795 1
1 922 . 8 1 1 A 85 85 LYS HA H 1848 3.859 3.953 -0.094 1
1 931 . 8 1 1 A 85 85 LYS CA C 1848 60.551 59.388 1.163 1
1 932 . 8 1 1 A 85 85 LYS CB C 1848 32.613 32.402 0.211 1
1 936 . 8 1 1 A 85 85 LYS N N 1848 119.992 118.944 1.048 1
1 937 . 8 1 1 A 86 86 HIS H H 1849 8.100 8.137 -0.037 1
1 938 . 8 1 1 A 86 86 HIS HA H 1849 4.411 4.239 0.172 1
1 943 . 8 1 1 A 86 86 HIS CA C 1849 58.433 60.320 -1.887 1
1 944 . 8 1 1 A 86 86 HIS CB C 1849 30.495 29.659 0.836 1
1 947 . 8 1 1 A 86 86 HIS N N 1849 117.237 119.694 -2.457 1
1 948 . 8 1 1 A 87 87 LYS H H 1850 7.685 8.138 -0.453 1
1 949 . 8 1 1 A 87 87 LYS HA H 1850 4.128 3.880 0.248 1
1 958 . 8 1 1 A 87 87 LYS CA C 1850 57.727 59.303 -1.576 1
1 959 . 8 1 1 A 87 87 LYS CB C 1850 32.378 32.496 -0.118 1
1 963 . 8 1 1 A 87 87 LYS N N 1850 119.118 118.805 0.313 1
1 964 . 8 1 1 A 88 88 LEU H H 1851 8.230 8.723 -0.493 1
1 965 . 8 1 1 A 88 88 LEU HA H 1851 4.174 3.931 0.243 1
1 975 . 8 1 1 A 88 88 LEU CA C 1851 56.800 58.037 -1.237 1
1 976 . 8 1 1 A 88 88 LEU CB C 1851 42.262 41.782 0.480 1
1 980 . 8 1 1 A 88 88 LEU N N 1851 119.305 119.979 -0.674 1
1 981 . 8 1 1 A 89 89 ARG H H 1852 7.765 8.116 -0.351 1
1 982 . 8 1 1 A 89 89 ARG HA H 1852 4.245 4.145 0.100 1
1 989 . 8 1 1 A 89 89 ARG CA C 1852 56.550 58.903 -2.353 1
1 990 . 8 1 1 A 89 89 ARG CB C 1852 30.260 29.831 0.429 1
1 993 . 8 1 1 A 89 89 ARG N N 1852 118.302 119.449 -1.147 1
1 994 . 8 1 1 A 90 90 GLN H H 1853 7.851 7.688 0.163 1
1 995 . 8 1 1 A 90 90 GLN HA H 1853 4.262 4.166 0.096 1
1 1002 . 8 1 1 A 90 90 GLN CA C 1853 55.609 57.669 -2.060 1
1 1003 . 8 1 1 A 90 90 GLN CB C 1853 29.554 28.815 0.739 1
1 1005 . 8 1 1 A 90 90 GLN N N 1853 119.450 117.353 2.097 1
1 1007 . 8 1 1 A 91 91 GLN H H 1854 8.710 7.626 1.084 1
1 1008 . 8 1 1 A 91 91 GLN HA H 1854 4.317 4.200 0.117 1
1 1015 . 8 1 1 A 91 91 GLN CA C 1854 55.609 57.900 -2.291 1
1 1016 . 8 1 1 A 91 91 GLN CB C 1854 29.554 28.895 0.659 1
1 1018 . 8 1 1 A 91 91 GLN N N 1854 120.675 117.627 3.048 1
1 1038 . 8 2 2 B 2 2 HIS HA H 51 4.636 5.438 -0.802 1
1 1043 . 8 2 2 B 2 2 HIS CA C 51 55.844 53.604 2.240 1
1 1044 . 8 2 2 B 2 2 HIS CB C 51 30.495 32.956 -2.461 1
1 1047 . 8 2 2 B 3 3 MET H H 52 8.230 9.132 -0.902 1
1 1048 . 8 2 2 B 3 3 MET HA H 52 4.430 4.837 -0.407 1
1 1053 . 8 2 2 B 3 3 MET CA C 52 54.903 53.988 0.915 1
1 1054 . 8 2 2 B 3 3 MET CB C 52 33.840 37.708 -3.868 1
1 1056 . 8 2 2 B 3 3 MET N N 52 121.881 118.484 3.397 1
1 1057 . 8 2 2 B 4 4 ALA H H 53 8.269 8.575 -0.306 1
1 1058 . 8 2 2 B 4 4 ALA HA H 53 4.586 4.536 0.050 1
1 1062 . 8 2 2 B 4 4 ALA CA C 53 51.255 51.078 0.177 1
1 1063 . 8 2 2 B 4 4 ALA CB C 53 18.796 17.796 1.000 1
1 1064 . 8 2 2 B 4 4 ALA N N 53 126.758 123.801 2.957 1
1 1065 . 8 2 2 B 5 5 PRO HA H 54 4.705 4.598 0.107 1
1 1072 . 8 2 2 B 5 5 PRO CA C 54 61.257 62.226 -0.969 1
1 1073 . 8 2 2 B 5 5 PRO CB C 54 30.966 32.930 -1.964 1
1 1076 . 8 2 2 B 6 6 GLU H H 55 8.468 8.569 -0.101 1
1 1077 . 8 2 2 B 6 6 GLU HA H 55 4.150 5.135 -0.985 1
1 1082 . 8 2 2 B 6 6 GLU CA C 55 56.550 54.488 2.062 1
1 1083 . 8 2 2 B 6 6 GLU CB C 55 30.495 33.271 -2.776 1
1 1085 . 8 2 2 B 6 6 GLU N N 55 121.693 117.895 3.798 1
1 1086 . 8 2 2 B 7 7 ASP H H 56 8.574 8.606 -0.032 1
1 1087 . 8 2 2 B 7 7 ASP HA H 56 5.200 5.003 0.197 1
1 1090 . 8 2 2 B 7 7 ASP CA C 56 51.255 50.801 0.454 1
1 1091 . 8 2 2 B 7 7 ASP CB C 56 42.262 42.929 -0.667 1
1 1092 . 8 2 2 B 7 7 ASP N N 56 120.873 120.976 -0.103 1
1 1093 . 8 2 2 B 8 8 PRO HA H 57 4.465 4.345 0.120 1
1 1100 . 8 2 2 B 8 8 PRO CA C 57 63.610 65.135 -1.525 1
1 1101 . 8 2 2 B 8 8 PRO CB C 57 32.378 31.930 0.448 1
1 1104 . 8 2 2 B 9 9 ASN H H 58 8.301 8.503 -0.202 1
1 1105 . 8 2 2 B 9 9 ASN HA H 58 4.809 4.470 0.339 1
1 1110 . 8 2 2 B 9 9 ASN CA C 58 53.558 55.410 -1.852 1
1 1111 . 8 2 2 B 9 9 ASN CB C 58 38.497 37.714 0.783 1
1 1112 . 8 2 2 B 9 9 ASN N N 58 117.190 115.059 2.131 1
1 1114 . 8 2 2 B 10 10 GLU H H 59 7.366 8.657 -1.291 1
1 1115 . 8 2 2 B 10 10 GLU HA H 59 3.641 3.992 -0.351 1
1 1120 . 8 2 2 B 10 10 GLU CA C 59 60.800 58.797 2.003 1
1 1121 . 8 2 2 B 10 10 GLU CB C 59 29.554 28.727 0.827 1
1 1123 . 8 2 2 B 10 10 GLU N N 59 122.354 118.343 4.011 1
1 1124 . 8 2 2 B 11 11 GLU H H 60 8.618 8.240 0.378 1
1 1125 . 8 2 2 B 11 11 GLU HA H 60 3.933 4.041 -0.108 1
1 1130 . 8 2 2 B 11 11 GLU CA C 60 59.139 59.206 -0.067 1
1 1131 . 8 2 2 B 11 11 GLU CB C 60 29.830 29.245 0.585 1
1 1133 . 8 2 2 B 11 11 GLU N N 60 120.391 120.264 0.127 1
1 1134 . 8 2 2 B 12 12 ALA H H 61 8.280 7.618 0.662 1
1 1135 . 8 2 2 B 12 12 ALA HA H 61 4.180 4.030 0.150 1
1 1139 . 8 2 2 B 12 12 ALA CA C 61 55.205 54.889 0.316 1
1 1140 . 8 2 2 B 12 12 ALA CB C 61 20.695 18.512 2.183 1
1 1141 . 8 2 2 B 12 12 ALA N N 61 122.378 121.036 1.342 1
1 1142 . 8 2 2 B 13 13 VAL H H 62 7.773 7.480 0.293 1
1 1143 . 8 2 2 B 13 13 VAL HA H 62 3.974 3.172 0.802 1
1 1151 . 8 2 2 B 13 13 VAL CA C 62 66.199 66.561 -0.362 1
1 1152 . 8 2 2 B 13 13 VAL CB C 62 31.907 31.323 0.584 1
1 1155 . 8 2 2 B 13 13 VAL N N 62 116.653 118.892 -2.239 1
1 1156 . 8 2 2 B 14 14 SER H H 63 8.288 8.312 -0.024 1
1 1157 . 8 2 2 B 14 14 SER HA H 63 4.620 3.902 0.718 1
1 1160 . 8 2 2 B 14 14 SER CA C 63 60.786 61.519 -0.733 1
1 1161 . 8 2 2 B 14 14 SER CB C 63 62.434 62.935 -0.501 1
1 1162 . 8 2 2 B 14 14 SER N N 63 115.328 115.139 0.189 1
1 1163 . 8 2 2 B 15 15 GLN H H 64 7.775 7.892 -0.117 1
1 1164 . 8 2 2 B 15 15 GLN HA H 64 4.190 4.079 0.111 1
1 1171 . 8 2 2 B 15 15 GLN CA C 64 57.492 58.310 -0.818 1
1 1172 . 8 2 2 B 15 15 GLN CB C 64 28.613 27.358 1.255 1
1 1174 . 8 2 2 B 15 15 GLN N N 64 119.350 118.137 1.213 1
1 1176 . 8 2 2 B 16 16 ILE H H 65 7.217 7.402 -0.185 1
1 1177 . 8 2 2 B 16 16 ILE HA H 65 3.788 3.949 -0.161 1
1 1186 . 8 2 2 B 16 16 ILE CA C 65 61.492 63.353 -1.861 1
1 1187 . 8 2 2 B 16 16 ILE CB C 65 37.320 39.032 -1.712 1
1 1191 . 8 2 2 B 16 16 ILE N N 65 117.427 119.078 -1.651 1
1 1192 . 8 2 2 B 17 17 PHE H H 66 8.370 7.722 0.648 1
1 1193 . 8 2 2 B 17 17 PHE HA H 66 4.407 4.921 -0.514 1
1 1200 . 8 2 2 B 17 17 PHE CA C 66 55.374 54.837 0.537 1
1 1201 . 8 2 2 B 17 17 PHE CB C 66 42.270 40.087 2.183 1
1 1205 . 8 2 2 B 17 17 PHE N N 66 117.389 115.454 1.935 1
1 1206 . 8 2 2 B 18 18 PRO HA H 67 4.784 4.753 0.031 1
1 1213 . 8 2 2 B 18 18 PRO CA C 67 62.669 62.309 0.360 1
1 1214 . 8 2 2 B 18 18 PRO CB C 67 32.378 33.081 -0.703 1
1 1217 . 8 2 2 B 19 19 ASP H H 68 9.127 9.088 0.039 1
1 1218 . 8 2 2 B 19 19 ASP HA H 68 4.261 4.446 -0.185 1
1 1221 . 8 2 2 B 19 19 ASP CA C 68 57.927 56.918 1.009 1
1 1222 . 8 2 2 B 19 19 ASP CB C 68 40.451 40.459 -0.008 1
1 1223 . 8 2 2 B 19 19 ASP N N 68 123.618 123.066 0.552 1
1 1224 . 8 2 2 B 20 20 SER H H 69 8.624 8.064 0.560 1
1 1225 . 8 2 2 B 20 20 SER HA H 69 4.816 4.367 0.449 1
1 1226 . 8 2 2 B 20 20 SER N N 69 112.914 112.781 0.133 1
1 1227 . 8 2 2 B 21 21 VAL H H 70 7.380 7.727 -0.347 1
1 1228 . 8 2 2 B 21 21 VAL HA H 70 3.958 4.640 -0.682 1
1 1236 . 8 2 2 B 21 21 VAL CA C 70 64.316 58.894 5.422 1
1 1237 . 8 2 2 B 21 21 VAL CB C 70 32.378 35.892 -3.514 1
1 1240 . 8 2 2 B 21 21 VAL N N 70 123.280 115.512 7.768 1
1 1241 . 8 2 2 B 22 22 MET H H 71 7.638 8.648 -1.010 1
1 1242 . 8 2 2 B 22 22 MET HA H 71 4.266 4.532 -0.266 1
1 1248 . 8 2 2 B 22 22 MET CA C 71 55.844 53.942 1.902 1
1 1249 . 8 2 2 B 22 22 MET CB C 71 31.907 31.086 0.821 1
1 1251 . 8 2 2 B 22 22 MET N N 71 117.825 123.324 -5.499 1
1 1252 . 8 2 2 B 23 23 LEU H H 72 8.102 7.841 0.261 1
1 1253 . 8 2 2 B 23 23 LEU HA H 72 4.132 4.055 0.077 1
1 1263 . 8 2 2 B 23 23 LEU CA C 72 56.786 57.831 -1.045 1
1 1264 . 8 2 2 B 23 23 LEU CB C 72 42.270 42.089 0.181 1
1 1268 . 8 2 2 B 23 23 LEU N N 72 119.633 126.621 -6.988 1
1 1269 . 8 2 2 B 24 24 ALA H H 73 7.464 8.301 -0.837 1
1 1270 . 8 2 2 B 24 24 ALA HA H 73 4.197 4.208 -0.011 1
1 1274 . 8 2 2 B 24 24 ALA CA C 73 84.840 54.645 30.195 1
1 1275 . 8 2 2 B 24 24 ALA CB C 73 19.266 18.546 0.720 1
1 1276 . 8 2 2 B 24 24 ALA N N 73 120.682 121.090 -0.408 1
1 1277 . 8 2 2 B 25 25 VAL H H 74 7.668 7.904 -0.236 1
1 1278 . 8 2 2 B 25 25 VAL HA H 74 4.258 3.851 0.407 1
1 1286 . 8 2 2 B 25 25 VAL CA C 74 62.434 64.126 -1.692 1
1 1287 . 8 2 2 B 25 25 VAL CB C 74 31.672 31.585 0.087 1
1 1290 . 8 2 2 B 25 25 VAL N N 74 112.530 116.905 -4.375 1
1 1291 . 8 2 2 B 26 26 GLN H H 75 7.806 8.152 -0.346 1
1 1292 . 8 2 2 B 26 26 GLN HA H 75 4.308 4.598 -0.290 1
1 1299 . 8 2 2 B 26 26 GLN CA C 75 56.786 55.933 0.853 1
1 1300 . 8 2 2 B 26 26 GLN CB C 75 29.554 30.811 -1.257 1
1 1302 . 8 2 2 B 26 26 GLN N N 75 121.794 116.063 5.731 1
1 1304 . 8 2 2 B 27 27 GLU H H 76 8.340 7.951 0.389 1
1 1305 . 8 2 2 B 27 27 GLU HA H 76 4.349 4.306 0.043 1
1 1310 . 8 2 2 B 27 27 GLU CA C 76 56.315 56.824 -0.509 1
1 1311 . 8 2 2 B 27 27 GLU CB C 76 30.495 31.151 -0.656 1
1 1313 . 8 2 2 B 27 27 GLU N N 76 120.410 121.289 -0.879 1
1 1314 . 8 2 2 B 28 28 GLY H H 77 8.295 8.702 -0.407 1
1 1315 . 8 2 2 B 28 28 GLY HA2 H 77 3.938 4.234 -0.296 1
1 1316 . 8 2 2 B 28 28 GLY HA3 H 77 4.190 4.238 -0.048 1
1 1317 . 8 2 2 B 28 28 GLY CA C 77 45.792 44.950 0.842 1
1 1318 . 8 2 2 B 28 28 GLY N N 77 109.255 110.998 -1.743 1
1 1319 . 8 2 2 B 29 29 ILE H H 78 7.889 8.826 -0.937 1
1 1320 . 8 2 2 B 29 29 ILE HA H 78 4.166 4.118 0.048 1
1 1330 . 8 2 2 B 29 29 ILE CA C 78 60.786 61.710 -0.924 1
1 1331 . 8 2 2 B 29 29 ILE CB C 78 39.203 37.247 1.956 1
1 1335 . 8 2 2 B 29 29 ILE N N 78 119.126 127.376 -8.250 1
1 1336 . 8 2 2 B 30 30 ASP H H 79 8.442 8.913 -0.471 1
1 1337 . 8 2 2 B 30 30 ASP HA H 79 4.577 4.620 -0.043 1
1 1340 . 8 2 2 B 30 30 ASP CA C 79 55.255 53.970 1.285 1
1 1341 . 8 2 2 B 30 30 ASP CB C 79 41.850 39.752 2.098 1
1 1342 . 8 2 2 B 30 30 ASP N N 79 123.665 128.564 -4.899 1
1 1343 . 8 2 2 B 31 31 LEU H H 80 8.141 7.724 0.417 1
1 1344 . 8 2 2 B 31 31 LEU HA H 80 4.292 4.033 0.259 1
1 1354 . 8 2 2 B 31 31 LEU CA C 80 55.205 57.548 -2.343 1
1 1355 . 8 2 2 B 31 31 LEU CB C 80 42.262 42.022 0.240 1
1 1359 . 8 2 2 B 31 31 LEU N N 80 122.359 122.368 -0.009 1
1 1360 . 8 2 2 B 32 32 LEU H H 81 8.840 8.093 0.747 1
1 1361 . 8 2 2 B 32 32 LEU HA H 81 4.256 4.239 0.017 1
1 1371 . 8 2 2 B 32 32 LEU CA C 81 54.903 57.523 -2.620 1
1 1372 . 8 2 2 B 32 32 LEU CB C 81 42.497 41.587 0.910 1
1 1376 . 8 2 2 B 32 32 LEU N N 81 120.762 118.362 2.400 1
1 1377 . 8 2 2 B 33 33 THR H H 82 7.728 8.074 -0.346 1
1 1378 . 8 2 2 B 33 33 THR HA H 82 4.226 4.064 0.162 1
1 1383 . 8 2 2 B 33 33 THR CA C 82 61.220 64.620 -3.400 1
1 1384 . 8 2 2 B 33 33 THR CB C 82 69.494 68.898 0.596 1
1 1386 . 8 2 2 B 33 33 THR N N 82 113.606 113.428 0.178 1
1 1387 . 8 2 2 B 34 34 PHE H H 83 8.181 7.925 0.256 1
1 1388 . 8 2 2 B 34 34 PHE HA H 83 4.825 4.610 0.215 1
1 1395 . 8 2 2 B 34 34 PHE CA C 83 55.138 56.154 -1.016 1
1 1396 . 8 2 2 B 34 34 PHE CB C 83 39.203 38.851 0.352 1
1 1399 . 8 2 2 B 34 34 PHE N N 83 123.600 118.327 5.273 1
1 1400 . 8 2 2 B 35 35 PRO HA H 84 4.765 4.451 0.314 1
1 1407 . 8 2 2 B 35 35 PRO CA C 84 62.900 61.677 1.223 1
1 1408 . 8 2 2 B 35 35 PRO CB C 84 32.538 32.246 0.292 1
1 1411 . 8 2 2 B 36 36 PRO HA H 85 4.422 4.094 0.328 1
1 1418 . 8 2 2 B 36 36 PRO CA C 85 62.434 64.993 -2.559 1
1 1419 . 8 2 2 B 36 36 PRO CB C 85 32.143 31.878 0.265 1
1 1422 . 8 2 2 B 37 37 ALA H H 86 8.370 7.318 1.052 1
1 1423 . 8 2 2 B 37 37 ALA HA H 86 4.429 4.761 -0.332 1
1 1427 . 8 2 2 B 37 37 ALA CA C 86 50.263 49.225 1.038 1
1 1428 . 8 2 2 B 37 37 ALA CB C 86 19.972 21.059 -1.087 1
1 1429 . 8 2 2 B 37 37 ALA N N 86 125.277 118.517 6.760 1
1 1430 . 8 2 2 B 38 38 PRO HA H 87 4.388 4.491 -0.103 1
1 1437 . 8 2 2 B 38 38 PRO CA C 87 63.140 63.992 -0.852 1
1 1438 . 8 2 2 B 38 38 PRO CB C 87 32.143 31.912 0.231 1
1 1441 . 8 2 2 B 39 39 GLY H H 88 8.503 8.570 -0.067 1
1 1442 . 8 2 2 B 39 39 GLY HA2 H 88 3.895 3.977 -0.082 1
1 1443 . 8 2 2 B 39 39 GLY HA3 H 88 3.981 3.979 0.002 1
1 1444 . 8 2 2 B 39 39 GLY CA C 88 74.671 45.303 29.368 1
1 1445 . 8 2 2 B 39 39 GLY N N 88 109.831 106.932 2.899 1
1 1446 . 8 2 2 B 40 40 SER H H 89 8.800 7.595 1.205 1
1 1447 . 8 2 2 B 40 40 SER HA H 89 4.748 4.551 0.197 1
1 1450 . 8 2 2 B 40 40 SER CA C 89 56.800 57.201 -0.401 1
1 1451 . 8 2 2 B 40 40 SER CB C 89 63.140 62.813 0.327 1
1 1452 . 8 2 2 B 40 40 SER N N 89 116.937 116.819 0.118 1
1 1453 . 8 2 2 B 41 41 PRO HA H 90 4.441 4.567 -0.126 1
1 1460 . 8 2 2 B 41 41 PRO CA C 90 63.140 63.938 -0.798 1
1 1461 . 8 2 2 B 41 41 PRO CB C 90 32.143 32.146 -0.003 1
1 6 . 9 1 1 A 2 2 PRO HA H 1765 4.433 4.282 0.151 1
1 13 . 9 1 1 A 2 2 PRO CA C 1765 64.810 65.533 -0.723 1
1 14 . 9 1 1 A 2 2 PRO CB C 1765 31.907 31.872 0.035 1
1 17 . 9 1 1 A 3 3 GLN H H 1766 8.442 8.867 -0.425 1
1 18 . 9 1 1 A 3 3 GLN HA H 1766 3.889 4.043 -0.154 1
1 25 . 9 1 1 A 3 3 GLN CA C 1766 59.103 58.927 0.176 1
1 26 . 9 1 1 A 3 3 GLN CB C 1766 28.595 28.149 0.446 1
1 28 . 9 1 1 A 3 3 GLN N N 1766 115.685 115.703 -0.018 1
1 30 . 9 1 1 A 4 4 GLU H H 1767 8.161 8.234 -0.073 1
1 31 . 9 1 1 A 4 4 GLU HA H 1767 4.197 4.058 0.139 1
1 36 . 9 1 1 A 4 4 GLU CA C 1767 57.727 59.529 -1.802 1
1 37 . 9 1 1 A 4 4 GLU CB C 1767 30.250 29.247 1.003 1
1 39 . 9 1 1 A 4 4 GLU N N 1767 121.941 120.147 1.794 1
1 40 . 9 1 1 A 5 5 SER H H 1768 8.291 8.294 -0.003 1
1 41 . 9 1 1 A 5 5 SER HA H 1768 4.280 4.120 0.160 1
1 44 . 9 1 1 A 5 5 SER CA C 1768 60.800 61.750 -0.950 1
1 45 . 9 1 1 A 5 5 SER CB C 1768 63.435 62.886 0.549 1
1 46 . 9 1 1 A 5 5 SER N N 1768 116.360 117.283 -0.923 1
1 47 . 9 1 1 A 6 6 ARG H H 1769 7.935 8.040 -0.105 1
1 48 . 9 1 1 A 6 6 ARG HA H 1769 4.120 4.064 0.056 1
1 52 . 9 1 1 A 6 6 ARG N N 1769 122.139 122.103 0.036 1
1 53 . 9 1 1 A 7 7 ARG H H 1770 7.952 7.760 0.192 1
1 54 . 9 1 1 A 7 7 ARG HA H 1770 3.939 3.993 -0.054 1
1 61 . 9 1 1 A 7 7 ARG N N 1770 119.527 119.859 -0.332 1
1 62 . 9 1 1 A 8 8 LEU H H 1771 8.120 8.259 -0.139 1
1 63 . 9 1 1 A 8 8 LEU HA H 1771 4.188 4.057 0.131 1
1 73 . 9 1 1 A 8 8 LEU CA C 1771 56.786 57.706 -0.920 1
1 74 . 9 1 1 A 8 8 LEU CB C 1771 41.556 41.754 -0.198 1
1 78 . 9 1 1 A 8 8 LEU N N 1771 120.237 120.573 -0.336 1
1 79 . 9 1 1 A 9 9 SER H H 1772 8.860 8.120 0.740 1
1 80 . 9 1 1 A 9 9 SER HA H 1772 4.224 4.026 0.198 1
1 83 . 9 1 1 A 9 9 SER CA C 1772 61.728 62.535 -0.807 1
1 84 . 9 1 1 A 9 9 SER CB C 1772 62.198 62.913 -0.715 1
1 85 . 9 1 1 A 9 9 SER N N 1772 116.214 113.587 2.627 1
1 86 . 9 1 1 A 10 10 ILE H H 1773 8.133 7.975 0.158 1
1 87 . 9 1 1 A 10 10 ILE HA H 1773 3.510 3.548 -0.038 1
1 97 . 9 1 1 A 10 10 ILE CA C 1773 64.787 65.162 -0.375 1
1 98 . 9 1 1 A 10 10 ILE CB C 1773 38.732 37.511 1.221 1
1 102 . 9 1 1 A 10 10 ILE N N 1773 122.927 121.192 1.735 1
1 103 . 9 1 1 A 11 11 GLN H H 1774 8.250 7.974 0.276 1
1 104 . 9 1 1 A 11 11 GLN HA H 1774 3.980 4.073 -0.093 1
1 111 . 9 1 1 A 11 11 GLN CA C 1774 58.900 58.584 0.316 1
1 113 . 9 1 1 A 11 11 GLN N N 1774 118.893 120.099 -1.206 1
1 115 . 9 1 1 A 12 12 ARG H H 1775 8.272 8.061 0.211 1
1 116 . 9 1 1 A 12 12 ARG HA H 1775 4.168 4.031 0.137 1
1 123 . 9 1 1 A 12 12 ARG CA C 1775 57.730 59.521 -1.791 1
1 126 . 9 1 1 A 12 12 ARG N N 1775 119.560 119.312 0.248 1
1 127 . 9 1 1 A 13 13 CYS HA H 1776 4.176 4.162 0.014 1
1 130 . 9 1 1 A 13 13 CYS CA C 1776 63.610 62.262 1.348 1
1 131 . 9 1 1 A 13 13 CYS CB C 1776 26.965 27.101 -0.136 1
1 132 . 9 1 1 A 14 14 ILE H H 1777 8.597 8.220 0.377 1
1 133 . 9 1 1 A 14 14 ILE HA H 1777 3.735 3.609 0.126 1
1 143 . 9 1 1 A 14 14 ILE CA C 1777 65.220 65.331 -0.111 1
1 144 . 9 1 1 A 14 14 ILE CB C 1777 37.320 37.626 -0.306 1
1 148 . 9 1 1 A 14 14 ILE N N 1777 120.174 120.186 -0.012 1
1 149 . 9 1 1 A 15 15 GLN H H 1778 8.105 8.232 -0.127 1
1 150 . 9 1 1 A 15 15 GLN HA H 1778 4.700 4.027 0.673 1
1 157 . 9 1 1 A 15 15 GLN CA C 1778 59.139 59.052 0.087 1
1 158 . 9 1 1 A 15 15 GLN CB C 1778 28.377 28.672 -0.295 1
1 160 . 9 1 1 A 15 15 GLN N N 1778 119.677 119.506 0.171 1
1 162 . 9 1 1 A 16 16 SER H H 1779 8.115 7.668 0.447 1
1 163 . 9 1 1 A 16 16 SER HA H 1779 4.407 4.157 0.250 1
1 166 . 9 1 1 A 16 16 SER CA C 1779 61.963 62.472 -0.509 1
1 167 . 9 1 1 A 16 16 SER CB C 1779 63.425 62.809 0.616 1
1 168 . 9 1 1 A 16 16 SER N N 1779 116.542 116.458 0.084 1
1 169 . 9 1 1 A 17 17 LEU H H 1780 8.496 8.062 0.434 1
1 170 . 9 1 1 A 17 17 LEU HA H 1780 3.970 4.006 -0.036 1
1 180 . 9 1 1 A 17 17 LEU CA C 1780 58.286 58.337 -0.051 1
1 181 . 9 1 1 A 17 17 LEU CB C 1780 42.262 41.819 0.443 1
1 185 . 9 1 1 A 17 17 LEU N N 1780 124.870 123.245 1.625 1
1 186 . 9 1 1 A 18 18 VAL H H 1781 8.540 8.251 0.289 1
1 187 . 9 1 1 A 18 18 VAL HA H 1781 3.246 3.526 -0.280 1
1 195 . 9 1 1 A 18 18 VAL CA C 1781 66.905 66.769 0.136 1
1 196 . 9 1 1 A 18 18 VAL CB C 1781 31.672 31.638 0.034 1
1 199 . 9 1 1 A 18 18 VAL N N 1781 119.345 119.116 0.229 1
1 200 . 9 1 1 A 19 19 HIS H H 1782 7.944 8.186 -0.242 1
1 201 . 9 1 1 A 19 19 HIS HA H 1782 4.191 4.095 0.096 1
1 206 . 9 1 1 A 19 19 HIS CA C 1782 59.845 60.221 -0.376 1
1 207 . 9 1 1 A 19 19 HIS CB C 1782 26.965 29.705 -2.740 1
1 210 . 9 1 1 A 19 19 HIS N N 1782 116.521 119.086 -2.565 1
1 211 . 9 1 1 A 20 20 ALA H H 1783 9.830 8.504 1.326 1
1 212 . 9 1 1 A 20 20 ALA HA H 1783 4.367 4.037 0.330 1
1 216 . 9 1 1 A 20 20 ALA CA C 1783 55.191 55.062 0.129 1
1 217 . 9 1 1 A 20 20 ALA CB C 1783 20.695 18.373 2.322 1
1 218 . 9 1 1 A 20 20 ALA N N 1783 121.753 120.400 1.353 1
1 219 . 9 1 1 A 21 21 CYS H H 1784 7.913 7.622 0.291 1
1 220 . 9 1 1 A 21 21 CYS HA H 1784 4.236 4.279 -0.043 1
1 223 . 9 1 1 A 21 21 CYS CA C 1784 61.963 60.840 1.123 1
1 224 . 9 1 1 A 21 21 CYS CB C 1784 26.965 26.831 0.134 1
1 225 . 9 1 1 A 21 21 CYS N N 1784 112.237 115.659 -3.422 1
1 226 . 9 1 1 A 22 22 GLN H H 1785 7.320 8.104 -0.784 1
1 227 . 9 1 1 A 22 22 GLN HA H 1785 4.475 4.429 0.046 1
1 234 . 9 1 1 A 22 22 GLN CA C 1785 54.970 55.376 -0.406 1
1 235 . 9 1 1 A 22 22 GLN CB C 1785 30.731 29.903 0.828 1
1 237 . 9 1 1 A 22 22 GLN N N 1785 115.939 115.360 0.579 1
1 239 . 9 1 1 A 23 23 CYS H H 1786 7.268 7.526 -0.258 1
1 240 . 9 1 1 A 23 23 CYS HA H 1786 3.898 4.120 -0.222 1
1 243 . 9 1 1 A 23 23 CYS CA C 1786 60.800 60.070 0.730 1
1 244 . 9 1 1 A 23 23 CYS CB C 1786 28.848 28.646 0.202 1
1 245 . 9 1 1 A 23 23 CYS N N 1786 124.452 119.977 4.475 1
1 246 . 9 1 1 A 24 24 ARG H H 1787 8.854 8.868 -0.014 1
1 247 . 9 1 1 A 24 24 ARG HA H 1787 4.539 4.211 0.328 1
1 254 . 9 1 1 A 24 24 ARG CA C 1787 54.735 58.127 -3.392 1
1 255 . 9 1 1 A 24 24 ARG CB C 1787 30.250 30.653 -0.403 1
1 258 . 9 1 1 A 24 24 ARG N N 1787 130.523 127.727 2.796 1
1 259 . 9 1 1 A 25 25 ASN H H 1788 7.553 7.787 -0.234 1
1 260 . 9 1 1 A 25 25 ASN HA H 1788 4.799 4.939 -0.140 1
1 265 . 9 1 1 A 25 25 ASN CA C 1788 51.911 52.211 -0.300 1
1 266 . 9 1 1 A 25 25 ASN CB C 1788 39.203 40.506 -1.303 1
1 267 . 9 1 1 A 25 25 ASN N N 1788 119.613 118.319 1.294 1
1 269 . 9 1 1 A 26 26 ALA H H 1789 9.185 9.119 0.066 1
1 270 . 9 1 1 A 26 26 ALA HA H 1789 4.740 4.048 0.692 1
1 274 . 9 1 1 A 26 26 ALA CA C 1789 54.264 54.717 -0.453 1
1 275 . 9 1 1 A 26 26 ALA CB C 1789 18.796 18.470 0.326 1
1 276 . 9 1 1 A 26 26 ALA N N 1789 130.841 128.892 1.949 1
1 277 . 9 1 1 A 27 27 ASN H H 1790 8.520 7.854 0.666 1
1 278 . 9 1 1 A 27 27 ASN HA H 1790 4.761 4.869 -0.108 1
1 283 . 9 1 1 A 27 27 ASN CA C 1790 51.911 53.480 -1.569 1
1 284 . 9 1 1 A 27 27 ASN CB C 1790 38.967 39.049 -0.082 1
1 285 . 9 1 1 A 27 27 ASN N N 1790 113.345 113.766 -0.421 1
1 287 . 9 1 1 A 28 28 CYS H H 1791 7.224 7.224 0.000 1
1 288 . 9 1 1 A 28 28 CYS HA H 1791 4.950 4.329 0.621 1
1 291 . 9 1 1 A 28 28 CYS CA C 1791 61.257 60.075 1.182 1
1 292 . 9 1 1 A 28 28 CYS CB C 1791 30.495 28.820 1.675 1
1 293 . 9 1 1 A 28 28 CYS N N 1791 123.463 120.681 2.782 1
1 294 . 9 1 1 A 29 29 SER H H 1792 8.811 8.805 0.006 1
1 295 . 9 1 1 A 29 29 SER HA H 1792 4.449 4.389 0.060 1
1 298 . 9 1 1 A 29 29 SER CA C 1792 57.492 60.177 -2.685 1
1 299 . 9 1 1 A 29 29 SER CB C 1792 63.835 63.239 0.596 1
1 300 . 9 1 1 A 29 29 SER N N 1792 125.781 120.863 4.918 1
1 301 . 9 1 1 A 30 30 LEU H H 1793 7.851 7.321 0.530 1
1 302 . 9 1 1 A 30 30 LEU HA H 1793 4.507 4.470 0.037 1
1 312 . 9 1 1 A 30 30 LEU CA C 1793 53.558 52.807 0.751 1
1 313 . 9 1 1 A 30 30 LEU CB C 1793 42.270 43.168 -0.898 1
1 317 . 9 1 1 A 30 30 LEU N N 1793 125.656 123.852 1.804 1
1 318 . 9 1 1 A 31 31 PRO HA H 1794 4.363 4.277 0.086 1
1 325 . 9 1 1 A 31 31 PRO CA C 1794 64.787 65.245 -0.458 1
1 326 . 9 1 1 A 31 31 PRO CB C 1794 32.708 31.779 0.929 1
1 329 . 9 1 1 A 32 32 SER H H 1795 8.625 8.080 0.545 1
1 330 . 9 1 1 A 32 32 SER HA H 1795 4.309 4.203 0.106 1
1 332 . 9 1 1 A 32 32 SER CA C 1795 60.124 61.173 -1.049 1
1 333 . 9 1 1 A 32 32 SER CB C 1795 62.982 62.263 0.719 1
1 334 . 9 1 1 A 32 32 SER N N 1795 112.707 112.081 0.626 1
1 335 . 9 1 1 A 33 33 CYS H H 1796 6.679 7.992 -1.313 1
1 336 . 9 1 1 A 33 33 CYS HA H 1796 4.108 3.968 0.140 1
1 339 . 9 1 1 A 33 33 CYS CA C 1796 62.669 62.680 -0.011 1
1 340 . 9 1 1 A 33 33 CYS CB C 1796 30.495 26.584 3.911 1
1 341 . 9 1 1 A 33 33 CYS N N 1796 126.200 120.962 5.238 1
1 342 . 9 1 1 A 34 34 GLN H H 1797 7.870 7.923 -0.053 1
1 343 . 9 1 1 A 34 34 GLN HA H 1797 3.867 3.947 -0.080 1
1 350 . 9 1 1 A 34 34 GLN CA C 1797 59.140 59.230 -0.090 1
1 351 . 9 1 1 A 34 34 GLN CB C 1797 31.360 28.129 3.231 1
1 353 . 9 1 1 A 34 34 GLN N N 1797 115.529 119.368 -3.839 1
1 355 . 9 1 1 A 35 35 LYS H H 1798 8.340 7.505 0.835 1
1 356 . 9 1 1 A 35 35 LYS HA H 1798 4.240 4.051 0.189 1
1 365 . 9 1 1 A 35 35 LYS CA C 1798 58.904 59.282 -0.378 1
1 366 . 9 1 1 A 35 35 LYS CB C 1798 32.686 32.389 0.297 1
1 370 . 9 1 1 A 35 35 LYS N N 1798 117.144 119.352 -2.208 1
1 371 . 9 1 1 A 36 36 MET H H 1799 8.163 8.387 -0.224 1
1 372 . 9 1 1 A 36 36 MET HA H 1799 4.369 4.061 0.308 1
1 380 . 9 1 1 A 36 36 MET CA C 1799 56.474 58.645 -2.171 1
1 381 . 9 1 1 A 36 36 MET CB C 1799 31.110 32.108 -0.998 1
1 384 . 9 1 1 A 36 36 MET N N 1799 117.485 119.069 -1.584 1
1 385 . 9 1 1 A 37 37 LYS H H 1800 9.337 8.335 1.002 1
1 386 . 9 1 1 A 37 37 LYS HA H 1800 3.840 3.970 -0.130 1
1 395 . 9 1 1 A 37 37 LYS CA C 1800 61.200 59.973 1.227 1
1 396 . 9 1 1 A 37 37 LYS CB C 1800 32.691 32.302 0.389 1
1 400 . 9 1 1 A 37 37 LYS N N 1800 120.830 119.172 1.658 1
1 401 . 9 1 1 A 38 38 ARG H H 1801 7.399 7.526 -0.127 1
1 402 . 9 1 1 A 38 38 ARG HA H 1801 4.490 4.043 0.447 1
1 409 . 9 1 1 A 38 38 ARG CA C 1801 59.263 59.451 -0.188 1
1 410 . 9 1 1 A 38 38 ARG CB C 1801 31.179 30.118 1.061 1
1 413 . 9 1 1 A 38 38 ARG N N 1801 118.965 119.375 -0.410 1
1 414 . 9 1 1 A 39 39 VAL H H 1802 8.420 7.884 0.536 1
1 415 . 9 1 1 A 39 39 VAL HA H 1802 3.239 3.802 -0.563 1
1 423 . 9 1 1 A 39 39 VAL CA C 1802 67.140 65.474 1.666 1
1 424 . 9 1 1 A 39 39 VAL CB C 1802 31.685 31.422 0.263 1
1 427 . 9 1 1 A 39 39 VAL N N 1802 123.140 115.808 7.332 1
1 428 . 9 1 1 A 40 40 VAL H H 1803 8.195 8.202 -0.007 1
1 429 . 9 1 1 A 40 40 VAL HA H 1803 3.403 3.568 -0.165 1
1 437 . 9 1 1 A 40 40 VAL CA C 1803 66.905 66.892 0.013 1
1 438 . 9 1 1 A 40 40 VAL CB C 1803 31.907 31.569 0.338 1
1 441 . 9 1 1 A 40 40 VAL N N 1803 118.716 121.014 -2.298 1
1 442 . 9 1 1 A 41 41 GLN H H 1804 8.310 8.151 0.159 1
1 443 . 9 1 1 A 41 41 GLN HA H 1804 3.916 4.084 -0.168 1
1 450 . 9 1 1 A 41 41 GLN CA C 1804 58.591 58.739 -0.148 1
1 451 . 9 1 1 A 41 41 GLN CB C 1804 28.561 28.573 -0.012 1
1 453 . 9 1 1 A 41 41 GLN N N 1804 119.193 118.506 0.687 1
1 455 . 9 1 1 A 42 42 HIS H H 1805 8.152 8.051 0.101 1
1 456 . 9 1 1 A 42 42 HIS HA H 1805 4.222 4.305 -0.083 1
1 461 . 9 1 1 A 42 42 HIS CA C 1805 59.139 59.437 -0.298 1
1 462 . 9 1 1 A 42 42 HIS CB C 1805 27.201 30.305 -3.104 1
1 465 . 9 1 1 A 42 42 HIS N N 1805 118.579 121.768 -3.189 1
1 466 . 9 1 1 A 43 43 THR H H 1806 7.997 8.482 -0.485 1
1 467 . 9 1 1 A 43 43 THR HA H 1806 3.888 4.042 -0.154 1
1 473 . 9 1 1 A 43 43 THR CA C 1806 65.728 65.347 0.381 1
1 474 . 9 1 1 A 43 43 THR CB C 1806 69.023 68.862 0.161 1
1 476 . 9 1 1 A 43 43 THR N N 1806 113.599 113.785 -0.186 1
1 477 . 9 1 1 A 44 44 LYS H H 1807 7.381 8.726 -1.345 1
1 478 . 9 1 1 A 44 44 LYS HA H 1807 4.190 4.307 -0.117 1
1 487 . 9 1 1 A 44 44 LYS CA C 1807 58.668 58.148 0.520 1
1 488 . 9 1 1 A 44 44 LYS CB C 1807 32.731 31.311 1.420 1
1 492 . 9 1 1 A 44 44 LYS N N 1807 120.270 119.462 0.808 1
1 493 . 9 1 1 A 45 45 GLY H H 1808 7.610 7.843 -0.233 1
1 494 . 9 1 1 A 45 45 GLY HA2 H 1808 3.610 4.099 -0.489 1
1 495 . 9 1 1 A 45 45 GLY HA3 H 1808 4.380 4.116 0.264 1
1 496 . 9 1 1 A 45 45 GLY CA C 1808 44.851 45.285 -0.434 1
1 497 . 9 1 1 A 45 45 GLY N N 1808 125.480 106.708 18.772 1
1 498 . 9 1 1 A 46 46 CYS H H 1809 6.898 7.547 -0.649 1
1 499 . 9 1 1 A 46 46 CYS HA H 1809 3.957 4.191 -0.234 1
1 502 . 9 1 1 A 46 46 CYS CA C 1809 60.551 59.503 1.048 1
1 503 . 9 1 1 A 46 46 CYS CB C 1809 30.260 28.739 1.521 1
1 504 . 9 1 1 A 46 46 CYS N N 1809 123.457 119.946 3.511 1
1 505 . 9 1 1 A 47 47 LYS HA H 1810 4.471 4.187 0.284 1
1 514 . 9 1 1 A 47 47 LYS CA C 1810 56.800 58.193 -1.393 1
1 515 . 9 1 1 A 47 47 LYS CB C 1810 33.840 32.214 1.626 1
1 518 . 9 1 1 A 48 48 ARG H H 1811 8.575 7.358 1.217 1
1 519 . 9 1 1 A 48 48 ARG HA H 1811 4.366 4.578 -0.212 1
1 526 . 9 1 1 A 48 48 ARG CA C 1811 57.256 57.548 -0.292 1
1 527 . 9 1 1 A 48 48 ARG CB C 1811 32.143 32.720 -0.577 1
1 530 . 9 1 1 A 48 48 ARG N N 1811 122.731 119.046 3.685 1
1 531 . 9 1 1 A 49 49 LYS H H 1812 8.663 7.693 0.970 1
1 532 . 9 1 1 A 49 49 LYS HA H 1812 4.521 4.311 0.210 1
1 539 . 9 1 1 A 49 49 LYS CA C 1812 57.256 57.601 -0.345 1
1 540 . 9 1 1 A 49 49 LYS CB C 1812 32.378 32.154 0.224 1
1 543 . 9 1 1 A 49 49 LYS N N 1812 118.409 119.197 -0.788 1
1 544 . 9 1 1 A 50 50 THR HA H 1813 4.710 3.909 0.801 1
1 549 . 9 1 1 A 50 50 THR CA C 1813 63.846 65.899 -2.053 1
1 550 . 9 1 1 A 50 50 THR CB C 1813 68.317 68.230 0.087 1
1 552 . 9 1 1 A 51 51 ASN HA H 1814 4.676 4.345 0.331 1
1 557 . 9 1 1 A 51 51 ASN CA C 1814 82.908 56.338 26.570 1
1 558 . 9 1 1 A 51 51 ASN CB C 1814 38.732 38.569 0.163 1
1 560 . 9 1 1 A 52 52 GLY H H 1815 7.879 7.612 0.267 1
1 561 . 9 1 1 A 52 52 GLY HA2 H 1815 4.300 3.940 0.360 1
1 562 . 9 1 1 A 52 52 GLY HA3 H 1815 3.831 3.943 -0.112 1
1 563 . 9 1 1 A 52 52 GLY CA C 1815 45.557 45.316 0.241 1
1 564 . 9 1 1 A 52 52 GLY N N 1815 129.890 105.807 24.083 1
1 565 . 9 1 1 A 53 53 GLY H H 1816 7.765 7.580 0.185 1
1 566 . 9 1 1 A 53 53 GLY HA2 H 1816 3.885 3.950 -0.065 1
1 567 . 9 1 1 A 53 53 GLY HA3 H 1816 3.985 3.953 0.032 1
1 568 . 9 1 1 A 53 53 GLY CA C 1816 45.792 45.321 0.471 1
1 569 . 9 1 1 A 53 53 GLY N N 1816 128.949 107.724 21.225 1
1 570 . 9 1 1 A 54 54 CYS H H 1817 8.800 8.099 0.701 1
1 571 . 9 1 1 A 54 54 CYS HA H 1817 4.821 4.594 0.227 1
1 574 . 9 1 1 A 54 54 CYS CA C 1817 55.138 57.463 -2.325 1
1 575 . 9 1 1 A 54 54 CYS CB C 1817 30.966 28.850 2.116 1
1 576 . 9 1 1 A 54 54 CYS N N 1817 122.429 119.494 2.935 1
1 577 . 9 1 1 A 55 55 PRO HA H 1818 4.330 4.283 0.047 1
1 584 . 9 1 1 A 55 55 PRO CA C 1818 64.787 65.264 -0.477 1
1 585 . 9 1 1 A 55 55 PRO CB C 1818 32.613 32.026 0.587 1
1 588 . 9 1 1 A 56 56 VAL H H 1819 7.750 7.322 0.428 1
1 589 . 9 1 1 A 56 56 VAL HA H 1819 3.884 3.574 0.310 1
1 597 . 9 1 1 A 56 56 VAL CA C 1819 65.728 66.257 -0.529 1
1 598 . 9 1 1 A 56 56 VAL CB C 1819 32.849 31.209 1.640 1
1 601 . 9 1 1 A 56 56 VAL N N 1819 121.605 115.672 5.933 1
1 602 . 9 1 1 A 57 57 CYS H H 1820 8.884 8.090 0.794 1
1 603 . 9 1 1 A 57 57 CYS HA H 1820 4.106 3.892 0.214 1
1 606 . 9 1 1 A 57 57 CYS CA C 1820 65.728 63.780 1.948 1
1 607 . 9 1 1 A 57 57 CYS CB C 1820 30.250 27.121 3.129 1
1 608 . 9 1 1 A 57 57 CYS N N 1820 124.260 117.531 6.729 1
1 609 . 9 1 1 A 58 58 LYS H H 1821 8.133 7.957 0.176 1
1 610 . 9 1 1 A 58 58 LYS HA H 1821 3.942 3.892 0.050 1
1 619 . 9 1 1 A 58 58 LYS CA C 1821 59.610 59.858 -0.248 1
1 620 . 9 1 1 A 58 58 LYS CB C 1821 32.849 32.198 0.651 1
1 624 . 9 1 1 A 58 58 LYS N N 1821 117.129 119.749 -2.620 1
1 625 . 9 1 1 A 59 59 GLN H H 1822 7.318 7.603 -0.285 1
1 626 . 9 1 1 A 59 59 GLN HA H 1822 4.357 4.004 0.353 1
1 632 . 9 1 1 A 59 59 GLN N N 1822 117.943 119.154 -1.211 1
1 633 . 9 1 1 A 60 60 LEU H H 1823 8.667 7.720 0.947 1
1 634 . 9 1 1 A 60 60 LEU HA H 1823 4.950 3.982 0.968 1
1 647 . 9 1 1 A 60 60 LEU N N 1823 120.670 121.110 -0.440 1
1 648 . 9 1 1 A 61 61 ILE H H 1824 8.780 8.351 0.429 1
1 649 . 9 1 1 A 61 61 ILE HA H 1824 3.614 3.629 -0.015 1
1 659 . 9 1 1 A 61 61 ILE CA C 1824 64.787 65.265 -0.478 1
1 660 . 9 1 1 A 61 61 ILE CB C 1824 37.320 37.066 0.254 1
1 664 . 9 1 1 A 61 61 ILE N N 1824 119.837 119.094 0.743 1
1 665 . 9 1 1 A 62 62 ALA H H 1825 7.675 8.214 -0.539 1
1 666 . 9 1 1 A 62 62 ALA HA H 1825 4.112 4.097 0.015 1
1 670 . 9 1 1 A 62 62 ALA CA C 1825 55.374 55.333 0.041 1
1 671 . 9 1 1 A 62 62 ALA CB C 1825 18.560 18.108 0.452 1
1 672 . 9 1 1 A 62 62 ALA N N 1825 122.779 122.800 -0.021 1
1 673 . 9 1 1 A 63 63 LEU H H 1826 7.983 7.823 0.160 1
1 674 . 9 1 1 A 63 63 LEU HA H 1826 4.114 3.966 0.148 1
1 684 . 9 1 1 A 63 63 LEU CA C 1826 58.334 58.107 0.227 1
1 685 . 9 1 1 A 63 63 LEU CB C 1826 42.821 41.576 1.245 1
1 689 . 9 1 1 A 63 63 LEU N N 1826 118.291 117.897 0.394 1
1 690 . 9 1 1 A 64 64 CYS H H 1827 8.663 8.393 0.270 1
1 691 . 9 1 1 A 64 64 CYS HA H 1827 4.350 4.143 0.207 1
1 694 . 9 1 1 A 64 64 CYS CA C 1827 64.800 62.965 1.835 1
1 695 . 9 1 1 A 64 64 CYS CB C 1827 26.495 27.164 -0.669 1
1 696 . 9 1 1 A 64 64 CYS N N 1827 118.409 117.769 0.640 1
1 697 . 9 1 1 A 65 65 CYS H H 1828 8.672 8.370 0.302 1
1 698 . 9 1 1 A 65 65 CYS HA H 1828 4.152 4.140 0.012 1
1 701 . 9 1 1 A 65 65 CYS CA C 1828 63.547 62.855 0.692 1
1 702 . 9 1 1 A 65 65 CYS CB C 1828 26.495 26.660 -0.165 1
1 703 . 9 1 1 A 65 65 CYS N N 1828 118.996 119.914 -0.918 1
1 704 . 9 1 1 A 66 66 TYR H H 1829 7.837 8.485 -0.648 1
1 705 . 9 1 1 A 66 66 TYR HA H 1829 4.199 4.144 0.055 1
1 712 . 9 1 1 A 66 66 TYR CA C 1829 61.220 61.791 -0.571 1
1 713 . 9 1 1 A 66 66 TYR CB C 1829 38.261 38.677 -0.416 1
1 716 . 9 1 1 A 66 66 TYR N N 1829 120.650 122.093 -1.443 1
1 717 . 9 1 1 A 67 67 HIS H H 1830 8.323 8.413 -0.090 1
1 718 . 9 1 1 A 67 67 HIS HA H 1830 4.341 4.368 -0.027 1
1 723 . 9 1 1 A 67 67 HIS CA C 1830 58.668 60.305 -1.637 1
1 724 . 9 1 1 A 67 67 HIS CB C 1830 27.907 30.081 -2.174 1
1 727 . 9 1 1 A 67 67 HIS N N 1830 117.149 119.451 -2.302 1
1 728 . 9 1 1 A 68 68 ALA H H 1831 8.693 8.667 0.026 1
1 729 . 9 1 1 A 68 68 ALA HA H 1831 4.250 4.011 0.239 1
1 733 . 9 1 1 A 68 68 ALA CA C 1831 55.205 55.434 -0.229 1
1 734 . 9 1 1 A 68 68 ALA CB C 1831 20.695 18.562 2.133 1
1 735 . 9 1 1 A 68 68 ALA N N 1831 121.519 120.779 0.740 1
1 736 . 9 1 1 A 69 69 LYS H H 1832 7.126 8.251 -1.125 1
1 737 . 9 1 1 A 69 69 LYS HA H 1832 3.737 4.053 -0.316 1
1 746 . 9 1 1 A 69 69 LYS CA C 1832 57.962 59.514 -1.552 1
1 747 . 9 1 1 A 69 69 LYS CB C 1832 32.613 31.626 0.987 1
1 751 . 9 1 1 A 69 69 LYS N N 1832 114.376 119.088 -4.712 1
1 752 . 9 1 1 A 70 70 HIS H H 1833 6.884 7.336 -0.452 1
1 753 . 9 1 1 A 70 70 HIS HA H 1833 4.711 4.369 0.342 1
1 758 . 9 1 1 A 70 70 HIS CA C 1833 54.970 57.760 -2.790 1
1 759 . 9 1 1 A 70 70 HIS CB C 1833 31.201 30.983 0.218 1
1 762 . 9 1 1 A 70 70 HIS N N 1833 113.369 114.474 -1.105 1
1 763 . 9 1 1 A 71 71 CYS H H 1834 6.969 7.536 -0.567 1
1 764 . 9 1 1 A 71 71 CYS HA H 1834 4.210 4.238 -0.028 1
1 767 . 9 1 1 A 71 71 CYS CA C 1834 60.800 59.993 0.807 1
1 768 . 9 1 1 A 71 71 CYS CB C 1834 30.250 27.986 2.264 1
1 769 . 9 1 1 A 71 71 CYS N N 1834 123.813 118.147 5.666 1
1 770 . 9 1 1 A 72 72 GLN H H 1835 9.101 8.811 0.290 1
1 771 . 9 1 1 A 72 72 GLN HA H 1835 4.646 4.598 0.048 1
1 778 . 9 1 1 A 72 72 GLN CA C 1835 54.735 55.579 -0.844 1
1 779 . 9 1 1 A 72 72 GLN CB C 1835 29.319 30.456 -1.137 1
1 781 . 9 1 1 A 72 72 GLN N N 1835 128.430 122.750 5.680 1
1 783 . 9 1 1 A 73 73 GLU H H 1836 8.331 7.803 0.528 1
1 784 . 9 1 1 A 73 73 GLU HA H 1836 4.365 4.327 0.038 1
1 788 . 9 1 1 A 73 73 GLU CA C 1836 55.374 56.148 -0.774 1
1 789 . 9 1 1 A 73 73 GLU CB C 1836 30.731 31.011 -0.280 1
1 791 . 9 1 1 A 73 73 GLU N N 1836 123.251 123.008 0.243 1
1 792 . 9 1 1 A 74 74 ASN HA H 1837 4.512 4.424 0.088 1
1 797 . 9 1 1 A 74 74 ASN CA C 1837 54.970 55.373 -0.403 1
1 798 . 9 1 1 A 74 74 ASN CB C 1837 38.732 38.439 0.293 1
1 800 . 9 1 1 A 75 75 LYS H H 1838 8.779 7.897 0.882 1
1 801 . 9 1 1 A 75 75 LYS HA H 1838 4.424 4.605 -0.181 1
1 810 . 9 1 1 A 75 75 LYS CA C 1838 54.735 54.979 -0.244 1
1 811 . 9 1 1 A 75 75 LYS CB C 1838 30.966 33.032 -2.066 1
1 815 . 9 1 1 A 75 75 LYS N N 1838 121.350 116.017 5.333 1
1 816 . 9 1 1 A 76 76 CYS H H 1839 7.590 6.955 0.635 1
1 817 . 9 1 1 A 76 76 CYS HA H 1839 4.361 4.422 -0.061 1
1 820 . 9 1 1 A 76 76 CYS CA C 1839 57.256 57.688 -0.432 1
1 821 . 9 1 1 A 76 76 CYS CB C 1839 30.731 28.281 2.450 1
1 822 . 9 1 1 A 76 76 CYS N N 1839 124.209 121.167 3.042 1
1 823 . 9 1 1 A 77 77 PRO HA H 1840 4.651 4.382 0.269 1
1 830 . 9 1 1 A 77 77 PRO CA C 1840 62.669 64.220 -1.551 1
1 831 . 9 1 1 A 77 77 PRO CB C 1840 32.849 31.922 0.927 1
1 834 . 9 1 1 A 78 78 VAL H H 1841 8.962 7.762 1.200 1
1 835 . 9 1 1 A 78 78 VAL HA H 1841 4.199 4.156 0.043 1
1 843 . 9 1 1 A 78 78 VAL CA C 1841 61.257 60.929 0.328 1
1 844 . 9 1 1 A 78 78 VAL CB C 1841 31.672 31.956 -0.284 1
1 847 . 9 1 1 A 78 78 VAL N N 1841 128.606 119.706 8.900 1
1 848 . 9 1 1 A 79 79 PRO HA H 1842 3.936 4.237 -0.301 1
1 855 . 9 1 1 A 79 79 PRO CA C 1842 63.846 65.479 -1.633 1
1 856 . 9 1 1 A 79 79 PRO CB C 1842 30.731 31.334 -0.603 1
1 859 . 9 1 1 A 80 80 PHE HA H 1843 4.255 4.282 -0.027 1
1 866 . 9 1 1 A 80 80 PHE CA C 1843 59.374 60.146 -0.772 1
1 867 . 9 1 1 A 80 80 PHE CB C 1843 37.791 38.290 -0.499 1
1 870 . 9 1 1 A 81 81 CYS H H 1844 7.660 8.387 -0.727 1
1 871 . 9 1 1 A 81 81 CYS HA H 1844 3.997 4.189 -0.192 1
1 874 . 9 1 1 A 81 81 CYS CA C 1844 64.552 62.545 2.007 1
1 875 . 9 1 1 A 81 81 CYS CB C 1844 30.495 27.078 3.417 1
1 876 . 9 1 1 A 81 81 CYS N N 1844 124.104 118.725 5.379 1
1 877 . 9 1 1 A 82 82 LEU H H 1845 8.170 8.313 -0.143 1
1 878 . 9 1 1 A 82 82 LEU HA H 1845 3.988 3.965 0.023 1
1 888 . 9 1 1 A 82 82 LEU CA C 1845 57.962 58.145 -0.183 1
1 889 . 9 1 1 A 82 82 LEU CB C 1845 41.321 41.358 -0.037 1
1 893 . 9 1 1 A 82 82 LEU N N 1845 115.950 121.105 -5.155 1
1 894 . 9 1 1 A 83 83 ASN H H 1846 7.826 8.369 -0.543 1
1 895 . 9 1 1 A 83 83 ASN HA H 1846 4.447 4.459 -0.012 1
1 900 . 9 1 1 A 83 83 ASN CA C 1846 56.800 56.994 -0.194 1
1 901 . 9 1 1 A 83 83 ASN CB C 1846 38.967 39.133 -0.166 1
1 902 . 9 1 1 A 83 83 ASN N N 1846 116.117 118.051 -1.934 1
1 904 . 9 1 1 A 84 84 ILE H H 1847 8.607 8.295 0.312 1
1 905 . 9 1 1 A 84 84 ILE HA H 1847 3.718 3.599 0.119 1
1 915 . 9 1 1 A 84 84 ILE CA C 1847 64.787 65.521 -0.734 1
1 916 . 9 1 1 A 84 84 ILE CB C 1847 38.497 37.943 0.554 1
1 920 . 9 1 1 A 84 84 ILE N N 1847 121.553 119.652 1.901 1
1 921 . 9 1 1 A 85 85 LYS H H 1848 8.855 8.095 0.760 1
1 922 . 9 1 1 A 85 85 LYS HA H 1848 3.859 3.940 -0.081 1
1 931 . 9 1 1 A 85 85 LYS CA C 1848 60.551 59.378 1.173 1
1 932 . 9 1 1 A 85 85 LYS CB C 1848 32.613 32.346 0.267 1
1 936 . 9 1 1 A 85 85 LYS N N 1848 119.992 118.959 1.033 1
1 937 . 9 1 1 A 86 86 HIS H H 1849 8.100 7.867 0.233 1
1 938 . 9 1 1 A 86 86 HIS HA H 1849 4.411 4.325 0.086 1
1 943 . 9 1 1 A 86 86 HIS CA C 1849 58.433 60.050 -1.617 1
1 944 . 9 1 1 A 86 86 HIS CB C 1849 30.495 29.812 0.683 1
1 947 . 9 1 1 A 86 86 HIS N N 1849 117.237 119.904 -2.667 1
1 948 . 9 1 1 A 87 87 LYS H H 1850 7.685 8.417 -0.732 1
1 949 . 9 1 1 A 87 87 LYS HA H 1850 4.128 3.876 0.252 1
1 958 . 9 1 1 A 87 87 LYS CA C 1850 57.727 59.337 -1.610 1
1 959 . 9 1 1 A 87 87 LYS CB C 1850 32.378 32.668 -0.290 1
1 963 . 9 1 1 A 87 87 LYS N N 1850 119.118 117.349 1.769 1
1 964 . 9 1 1 A 88 88 LEU H H 1851 8.230 8.640 -0.410 1
1 965 . 9 1 1 A 88 88 LEU HA H 1851 4.174 3.926 0.248 1
1 975 . 9 1 1 A 88 88 LEU CA C 1851 56.800 57.852 -1.052 1
1 976 . 9 1 1 A 88 88 LEU CB C 1851 42.262 41.335 0.927 1
1 980 . 9 1 1 A 88 88 LEU N N 1851 119.305 119.861 -0.556 1
1 981 . 9 1 1 A 89 89 ARG H H 1852 7.765 8.096 -0.331 1
1 982 . 9 1 1 A 89 89 ARG HA H 1852 4.245 3.995 0.250 1
1 989 . 9 1 1 A 89 89 ARG CA C 1852 56.550 59.102 -2.552 1
1 990 . 9 1 1 A 89 89 ARG CB C 1852 30.260 29.416 0.844 1
1 993 . 9 1 1 A 89 89 ARG N N 1852 118.302 118.944 -0.642 1
1 994 . 9 1 1 A 90 90 GLN H H 1853 7.851 7.832 0.019 1
1 995 . 9 1 1 A 90 90 GLN HA H 1853 4.262 4.153 0.109 1
1 1002 . 9 1 1 A 90 90 GLN CA C 1853 55.609 57.672 -2.063 1
1 1003 . 9 1 1 A 90 90 GLN CB C 1853 29.554 28.904 0.650 1
1 1005 . 9 1 1 A 90 90 GLN N N 1853 119.450 117.839 1.611 1
1 1007 . 9 1 1 A 91 91 GLN H H 1854 8.710 7.540 1.170 1
1 1008 . 9 1 1 A 91 91 GLN HA H 1854 4.317 4.061 0.256 1
1 1015 . 9 1 1 A 91 91 GLN CA C 1854 55.609 58.262 -2.653 1
1 1016 . 9 1 1 A 91 91 GLN CB C 1854 29.554 28.484 1.070 1
1 1018 . 9 1 1 A 91 91 GLN N N 1854 120.675 118.034 2.641 1
1 1038 . 9 2 2 B 2 2 HIS HA H 51 4.636 4.732 -0.096 1
1 1043 . 9 2 2 B 2 2 HIS CA C 51 55.844 56.403 -0.559 1
1 1044 . 9 2 2 B 2 2 HIS CB C 51 30.495 30.377 0.118 1
1 1047 . 9 2 2 B 3 3 MET H H 52 8.230 8.494 -0.264 1
1 1048 . 9 2 2 B 3 3 MET HA H 52 4.430 4.730 -0.300 1
1 1053 . 9 2 2 B 3 3 MET CA C 52 54.903 54.501 0.402 1
1 1054 . 9 2 2 B 3 3 MET CB C 52 33.840 32.656 1.184 1
1 1056 . 9 2 2 B 3 3 MET N N 52 121.881 119.384 2.497 1
1 1057 . 9 2 2 B 4 4 ALA H H 53 8.269 7.428 0.841 1
1 1058 . 9 2 2 B 4 4 ALA HA H 53 4.586 4.398 0.188 1
1 1062 . 9 2 2 B 4 4 ALA CA C 53 51.255 50.883 0.372 1
1 1063 . 9 2 2 B 4 4 ALA CB C 53 18.796 18.056 0.740 1
1 1064 . 9 2 2 B 4 4 ALA N N 53 126.758 123.741 3.017 1
1 1065 . 9 2 2 B 5 5 PRO HA H 54 4.705 4.687 0.018 1
1 1072 . 9 2 2 B 5 5 PRO CA C 54 61.257 62.460 -1.203 1
1 1073 . 9 2 2 B 5 5 PRO CB C 54 30.966 32.806 -1.840 1
1 1076 . 9 2 2 B 6 6 GLU H H 55 8.468 8.016 0.452 1
1 1077 . 9 2 2 B 6 6 GLU HA H 55 4.150 4.971 -0.821 1
1 1082 . 9 2 2 B 6 6 GLU CA C 55 56.550 55.163 1.387 1
1 1083 . 9 2 2 B 6 6 GLU CB C 55 30.495 33.033 -2.538 1
1 1085 . 9 2 2 B 6 6 GLU N N 55 121.693 114.039 7.654 1
1 1086 . 9 2 2 B 7 7 ASP H H 56 8.574 8.827 -0.253 1
1 1087 . 9 2 2 B 7 7 ASP HA H 56 5.200 4.916 0.284 1
1 1090 . 9 2 2 B 7 7 ASP CA C 56 51.255 51.974 -0.719 1
1 1091 . 9 2 2 B 7 7 ASP CB C 56 42.262 43.763 -1.501 1
1 1092 . 9 2 2 B 7 7 ASP N N 56 120.873 119.132 1.741 1
1 1093 . 9 2 2 B 8 8 PRO HA H 57 4.465 4.460 0.005 1
1 1100 . 9 2 2 B 8 8 PRO CA C 57 63.610 64.185 -0.575 1
1 1101 . 9 2 2 B 8 8 PRO CB C 57 32.378 31.767 0.611 1
1 1104 . 9 2 2 B 9 9 ASN H H 58 8.301 8.422 -0.121 1
1 1105 . 9 2 2 B 9 9 ASN HA H 58 4.809 4.665 0.144 1
1 1110 . 9 2 2 B 9 9 ASN CA C 58 53.558 53.878 -0.320 1
1 1111 . 9 2 2 B 9 9 ASN CB C 58 38.497 39.090 -0.593 1
1 1112 . 9 2 2 B 9 9 ASN N N 58 117.190 116.304 0.886 1
1 1114 . 9 2 2 B 10 10 GLU H H 59 7.366 8.248 -0.882 1
1 1115 . 9 2 2 B 10 10 GLU HA H 59 3.641 4.007 -0.366 1
1 1120 . 9 2 2 B 10 10 GLU CA C 59 60.800 59.259 1.541 1
1 1121 . 9 2 2 B 10 10 GLU CB C 59 29.554 28.953 0.601 1
1 1123 . 9 2 2 B 10 10 GLU N N 59 122.354 118.620 3.734 1
1 1124 . 9 2 2 B 11 11 GLU H H 60 8.618 8.014 0.604 1
1 1125 . 9 2 2 B 11 11 GLU HA H 60 3.933 4.077 -0.144 1
1 1130 . 9 2 2 B 11 11 GLU CA C 60 59.139 58.889 0.250 1
1 1131 . 9 2 2 B 11 11 GLU CB C 60 29.830 29.150 0.680 1
1 1133 . 9 2 2 B 11 11 GLU N N 60 120.391 120.186 0.205 1
1 1134 . 9 2 2 B 12 12 ALA H H 61 8.280 7.864 0.416 1
1 1135 . 9 2 2 B 12 12 ALA HA H 61 4.180 4.017 0.163 1
1 1139 . 9 2 2 B 12 12 ALA CA C 61 55.205 54.975 0.230 1
1 1140 . 9 2 2 B 12 12 ALA CB C 61 20.695 18.148 2.547 1
1 1141 . 9 2 2 B 12 12 ALA N N 61 122.378 121.681 0.697 1
1 1142 . 9 2 2 B 13 13 VAL H H 62 7.773 7.707 0.066 1
1 1143 . 9 2 2 B 13 13 VAL HA H 62 3.974 3.265 0.709 1
1 1151 . 9 2 2 B 13 13 VAL CA C 62 66.199 64.638 1.561 1
1 1152 . 9 2 2 B 13 13 VAL CB C 62 31.907 31.555 0.352 1
1 1155 . 9 2 2 B 13 13 VAL N N 62 116.653 117.591 -0.938 1
1 1156 . 9 2 2 B 14 14 SER H H 63 8.288 7.934 0.354 1
1 1157 . 9 2 2 B 14 14 SER HA H 63 4.620 3.949 0.671 1
1 1160 . 9 2 2 B 14 14 SER CA C 63 60.786 61.982 -1.196 1
1 1161 . 9 2 2 B 14 14 SER CB C 63 62.434 62.703 -0.269 1
1 1162 . 9 2 2 B 14 14 SER N N 63 115.328 117.083 -1.755 1
1 1163 . 9 2 2 B 15 15 GLN H H 64 7.775 7.857 -0.082 1
1 1164 . 9 2 2 B 15 15 GLN HA H 64 4.190 4.096 0.094 1
1 1171 . 9 2 2 B 15 15 GLN CA C 64 57.492 58.376 -0.884 1
1 1172 . 9 2 2 B 15 15 GLN CB C 64 28.613 27.210 1.403 1
1 1174 . 9 2 2 B 15 15 GLN N N 64 119.350 118.463 0.887 1
1 1176 . 9 2 2 B 16 16 ILE H H 65 7.217 7.106 0.111 1
1 1177 . 9 2 2 B 16 16 ILE HA H 65 3.788 3.901 -0.113 1
1 1186 . 9 2 2 B 16 16 ILE CA C 65 61.492 63.219 -1.727 1
1 1187 . 9 2 2 B 16 16 ILE CB C 65 37.320 39.152 -1.832 1
1 1191 . 9 2 2 B 16 16 ILE N N 65 117.427 119.010 -1.583 1
1 1192 . 9 2 2 B 17 17 PHE H H 66 8.370 7.665 0.705 1
1 1193 . 9 2 2 B 17 17 PHE HA H 66 4.407 4.923 -0.516 1
1 1200 . 9 2 2 B 17 17 PHE CA C 66 55.374 54.630 0.744 1
1 1201 . 9 2 2 B 17 17 PHE CB C 66 42.270 39.168 3.102 1
1 1205 . 9 2 2 B 17 17 PHE N N 66 117.389 115.817 1.572 1
1 1206 . 9 2 2 B 18 18 PRO HA H 67 4.784 4.767 0.017 1
1 1213 . 9 2 2 B 18 18 PRO CA C 67 62.669 62.377 0.292 1
1 1214 . 9 2 2 B 18 18 PRO CB C 67 32.378 33.398 -1.020 1
1 1217 . 9 2 2 B 19 19 ASP H H 68 9.127 9.085 0.042 1
1 1218 . 9 2 2 B 19 19 ASP HA H 68 4.261 4.481 -0.220 1
1 1221 . 9 2 2 B 19 19 ASP CA C 68 57.927 56.869 1.058 1
1 1222 . 9 2 2 B 19 19 ASP CB C 68 40.451 40.422 0.029 1
1 1223 . 9 2 2 B 19 19 ASP N N 68 123.618 123.232 0.386 1
1 1224 . 9 2 2 B 20 20 SER H H 69 8.624 7.712 0.912 1
1 1225 . 9 2 2 B 20 20 SER HA H 69 4.816 4.333 0.483 1
1 1226 . 9 2 2 B 20 20 SER N N 69 112.914 111.643 1.271 1
1 1227 . 9 2 2 B 21 21 VAL H H 70 7.380 7.657 -0.277 1
1 1228 . 9 2 2 B 21 21 VAL HA H 70 3.958 4.748 -0.790 1
1 1236 . 9 2 2 B 21 21 VAL CA C 70 64.316 58.744 5.572 1
1 1237 . 9 2 2 B 21 21 VAL CB C 70 32.378 35.740 -3.362 1
1 1240 . 9 2 2 B 21 21 VAL N N 70 123.280 116.731 6.549 1
1 1241 . 9 2 2 B 22 22 MET H H 71 7.638 8.733 -1.095 1
1 1242 . 9 2 2 B 22 22 MET HA H 71 4.266 4.605 -0.339 1
1 1248 . 9 2 2 B 22 22 MET CA C 71 55.844 54.547 1.297 1
1 1249 . 9 2 2 B 22 22 MET CB C 71 31.907 30.524 1.383 1
1 1251 . 9 2 2 B 22 22 MET N N 71 117.825 122.300 -4.475 1
1 1252 . 9 2 2 B 23 23 LEU H H 72 8.102 8.050 0.052 1
1 1253 . 9 2 2 B 23 23 LEU HA H 72 4.132 4.037 0.095 1
1 1263 . 9 2 2 B 23 23 LEU CA C 72 56.786 57.509 -0.723 1
1 1264 . 9 2 2 B 23 23 LEU CB C 72 42.270 41.250 1.020 1
1 1268 . 9 2 2 B 23 23 LEU N N 72 119.633 123.419 -3.786 1
1 1269 . 9 2 2 B 24 24 ALA H H 73 7.464 8.279 -0.815 1
1 1270 . 9 2 2 B 24 24 ALA HA H 73 4.197 4.206 -0.009 1
1 1274 . 9 2 2 B 24 24 ALA CA C 73 84.840 54.505 30.335 1
1 1275 . 9 2 2 B 24 24 ALA CB C 73 19.266 18.517 0.749 1
1 1276 . 9 2 2 B 24 24 ALA N N 73 120.682 121.936 -1.254 1
1 1277 . 9 2 2 B 25 25 VAL H H 74 7.668 7.795 -0.127 1
1 1278 . 9 2 2 B 25 25 VAL HA H 74 4.258 3.859 0.399 1
1 1286 . 9 2 2 B 25 25 VAL CA C 74 62.434 64.248 -1.814 1
1 1287 . 9 2 2 B 25 25 VAL CB C 74 31.672 31.626 0.046 1
1 1290 . 9 2 2 B 25 25 VAL N N 74 112.530 116.917 -4.387 1
1 1291 . 9 2 2 B 26 26 GLN H H 75 7.806 8.145 -0.339 1
1 1292 . 9 2 2 B 26 26 GLN HA H 75 4.308 4.606 -0.298 1
1 1299 . 9 2 2 B 26 26 GLN CA C 75 56.786 55.965 0.821 1
1 1300 . 9 2 2 B 26 26 GLN CB C 75 29.554 31.090 -1.536 1
1 1302 . 9 2 2 B 26 26 GLN N N 75 121.794 116.073 5.721 1
1 1304 . 9 2 2 B 27 27 GLU H H 76 8.340 8.170 0.170 1
1 1305 . 9 2 2 B 27 27 GLU HA H 76 4.349 4.366 -0.017 1
1 1310 . 9 2 2 B 27 27 GLU CA C 76 56.315 56.538 -0.223 1
1 1311 . 9 2 2 B 27 27 GLU CB C 76 30.495 31.195 -0.700 1
1 1313 . 9 2 2 B 27 27 GLU N N 76 120.410 121.469 -1.059 1
1 1314 . 9 2 2 B 28 28 GLY H H 77 8.295 8.467 -0.172 1
1 1315 . 9 2 2 B 28 28 GLY HA2 H 77 3.938 4.419 -0.481 1
1 1316 . 9 2 2 B 28 28 GLY HA3 H 77 4.190 4.425 -0.235 1
1 1317 . 9 2 2 B 28 28 GLY CA C 77 45.792 44.106 1.686 1
1 1318 . 9 2 2 B 28 28 GLY N N 77 109.255 111.150 -1.895 1
1 1319 . 9 2 2 B 29 29 ILE H H 78 7.889 9.295 -1.406 1
1 1320 . 9 2 2 B 29 29 ILE HA H 78 4.166 4.715 -0.549 1
1 1330 . 9 2 2 B 29 29 ILE CA C 78 60.786 60.257 0.529 1
1 1331 . 9 2 2 B 29 29 ILE CB C 78 39.203 40.048 -0.845 1
1 1335 . 9 2 2 B 29 29 ILE N N 78 119.126 122.037 -2.911 1
1 1336 . 9 2 2 B 30 30 ASP H H 79 8.442 9.167 -0.725 1
1 1337 . 9 2 2 B 30 30 ASP HA H 79 4.577 4.783 -0.206 1
1 1340 . 9 2 2 B 30 30 ASP CA C 79 55.255 53.447 1.808 1
1 1341 . 9 2 2 B 30 30 ASP CB C 79 41.850 38.801 3.049 1
1 1342 . 9 2 2 B 30 30 ASP N N 79 123.665 129.364 -5.699 1
1 1343 . 9 2 2 B 31 31 LEU H H 80 8.141 7.766 0.375 1
1 1344 . 9 2 2 B 31 31 LEU HA H 80 4.292 4.022 0.270 1
1 1354 . 9 2 2 B 31 31 LEU CA C 80 55.205 57.292 -2.087 1
1 1355 . 9 2 2 B 31 31 LEU CB C 80 42.262 42.105 0.157 1
1 1359 . 9 2 2 B 31 31 LEU N N 80 122.359 122.508 -0.149 1
1 1360 . 9 2 2 B 32 32 LEU H H 81 8.840 7.864 0.976 1
1 1361 . 9 2 2 B 32 32 LEU HA H 81 4.256 4.295 -0.039 1
1 1371 . 9 2 2 B 32 32 LEU CA C 81 54.903 57.294 -2.391 1
1 1372 . 9 2 2 B 32 32 LEU CB C 81 42.497 41.333 1.164 1
1 1376 . 9 2 2 B 32 32 LEU N N 81 120.762 118.615 2.147 1
1 1377 . 9 2 2 B 33 33 THR H H 82 7.728 7.885 -0.157 1
1 1378 . 9 2 2 B 33 33 THR HA H 82 4.226 4.117 0.109 1
1 1383 . 9 2 2 B 33 33 THR CA C 82 61.220 64.530 -3.310 1
1 1384 . 9 2 2 B 33 33 THR CB C 82 69.494 68.742 0.752 1
1 1386 . 9 2 2 B 33 33 THR N N 82 113.606 113.775 -0.169 1
1 1387 . 9 2 2 B 34 34 PHE H H 83 8.181 7.734 0.447 1
1 1388 . 9 2 2 B 34 34 PHE HA H 83 4.825 4.598 0.227 1
1 1395 . 9 2 2 B 34 34 PHE CA C 83 55.138 56.119 -0.981 1
1 1396 . 9 2 2 B 34 34 PHE CB C 83 39.203 38.971 0.232 1
1 1399 . 9 2 2 B 34 34 PHE N N 83 123.600 119.220 4.380 1
1 1400 . 9 2 2 B 35 35 PRO HA H 84 4.765 4.231 0.534 1
1 1407 . 9 2 2 B 35 35 PRO CA C 84 62.900 65.976 -3.076 1
1 1408 . 9 2 2 B 35 35 PRO CB C 84 32.538 31.429 1.109 1
1 1411 . 9 2 2 B 36 36 PRO HA H 85 4.422 4.319 0.103 1
1 1418 . 9 2 2 B 36 36 PRO CA C 85 62.434 62.172 0.262 1
1 1419 . 9 2 2 B 36 36 PRO CB C 85 32.143 32.201 -0.058 1
1 1422 . 9 2 2 B 37 37 ALA H H 86 8.370 8.352 0.018 1
1 1423 . 9 2 2 B 37 37 ALA HA H 86 4.429 3.879 0.550 1
1 1427 . 9 2 2 B 37 37 ALA CA C 86 50.263 52.418 -2.155 1
1 1428 . 9 2 2 B 37 37 ALA CB C 86 19.972 17.617 2.355 1
1 1429 . 9 2 2 B 37 37 ALA N N 86 125.277 122.954 2.323 1
1 1430 . 9 2 2 B 38 38 PRO HA H 87 4.388 4.649 -0.261 1
1 1437 . 9 2 2 B 38 38 PRO CA C 87 63.140 63.131 0.009 1
1 1438 . 9 2 2 B 38 38 PRO CB C 87 32.143 31.899 0.244 1
1 1441 . 9 2 2 B 39 39 GLY H H 88 8.503 8.578 -0.075 1
1 1442 . 9 2 2 B 39 39 GLY HA2 H 88 3.895 4.102 -0.207 1
1 1443 . 9 2 2 B 39 39 GLY HA3 H 88 3.981 4.126 -0.145 1
1 1444 . 9 2 2 B 39 39 GLY CA C 88 74.671 44.363 30.308 1
1 1445 . 9 2 2 B 39 39 GLY N N 88 109.831 108.906 0.925 1
1 1446 . 9 2 2 B 40 40 SER H H 89 8.800 8.584 0.216 1
1 1447 . 9 2 2 B 40 40 SER HA H 89 4.748 4.420 0.328 1
1 1450 . 9 2 2 B 40 40 SER CA C 89 56.800 56.965 -0.165 1
1 1451 . 9 2 2 B 40 40 SER CB C 89 63.140 63.346 -0.206 1
1 1452 . 9 2 2 B 40 40 SER N N 89 116.937 115.022 1.915 1
1 1453 . 9 2 2 B 41 41 PRO HA H 90 4.441 4.549 -0.108 1
1 1460 . 9 2 2 B 41 41 PRO CA C 90 63.140 63.996 -0.856 1
1 1461 . 9 2 2 B 41 41 PRO CB C 90 32.143 32.543 -0.400 1
1 6 . 10 1 1 A 2 2 PRO HA H 1765 4.433 4.286 0.147 1
1 13 . 10 1 1 A 2 2 PRO CA C 1765 64.810 65.657 -0.847 1
1 14 . 10 1 1 A 2 2 PRO CB C 1765 31.907 31.768 0.139 1
1 17 . 10 1 1 A 3 3 GLN H H 1766 8.442 8.167 0.275 1
1 18 . 10 1 1 A 3 3 GLN HA H 1766 3.889 4.101 -0.212 1
1 25 . 10 1 1 A 3 3 GLN CA C 1766 59.103 58.670 0.433 1
1 26 . 10 1 1 A 3 3 GLN CB C 1766 28.595 28.770 -0.175 1
1 28 . 10 1 1 A 3 3 GLN N N 1766 115.685 117.552 -1.867 1
1 30 . 10 1 1 A 4 4 GLU H H 1767 8.161 8.318 -0.157 1
1 31 . 10 1 1 A 4 4 GLU HA H 1767 4.197 4.050 0.147 1
1 36 . 10 1 1 A 4 4 GLU CA C 1767 57.727 59.634 -1.907 1
1 37 . 10 1 1 A 4 4 GLU CB C 1767 30.250 29.244 1.006 1
1 39 . 10 1 1 A 4 4 GLU N N 1767 121.941 119.689 2.252 1
1 40 . 10 1 1 A 5 5 SER H H 1768 8.291 8.098 0.193 1
1 41 . 10 1 1 A 5 5 SER HA H 1768 4.280 4.075 0.205 1
1 44 . 10 1 1 A 5 5 SER CA C 1768 60.800 61.520 -0.720 1
1 45 . 10 1 1 A 5 5 SER CB C 1768 63.435 62.886 0.549 1
1 46 . 10 1 1 A 5 5 SER N N 1768 116.360 114.131 2.229 1
1 47 . 10 1 1 A 6 6 ARG H H 1769 7.935 8.161 -0.226 1
1 48 . 10 1 1 A 6 6 ARG HA H 1769 4.120 4.075 0.045 1
1 52 . 10 1 1 A 6 6 ARG N N 1769 122.139 121.707 0.432 1
1 53 . 10 1 1 A 7 7 ARG H H 1770 7.952 7.667 0.285 1
1 54 . 10 1 1 A 7 7 ARG HA H 1770 3.939 4.006 -0.067 1
1 61 . 10 1 1 A 7 7 ARG N N 1770 119.527 119.799 -0.272 1
1 62 . 10 1 1 A 8 8 LEU H H 1771 8.120 8.494 -0.374 1
1 63 . 10 1 1 A 8 8 LEU HA H 1771 4.188 3.998 0.190 1
1 73 . 10 1 1 A 8 8 LEU CA C 1771 56.786 57.827 -1.041 1
1 74 . 10 1 1 A 8 8 LEU CB C 1771 41.556 41.662 -0.106 1
1 78 . 10 1 1 A 8 8 LEU N N 1771 120.237 120.309 -0.072 1
1 79 . 10 1 1 A 9 9 SER H H 1772 8.860 7.993 0.867 1
1 80 . 10 1 1 A 9 9 SER HA H 1772 4.224 4.026 0.198 1
1 83 . 10 1 1 A 9 9 SER CA C 1772 61.728 62.482 -0.754 1
1 84 . 10 1 1 A 9 9 SER CB C 1772 62.198 63.079 -0.881 1
1 85 . 10 1 1 A 9 9 SER N N 1772 116.214 113.936 2.278 1
1 86 . 10 1 1 A 10 10 ILE H H 1773 8.133 7.680 0.453 1
1 87 . 10 1 1 A 10 10 ILE HA H 1773 3.510 3.517 -0.007 1
1 97 . 10 1 1 A 10 10 ILE CA C 1773 64.787 65.287 -0.500 1
1 98 . 10 1 1 A 10 10 ILE CB C 1773 38.732 37.505 1.227 1
1 102 . 10 1 1 A 10 10 ILE N N 1773 122.927 121.205 1.722 1
1 103 . 10 1 1 A 11 11 GLN H H 1774 8.250 8.028 0.222 1
1 104 . 10 1 1 A 11 11 GLN HA H 1774 3.980 4.044 -0.064 1
1 111 . 10 1 1 A 11 11 GLN CA C 1774 58.900 58.181 0.719 1
1 113 . 10 1 1 A 11 11 GLN N N 1774 118.893 119.985 -1.092 1
1 115 . 10 1 1 A 12 12 ARG H H 1775 8.272 7.728 0.544 1
1 116 . 10 1 1 A 12 12 ARG HA H 1775 4.168 4.097 0.071 1
1 123 . 10 1 1 A 12 12 ARG CA C 1775 57.730 59.523 -1.793 1
1 126 . 10 1 1 A 12 12 ARG N N 1775 119.560 119.158 0.402 1
1 127 . 10 1 1 A 13 13 CYS HA H 1776 4.176 4.139 0.037 1
1 130 . 10 1 1 A 13 13 CYS CA C 1776 63.610 62.193 1.417 1
1 131 . 10 1 1 A 13 13 CYS CB C 1776 26.965 27.568 -0.603 1
1 132 . 10 1 1 A 14 14 ILE H H 1777 8.597 8.021 0.576 1
1 133 . 10 1 1 A 14 14 ILE HA H 1777 3.735 3.723 0.012 1
1 143 . 10 1 1 A 14 14 ILE CA C 1777 65.220 64.722 0.498 1
1 144 . 10 1 1 A 14 14 ILE CB C 1777 37.320 37.200 0.120 1
1 148 . 10 1 1 A 14 14 ILE N N 1777 120.174 120.484 -0.310 1
1 149 . 10 1 1 A 15 15 GLN H H 1778 8.105 8.033 0.072 1
1 150 . 10 1 1 A 15 15 GLN HA H 1778 4.700 4.032 0.668 1
1 157 . 10 1 1 A 15 15 GLN CA C 1778 59.139 59.099 0.040 1
1 158 . 10 1 1 A 15 15 GLN CB C 1778 28.377 28.476 -0.099 1
1 160 . 10 1 1 A 15 15 GLN N N 1778 119.677 121.216 -1.539 1
1 162 . 10 1 1 A 16 16 SER H H 1779 8.115 7.763 0.352 1
1 163 . 10 1 1 A 16 16 SER HA H 1779 4.407 4.285 0.122 1
1 166 . 10 1 1 A 16 16 SER CA C 1779 61.963 61.284 0.679 1
1 167 . 10 1 1 A 16 16 SER CB C 1779 63.425 62.914 0.511 1
1 168 . 10 1 1 A 16 16 SER N N 1779 116.542 115.493 1.049 1
1 169 . 10 1 1 A 17 17 LEU H H 1780 8.496 7.934 0.562 1
1 170 . 10 1 1 A 17 17 LEU HA H 1780 3.970 4.032 -0.062 1
1 180 . 10 1 1 A 17 17 LEU CA C 1780 58.286 58.258 0.028 1
1 181 . 10 1 1 A 17 17 LEU CB C 1780 42.262 41.725 0.537 1
1 185 . 10 1 1 A 17 17 LEU N N 1780 124.870 122.788 2.082 1
1 186 . 10 1 1 A 18 18 VAL H H 1781 8.540 8.094 0.446 1
1 187 . 10 1 1 A 18 18 VAL HA H 1781 3.246 3.517 -0.271 1
1 195 . 10 1 1 A 18 18 VAL CA C 1781 66.905 66.637 0.268 1
1 196 . 10 1 1 A 18 18 VAL CB C 1781 31.672 31.609 0.063 1
1 199 . 10 1 1 A 18 18 VAL N N 1781 119.345 119.085 0.260 1
1 200 . 10 1 1 A 19 19 HIS H H 1782 7.944 8.255 -0.311 1
1 201 . 10 1 1 A 19 19 HIS HA H 1782 4.191 4.092 0.099 1
1 206 . 10 1 1 A 19 19 HIS CA C 1782 59.845 60.221 -0.376 1
1 207 . 10 1 1 A 19 19 HIS CB C 1782 26.965 29.814 -2.849 1
1 210 . 10 1 1 A 19 19 HIS N N 1782 116.521 119.168 -2.647 1
1 211 . 10 1 1 A 20 20 ALA H H 1783 9.830 8.664 1.166 1
1 212 . 10 1 1 A 20 20 ALA HA H 1783 4.367 4.023 0.344 1
1 216 . 10 1 1 A 20 20 ALA CA C 1783 55.191 55.116 0.075 1
1 217 . 10 1 1 A 20 20 ALA CB C 1783 20.695 18.334 2.361 1
1 218 . 10 1 1 A 20 20 ALA N N 1783 121.753 120.465 1.288 1
1 219 . 10 1 1 A 21 21 CYS H H 1784 7.913 7.944 -0.031 1
1 220 . 10 1 1 A 21 21 CYS HA H 1784 4.236 4.248 -0.012 1
1 223 . 10 1 1 A 21 21 CYS CA C 1784 61.963 60.864 1.099 1
1 224 . 10 1 1 A 21 21 CYS CB C 1784 26.965 27.213 -0.248 1
1 225 . 10 1 1 A 21 21 CYS N N 1784 112.237 115.139 -2.902 1
1 226 . 10 1 1 A 22 22 GLN H H 1785 7.320 7.873 -0.553 1
1 227 . 10 1 1 A 22 22 GLN HA H 1785 4.475 4.389 0.086 1
1 234 . 10 1 1 A 22 22 GLN CA C 1785 54.970 55.175 -0.205 1
1 235 . 10 1 1 A 22 22 GLN CB C 1785 30.731 29.442 1.289 1
1 237 . 10 1 1 A 22 22 GLN N N 1785 115.939 115.625 0.314 1
1 239 . 10 1 1 A 23 23 CYS H H 1786 7.268 7.346 -0.078 1
1 240 . 10 1 1 A 23 23 CYS HA H 1786 3.898 4.111 -0.213 1
1 243 . 10 1 1 A 23 23 CYS CA C 1786 60.800 59.975 0.825 1
1 244 . 10 1 1 A 23 23 CYS CB C 1786 28.848 28.515 0.333 1
1 245 . 10 1 1 A 23 23 CYS N N 1786 124.452 120.123 4.329 1
1 246 . 10 1 1 A 24 24 ARG H H 1787 8.854 8.867 -0.013 1
1 247 . 10 1 1 A 24 24 ARG HA H 1787 4.539 4.276 0.263 1
1 254 . 10 1 1 A 24 24 ARG CA C 1787 54.735 57.720 -2.985 1
1 255 . 10 1 1 A 24 24 ARG CB C 1787 30.250 30.395 -0.145 1
1 258 . 10 1 1 A 24 24 ARG N N 1787 130.523 127.905 2.618 1
1 259 . 10 1 1 A 25 25 ASN H H 1788 7.553 7.743 -0.190 1
1 260 . 10 1 1 A 25 25 ASN HA H 1788 4.799 4.948 -0.149 1
1 265 . 10 1 1 A 25 25 ASN CA C 1788 51.911 52.059 -0.148 1
1 266 . 10 1 1 A 25 25 ASN CB C 1788 39.203 40.377 -1.174 1
1 267 . 10 1 1 A 25 25 ASN N N 1788 119.613 118.297 1.316 1
1 269 . 10 1 1 A 26 26 ALA H H 1789 9.185 9.101 0.084 1
1 270 . 10 1 1 A 26 26 ALA HA H 1789 4.740 4.040 0.700 1
1 274 . 10 1 1 A 26 26 ALA CA C 1789 54.264 54.781 -0.517 1
1 275 . 10 1 1 A 26 26 ALA CB C 1789 18.796 18.473 0.323 1
1 276 . 10 1 1 A 26 26 ALA N N 1789 130.841 128.805 2.036 1
1 277 . 10 1 1 A 27 27 ASN H H 1790 8.520 7.763 0.757 1
1 278 . 10 1 1 A 27 27 ASN HA H 1790 4.761 4.865 -0.104 1
1 283 . 10 1 1 A 27 27 ASN CA C 1790 51.911 53.534 -1.623 1
1 284 . 10 1 1 A 27 27 ASN CB C 1790 38.967 39.123 -0.156 1
1 285 . 10 1 1 A 27 27 ASN N N 1790 113.345 113.725 -0.380 1
1 287 . 10 1 1 A 28 28 CYS H H 1791 7.224 7.238 -0.014 1
1 288 . 10 1 1 A 28 28 CYS HA H 1791 4.950 4.259 0.691 1
1 291 . 10 1 1 A 28 28 CYS CA C 1791 61.257 60.324 0.933 1
1 292 . 10 1 1 A 28 28 CYS CB C 1791 30.495 29.026 1.469 1
1 293 . 10 1 1 A 28 28 CYS N N 1791 123.463 120.434 3.029 1
1 294 . 10 1 1 A 29 29 SER H H 1792 8.811 8.869 -0.058 1
1 295 . 10 1 1 A 29 29 SER HA H 1792 4.449 4.496 -0.047 1
1 298 . 10 1 1 A 29 29 SER CA C 1792 57.492 59.439 -1.947 1
1 299 . 10 1 1 A 29 29 SER CB C 1792 63.835 63.710 0.125 1
1 300 . 10 1 1 A 29 29 SER N N 1792 125.781 121.500 4.281 1
1 301 . 10 1 1 A 30 30 LEU H H 1793 7.851 7.367 0.484 1
1 302 . 10 1 1 A 30 30 LEU HA H 1793 4.507 4.445 0.062 1
1 312 . 10 1 1 A 30 30 LEU CA C 1793 53.558 53.099 0.459 1
1 313 . 10 1 1 A 30 30 LEU CB C 1793 42.270 43.476 -1.206 1
1 317 . 10 1 1 A 30 30 LEU N N 1793 125.656 123.712 1.944 1
1 318 . 10 1 1 A 31 31 PRO HA H 1794 4.363 4.298 0.065 1
1 325 . 10 1 1 A 31 31 PRO CA C 1794 64.787 64.919 -0.132 1
1 326 . 10 1 1 A 31 31 PRO CB C 1794 32.708 32.005 0.703 1
1 329 . 10 1 1 A 32 32 SER H H 1795 8.625 8.222 0.403 1
1 330 . 10 1 1 A 32 32 SER HA H 1795 4.309 4.173 0.136 1
1 332 . 10 1 1 A 32 32 SER CA C 1795 60.124 61.589 -1.465 1
1 333 . 10 1 1 A 32 32 SER CB C 1795 62.982 62.656 0.326 1
1 334 . 10 1 1 A 32 32 SER N N 1795 112.707 113.398 -0.691 1
1 335 . 10 1 1 A 33 33 CYS H H 1796 6.679 8.023 -1.344 1
1 336 . 10 1 1 A 33 33 CYS HA H 1796 4.108 3.961 0.147 1
1 339 . 10 1 1 A 33 33 CYS CA C 1796 62.669 62.734 -0.065 1
1 340 . 10 1 1 A 33 33 CYS CB C 1796 30.495 26.470 4.025 1
1 341 . 10 1 1 A 33 33 CYS N N 1796 126.200 120.971 5.229 1
1 342 . 10 1 1 A 34 34 GLN H H 1797 7.870 8.037 -0.167 1
1 343 . 10 1 1 A 34 34 GLN HA H 1797 3.867 3.924 -0.057 1
1 350 . 10 1 1 A 34 34 GLN CA C 1797 59.140 59.126 0.014 1
1 351 . 10 1 1 A 34 34 GLN CB C 1797 31.360 27.961 3.399 1
1 353 . 10 1 1 A 34 34 GLN N N 1797 115.529 119.313 -3.784 1
1 355 . 10 1 1 A 35 35 LYS H H 1798 8.340 7.764 0.576 1
1 356 . 10 1 1 A 35 35 LYS HA H 1798 4.240 4.061 0.179 1
1 365 . 10 1 1 A 35 35 LYS CA C 1798 58.904 59.344 -0.440 1
1 366 . 10 1 1 A 35 35 LYS CB C 1798 32.686 32.261 0.425 1
1 370 . 10 1 1 A 35 35 LYS N N 1798 117.144 119.608 -2.464 1
1 371 . 10 1 1 A 36 36 MET H H 1799 8.163 8.498 -0.335 1
1 372 . 10 1 1 A 36 36 MET HA H 1799 4.369 4.021 0.348 1
1 380 . 10 1 1 A 36 36 MET CA C 1799 56.474 59.213 -2.739 1
1 381 . 10 1 1 A 36 36 MET CB C 1799 31.110 32.204 -1.094 1
1 384 . 10 1 1 A 36 36 MET N N 1799 117.485 119.604 -2.119 1
1 385 . 10 1 1 A 37 37 LYS H H 1800 9.337 8.149 1.188 1
1 386 . 10 1 1 A 37 37 LYS HA H 1800 3.840 3.985 -0.145 1
1 395 . 10 1 1 A 37 37 LYS CA C 1800 61.200 60.058 1.142 1
1 396 . 10 1 1 A 37 37 LYS CB C 1800 32.691 32.192 0.499 1
1 400 . 10 1 1 A 37 37 LYS N N 1800 120.830 118.632 2.198 1
1 401 . 10 1 1 A 38 38 ARG H H 1801 7.399 7.636 -0.237 1
1 402 . 10 1 1 A 38 38 ARG HA H 1801 4.490 4.080 0.410 1
1 409 . 10 1 1 A 38 38 ARG CA C 1801 59.263 59.476 -0.213 1
1 410 . 10 1 1 A 38 38 ARG CB C 1801 31.179 30.250 0.929 1
1 413 . 10 1 1 A 38 38 ARG N N 1801 118.965 119.367 -0.402 1
1 414 . 10 1 1 A 39 39 VAL H H 1802 8.420 7.853 0.567 1
1 415 . 10 1 1 A 39 39 VAL HA H 1802 3.239 3.817 -0.578 1
1 423 . 10 1 1 A 39 39 VAL CA C 1802 67.140 65.508 1.632 1
1 424 . 10 1 1 A 39 39 VAL CB C 1802 31.685 31.475 0.210 1
1 427 . 10 1 1 A 39 39 VAL N N 1802 123.140 115.836 7.304 1
1 428 . 10 1 1 A 40 40 VAL H H 1803 8.195 8.197 -0.002 1
1 429 . 10 1 1 A 40 40 VAL HA H 1803 3.403 3.591 -0.188 1
1 437 . 10 1 1 A 40 40 VAL CA C 1803 66.905 66.706 0.199 1
1 438 . 10 1 1 A 40 40 VAL CB C 1803 31.907 31.284 0.623 1
1 441 . 10 1 1 A 40 40 VAL N N 1803 118.716 120.879 -2.163 1
1 442 . 10 1 1 A 41 41 GLN H H 1804 8.310 8.209 0.101 1
1 443 . 10 1 1 A 41 41 GLN HA H 1804 3.916 4.082 -0.166 1
1 450 . 10 1 1 A 41 41 GLN CA C 1804 58.591 58.914 -0.323 1
1 451 . 10 1 1 A 41 41 GLN CB C 1804 28.561 28.286 0.275 1
1 453 . 10 1 1 A 41 41 GLN N N 1804 119.193 118.886 0.307 1
1 455 . 10 1 1 A 42 42 HIS H H 1805 8.152 7.932 0.220 1
1 456 . 10 1 1 A 42 42 HIS HA H 1805 4.222 4.356 -0.134 1
1 461 . 10 1 1 A 42 42 HIS CA C 1805 59.139 59.428 -0.289 1
1 462 . 10 1 1 A 42 42 HIS CB C 1805 27.201 30.280 -3.079 1
1 465 . 10 1 1 A 42 42 HIS N N 1805 118.579 121.524 -2.945 1
1 466 . 10 1 1 A 43 43 THR H H 1806 7.997 8.474 -0.477 1
1 467 . 10 1 1 A 43 43 THR HA H 1806 3.888 4.083 -0.195 1
1 473 . 10 1 1 A 43 43 THR CA C 1806 65.728 65.431 0.297 1
1 474 . 10 1 1 A 43 43 THR CB C 1806 69.023 69.031 -0.008 1
1 476 . 10 1 1 A 43 43 THR N N 1806 113.599 113.813 -0.214 1
1 477 . 10 1 1 A 44 44 LYS H H 1807 7.381 8.663 -1.282 1
1 478 . 10 1 1 A 44 44 LYS HA H 1807 4.190 4.195 -0.005 1
1 487 . 10 1 1 A 44 44 LYS CA C 1807 58.668 58.144 0.524 1
1 488 . 10 1 1 A 44 44 LYS CB C 1807 32.731 31.255 1.476 1
1 492 . 10 1 1 A 44 44 LYS N N 1807 120.270 119.716 0.554 1
1 493 . 10 1 1 A 45 45 GLY H H 1808 7.610 7.909 -0.299 1
1 494 . 10 1 1 A 45 45 GLY HA2 H 1808 3.610 4.031 -0.421 1
1 495 . 10 1 1 A 45 45 GLY HA3 H 1808 4.380 4.048 0.332 1
1 496 . 10 1 1 A 45 45 GLY CA C 1808 44.851 45.269 -0.418 1
1 497 . 10 1 1 A 45 45 GLY N N 1808 125.480 106.776 18.704 1
1 498 . 10 1 1 A 46 46 CYS H H 1809 6.898 7.580 -0.682 1
1 499 . 10 1 1 A 46 46 CYS HA H 1809 3.957 4.297 -0.340 1
1 502 . 10 1 1 A 46 46 CYS CA C 1809 60.551 59.256 1.295 1
1 503 . 10 1 1 A 46 46 CYS CB C 1809 30.260 28.317 1.943 1
1 504 . 10 1 1 A 46 46 CYS N N 1809 123.457 120.194 3.263 1
1 505 . 10 1 1 A 47 47 LYS HA H 1810 4.471 4.582 -0.111 1
1 514 . 10 1 1 A 47 47 LYS CA C 1810 56.800 56.919 -0.119 1
1 515 . 10 1 1 A 47 47 LYS CB C 1810 33.840 32.817 1.023 1
1 518 . 10 1 1 A 48 48 ARG H H 1811 8.575 7.628 0.947 1
1 519 . 10 1 1 A 48 48 ARG HA H 1811 4.366 4.583 -0.217 1
1 526 . 10 1 1 A 48 48 ARG CA C 1811 57.256 57.698 -0.442 1
1 527 . 10 1 1 A 48 48 ARG CB C 1811 32.143 32.666 -0.523 1
1 530 . 10 1 1 A 48 48 ARG N N 1811 122.731 119.258 3.473 1
1 531 . 10 1 1 A 49 49 LYS H H 1812 8.663 7.704 0.959 1
1 532 . 10 1 1 A 49 49 LYS HA H 1812 4.521 4.126 0.395 1
1 539 . 10 1 1 A 49 49 LYS CA C 1812 57.256 58.361 -1.105 1
1 540 . 10 1 1 A 49 49 LYS CB C 1812 32.378 31.163 1.215 1
1 543 . 10 1 1 A 49 49 LYS N N 1812 118.409 118.048 0.361 1
1 544 . 10 1 1 A 50 50 THR HA H 1813 4.710 3.977 0.733 1
1 549 . 10 1 1 A 50 50 THR CA C 1813 63.846 65.231 -1.385 1
1 550 . 10 1 1 A 50 50 THR CB C 1813 68.317 68.385 -0.068 1
1 552 . 10 1 1 A 51 51 ASN HA H 1814 4.676 4.378 0.298 1
1 557 . 10 1 1 A 51 51 ASN CA C 1814 82.908 56.325 26.583 1
1 558 . 10 1 1 A 51 51 ASN CB C 1814 38.732 38.559 0.173 1
1 560 . 10 1 1 A 52 52 GLY H H 1815 7.879 7.642 0.237 1
1 561 . 10 1 1 A 52 52 GLY HA2 H 1815 4.300 3.955 0.345 1
1 562 . 10 1 1 A 52 52 GLY HA3 H 1815 3.831 3.958 -0.127 1
1 563 . 10 1 1 A 52 52 GLY CA C 1815 45.557 45.339 0.218 1
1 564 . 10 1 1 A 52 52 GLY N N 1815 129.890 105.704 24.186 1
1 565 . 10 1 1 A 53 53 GLY H H 1816 7.765 7.541 0.224 1
1 566 . 10 1 1 A 53 53 GLY HA2 H 1816 3.885 3.942 -0.057 1
1 567 . 10 1 1 A 53 53 GLY HA3 H 1816 3.985 3.945 0.040 1
1 568 . 10 1 1 A 53 53 GLY CA C 1816 45.792 45.426 0.366 1
1 569 . 10 1 1 A 53 53 GLY N N 1816 128.949 107.820 21.129 1
1 570 . 10 1 1 A 54 54 CYS H H 1817 8.800 8.115 0.685 1
1 571 . 10 1 1 A 54 54 CYS HA H 1817 4.821 4.530 0.291 1
1 574 . 10 1 1 A 54 54 CYS CA C 1817 55.138 57.516 -2.378 1
1 575 . 10 1 1 A 54 54 CYS CB C 1817 30.966 28.908 2.058 1
1 576 . 10 1 1 A 54 54 CYS N N 1817 122.429 119.261 3.168 1
1 577 . 10 1 1 A 55 55 PRO HA H 1818 4.330 4.295 0.035 1
1 584 . 10 1 1 A 55 55 PRO CA C 1818 64.787 65.457 -0.670 1
1 585 . 10 1 1 A 55 55 PRO CB C 1818 32.613 31.848 0.765 1
1 588 . 10 1 1 A 56 56 VAL H H 1819 7.750 7.340 0.410 1
1 589 . 10 1 1 A 56 56 VAL HA H 1819 3.884 3.661 0.223 1
1 597 . 10 1 1 A 56 56 VAL CA C 1819 65.728 65.884 -0.156 1
1 598 . 10 1 1 A 56 56 VAL CB C 1819 32.849 31.274 1.575 1
1 601 . 10 1 1 A 56 56 VAL N N 1819 121.605 115.583 6.022 1
1 602 . 10 1 1 A 57 57 CYS H H 1820 8.884 8.096 0.788 1
1 603 . 10 1 1 A 57 57 CYS HA H 1820 4.106 3.930 0.176 1
1 606 . 10 1 1 A 57 57 CYS CA C 1820 65.728 63.883 1.845 1
1 607 . 10 1 1 A 57 57 CYS CB C 1820 30.250 26.930 3.320 1
1 608 . 10 1 1 A 57 57 CYS N N 1820 124.260 117.551 6.709 1
1 609 . 10 1 1 A 58 58 LYS H H 1821 8.133 8.081 0.052 1
1 610 . 10 1 1 A 58 58 LYS HA H 1821 3.942 3.846 0.096 1
1 619 . 10 1 1 A 58 58 LYS CA C 1821 59.610 59.771 -0.161 1
1 620 . 10 1 1 A 58 58 LYS CB C 1821 32.849 32.345 0.504 1
1 624 . 10 1 1 A 58 58 LYS N N 1821 117.129 121.196 -4.067 1
1 625 . 10 1 1 A 59 59 GLN H H 1822 7.318 7.886 -0.568 1
1 626 . 10 1 1 A 59 59 GLN HA H 1822 4.357 3.998 0.359 1
1 632 . 10 1 1 A 59 59 GLN N N 1822 117.943 118.670 -0.727 1
1 633 . 10 1 1 A 60 60 LEU H H 1823 8.667 7.783 0.884 1
1 634 . 10 1 1 A 60 60 LEU HA H 1823 4.950 4.010 0.940 1
1 647 . 10 1 1 A 60 60 LEU N N 1823 120.670 119.821 0.849 1
1 648 . 10 1 1 A 61 61 ILE H H 1824 8.780 8.054 0.726 1
1 649 . 10 1 1 A 61 61 ILE HA H 1824 3.614 3.508 0.106 1
1 659 . 10 1 1 A 61 61 ILE CA C 1824 64.787 65.283 -0.496 1
1 660 . 10 1 1 A 61 61 ILE CB C 1824 37.320 37.043 0.277 1
1 664 . 10 1 1 A 61 61 ILE N N 1824 119.837 119.171 0.666 1
1 665 . 10 1 1 A 62 62 ALA H H 1825 7.675 8.336 -0.661 1
1 666 . 10 1 1 A 62 62 ALA HA H 1825 4.112 4.090 0.022 1
1 670 . 10 1 1 A 62 62 ALA CA C 1825 55.374 55.405 -0.031 1
1 671 . 10 1 1 A 62 62 ALA CB C 1825 18.560 18.498 0.062 1
1 672 . 10 1 1 A 62 62 ALA N N 1825 122.779 122.599 0.180 1
1 673 . 10 1 1 A 63 63 LEU H H 1826 7.983 7.930 0.053 1
1 674 . 10 1 1 A 63 63 LEU HA H 1826 4.114 3.996 0.118 1
1 684 . 10 1 1 A 63 63 LEU CA C 1826 58.334 58.036 0.298 1
1 685 . 10 1 1 A 63 63 LEU CB C 1826 42.821 41.562 1.259 1
1 689 . 10 1 1 A 63 63 LEU N N 1826 118.291 117.418 0.873 1
1 690 . 10 1 1 A 64 64 CYS H H 1827 8.663 8.379 0.284 1
1 691 . 10 1 1 A 64 64 CYS HA H 1827 4.350 4.239 0.111 1
1 694 . 10 1 1 A 64 64 CYS CA C 1827 64.800 62.859 1.941 1
1 695 . 10 1 1 A 64 64 CYS CB C 1827 26.495 26.383 0.112 1
1 696 . 10 1 1 A 64 64 CYS N N 1827 118.409 117.776 0.633 1
1 697 . 10 1 1 A 65 65 CYS H H 1828 8.672 8.410 0.262 1
1 698 . 10 1 1 A 65 65 CYS HA H 1828 4.152 4.088 0.064 1
1 701 . 10 1 1 A 65 65 CYS CA C 1828 63.547 62.986 0.561 1
1 702 . 10 1 1 A 65 65 CYS CB C 1828 26.495 26.471 0.024 1
1 703 . 10 1 1 A 65 65 CYS N N 1828 118.996 121.584 -2.588 1
1 704 . 10 1 1 A 66 66 TYR H H 1829 7.837 8.653 -0.816 1
1 705 . 10 1 1 A 66 66 TYR HA H 1829 4.199 4.245 -0.046 1
1 712 . 10 1 1 A 66 66 TYR CA C 1829 61.220 61.842 -0.622 1
1 713 . 10 1 1 A 66 66 TYR CB C 1829 38.261 38.394 -0.133 1
1 716 . 10 1 1 A 66 66 TYR N N 1829 120.650 122.410 -1.760 1
1 717 . 10 1 1 A 67 67 HIS H H 1830 8.323 8.437 -0.114 1
1 718 . 10 1 1 A 67 67 HIS HA H 1830 4.341 4.381 -0.040 1
1 723 . 10 1 1 A 67 67 HIS CA C 1830 58.668 60.379 -1.711 1
1 724 . 10 1 1 A 67 67 HIS CB C 1830 27.907 29.952 -2.045 1
1 727 . 10 1 1 A 67 67 HIS N N 1830 117.149 119.565 -2.416 1
1 728 . 10 1 1 A 68 68 ALA H H 1831 8.693 8.585 0.108 1
1 729 . 10 1 1 A 68 68 ALA HA H 1831 4.250 4.020 0.230 1
1 733 . 10 1 1 A 68 68 ALA CA C 1831 55.205 55.411 -0.206 1
1 734 . 10 1 1 A 68 68 ALA CB C 1831 20.695 18.477 2.218 1
1 735 . 10 1 1 A 68 68 ALA N N 1831 121.519 120.895 0.624 1
1 736 . 10 1 1 A 69 69 LYS H H 1832 7.126 8.211 -1.085 1
1 737 . 10 1 1 A 69 69 LYS HA H 1832 3.737 4.062 -0.325 1
1 746 . 10 1 1 A 69 69 LYS CA C 1832 57.962 59.499 -1.537 1
1 747 . 10 1 1 A 69 69 LYS CB C 1832 32.613 31.630 0.983 1
1 751 . 10 1 1 A 69 69 LYS N N 1832 114.376 119.185 -4.809 1
1 752 . 10 1 1 A 70 70 HIS H H 1833 6.884 7.334 -0.450 1
1 753 . 10 1 1 A 70 70 HIS HA H 1833 4.711 4.362 0.349 1
1 758 . 10 1 1 A 70 70 HIS CA C 1833 54.970 57.815 -2.845 1
1 759 . 10 1 1 A 70 70 HIS CB C 1833 31.201 30.877 0.324 1
1 762 . 10 1 1 A 70 70 HIS N N 1833 113.369 114.539 -1.170 1
1 763 . 10 1 1 A 71 71 CYS H H 1834 6.969 7.485 -0.516 1
1 764 . 10 1 1 A 71 71 CYS HA H 1834 4.210 4.271 -0.061 1
1 767 . 10 1 1 A 71 71 CYS CA C 1834 60.800 59.441 1.359 1
1 768 . 10 1 1 A 71 71 CYS CB C 1834 30.250 28.580 1.670 1
1 769 . 10 1 1 A 71 71 CYS N N 1834 123.813 118.140 5.673 1
1 770 . 10 1 1 A 72 72 GLN H H 1835 9.101 8.522 0.579 1
1 771 . 10 1 1 A 72 72 GLN HA H 1835 4.646 4.719 -0.073 1
1 778 . 10 1 1 A 72 72 GLN CA C 1835 54.735 55.400 -0.665 1
1 779 . 10 1 1 A 72 72 GLN CB C 1835 29.319 30.665 -1.346 1
1 781 . 10 1 1 A 72 72 GLN N N 1835 128.430 122.464 5.966 1
1 783 . 10 1 1 A 73 73 GLU H H 1836 8.331 7.298 1.033 1
1 784 . 10 1 1 A 73 73 GLU HA H 1836 4.365 4.351 0.014 1
1 788 . 10 1 1 A 73 73 GLU CA C 1836 55.374 56.159 -0.785 1
1 789 . 10 1 1 A 73 73 GLU CB C 1836 30.731 30.502 0.229 1
1 791 . 10 1 1 A 73 73 GLU N N 1836 123.251 121.625 1.626 1
1 792 . 10 1 1 A 74 74 ASN HA H 1837 4.512 4.521 -0.009 1
1 797 . 10 1 1 A 74 74 ASN CA C 1837 54.970 54.791 0.179 1
1 798 . 10 1 1 A 74 74 ASN CB C 1837 38.732 37.699 1.033 1
1 800 . 10 1 1 A 75 75 LYS H H 1838 8.779 7.906 0.873 1
1 801 . 10 1 1 A 75 75 LYS HA H 1838 4.424 4.612 -0.188 1
1 810 . 10 1 1 A 75 75 LYS CA C 1838 54.735 55.238 -0.503 1
1 811 . 10 1 1 A 75 75 LYS CB C 1838 30.966 33.203 -2.237 1
1 815 . 10 1 1 A 75 75 LYS N N 1838 121.350 116.920 4.430 1
1 816 . 10 1 1 A 76 76 CYS H H 1839 7.590 7.081 0.509 1
1 817 . 10 1 1 A 76 76 CYS HA H 1839 4.361 4.388 -0.027 1
1 820 . 10 1 1 A 76 76 CYS CA C 1839 57.256 57.714 -0.458 1
1 821 . 10 1 1 A 76 76 CYS CB C 1839 30.731 28.320 2.411 1
1 822 . 10 1 1 A 76 76 CYS N N 1839 124.209 121.614 2.595 1
1 823 . 10 1 1 A 77 77 PRO HA H 1840 4.651 4.395 0.256 1
1 830 . 10 1 1 A 77 77 PRO CA C 1840 62.669 64.238 -1.569 1
1 831 . 10 1 1 A 77 77 PRO CB C 1840 32.849 31.952 0.897 1
1 834 . 10 1 1 A 78 78 VAL H H 1841 8.962 7.713 1.249 1
1 835 . 10 1 1 A 78 78 VAL HA H 1841 4.199 4.162 0.037 1
1 843 . 10 1 1 A 78 78 VAL CA C 1841 61.257 60.954 0.303 1
1 844 . 10 1 1 A 78 78 VAL CB C 1841 31.672 32.124 -0.452 1
1 847 . 10 1 1 A 78 78 VAL N N 1841 128.606 119.522 9.084 1
1 848 . 10 1 1 A 79 79 PRO HA H 1842 3.936 4.212 -0.276 1
1 855 . 10 1 1 A 79 79 PRO CA C 1842 63.846 65.855 -2.009 1
1 856 . 10 1 1 A 79 79 PRO CB C 1842 30.731 31.380 -0.649 1
1 859 . 10 1 1 A 80 80 PHE HA H 1843 4.255 4.275 -0.020 1
1 866 . 10 1 1 A 80 80 PHE CA C 1843 59.374 60.125 -0.751 1
1 867 . 10 1 1 A 80 80 PHE CB C 1843 37.791 38.193 -0.402 1
1 870 . 10 1 1 A 81 81 CYS H H 1844 7.660 8.366 -0.706 1
1 871 . 10 1 1 A 81 81 CYS HA H 1844 3.997 4.192 -0.195 1
1 874 . 10 1 1 A 81 81 CYS CA C 1844 64.552 62.498 2.054 1
1 875 . 10 1 1 A 81 81 CYS CB C 1844 30.495 27.300 3.195 1
1 876 . 10 1 1 A 81 81 CYS N N 1844 124.104 118.786 5.318 1
1 877 . 10 1 1 A 82 82 LEU H H 1845 8.170 8.265 -0.095 1
1 878 . 10 1 1 A 82 82 LEU HA H 1845 3.988 3.971 0.017 1
1 888 . 10 1 1 A 82 82 LEU CA C 1845 57.962 58.089 -0.127 1
1 889 . 10 1 1 A 82 82 LEU CB C 1845 41.321 41.341 -0.020 1
1 893 . 10 1 1 A 82 82 LEU N N 1845 115.950 120.904 -4.954 1
1 894 . 10 1 1 A 83 83 ASN H H 1846 7.826 8.348 -0.522 1
1 895 . 10 1 1 A 83 83 ASN HA H 1846 4.447 4.444 0.003 1
1 900 . 10 1 1 A 83 83 ASN CA C 1846 56.800 56.937 -0.137 1
1 901 . 10 1 1 A 83 83 ASN CB C 1846 38.967 39.093 -0.126 1
1 902 . 10 1 1 A 83 83 ASN N N 1846 116.117 118.154 -2.037 1
1 904 . 10 1 1 A 84 84 ILE H H 1847 8.607 8.312 0.295 1
1 905 . 10 1 1 A 84 84 ILE HA H 1847 3.718 3.643 0.075 1
1 915 . 10 1 1 A 84 84 ILE CA C 1847 64.787 65.389 -0.602 1
1 916 . 10 1 1 A 84 84 ILE CB C 1847 38.497 37.810 0.687 1
1 920 . 10 1 1 A 84 84 ILE N N 1847 121.553 119.516 2.037 1
1 921 . 10 1 1 A 85 85 LYS H H 1848 8.855 8.166 0.689 1
1 922 . 10 1 1 A 85 85 LYS HA H 1848 3.859 3.935 -0.076 1
1 931 . 10 1 1 A 85 85 LYS CA C 1848 60.551 59.413 1.138 1
1 932 . 10 1 1 A 85 85 LYS CB C 1848 32.613 32.426 0.187 1
1 936 . 10 1 1 A 85 85 LYS N N 1848 119.992 118.892 1.100 1
1 937 . 10 1 1 A 86 86 HIS H H 1849 8.100 8.031 0.069 1
1 938 . 10 1 1 A 86 86 HIS HA H 1849 4.411 4.286 0.125 1
1 943 . 10 1 1 A 86 86 HIS CA C 1849 58.433 60.132 -1.699 1
1 944 . 10 1 1 A 86 86 HIS CB C 1849 30.495 29.595 0.900 1
1 947 . 10 1 1 A 86 86 HIS N N 1849 117.237 119.781 -2.544 1
1 948 . 10 1 1 A 87 87 LYS H H 1850 7.685 8.166 -0.481 1
1 949 . 10 1 1 A 87 87 LYS HA H 1850 4.128 3.883 0.245 1
1 958 . 10 1 1 A 87 87 LYS CA C 1850 57.727 59.243 -1.516 1
1 959 . 10 1 1 A 87 87 LYS CB C 1850 32.378 32.515 -0.137 1
1 963 . 10 1 1 A 87 87 LYS N N 1850 119.118 117.782 1.336 1
1 964 . 10 1 1 A 88 88 LEU H H 1851 8.230 8.646 -0.416 1
1 965 . 10 1 1 A 88 88 LEU HA H 1851 4.174 3.932 0.242 1
1 975 . 10 1 1 A 88 88 LEU CA C 1851 56.800 57.985 -1.185 1
1 976 . 10 1 1 A 88 88 LEU CB C 1851 42.262 41.448 0.814 1
1 980 . 10 1 1 A 88 88 LEU N N 1851 119.305 120.104 -0.799 1
1 981 . 10 1 1 A 89 89 ARG H H 1852 7.765 8.272 -0.507 1
1 982 . 10 1 1 A 89 89 ARG HA H 1852 4.245 4.030 0.215 1
1 989 . 10 1 1 A 89 89 ARG CA C 1852 56.550 59.097 -2.547 1
1 990 . 10 1 1 A 89 89 ARG CB C 1852 30.260 29.575 0.685 1
1 993 . 10 1 1 A 89 89 ARG N N 1852 118.302 119.220 -0.918 1
1 994 . 10 1 1 A 90 90 GLN H H 1853 7.851 7.953 -0.102 1
1 995 . 10 1 1 A 90 90 GLN HA H 1853 4.262 4.120 0.142 1
1 1002 . 10 1 1 A 90 90 GLN CA C 1853 55.609 57.764 -2.155 1
1 1003 . 10 1 1 A 90 90 GLN CB C 1853 29.554 28.697 0.857 1
1 1005 . 10 1 1 A 90 90 GLN N N 1853 119.450 117.989 1.461 1
1 1007 . 10 1 1 A 91 91 GLN H H 1854 8.710 7.887 0.823 1
1 1008 . 10 1 1 A 91 91 GLN HA H 1854 4.317 4.073 0.244 1
1 1015 . 10 1 1 A 91 91 GLN CA C 1854 55.609 58.247 -2.638 1
1 1016 . 10 1 1 A 91 91 GLN CB C 1854 29.554 28.652 0.902 1
1 1018 . 10 1 1 A 91 91 GLN N N 1854 120.675 117.839 2.836 1
1 1038 . 10 2 2 B 2 2 HIS HA H 51 4.636 4.450 0.186 1
1 1043 . 10 2 2 B 2 2 HIS CA C 51 55.844 56.871 -1.027 1
1 1044 . 10 2 2 B 2 2 HIS CB C 51 30.495 28.537 1.958 1
1 1047 . 10 2 2 B 3 3 MET H H 52 8.230 7.899 0.331 1
1 1048 . 10 2 2 B 3 3 MET HA H 52 4.430 4.364 0.066 1
1 1053 . 10 2 2 B 3 3 MET CA C 52 54.903 55.707 -0.804 1
1 1054 . 10 2 2 B 3 3 MET CB C 52 33.840 31.591 2.249 1
1 1056 . 10 2 2 B 3 3 MET N N 52 121.881 118.020 3.861 1
1 1057 . 10 2 2 B 4 4 ALA H H 53 8.269 7.445 0.824 1
1 1058 . 10 2 2 B 4 4 ALA HA H 53 4.586 4.773 -0.187 1
1 1062 . 10 2 2 B 4 4 ALA CA C 53 51.255 49.331 1.924 1
1 1063 . 10 2 2 B 4 4 ALA CB C 53 18.796 21.597 -2.801 1
1 1064 . 10 2 2 B 4 4 ALA N N 53 126.758 119.915 6.843 1
1 1065 . 10 2 2 B 5 5 PRO HA H 54 4.705 4.427 0.278 1
1 1072 . 10 2 2 B 5 5 PRO CA C 54 61.257 65.306 -4.049 1
1 1073 . 10 2 2 B 5 5 PRO CB C 54 30.966 31.813 -0.847 1
1 1076 . 10 2 2 B 6 6 GLU H H 55 8.468 7.743 0.725 1
1 1077 . 10 2 2 B 6 6 GLU HA H 55 4.150 4.716 -0.566 1
1 1082 . 10 2 2 B 6 6 GLU CA C 55 56.550 55.631 0.919 1
1 1083 . 10 2 2 B 6 6 GLU CB C 55 30.495 32.652 -2.157 1
1 1085 . 10 2 2 B 6 6 GLU N N 55 121.693 113.995 7.698 1
1 1086 . 10 2 2 B 7 7 ASP H H 56 8.574 8.635 -0.061 1
1 1087 . 10 2 2 B 7 7 ASP HA H 56 5.200 5.050 0.150 1
1 1090 . 10 2 2 B 7 7 ASP CA C 56 51.255 50.679 0.576 1
1 1091 . 10 2 2 B 7 7 ASP CB C 56 42.262 44.224 -1.962 1
1 1092 . 10 2 2 B 7 7 ASP N N 56 120.873 120.013 0.860 1
1 1093 . 10 2 2 B 8 8 PRO HA H 57 4.465 4.390 0.075 1
1 1100 . 10 2 2 B 8 8 PRO CA C 57 63.610 64.269 -0.659 1
1 1101 . 10 2 2 B 8 8 PRO CB C 57 32.378 31.892 0.486 1
1 1104 . 10 2 2 B 9 9 ASN H H 58 8.301 8.449 -0.148 1
1 1105 . 10 2 2 B 9 9 ASN HA H 58 4.809 4.785 0.024 1
1 1110 . 10 2 2 B 9 9 ASN CA C 58 53.558 53.289 0.269 1
1 1111 . 10 2 2 B 9 9 ASN CB C 58 38.497 39.225 -0.728 1
1 1112 . 10 2 2 B 9 9 ASN N N 58 117.190 116.217 0.973 1
1 1114 . 10 2 2 B 10 10 GLU H H 59 7.366 8.284 -0.918 1
1 1115 . 10 2 2 B 10 10 GLU HA H 59 3.641 4.000 -0.359 1
1 1120 . 10 2 2 B 10 10 GLU CA C 59 60.800 59.290 1.510 1
1 1121 . 10 2 2 B 10 10 GLU CB C 59 29.554 28.879 0.675 1
1 1123 . 10 2 2 B 10 10 GLU N N 59 122.354 119.010 3.344 1
1 1124 . 10 2 2 B 11 11 GLU H H 60 8.618 8.534 0.084 1
1 1125 . 10 2 2 B 11 11 GLU HA H 60 3.933 3.982 -0.049 1
1 1130 . 10 2 2 B 11 11 GLU CA C 60 59.139 59.414 -0.275 1
1 1131 . 10 2 2 B 11 11 GLU CB C 60 29.830 29.252 0.578 1
1 1133 . 10 2 2 B 11 11 GLU N N 60 120.391 120.116 0.275 1
1 1134 . 10 2 2 B 12 12 ALA H H 61 8.280 7.660 0.620 1
1 1135 . 10 2 2 B 12 12 ALA HA H 61 4.180 4.043 0.137 1
1 1139 . 10 2 2 B 12 12 ALA CA C 61 55.205 54.471 0.734 1
1 1140 . 10 2 2 B 12 12 ALA CB C 61 20.695 18.311 2.384 1
1 1141 . 10 2 2 B 12 12 ALA N N 61 122.378 121.635 0.743 1
1 1142 . 10 2 2 B 13 13 VAL H H 62 7.773 7.135 0.638 1
1 1143 . 10 2 2 B 13 13 VAL HA H 62 3.974 3.355 0.619 1
1 1151 . 10 2 2 B 13 13 VAL CA C 62 66.199 66.110 0.089 1
1 1152 . 10 2 2 B 13 13 VAL CB C 62 31.907 31.468 0.439 1
1 1155 . 10 2 2 B 13 13 VAL N N 62 116.653 118.520 -1.867 1
1 1156 . 10 2 2 B 14 14 SER H H 63 8.288 8.067 0.221 1
1 1157 . 10 2 2 B 14 14 SER HA H 63 4.620 3.922 0.698 1
1 1160 . 10 2 2 B 14 14 SER CA C 63 60.786 62.126 -1.340 1
1 1161 . 10 2 2 B 14 14 SER CB C 63 62.434 63.033 -0.599 1
1 1162 . 10 2 2 B 14 14 SER N N 63 115.328 115.523 -0.195 1
1 1163 . 10 2 2 B 15 15 GLN H H 64 7.775 8.290 -0.515 1
1 1164 . 10 2 2 B 15 15 GLN HA H 64 4.190 4.041 0.149 1
1 1171 . 10 2 2 B 15 15 GLN CA C 64 57.492 58.320 -0.828 1
1 1172 . 10 2 2 B 15 15 GLN CB C 64 28.613 27.378 1.235 1
1 1174 . 10 2 2 B 15 15 GLN N N 64 119.350 118.447 0.903 1
1 1176 . 10 2 2 B 16 16 ILE H H 65 7.217 7.309 -0.092 1
1 1177 . 10 2 2 B 16 16 ILE HA H 65 3.788 3.954 -0.166 1
1 1186 . 10 2 2 B 16 16 ILE CA C 65 61.492 63.366 -1.874 1
1 1187 . 10 2 2 B 16 16 ILE CB C 65 37.320 39.302 -1.982 1
1 1191 . 10 2 2 B 16 16 ILE N N 65 117.427 119.222 -1.795 1
1 1192 . 10 2 2 B 17 17 PHE H H 66 8.370 7.444 0.926 1
1 1193 . 10 2 2 B 17 17 PHE HA H 66 4.407 4.939 -0.532 1
1 1200 . 10 2 2 B 17 17 PHE CA C 66 55.374 54.780 0.594 1
1 1201 . 10 2 2 B 17 17 PHE CB C 66 42.270 39.681 2.589 1
1 1205 . 10 2 2 B 17 17 PHE N N 66 117.389 115.292 2.097 1
1 1206 . 10 2 2 B 18 18 PRO HA H 67 4.784 4.718 0.066 1
1 1213 . 10 2 2 B 18 18 PRO CA C 67 62.669 62.332 0.337 1
1 1214 . 10 2 2 B 18 18 PRO CB C 67 32.378 33.310 -0.932 1
1 1217 . 10 2 2 B 19 19 ASP H H 68 9.127 9.074 0.053 1
1 1218 . 10 2 2 B 19 19 ASP HA H 68 4.261 4.463 -0.202 1
1 1221 . 10 2 2 B 19 19 ASP CA C 68 57.927 56.865 1.062 1
1 1222 . 10 2 2 B 19 19 ASP CB C 68 40.451 40.434 0.017 1
1 1223 . 10 2 2 B 19 19 ASP N N 68 123.618 123.167 0.451 1
1 1224 . 10 2 2 B 20 20 SER H H 69 8.624 8.017 0.607 1
1 1225 . 10 2 2 B 20 20 SER HA H 69 4.816 4.365 0.451 1
1 1226 . 10 2 2 B 20 20 SER N N 69 112.914 112.998 -0.084 1
1 1227 . 10 2 2 B 21 21 VAL H H 70 7.380 7.691 -0.311 1
1 1228 . 10 2 2 B 21 21 VAL HA H 70 3.958 4.671 -0.713 1
1 1236 . 10 2 2 B 21 21 VAL CA C 70 64.316 58.886 5.430 1
1 1237 . 10 2 2 B 21 21 VAL CB C 70 32.378 35.886 -3.508 1
1 1240 . 10 2 2 B 21 21 VAL N N 70 123.280 115.500 7.780 1
1 1241 . 10 2 2 B 22 22 MET H H 71 7.638 8.650 -1.012 1
1 1242 . 10 2 2 B 22 22 MET HA H 71 4.266 4.547 -0.281 1
1 1248 . 10 2 2 B 22 22 MET CA C 71 55.844 54.017 1.827 1
1 1249 . 10 2 2 B 22 22 MET CB C 71 31.907 31.133 0.774 1
1 1251 . 10 2 2 B 22 22 MET N N 71 117.825 123.327 -5.502 1
1 1252 . 10 2 2 B 23 23 LEU H H 72 8.102 7.789 0.313 1
1 1253 . 10 2 2 B 23 23 LEU HA H 72 4.132 4.060 0.072 1
1 1263 . 10 2 2 B 23 23 LEU CA C 72 56.786 57.864 -1.078 1
1 1264 . 10 2 2 B 23 23 LEU CB C 72 42.270 41.910 0.360 1
1 1268 . 10 2 2 B 23 23 LEU N N 72 119.633 126.535 -6.902 1
1 1269 . 10 2 2 B 24 24 ALA H H 73 7.464 8.261 -0.797 1
1 1270 . 10 2 2 B 24 24 ALA HA H 73 4.197 4.228 -0.031 1
1 1274 . 10 2 2 B 24 24 ALA CA C 73 84.840 54.390 30.450 1
1 1275 . 10 2 2 B 24 24 ALA CB C 73 19.266 18.655 0.611 1
1 1276 . 10 2 2 B 24 24 ALA N N 73 120.682 121.011 -0.329 1
1 1277 . 10 2 2 B 25 25 VAL H H 74 7.668 7.957 -0.289 1
1 1278 . 10 2 2 B 25 25 VAL HA H 74 4.258 3.874 0.384 1
1 1286 . 10 2 2 B 25 25 VAL CA C 74 62.434 64.124 -1.690 1
1 1287 . 10 2 2 B 25 25 VAL CB C 74 31.672 31.583 0.089 1
1 1290 . 10 2 2 B 25 25 VAL N N 74 112.530 117.063 -4.533 1
1 1291 . 10 2 2 B 26 26 GLN H H 75 7.806 8.037 -0.231 1
1 1292 . 10 2 2 B 26 26 GLN HA H 75 4.308 4.599 -0.291 1
1 1299 . 10 2 2 B 26 26 GLN CA C 75 56.786 55.902 0.884 1
1 1300 . 10 2 2 B 26 26 GLN CB C 75 29.554 31.038 -1.484 1
1 1302 . 10 2 2 B 26 26 GLN N N 75 121.794 115.344 6.450 1
1 1304 . 10 2 2 B 27 27 GLU H H 76 8.340 7.863 0.477 1
1 1305 . 10 2 2 B 27 27 GLU HA H 76 4.349 4.380 -0.031 1
1 1310 . 10 2 2 B 27 27 GLU CA C 76 56.315 56.377 -0.062 1
1 1311 . 10 2 2 B 27 27 GLU CB C 76 30.495 30.328 0.167 1
1 1313 . 10 2 2 B 27 27 GLU N N 76 120.410 120.816 -0.406 1
1 1314 . 10 2 2 B 28 28 GLY H H 77 8.295 8.900 -0.605 1
1 1315 . 10 2 2 B 28 28 GLY HA2 H 77 3.938 3.978 -0.040 1
1 1316 . 10 2 2 B 28 28 GLY HA3 H 77 4.190 3.980 0.210 1
1 1317 . 10 2 2 B 28 28 GLY CA C 77 45.792 46.316 -0.524 1
1 1318 . 10 2 2 B 28 28 GLY N N 77 109.255 113.592 -4.337 1
1 1319 . 10 2 2 B 29 29 ILE H H 78 7.889 8.421 -0.532 1
1 1320 . 10 2 2 B 29 29 ILE HA H 78 4.166 4.157 0.009 1
1 1330 . 10 2 2 B 29 29 ILE CA C 78 60.786 61.515 -0.729 1
1 1331 . 10 2 2 B 29 29 ILE CB C 78 39.203 37.031 2.172 1
1 1335 . 10 2 2 B 29 29 ILE N N 78 119.126 126.789 -7.663 1
1 1336 . 10 2 2 B 30 30 ASP H H 79 8.442 8.827 -0.385 1
1 1337 . 10 2 2 B 30 30 ASP HA H 79 4.577 4.672 -0.095 1
1 1340 . 10 2 2 B 30 30 ASP CA C 79 55.255 52.680 2.575 1
1 1341 . 10 2 2 B 30 30 ASP CB C 79 41.850 39.159 2.691 1
1 1342 . 10 2 2 B 30 30 ASP N N 79 123.665 128.538 -4.873 1
1 1343 . 10 2 2 B 31 31 LEU H H 80 8.141 7.806 0.335 1
1 1344 . 10 2 2 B 31 31 LEU HA H 80 4.292 4.051 0.241 1
1 1354 . 10 2 2 B 31 31 LEU CA C 80 55.205 57.460 -2.255 1
1 1355 . 10 2 2 B 31 31 LEU CB C 80 42.262 42.006 0.256 1
1 1359 . 10 2 2 B 31 31 LEU N N 80 122.359 126.369 -4.010 1
1 1360 . 10 2 2 B 32 32 LEU H H 81 8.840 8.112 0.728 1
1 1361 . 10 2 2 B 32 32 LEU HA H 81 4.256 4.282 -0.026 1
1 1371 . 10 2 2 B 32 32 LEU CA C 81 54.903 57.499 -2.596 1
1 1372 . 10 2 2 B 32 32 LEU CB C 81 42.497 41.594 0.903 1
1 1376 . 10 2 2 B 32 32 LEU N N 81 120.762 118.523 2.239 1
1 1377 . 10 2 2 B 33 33 THR H H 82 7.728 7.921 -0.193 1
1 1378 . 10 2 2 B 33 33 THR HA H 82 4.226 4.056 0.170 1
1 1383 . 10 2 2 B 33 33 THR CA C 82 61.220 64.658 -3.438 1
1 1384 . 10 2 2 B 33 33 THR CB C 82 69.494 68.918 0.576 1
1 1386 . 10 2 2 B 33 33 THR N N 82 113.606 113.540 0.066 1
1 1387 . 10 2 2 B 34 34 PHE H H 83 8.181 7.882 0.299 1
1 1388 . 10 2 2 B 34 34 PHE HA H 83 4.825 4.638 0.187 1
1 1395 . 10 2 2 B 34 34 PHE CA C 83 55.138 55.998 -0.860 1
1 1396 . 10 2 2 B 34 34 PHE CB C 83 39.203 38.916 0.287 1
1 1399 . 10 2 2 B 34 34 PHE N N 83 123.600 118.112 5.488 1
1 1400 . 10 2 2 B 35 35 PRO HA H 84 4.765 4.456 0.309 1
1 1407 . 10 2 2 B 35 35 PRO CA C 84 62.900 61.954 0.946 1
1 1408 . 10 2 2 B 35 35 PRO CB C 84 32.538 31.698 0.840 1
1 1411 . 10 2 2 B 36 36 PRO HA H 85 4.422 3.995 0.427 1
1 1418 . 10 2 2 B 36 36 PRO CA C 85 62.434 64.204 -1.770 1
1 1419 . 10 2 2 B 36 36 PRO CB C 85 32.143 31.929 0.214 1
1 1422 . 10 2 2 B 37 37 ALA H H 86 8.370 7.026 1.344 1
1 1423 . 10 2 2 B 37 37 ALA HA H 86 4.429 4.723 -0.294 1
1 1427 . 10 2 2 B 37 37 ALA CA C 86 50.263 49.976 0.287 1
1 1428 . 10 2 2 B 37 37 ALA CB C 86 19.972 21.625 -1.653 1
1 1429 . 10 2 2 B 37 37 ALA N N 86 125.277 116.318 8.959 1
1 1430 . 10 2 2 B 38 38 PRO HA H 87 4.388 4.423 -0.035 1
1 1437 . 10 2 2 B 38 38 PRO CA C 87 63.140 63.928 -0.788 1
1 1438 . 10 2 2 B 38 38 PRO CB C 87 32.143 31.808 0.335 1
1 1441 . 10 2 2 B 39 39 GLY H H 88 8.503 8.498 0.005 1
1 1442 . 10 2 2 B 39 39 GLY HA2 H 88 3.895 3.939 -0.044 1
1 1443 . 10 2 2 B 39 39 GLY HA3 H 88 3.981 3.940 0.041 1
1 1444 . 10 2 2 B 39 39 GLY CA C 88 74.671 45.074 29.597 1
1 1445 . 10 2 2 B 39 39 GLY N N 88 109.831 106.891 2.940 1
1 1446 . 10 2 2 B 40 40 SER H H 89 8.800 7.897 0.903 1
1 1447 . 10 2 2 B 40 40 SER HA H 89 4.748 4.593 0.155 1
1 1450 . 10 2 2 B 40 40 SER CA C 89 56.800 56.822 -0.022 1
1 1451 . 10 2 2 B 40 40 SER CB C 89 63.140 63.250 -0.110 1
1 1452 . 10 2 2 B 40 40 SER N N 89 116.937 115.218 1.719 1
1 1453 . 10 2 2 B 41 41 PRO HA H 90 4.441 4.377 0.064 1
1 1460 . 10 2 2 B 41 41 PRO CA C 90 63.140 64.833 -1.693 1
1 1461 . 10 2 2 B 41 41 PRO CB C 90 32.143 32.021 0.122 1
1 6 . 11 1 1 A 2 2 PRO HA H 1765 4.433 4.284 0.149 1
1 13 . 11 1 1 A 2 2 PRO CA C 1765 64.810 65.562 -0.752 1
1 14 . 11 1 1 A 2 2 PRO CB C 1765 31.907 31.850 0.057 1
1 17 . 11 1 1 A 3 3 GLN H H 1766 8.442 8.161 0.281 1
1 18 . 11 1 1 A 3 3 GLN HA H 1766 3.889 4.046 -0.157 1
1 25 . 11 1 1 A 3 3 GLN CA C 1766 59.103 59.173 -0.070 1
1 26 . 11 1 1 A 3 3 GLN CB C 1766 28.595 28.184 0.411 1
1 28 . 11 1 1 A 3 3 GLN N N 1766 115.685 117.401 -1.716 1
1 30 . 11 1 1 A 4 4 GLU H H 1767 8.161 8.255 -0.094 1
1 31 . 11 1 1 A 4 4 GLU HA H 1767 4.197 4.047 0.150 1
1 36 . 11 1 1 A 4 4 GLU CA C 1767 57.727 59.617 -1.890 1
1 37 . 11 1 1 A 4 4 GLU CB C 1767 30.250 29.214 1.036 1
1 39 . 11 1 1 A 4 4 GLU N N 1767 121.941 121.162 0.779 1
1 40 . 11 1 1 A 5 5 SER H H 1768 8.291 8.277 0.014 1
1 41 . 11 1 1 A 5 5 SER HA H 1768 4.280 4.123 0.157 1
1 44 . 11 1 1 A 5 5 SER CA C 1768 60.800 61.741 -0.941 1
1 45 . 11 1 1 A 5 5 SER CB C 1768 63.435 62.871 0.564 1
1 46 . 11 1 1 A 5 5 SER N N 1768 116.360 117.496 -1.136 1
1 47 . 11 1 1 A 6 6 ARG H H 1769 7.935 7.779 0.156 1
1 48 . 11 1 1 A 6 6 ARG HA H 1769 4.120 4.080 0.040 1
1 52 . 11 1 1 A 6 6 ARG N N 1769 122.139 121.990 0.149 1
1 53 . 11 1 1 A 7 7 ARG H H 1770 7.952 7.912 0.040 1
1 54 . 11 1 1 A 7 7 ARG HA H 1770 3.939 4.058 -0.119 1
1 61 . 11 1 1 A 7 7 ARG N N 1770 119.527 120.200 -0.673 1
1 62 . 11 1 1 A 8 8 LEU H H 1771 8.120 8.292 -0.172 1
1 63 . 11 1 1 A 8 8 LEU HA H 1771 4.188 4.170 0.018 1
1 73 . 11 1 1 A 8 8 LEU CA C 1771 56.786 57.598 -0.812 1
1 74 . 11 1 1 A 8 8 LEU CB C 1771 41.556 41.318 0.238 1
1 78 . 11 1 1 A 8 8 LEU N N 1771 120.237 119.870 0.367 1
1 79 . 11 1 1 A 9 9 SER H H 1772 8.860 8.094 0.766 1
1 80 . 11 1 1 A 9 9 SER HA H 1772 4.224 4.068 0.156 1
1 83 . 11 1 1 A 9 9 SER CA C 1772 61.728 62.416 -0.688 1
1 84 . 11 1 1 A 9 9 SER CB C 1772 62.198 63.162 -0.964 1
1 85 . 11 1 1 A 9 9 SER N N 1772 116.214 114.011 2.203 1
1 86 . 11 1 1 A 10 10 ILE H H 1773 8.133 8.246 -0.113 1
1 87 . 11 1 1 A 10 10 ILE HA H 1773 3.510 3.705 -0.195 1
1 97 . 11 1 1 A 10 10 ILE CA C 1773 64.787 64.213 0.574 1
1 98 . 11 1 1 A 10 10 ILE CB C 1773 38.732 37.005 1.727 1
1 102 . 11 1 1 A 10 10 ILE N N 1773 122.927 121.202 1.725 1
1 103 . 11 1 1 A 11 11 GLN H H 1774 8.250 7.932 0.318 1
1 104 . 11 1 1 A 11 11 GLN HA H 1774 3.980 4.081 -0.101 1
1 111 . 11 1 1 A 11 11 GLN CA C 1774 58.900 58.551 0.349 1
1 113 . 11 1 1 A 11 11 GLN N N 1774 118.893 119.709 -0.816 1
1 115 . 11 1 1 A 12 12 ARG H H 1775 8.272 7.625 0.647 1
1 116 . 11 1 1 A 12 12 ARG HA H 1775 4.168 4.082 0.086 1
1 123 . 11 1 1 A 12 12 ARG CA C 1775 57.730 59.513 -1.783 1
1 126 . 11 1 1 A 12 12 ARG N N 1775 119.560 119.170 0.390 1
1 127 . 11 1 1 A 13 13 CYS HA H 1776 4.176 4.111 0.065 1
1 130 . 11 1 1 A 13 13 CYS CA C 1776 63.610 63.794 -0.184 1
1 131 . 11 1 1 A 13 13 CYS CB C 1776 26.965 27.037 -0.072 1
1 132 . 11 1 1 A 14 14 ILE H H 1777 8.597 8.276 0.321 1
1 133 . 11 1 1 A 14 14 ILE HA H 1777 3.735 3.697 0.038 1
1 143 . 11 1 1 A 14 14 ILE CA C 1777 65.220 65.011 0.209 1
1 144 . 11 1 1 A 14 14 ILE CB C 1777 37.320 37.356 -0.036 1
1 148 . 11 1 1 A 14 14 ILE N N 1777 120.174 120.230 -0.056 1
1 149 . 11 1 1 A 15 15 GLN H H 1778 8.105 7.949 0.156 1
1 150 . 11 1 1 A 15 15 GLN HA H 1778 4.700 4.038 0.662 1
1 157 . 11 1 1 A 15 15 GLN CA C 1778 59.139 59.049 0.090 1
1 158 . 11 1 1 A 15 15 GLN CB C 1778 28.377 28.729 -0.352 1
1 160 . 11 1 1 A 15 15 GLN N N 1778 119.677 120.334 -0.657 1
1 162 . 11 1 1 A 16 16 SER H H 1779 8.115 7.660 0.455 1
1 163 . 11 1 1 A 16 16 SER HA H 1779 4.407 4.129 0.278 1
1 166 . 11 1 1 A 16 16 SER CA C 1779 61.963 62.466 -0.503 1
1 167 . 11 1 1 A 16 16 SER CB C 1779 63.425 62.718 0.707 1
1 168 . 11 1 1 A 16 16 SER N N 1779 116.542 116.331 0.211 1
1 169 . 11 1 1 A 17 17 LEU H H 1780 8.496 8.017 0.479 1
1 170 . 11 1 1 A 17 17 LEU HA H 1780 3.970 4.038 -0.068 1
1 180 . 11 1 1 A 17 17 LEU CA C 1780 58.286 56.635 1.651 1
1 181 . 11 1 1 A 17 17 LEU CB C 1780 42.262 41.946 0.316 1
1 185 . 11 1 1 A 17 17 LEU N N 1780 124.870 123.331 1.539 1
1 186 . 11 1 1 A 18 18 VAL H H 1781 8.540 8.062 0.478 1
1 187 . 11 1 1 A 18 18 VAL HA H 1781 3.246 3.520 -0.274 1
1 195 . 11 1 1 A 18 18 VAL CA C 1781 66.905 66.770 0.135 1
1 196 . 11 1 1 A 18 18 VAL CB C 1781 31.672 31.608 0.064 1
1 199 . 11 1 1 A 18 18 VAL N N 1781 119.345 118.937 0.408 1
1 200 . 11 1 1 A 19 19 HIS H H 1782 7.944 8.003 -0.059 1
1 201 . 11 1 1 A 19 19 HIS HA H 1782 4.191 4.098 0.093 1
1 206 . 11 1 1 A 19 19 HIS CA C 1782 59.845 60.224 -0.379 1
1 207 . 11 1 1 A 19 19 HIS CB C 1782 26.965 29.848 -2.883 1
1 210 . 11 1 1 A 19 19 HIS N N 1782 116.521 119.053 -2.532 1
1 211 . 11 1 1 A 20 20 ALA H H 1783 9.830 8.447 1.383 1
1 212 . 11 1 1 A 20 20 ALA HA H 1783 4.367 3.983 0.384 1
1 216 . 11 1 1 A 20 20 ALA CA C 1783 55.191 55.206 -0.015 1
1 217 . 11 1 1 A 20 20 ALA CB C 1783 20.695 18.112 2.583 1
1 218 . 11 1 1 A 20 20 ALA N N 1783 121.753 120.409 1.344 1
1 219 . 11 1 1 A 21 21 CYS H H 1784 7.913 8.125 -0.212 1
1 220 . 11 1 1 A 21 21 CYS HA H 1784 4.236 4.232 0.004 1
1 223 . 11 1 1 A 21 21 CYS CA C 1784 61.963 60.949 1.014 1
1 224 . 11 1 1 A 21 21 CYS CB C 1784 26.965 27.060 -0.095 1
1 225 . 11 1 1 A 21 21 CYS N N 1784 112.237 114.848 -2.611 1
1 226 . 11 1 1 A 22 22 GLN H H 1785 7.320 8.041 -0.721 1
1 227 . 11 1 1 A 22 22 GLN HA H 1785 4.475 4.398 0.077 1
1 234 . 11 1 1 A 22 22 GLN CA C 1785 54.970 55.399 -0.429 1
1 235 . 11 1 1 A 22 22 GLN CB C 1785 30.731 29.329 1.402 1
1 237 . 11 1 1 A 22 22 GLN N N 1785 115.939 115.757 0.182 1
1 239 . 11 1 1 A 23 23 CYS H H 1786 7.268 7.432 -0.164 1
1 240 . 11 1 1 A 23 23 CYS HA H 1786 3.898 4.145 -0.247 1
1 243 . 11 1 1 A 23 23 CYS CA C 1786 60.800 59.683 1.117 1
1 244 . 11 1 1 A 23 23 CYS CB C 1786 28.848 28.459 0.389 1
1 245 . 11 1 1 A 23 23 CYS N N 1786 124.452 119.606 4.846 1
1 246 . 11 1 1 A 24 24 ARG H H 1787 8.854 8.615 0.239 1
1 247 . 11 1 1 A 24 24 ARG HA H 1787 4.539 4.092 0.447 1
1 254 . 11 1 1 A 24 24 ARG CA C 1787 54.735 57.762 -3.027 1
1 255 . 11 1 1 A 24 24 ARG CB C 1787 30.250 29.663 0.587 1
1 258 . 11 1 1 A 24 24 ARG N N 1787 130.523 125.433 5.090 1
1 259 . 11 1 1 A 25 25 ASN H H 1788 7.553 7.780 -0.227 1
1 260 . 11 1 1 A 25 25 ASN HA H 1788 4.799 4.951 -0.152 1
1 265 . 11 1 1 A 25 25 ASN CA C 1788 51.911 52.096 -0.185 1
1 266 . 11 1 1 A 25 25 ASN CB C 1788 39.203 40.343 -1.140 1
1 267 . 11 1 1 A 25 25 ASN N N 1788 119.613 117.812 1.801 1
1 269 . 11 1 1 A 26 26 ALA H H 1789 9.185 9.061 0.124 1
1 270 . 11 1 1 A 26 26 ALA HA H 1789 4.740 4.057 0.683 1
1 274 . 11 1 1 A 26 26 ALA CA C 1789 54.264 54.720 -0.456 1
1 275 . 11 1 1 A 26 26 ALA CB C 1789 18.796 18.471 0.325 1
1 276 . 11 1 1 A 26 26 ALA N N 1789 130.841 128.845 1.996 1
1 277 . 11 1 1 A 27 27 ASN H H 1790 8.520 7.800 0.720 1
1 278 . 11 1 1 A 27 27 ASN HA H 1790 4.761 4.886 -0.125 1
1 283 . 11 1 1 A 27 27 ASN CA C 1790 51.911 53.530 -1.619 1
1 284 . 11 1 1 A 27 27 ASN CB C 1790 38.967 39.112 -0.145 1
1 285 . 11 1 1 A 27 27 ASN N N 1790 113.345 113.749 -0.404 1
1 287 . 11 1 1 A 28 28 CYS H H 1791 7.224 7.186 0.038 1
1 288 . 11 1 1 A 28 28 CYS HA H 1791 4.950 4.316 0.634 1
1 291 . 11 1 1 A 28 28 CYS CA C 1791 61.257 60.228 1.029 1
1 292 . 11 1 1 A 28 28 CYS CB C 1791 30.495 28.986 1.509 1
1 293 . 11 1 1 A 28 28 CYS N N 1791 123.463 120.534 2.929 1
1 294 . 11 1 1 A 29 29 SER H H 1792 8.811 8.820 -0.009 1
1 295 . 11 1 1 A 29 29 SER HA H 1792 4.449 4.454 -0.005 1
1 298 . 11 1 1 A 29 29 SER CA C 1792 57.492 60.208 -2.716 1
1 299 . 11 1 1 A 29 29 SER CB C 1792 63.835 63.382 0.453 1
1 300 . 11 1 1 A 29 29 SER N N 1792 125.781 121.376 4.405 1
1 301 . 11 1 1 A 30 30 LEU H H 1793 7.851 7.333 0.518 1
1 302 . 11 1 1 A 30 30 LEU HA H 1793 4.507 4.469 0.038 1
1 312 . 11 1 1 A 30 30 LEU CA C 1793 53.558 52.907 0.651 1
1 313 . 11 1 1 A 30 30 LEU CB C 1793 42.270 43.328 -1.058 1
1 317 . 11 1 1 A 30 30 LEU N N 1793 125.656 123.356 2.300 1
1 318 . 11 1 1 A 31 31 PRO HA H 1794 4.363 4.282 0.081 1
1 325 . 11 1 1 A 31 31 PRO CA C 1794 64.787 65.215 -0.428 1
1 326 . 11 1 1 A 31 31 PRO CB C 1794 32.708 31.712 0.996 1
1 329 . 11 1 1 A 32 32 SER H H 1795 8.625 8.159 0.466 1
1 330 . 11 1 1 A 32 32 SER HA H 1795 4.309 4.222 0.087 1
1 332 . 11 1 1 A 32 32 SER CA C 1795 60.124 61.517 -1.393 1
1 333 . 11 1 1 A 32 32 SER CB C 1795 62.982 62.904 0.078 1
1 334 . 11 1 1 A 32 32 SER N N 1795 112.707 113.462 -0.755 1
1 335 . 11 1 1 A 33 33 CYS H H 1796 6.679 8.012 -1.333 1
1 336 . 11 1 1 A 33 33 CYS HA H 1796 4.108 3.993 0.115 1
1 339 . 11 1 1 A 33 33 CYS CA C 1796 62.669 62.700 -0.031 1
1 340 . 11 1 1 A 33 33 CYS CB C 1796 30.495 26.598 3.897 1
1 341 . 11 1 1 A 33 33 CYS N N 1796 126.200 121.286 4.914 1
1 342 . 11 1 1 A 34 34 GLN H H 1797 7.870 7.986 -0.116 1
1 343 . 11 1 1 A 34 34 GLN HA H 1797 3.867 3.926 -0.059 1
1 350 . 11 1 1 A 34 34 GLN CA C 1797 59.140 59.222 -0.082 1
1 351 . 11 1 1 A 34 34 GLN CB C 1797 31.360 28.115 3.245 1
1 353 . 11 1 1 A 34 34 GLN N N 1797 115.529 119.451 -3.922 1
1 355 . 11 1 1 A 35 35 LYS H H 1798 8.340 7.646 0.694 1
1 356 . 11 1 1 A 35 35 LYS HA H 1798 4.240 4.060 0.180 1
1 365 . 11 1 1 A 35 35 LYS CA C 1798 58.904 59.379 -0.475 1
1 366 . 11 1 1 A 35 35 LYS CB C 1798 32.686 32.239 0.447 1
1 370 . 11 1 1 A 35 35 LYS N N 1798 117.144 119.600 -2.456 1
1 371 . 11 1 1 A 36 36 MET H H 1799 8.163 8.468 -0.305 1
1 372 . 11 1 1 A 36 36 MET HA H 1799 4.369 4.114 0.255 1
1 380 . 11 1 1 A 36 36 MET CA C 1799 56.474 59.232 -2.758 1
1 381 . 11 1 1 A 36 36 MET CB C 1799 31.110 32.562 -1.452 1
1 384 . 11 1 1 A 36 36 MET N N 1799 117.485 118.920 -1.435 1
1 385 . 11 1 1 A 37 37 LYS H H 1800 9.337 8.244 1.093 1
1 386 . 11 1 1 A 37 37 LYS HA H 1800 3.840 3.962 -0.122 1
1 395 . 11 1 1 A 37 37 LYS CA C 1800 61.200 60.044 1.156 1
1 396 . 11 1 1 A 37 37 LYS CB C 1800 32.691 32.187 0.504 1
1 400 . 11 1 1 A 37 37 LYS N N 1800 120.830 119.281 1.549 1
1 401 . 11 1 1 A 38 38 ARG H H 1801 7.399 7.358 0.041 1
1 402 . 11 1 1 A 38 38 ARG HA H 1801 4.490 4.040 0.450 1
1 409 . 11 1 1 A 38 38 ARG CA C 1801 59.263 59.436 -0.173 1
1 410 . 11 1 1 A 38 38 ARG CB C 1801 31.179 30.054 1.125 1
1 413 . 11 1 1 A 38 38 ARG N N 1801 118.965 119.636 -0.671 1
1 414 . 11 1 1 A 39 39 VAL H H 1802 8.420 7.314 1.106 1
1 415 . 11 1 1 A 39 39 VAL HA H 1802 3.239 3.810 -0.571 1
1 423 . 11 1 1 A 39 39 VAL CA C 1802 67.140 65.429 1.711 1
1 424 . 11 1 1 A 39 39 VAL CB C 1802 31.685 31.497 0.188 1
1 427 . 11 1 1 A 39 39 VAL N N 1802 123.140 115.687 7.453 1
1 428 . 11 1 1 A 40 40 VAL H H 1803 8.195 8.126 0.069 1
1 429 . 11 1 1 A 40 40 VAL HA H 1803 3.403 3.822 -0.419 1
1 437 . 11 1 1 A 40 40 VAL CA C 1803 66.905 65.488 1.417 1
1 438 . 11 1 1 A 40 40 VAL CB C 1803 31.907 31.439 0.468 1
1 441 . 11 1 1 A 40 40 VAL N N 1803 118.716 122.961 -4.245 1
1 442 . 11 1 1 A 41 41 GLN H H 1804 8.310 8.088 0.222 1
1 443 . 11 1 1 A 41 41 GLN HA H 1804 3.916 4.083 -0.167 1
1 450 . 11 1 1 A 41 41 GLN CA C 1804 58.591 58.914 -0.323 1
1 451 . 11 1 1 A 41 41 GLN CB C 1804 28.561 28.520 0.041 1
1 453 . 11 1 1 A 41 41 GLN N N 1804 119.193 122.058 -2.865 1
1 455 . 11 1 1 A 42 42 HIS H H 1805 8.152 7.867 0.285 1
1 456 . 11 1 1 A 42 42 HIS HA H 1805 4.222 4.305 -0.083 1
1 461 . 11 1 1 A 42 42 HIS CA C 1805 59.139 59.596 -0.457 1
1 462 . 11 1 1 A 42 42 HIS CB C 1805 27.201 30.265 -3.064 1
1 465 . 11 1 1 A 42 42 HIS N N 1805 118.579 121.770 -3.191 1
1 466 . 11 1 1 A 43 43 THR H H 1806 7.997 8.423 -0.426 1
1 467 . 11 1 1 A 43 43 THR HA H 1806 3.888 4.085 -0.197 1
1 473 . 11 1 1 A 43 43 THR CA C 1806 65.728 65.380 0.348 1
1 474 . 11 1 1 A 43 43 THR CB C 1806 69.023 68.974 0.049 1
1 476 . 11 1 1 A 43 43 THR N N 1806 113.599 113.794 -0.195 1
1 477 . 11 1 1 A 44 44 LYS H H 1807 7.381 8.841 -1.460 1
1 478 . 11 1 1 A 44 44 LYS HA H 1807 4.190 4.214 -0.024 1
1 487 . 11 1 1 A 44 44 LYS CA C 1807 58.668 58.039 0.629 1
1 488 . 11 1 1 A 44 44 LYS CB C 1807 32.731 31.324 1.407 1
1 492 . 11 1 1 A 44 44 LYS N N 1807 120.270 119.599 0.671 1
1 493 . 11 1 1 A 45 45 GLY H H 1808 7.610 7.925 -0.315 1
1 494 . 11 1 1 A 45 45 GLY HA2 H 1808 3.610 4.012 -0.402 1
1 495 . 11 1 1 A 45 45 GLY HA3 H 1808 4.380 4.026 0.354 1
1 496 . 11 1 1 A 45 45 GLY CA C 1808 44.851 45.325 -0.474 1
1 497 . 11 1 1 A 45 45 GLY N N 1808 125.480 106.885 18.595 1
1 498 . 11 1 1 A 46 46 CYS H H 1809 6.898 7.723 -0.825 1
1 499 . 11 1 1 A 46 46 CYS HA H 1809 3.957 4.198 -0.241 1
1 502 . 11 1 1 A 46 46 CYS CA C 1809 60.551 59.445 1.106 1
1 503 . 11 1 1 A 46 46 CYS CB C 1809 30.260 28.833 1.427 1
1 504 . 11 1 1 A 46 46 CYS N N 1809 123.457 120.101 3.356 1
1 505 . 11 1 1 A 47 47 LYS HA H 1810 4.471 4.337 0.134 1
1 514 . 11 1 1 A 47 47 LYS CA C 1810 56.800 57.197 -0.397 1
1 515 . 11 1 1 A 47 47 LYS CB C 1810 33.840 32.361 1.479 1
1 518 . 11 1 1 A 48 48 ARG H H 1811 8.575 7.431 1.144 1
1 519 . 11 1 1 A 48 48 ARG HA H 1811 4.366 4.503 -0.137 1
1 526 . 11 1 1 A 48 48 ARG CA C 1811 57.256 57.810 -0.554 1
1 527 . 11 1 1 A 48 48 ARG CB C 1811 32.143 32.581 -0.438 1
1 530 . 11 1 1 A 48 48 ARG N N 1811 122.731 118.851 3.880 1
1 531 . 11 1 1 A 49 49 LYS H H 1812 8.663 7.762 0.901 1
1 532 . 11 1 1 A 49 49 LYS HA H 1812 4.521 4.144 0.377 1
1 539 . 11 1 1 A 49 49 LYS CA C 1812 57.256 58.408 -1.152 1
1 540 . 11 1 1 A 49 49 LYS CB C 1812 32.378 31.218 1.160 1
1 543 . 11 1 1 A 49 49 LYS N N 1812 118.409 118.055 0.354 1
1 544 . 11 1 1 A 50 50 THR HA H 1813 4.710 3.932 0.778 1
1 549 . 11 1 1 A 50 50 THR CA C 1813 63.846 65.888 -2.042 1
1 550 . 11 1 1 A 50 50 THR CB C 1813 68.317 68.385 -0.068 1
1 552 . 11 1 1 A 51 51 ASN HA H 1814 4.676 4.449 0.227 1
1 557 . 11 1 1 A 51 51 ASN CA C 1814 82.908 55.305 27.603 1
1 558 . 11 1 1 A 51 51 ASN CB C 1814 38.732 37.007 1.725 1
1 560 . 11 1 1 A 52 52 GLY H H 1815 7.879 7.735 0.144 1
1 561 . 11 1 1 A 52 52 GLY HA2 H 1815 4.300 3.978 0.322 1
1 562 . 11 1 1 A 52 52 GLY HA3 H 1815 3.831 3.982 -0.151 1
1 563 . 11 1 1 A 52 52 GLY CA C 1815 45.557 45.344 0.213 1
1 564 . 11 1 1 A 52 52 GLY N N 1815 129.890 106.855 23.035 1
1 565 . 11 1 1 A 53 53 GLY H H 1816 7.765 7.994 -0.229 1
1 566 . 11 1 1 A 53 53 GLY HA2 H 1816 3.885 3.966 -0.081 1
1 567 . 11 1 1 A 53 53 GLY HA3 H 1816 3.985 3.967 0.018 1
1 568 . 11 1 1 A 53 53 GLY CA C 1816 45.792 45.378 0.414 1
1 569 . 11 1 1 A 53 53 GLY N N 1816 128.949 107.979 20.970 1
1 570 . 11 1 1 A 54 54 CYS H H 1817 8.800 8.004 0.796 1
1 571 . 11 1 1 A 54 54 CYS HA H 1817 4.821 4.605 0.216 1
1 574 . 11 1 1 A 54 54 CYS CA C 1817 55.138 57.405 -2.267 1
1 575 . 11 1 1 A 54 54 CYS CB C 1817 30.966 28.749 2.217 1
1 576 . 11 1 1 A 54 54 CYS N N 1817 122.429 119.393 3.036 1
1 577 . 11 1 1 A 55 55 PRO HA H 1818 4.330 4.326 0.004 1
1 584 . 11 1 1 A 55 55 PRO CA C 1818 64.787 65.219 -0.432 1
1 585 . 11 1 1 A 55 55 PRO CB C 1818 32.613 32.005 0.608 1
1 588 . 11 1 1 A 56 56 VAL H H 1819 7.750 7.320 0.430 1
1 589 . 11 1 1 A 56 56 VAL HA H 1819 3.884 3.567 0.317 1
1 597 . 11 1 1 A 56 56 VAL CA C 1819 65.728 66.165 -0.437 1
1 598 . 11 1 1 A 56 56 VAL CB C 1819 32.849 31.139 1.710 1
1 601 . 11 1 1 A 56 56 VAL N N 1819 121.605 115.557 6.048 1
1 602 . 11 1 1 A 57 57 CYS H H 1820 8.884 8.069 0.815 1
1 603 . 11 1 1 A 57 57 CYS HA H 1820 4.106 3.874 0.232 1
1 606 . 11 1 1 A 57 57 CYS CA C 1820 65.728 63.665 2.063 1
1 607 . 11 1 1 A 57 57 CYS CB C 1820 30.250 27.051 3.199 1
1 608 . 11 1 1 A 57 57 CYS N N 1820 124.260 117.428 6.832 1
1 609 . 11 1 1 A 58 58 LYS H H 1821 8.133 7.584 0.549 1
1 610 . 11 1 1 A 58 58 LYS HA H 1821 3.942 3.849 0.093 1
1 619 . 11 1 1 A 58 58 LYS CA C 1821 59.610 59.715 -0.105 1
1 620 . 11 1 1 A 58 58 LYS CB C 1821 32.849 32.473 0.376 1
1 624 . 11 1 1 A 58 58 LYS N N 1821 117.129 120.955 -3.826 1
1 625 . 11 1 1 A 59 59 GLN H H 1822 7.318 7.851 -0.533 1
1 626 . 11 1 1 A 59 59 GLN HA H 1822 4.357 3.986 0.371 1
1 632 . 11 1 1 A 59 59 GLN N N 1822 117.943 118.729 -0.786 1
1 633 . 11 1 1 A 60 60 LEU H H 1823 8.667 7.551 1.116 1
1 634 . 11 1 1 A 60 60 LEU HA H 1823 4.950 3.917 1.033 1
1 647 . 11 1 1 A 60 60 LEU N N 1823 120.670 120.893 -0.223 1
1 648 . 11 1 1 A 61 61 ILE H H 1824 8.780 8.088 0.692 1
1 649 . 11 1 1 A 61 61 ILE HA H 1824 3.614 3.559 0.055 1
1 659 . 11 1 1 A 61 61 ILE CA C 1824 64.787 65.223 -0.436 1
1 660 . 11 1 1 A 61 61 ILE CB C 1824 37.320 36.849 0.471 1
1 664 . 11 1 1 A 61 61 ILE N N 1824 119.837 119.430 0.407 1
1 665 . 11 1 1 A 62 62 ALA H H 1825 7.675 8.355 -0.680 1
1 666 . 11 1 1 A 62 62 ALA HA H 1825 4.112 4.051 0.061 1
1 670 . 11 1 1 A 62 62 ALA CA C 1825 55.374 55.261 0.113 1
1 671 . 11 1 1 A 62 62 ALA CB C 1825 18.560 18.049 0.511 1
1 672 . 11 1 1 A 62 62 ALA N N 1825 122.779 122.903 -0.124 1
1 673 . 11 1 1 A 63 63 LEU H H 1826 7.983 7.646 0.337 1
1 674 . 11 1 1 A 63 63 LEU HA H 1826 4.114 4.037 0.077 1
1 684 . 11 1 1 A 63 63 LEU CA C 1826 58.334 58.040 0.294 1
1 685 . 11 1 1 A 63 63 LEU CB C 1826 42.821 41.460 1.361 1
1 689 . 11 1 1 A 63 63 LEU N N 1826 118.291 118.132 0.159 1
1 690 . 11 1 1 A 64 64 CYS H H 1827 8.663 8.033 0.630 1
1 691 . 11 1 1 A 64 64 CYS HA H 1827 4.350 4.191 0.159 1
1 694 . 11 1 1 A 64 64 CYS CA C 1827 64.800 62.630 2.170 1
1 695 . 11 1 1 A 64 64 CYS CB C 1827 26.495 25.824 0.671 1
1 696 . 11 1 1 A 64 64 CYS N N 1827 118.409 117.507 0.902 1
1 697 . 11 1 1 A 65 65 CYS H H 1828 8.672 8.572 0.100 1
1 698 . 11 1 1 A 65 65 CYS HA H 1828 4.152 4.049 0.103 1
1 701 . 11 1 1 A 65 65 CYS CA C 1828 63.547 63.166 0.381 1
1 702 . 11 1 1 A 65 65 CYS CB C 1828 26.495 26.379 0.116 1
1 703 . 11 1 1 A 65 65 CYS N N 1828 118.996 122.061 -3.065 1
1 704 . 11 1 1 A 66 66 TYR H H 1829 7.837 8.548 -0.711 1
1 705 . 11 1 1 A 66 66 TYR HA H 1829 4.199 4.195 0.004 1
1 712 . 11 1 1 A 66 66 TYR CA C 1829 61.220 61.794 -0.574 1
1 713 . 11 1 1 A 66 66 TYR CB C 1829 38.261 38.421 -0.160 1
1 716 . 11 1 1 A 66 66 TYR N N 1829 120.650 122.205 -1.555 1
1 717 . 11 1 1 A 67 67 HIS H H 1830 8.323 8.442 -0.119 1
1 718 . 11 1 1 A 67 67 HIS HA H 1830 4.341 4.374 -0.033 1
1 723 . 11 1 1 A 67 67 HIS CA C 1830 58.668 60.394 -1.726 1
1 724 . 11 1 1 A 67 67 HIS CB C 1830 27.907 29.944 -2.037 1
1 727 . 11 1 1 A 67 67 HIS N N 1830 117.149 119.321 -2.172 1
1 728 . 11 1 1 A 68 68 ALA H H 1831 8.693 8.553 0.140 1
1 729 . 11 1 1 A 68 68 ALA HA H 1831 4.250 4.028 0.222 1
1 733 . 11 1 1 A 68 68 ALA CA C 1831 55.205 55.408 -0.203 1
1 734 . 11 1 1 A 68 68 ALA CB C 1831 20.695 18.506 2.189 1
1 735 . 11 1 1 A 68 68 ALA N N 1831 121.519 120.865 0.654 1
1 736 . 11 1 1 A 69 69 LYS H H 1832 7.126 8.186 -1.060 1
1 737 . 11 1 1 A 69 69 LYS HA H 1832 3.737 4.085 -0.348 1
1 746 . 11 1 1 A 69 69 LYS CA C 1832 57.962 59.576 -1.614 1
1 747 . 11 1 1 A 69 69 LYS CB C 1832 32.613 31.666 0.947 1
1 751 . 11 1 1 A 69 69 LYS N N 1832 114.376 119.033 -4.657 1
1 752 . 11 1 1 A 70 70 HIS H H 1833 6.884 7.381 -0.497 1
1 753 . 11 1 1 A 70 70 HIS HA H 1833 4.711 4.367 0.344 1
1 758 . 11 1 1 A 70 70 HIS CA C 1833 54.970 57.783 -2.813 1
1 759 . 11 1 1 A 70 70 HIS CB C 1833 31.201 30.858 0.343 1
1 762 . 11 1 1 A 70 70 HIS N N 1833 113.369 114.487 -1.118 1
1 763 . 11 1 1 A 71 71 CYS H H 1834 6.969 7.452 -0.483 1
1 764 . 11 1 1 A 71 71 CYS HA H 1834 4.210 4.252 -0.042 1
1 767 . 11 1 1 A 71 71 CYS CA C 1834 60.800 59.627 1.173 1
1 768 . 11 1 1 A 71 71 CYS CB C 1834 30.250 28.452 1.798 1
1 769 . 11 1 1 A 71 71 CYS N N 1834 123.813 118.139 5.674 1
1 770 . 11 1 1 A 72 72 GLN H H 1835 9.101 8.521 0.580 1
1 771 . 11 1 1 A 72 72 GLN HA H 1835 4.646 4.729 -0.083 1
1 778 . 11 1 1 A 72 72 GLN CA C 1835 54.735 55.353 -0.618 1
1 779 . 11 1 1 A 72 72 GLN CB C 1835 29.319 30.315 -0.996 1
1 781 . 11 1 1 A 72 72 GLN N N 1835 128.430 122.686 5.744 1
1 783 . 11 1 1 A 73 73 GLU H H 1836 8.331 7.156 1.175 1
1 784 . 11 1 1 A 73 73 GLU HA H 1836 4.365 4.387 -0.022 1
1 788 . 11 1 1 A 73 73 GLU CA C 1836 55.374 56.555 -1.181 1
1 789 . 11 1 1 A 73 73 GLU CB C 1836 30.731 30.297 0.434 1
1 791 . 11 1 1 A 73 73 GLU N N 1836 123.251 121.934 1.317 1
1 792 . 11 1 1 A 74 74 ASN HA H 1837 4.512 4.466 0.046 1
1 797 . 11 1 1 A 74 74 ASN CA C 1837 54.970 55.343 -0.373 1
1 798 . 11 1 1 A 74 74 ASN CB C 1837 38.732 38.415 0.317 1
1 800 . 11 1 1 A 75 75 LYS H H 1838 8.779 7.861 0.918 1
1 801 . 11 1 1 A 75 75 LYS HA H 1838 4.424 4.632 -0.208 1
1 810 . 11 1 1 A 75 75 LYS CA C 1838 54.735 55.081 -0.346 1
1 811 . 11 1 1 A 75 75 LYS CB C 1838 30.966 33.037 -2.071 1
1 815 . 11 1 1 A 75 75 LYS N N 1838 121.350 115.703 5.647 1
1 816 . 11 1 1 A 76 76 CYS H H 1839 7.590 7.000 0.590 1
1 817 . 11 1 1 A 76 76 CYS HA H 1839 4.361 4.367 -0.006 1
1 820 . 11 1 1 A 76 76 CYS CA C 1839 57.256 57.616 -0.360 1
1 821 . 11 1 1 A 76 76 CYS CB C 1839 30.731 28.175 2.556 1
1 822 . 11 1 1 A 76 76 CYS N N 1839 124.209 121.409 2.800 1
1 823 . 11 1 1 A 77 77 PRO HA H 1840 4.651 4.379 0.272 1
1 830 . 11 1 1 A 77 77 PRO CA C 1840 62.669 64.382 -1.713 1
1 831 . 11 1 1 A 77 77 PRO CB C 1840 32.849 31.945 0.904 1
1 834 . 11 1 1 A 78 78 VAL H H 1841 8.962 7.719 1.243 1
1 835 . 11 1 1 A 78 78 VAL HA H 1841 4.199 4.203 -0.004 1
1 843 . 11 1 1 A 78 78 VAL CA C 1841 61.257 60.905 0.352 1
1 844 . 11 1 1 A 78 78 VAL CB C 1841 31.672 32.096 -0.424 1
1 847 . 11 1 1 A 78 78 VAL N N 1841 128.606 119.549 9.057 1
1 848 . 11 1 1 A 79 79 PRO HA H 1842 3.936 4.194 -0.258 1
1 855 . 11 1 1 A 79 79 PRO CA C 1842 63.846 65.478 -1.632 1
1 856 . 11 1 1 A 79 79 PRO CB C 1842 30.731 31.730 -0.999 1
1 859 . 11 1 1 A 80 80 PHE HA H 1843 4.255 4.204 0.051 1
1 866 . 11 1 1 A 80 80 PHE CA C 1843 59.374 60.551 -1.177 1
1 867 . 11 1 1 A 80 80 PHE CB C 1843 37.791 37.835 -0.044 1
1 870 . 11 1 1 A 81 81 CYS H H 1844 7.660 8.277 -0.617 1
1 871 . 11 1 1 A 81 81 CYS HA H 1844 3.997 4.178 -0.181 1
1 874 . 11 1 1 A 81 81 CYS CA C 1844 64.552 62.533 2.019 1
1 875 . 11 1 1 A 81 81 CYS CB C 1844 30.495 26.889 3.606 1
1 876 . 11 1 1 A 81 81 CYS N N 1844 124.104 118.448 5.656 1
1 877 . 11 1 1 A 82 82 LEU H H 1845 8.170 8.359 -0.189 1
1 878 . 11 1 1 A 82 82 LEU HA H 1845 3.988 3.980 0.008 1
1 888 . 11 1 1 A 82 82 LEU CA C 1845 57.962 58.227 -0.265 1
1 889 . 11 1 1 A 82 82 LEU CB C 1845 41.321 41.441 -0.120 1
1 893 . 11 1 1 A 82 82 LEU N N 1845 115.950 120.926 -4.976 1
1 894 . 11 1 1 A 83 83 ASN H H 1846 7.826 8.087 -0.261 1
1 895 . 11 1 1 A 83 83 ASN HA H 1846 4.447 4.594 -0.147 1
1 900 . 11 1 1 A 83 83 ASN CA C 1846 56.800 56.421 0.379 1
1 901 . 11 1 1 A 83 83 ASN CB C 1846 38.967 38.632 0.335 1
1 902 . 11 1 1 A 83 83 ASN N N 1846 116.117 118.276 -2.159 1
1 904 . 11 1 1 A 84 84 ILE H H 1847 8.607 8.298 0.309 1
1 905 . 11 1 1 A 84 84 ILE HA H 1847 3.718 3.640 0.078 1
1 915 . 11 1 1 A 84 84 ILE CA C 1847 64.787 65.416 -0.629 1
1 916 . 11 1 1 A 84 84 ILE CB C 1847 38.497 37.818 0.679 1
1 920 . 11 1 1 A 84 84 ILE N N 1847 121.553 120.770 0.783 1
1 921 . 11 1 1 A 85 85 LYS H H 1848 8.855 8.302 0.553 1
1 922 . 11 1 1 A 85 85 LYS HA H 1848 3.859 3.944 -0.085 1
1 931 . 11 1 1 A 85 85 LYS CA C 1848 60.551 59.254 1.297 1
1 932 . 11 1 1 A 85 85 LYS CB C 1848 32.613 32.353 0.260 1
1 936 . 11 1 1 A 85 85 LYS N N 1848 119.992 118.916 1.076 1
1 937 . 11 1 1 A 86 86 HIS H H 1849 8.100 8.182 -0.082 1
1 938 . 11 1 1 A 86 86 HIS HA H 1849 4.411 4.290 0.121 1
1 943 . 11 1 1 A 86 86 HIS CA C 1849 58.433 60.141 -1.708 1
1 944 . 11 1 1 A 86 86 HIS CB C 1849 30.495 29.670 0.825 1
1 947 . 11 1 1 A 86 86 HIS N N 1849 117.237 119.805 -2.568 1
1 948 . 11 1 1 A 87 87 LYS H H 1850 7.685 8.291 -0.606 1
1 949 . 11 1 1 A 87 87 LYS HA H 1850 4.128 3.832 0.296 1
1 958 . 11 1 1 A 87 87 LYS CA C 1850 57.727 59.441 -1.714 1
1 959 . 11 1 1 A 87 87 LYS CB C 1850 32.378 32.597 -0.219 1
1 963 . 11 1 1 A 87 87 LYS N N 1850 119.118 117.520 1.598 1
1 964 . 11 1 1 A 88 88 LEU H H 1851 8.230 8.468 -0.238 1
1 965 . 11 1 1 A 88 88 LEU HA H 1851 4.174 3.903 0.271 1
1 975 . 11 1 1 A 88 88 LEU CA C 1851 56.800 57.816 -1.016 1
1 976 . 11 1 1 A 88 88 LEU CB C 1851 42.262 41.496 0.766 1
1 980 . 11 1 1 A 88 88 LEU N N 1851 119.305 119.942 -0.637 1
1 981 . 11 1 1 A 89 89 ARG H H 1852 7.765 8.429 -0.664 1
1 982 . 11 1 1 A 89 89 ARG HA H 1852 4.245 4.128 0.117 1
1 989 . 11 1 1 A 89 89 ARG CA C 1852 56.550 58.793 -2.243 1
1 990 . 11 1 1 A 89 89 ARG CB C 1852 30.260 29.845 0.415 1
1 993 . 11 1 1 A 89 89 ARG N N 1852 118.302 118.406 -0.104 1
1 994 . 11 1 1 A 90 90 GLN H H 1853 7.851 7.740 0.111 1
1 995 . 11 1 1 A 90 90 GLN HA H 1853 4.262 4.003 0.259 1
1 1002 . 11 1 1 A 90 90 GLN CA C 1853 55.609 58.142 -2.533 1
1 1003 . 11 1 1 A 90 90 GLN CB C 1853 29.554 28.502 1.052 1
1 1005 . 11 1 1 A 90 90 GLN N N 1853 119.450 119.844 -0.394 1
1 1007 . 11 1 1 A 91 91 GLN H H 1854 8.710 7.659 1.051 1
1 1008 . 11 1 1 A 91 91 GLN HA H 1854 4.317 4.167 0.150 1
1 1015 . 11 1 1 A 91 91 GLN CA C 1854 55.609 58.048 -2.439 1
1 1016 . 11 1 1 A 91 91 GLN CB C 1854 29.554 28.674 0.880 1
1 1018 . 11 1 1 A 91 91 GLN N N 1854 120.675 117.749 2.926 1
1 1038 . 11 2 2 B 2 2 HIS HA H 51 4.636 4.447 0.189 1
1 1043 . 11 2 2 B 2 2 HIS CA C 51 55.844 57.941 -2.097 1
1 1044 . 11 2 2 B 2 2 HIS CB C 51 30.495 29.955 0.540 1
1 1047 . 11 2 2 B 3 3 MET H H 52 8.230 7.715 0.515 1
1 1048 . 11 2 2 B 3 3 MET HA H 52 4.430 4.842 -0.412 1
1 1053 . 11 2 2 B 3 3 MET CA C 52 54.903 53.892 1.011 1
1 1054 . 11 2 2 B 3 3 MET CB C 52 33.840 35.178 -1.338 1
1 1056 . 11 2 2 B 3 3 MET N N 52 121.881 114.868 7.013 1
1 1057 . 11 2 2 B 4 4 ALA H H 53 8.269 8.586 -0.317 1
1 1058 . 11 2 2 B 4 4 ALA HA H 53 4.586 4.397 0.189 1
1 1062 . 11 2 2 B 4 4 ALA CA C 53 51.255 50.657 0.598 1
1 1063 . 11 2 2 B 4 4 ALA CB C 53 18.796 18.850 -0.054 1
1 1064 . 11 2 2 B 4 4 ALA N N 53 126.758 123.749 3.009 1
1 1065 . 11 2 2 B 5 5 PRO HA H 54 4.705 4.412 0.293 1
1 1072 . 11 2 2 B 5 5 PRO CA C 54 61.257 65.311 -4.054 1
1 1073 . 11 2 2 B 5 5 PRO CB C 54 30.966 31.914 -0.948 1
1 1076 . 11 2 2 B 6 6 GLU H H 55 8.468 7.649 0.819 1
1 1077 . 11 2 2 B 6 6 GLU HA H 55 4.150 4.698 -0.548 1
1 1082 . 11 2 2 B 6 6 GLU CA C 55 56.550 55.671 0.879 1
1 1083 . 11 2 2 B 6 6 GLU CB C 55 30.495 32.292 -1.797 1
1 1085 . 11 2 2 B 6 6 GLU N N 55 121.693 113.750 7.943 1
1 1086 . 11 2 2 B 7 7 ASP H H 56 8.574 8.656 -0.082 1
1 1087 . 11 2 2 B 7 7 ASP HA H 56 5.200 5.032 0.168 1
1 1090 . 11 2 2 B 7 7 ASP CA C 56 51.255 50.672 0.583 1
1 1091 . 11 2 2 B 7 7 ASP CB C 56 42.262 43.934 -1.672 1
1 1092 . 11 2 2 B 7 7 ASP N N 56 120.873 120.259 0.614 1
1 1093 . 11 2 2 B 8 8 PRO HA H 57 4.465 4.376 0.089 1
1 1100 . 11 2 2 B 8 8 PRO CA C 57 63.610 64.364 -0.754 1
1 1101 . 11 2 2 B 8 8 PRO CB C 57 32.378 31.942 0.436 1
1 1104 . 11 2 2 B 9 9 ASN H H 58 8.301 8.579 -0.278 1
1 1105 . 11 2 2 B 9 9 ASN HA H 58 4.809 4.644 0.165 1
1 1110 . 11 2 2 B 9 9 ASN CA C 58 53.558 54.026 -0.468 1
1 1111 . 11 2 2 B 9 9 ASN CB C 58 38.497 39.077 -0.580 1
1 1112 . 11 2 2 B 9 9 ASN N N 58 117.190 116.213 0.977 1
1 1114 . 11 2 2 B 10 10 GLU H H 59 7.366 8.254 -0.888 1
1 1115 . 11 2 2 B 10 10 GLU HA H 59 3.641 4.009 -0.368 1
1 1120 . 11 2 2 B 10 10 GLU CA C 59 60.800 59.006 1.794 1
1 1121 . 11 2 2 B 10 10 GLU CB C 59 29.554 28.785 0.769 1
1 1123 . 11 2 2 B 10 10 GLU N N 59 122.354 118.582 3.772 1
1 1124 . 11 2 2 B 11 11 GLU H H 60 8.618 8.313 0.305 1
1 1125 . 11 2 2 B 11 11 GLU HA H 60 3.933 4.043 -0.110 1
1 1130 . 11 2 2 B 11 11 GLU CA C 60 59.139 59.337 -0.198 1
1 1131 . 11 2 2 B 11 11 GLU CB C 60 29.830 29.323 0.507 1
1 1133 . 11 2 2 B 11 11 GLU N N 60 120.391 120.235 0.156 1
1 1134 . 11 2 2 B 12 12 ALA H H 61 8.280 7.573 0.707 1
1 1135 . 11 2 2 B 12 12 ALA HA H 61 4.180 4.007 0.173 1
1 1139 . 11 2 2 B 12 12 ALA CA C 61 55.205 55.043 0.162 1
1 1140 . 11 2 2 B 12 12 ALA CB C 61 20.695 18.277 2.418 1
1 1141 . 11 2 2 B 12 12 ALA N N 61 122.378 121.765 0.613 1
1 1142 . 11 2 2 B 13 13 VAL H H 62 7.773 7.956 -0.183 1
1 1143 . 11 2 2 B 13 13 VAL HA H 62 3.974 3.179 0.795 1
1 1151 . 11 2 2 B 13 13 VAL CA C 62 66.199 66.788 -0.589 1
1 1152 . 11 2 2 B 13 13 VAL CB C 62 31.907 31.376 0.531 1
1 1155 . 11 2 2 B 13 13 VAL N N 62 116.653 117.871 -1.218 1
1 1156 . 11 2 2 B 14 14 SER H H 63 8.288 8.107 0.181 1
1 1157 . 11 2 2 B 14 14 SER HA H 63 4.620 3.975 0.645 1
1 1160 . 11 2 2 B 14 14 SER CA C 63 60.786 62.220 -1.434 1
1 1161 . 11 2 2 B 14 14 SER CB C 63 62.434 63.172 -0.738 1
1 1162 . 11 2 2 B 14 14 SER N N 63 115.328 115.446 -0.118 1
1 1163 . 11 2 2 B 15 15 GLN H H 64 7.775 8.274 -0.499 1
1 1164 . 11 2 2 B 15 15 GLN HA H 64 4.190 4.148 0.042 1
1 1171 . 11 2 2 B 15 15 GLN CA C 64 57.492 58.002 -0.510 1
1 1172 . 11 2 2 B 15 15 GLN CB C 64 28.613 27.361 1.252 1
1 1174 . 11 2 2 B 15 15 GLN N N 64 119.350 118.293 1.057 1
1 1176 . 11 2 2 B 16 16 ILE H H 65 7.217 7.391 -0.174 1
1 1177 . 11 2 2 B 16 16 ILE HA H 65 3.788 3.949 -0.161 1
1 1186 . 11 2 2 B 16 16 ILE CA C 65 61.492 63.361 -1.869 1
1 1187 . 11 2 2 B 16 16 ILE CB C 65 37.320 38.913 -1.593 1
1 1191 . 11 2 2 B 16 16 ILE N N 65 117.427 119.153 -1.726 1
1 1192 . 11 2 2 B 17 17 PHE H H 66 8.370 7.598 0.772 1
1 1193 . 11 2 2 B 17 17 PHE HA H 66 4.407 4.945 -0.538 1
1 1200 . 11 2 2 B 17 17 PHE CA C 66 55.374 54.781 0.593 1
1 1201 . 11 2 2 B 17 17 PHE CB C 66 42.270 39.676 2.594 1
1 1205 . 11 2 2 B 17 17 PHE N N 66 117.389 115.535 1.854 1
1 1206 . 11 2 2 B 18 18 PRO HA H 67 4.784 4.767 0.017 1
1 1213 . 11 2 2 B 18 18 PRO CA C 67 62.669 62.366 0.303 1
1 1214 . 11 2 2 B 18 18 PRO CB C 67 32.378 33.409 -1.031 1
1 1217 . 11 2 2 B 19 19 ASP H H 68 9.127 9.072 0.055 1
1 1218 . 11 2 2 B 19 19 ASP HA H 68 4.261 4.476 -0.215 1
1 1221 . 11 2 2 B 19 19 ASP CA C 68 57.927 56.667 1.260 1
1 1222 . 11 2 2 B 19 19 ASP CB C 68 40.451 40.505 -0.054 1
1 1223 . 11 2 2 B 19 19 ASP N N 68 123.618 123.149 0.469 1
1 1224 . 11 2 2 B 20 20 SER H H 69 8.624 7.799 0.825 1
1 1225 . 11 2 2 B 20 20 SER HA H 69 4.816 4.370 0.446 1
1 1226 . 11 2 2 B 20 20 SER N N 69 112.914 111.898 1.016 1
1 1227 . 11 2 2 B 21 21 VAL H H 70 7.380 7.655 -0.275 1
1 1228 . 11 2 2 B 21 21 VAL HA H 70 3.958 4.772 -0.814 1
1 1236 . 11 2 2 B 21 21 VAL CA C 70 64.316 58.669 5.647 1
1 1237 . 11 2 2 B 21 21 VAL CB C 70 32.378 35.504 -3.126 1
1 1240 . 11 2 2 B 21 21 VAL N N 70 123.280 116.757 6.523 1
1 1241 . 11 2 2 B 22 22 MET H H 71 7.638 8.626 -0.988 1
1 1242 . 11 2 2 B 22 22 MET HA H 71 4.266 4.550 -0.284 1
1 1248 . 11 2 2 B 22 22 MET CA C 71 55.844 53.962 1.882 1
1 1249 . 11 2 2 B 22 22 MET CB C 71 31.907 31.106 0.801 1
1 1251 . 11 2 2 B 22 22 MET N N 71 117.825 123.379 -5.554 1
1 1252 . 11 2 2 B 23 23 LEU H H 72 8.102 7.830 0.272 1
1 1253 . 11 2 2 B 23 23 LEU HA H 72 4.132 4.036 0.096 1
1 1263 . 11 2 2 B 23 23 LEU CA C 72 56.786 58.157 -1.371 1
1 1264 . 11 2 2 B 23 23 LEU CB C 72 42.270 41.796 0.474 1
1 1268 . 11 2 2 B 23 23 LEU N N 72 119.633 126.616 -6.983 1
1 1269 . 11 2 2 B 24 24 ALA H H 73 7.464 8.381 -0.917 1
1 1270 . 11 2 2 B 24 24 ALA HA H 73 4.197 4.283 -0.086 1
1 1274 . 11 2 2 B 24 24 ALA CA C 73 84.840 54.594 30.246 1
1 1275 . 11 2 2 B 24 24 ALA CB C 73 19.266 18.597 0.669 1
1 1276 . 11 2 2 B 24 24 ALA N N 73 120.682 120.582 0.100 1
1 1277 . 11 2 2 B 25 25 VAL H H 74 7.668 7.964 -0.296 1
1 1278 . 11 2 2 B 25 25 VAL HA H 74 4.258 3.846 0.412 1
1 1286 . 11 2 2 B 25 25 VAL CA C 74 62.434 64.290 -1.856 1
1 1287 . 11 2 2 B 25 25 VAL CB C 74 31.672 31.654 0.018 1
1 1290 . 11 2 2 B 25 25 VAL N N 74 112.530 117.217 -4.687 1
1 1291 . 11 2 2 B 26 26 GLN H H 75 7.806 8.059 -0.253 1
1 1292 . 11 2 2 B 26 26 GLN HA H 75 4.308 4.602 -0.294 1
1 1299 . 11 2 2 B 26 26 GLN CA C 75 56.786 55.639 1.147 1
1 1300 . 11 2 2 B 26 26 GLN CB C 75 29.554 30.807 -1.253 1
1 1302 . 11 2 2 B 26 26 GLN N N 75 121.794 116.522 5.272 1
1 1304 . 11 2 2 B 27 27 GLU H H 76 8.340 7.755 0.585 1
1 1305 . 11 2 2 B 27 27 GLU HA H 76 4.349 4.847 -0.498 1
1 1310 . 11 2 2 B 27 27 GLU CA C 76 56.315 54.812 1.503 1
1 1311 . 11 2 2 B 27 27 GLU CB C 76 30.495 32.084 -1.589 1
1 1313 . 11 2 2 B 27 27 GLU N N 76 120.410 120.306 0.104 1
1 1314 . 11 2 2 B 28 28 GLY H H 77 8.295 9.082 -0.787 1
1 1315 . 11 2 2 B 28 28 GLY HA2 H 77 3.938 4.219 -0.281 1
1 1316 . 11 2 2 B 28 28 GLY HA3 H 77 4.190 4.228 -0.038 1
1 1317 . 11 2 2 B 28 28 GLY CA C 77 45.792 44.640 1.152 1
1 1318 . 11 2 2 B 28 28 GLY N N 77 109.255 113.552 -4.297 1
1 1319 . 11 2 2 B 29 29 ILE H H 78 7.889 9.213 -1.324 1
1 1320 . 11 2 2 B 29 29 ILE HA H 78 4.166 4.613 -0.447 1
1 1330 . 11 2 2 B 29 29 ILE CA C 78 60.786 60.154 0.632 1
1 1331 . 11 2 2 B 29 29 ILE CB C 78 39.203 37.920 1.283 1
1 1335 . 11 2 2 B 29 29 ILE N N 78 119.126 122.274 -3.148 1
1 1336 . 11 2 2 B 30 30 ASP H H 79 8.442 8.874 -0.432 1
1 1337 . 11 2 2 B 30 30 ASP HA H 79 4.577 4.727 -0.150 1
1 1340 . 11 2 2 B 30 30 ASP CA C 79 55.255 54.060 1.195 1
1 1341 . 11 2 2 B 30 30 ASP CB C 79 41.850 39.582 2.268 1
1 1342 . 11 2 2 B 30 30 ASP N N 79 123.665 128.988 -5.323 1
1 1343 . 11 2 2 B 31 31 LEU H H 80 8.141 7.945 0.196 1
1 1344 . 11 2 2 B 31 31 LEU HA H 80 4.292 4.187 0.105 1
1 1354 . 11 2 2 B 31 31 LEU CA C 80 55.205 57.027 -1.822 1
1 1355 . 11 2 2 B 31 31 LEU CB C 80 42.262 41.989 0.273 1
1 1359 . 11 2 2 B 31 31 LEU N N 80 122.359 122.877 -0.518 1
1 1360 . 11 2 2 B 32 32 LEU H H 81 8.840 7.739 1.101 1
1 1361 . 11 2 2 B 32 32 LEU HA H 81 4.256 4.190 0.066 1
1 1371 . 11 2 2 B 32 32 LEU CA C 81 54.903 56.680 -1.777 1
1 1372 . 11 2 2 B 32 32 LEU CB C 81 42.497 42.079 0.418 1
1 1376 . 11 2 2 B 32 32 LEU N N 81 120.762 118.316 2.446 1
1 1377 . 11 2 2 B 33 33 THR H H 82 7.728 7.714 0.014 1
1 1378 . 11 2 2 B 33 33 THR HA H 82 4.226 4.217 0.009 1
1 1383 . 11 2 2 B 33 33 THR CA C 82 61.220 63.979 -2.759 1
1 1384 . 11 2 2 B 33 33 THR CB C 82 69.494 68.797 0.697 1
1 1386 . 11 2 2 B 33 33 THR N N 82 113.606 113.100 0.506 1
1 1387 . 11 2 2 B 34 34 PHE H H 83 8.181 8.039 0.142 1
1 1388 . 11 2 2 B 34 34 PHE HA H 83 4.825 4.683 0.142 1
1 1395 . 11 2 2 B 34 34 PHE CA C 83 55.138 56.022 -0.884 1
1 1396 . 11 2 2 B 34 34 PHE CB C 83 39.203 38.082 1.121 1
1 1399 . 11 2 2 B 34 34 PHE N N 83 123.600 120.878 2.722 1
1 1400 . 11 2 2 B 35 35 PRO HA H 84 4.765 4.691 0.074 1
1 1407 . 11 2 2 B 35 35 PRO CA C 84 62.900 61.911 0.989 1
1 1408 . 11 2 2 B 35 35 PRO CB C 84 32.538 32.391 0.147 1
1 1411 . 11 2 2 B 36 36 PRO HA H 85 4.422 4.418 0.004 1
1 1418 . 11 2 2 B 36 36 PRO CA C 85 62.434 64.527 -2.093 1
1 1419 . 11 2 2 B 36 36 PRO CB C 85 32.143 32.093 0.050 1
1 1422 . 11 2 2 B 37 37 ALA H H 86 8.370 7.177 1.193 1
1 1423 . 11 2 2 B 37 37 ALA HA H 86 4.429 4.760 -0.331 1
1 1427 . 11 2 2 B 37 37 ALA CA C 86 50.263 50.017 0.246 1
1 1428 . 11 2 2 B 37 37 ALA CB C 86 19.972 21.549 -1.577 1
1 1429 . 11 2 2 B 37 37 ALA N N 86 125.277 116.474 8.803 1
1 1430 . 11 2 2 B 38 38 PRO HA H 87 4.388 4.504 -0.116 1
1 1437 . 11 2 2 B 38 38 PRO CA C 87 63.140 64.034 -0.894 1
1 1438 . 11 2 2 B 38 38 PRO CB C 87 32.143 31.930 0.213 1
1 1441 . 11 2 2 B 39 39 GLY H H 88 8.503 8.424 0.079 1
1 1442 . 11 2 2 B 39 39 GLY HA2 H 88 3.895 4.003 -0.108 1
1 1443 . 11 2 2 B 39 39 GLY HA3 H 88 3.981 4.003 -0.022 1
1 1444 . 11 2 2 B 39 39 GLY CA C 88 74.671 46.789 27.882 1
1 1445 . 11 2 2 B 39 39 GLY N N 88 109.831 107.447 2.384 1
1 1446 . 11 2 2 B 40 40 SER H H 89 8.800 8.407 0.393 1
1 1447 . 11 2 2 B 40 40 SER HA H 89 4.748 4.821 -0.073 1
1 1450 . 11 2 2 B 40 40 SER CA C 89 56.800 56.806 -0.006 1
1 1451 . 11 2 2 B 40 40 SER CB C 89 63.140 63.213 -0.073 1
1 1452 . 11 2 2 B 40 40 SER N N 89 116.937 116.727 0.210 1
1 1453 . 11 2 2 B 41 41 PRO HA H 90 4.441 4.529 -0.088 1
1 1460 . 11 2 2 B 41 41 PRO CA C 90 63.140 64.091 -0.951 1
1 1461 . 11 2 2 B 41 41 PRO CB C 90 32.143 31.908 0.235 1
1 6 . 12 1 1 A 2 2 PRO HA H 1765 4.433 4.287 0.146 1
1 13 . 12 1 1 A 2 2 PRO CA C 1765 64.810 65.504 -0.694 1
1 14 . 12 1 1 A 2 2 PRO CB C 1765 31.907 31.933 -0.026 1
1 17 . 12 1 1 A 3 3 GLN H H 1766 8.442 8.238 0.204 1
1 18 . 12 1 1 A 3 3 GLN HA H 1766 3.889 4.036 -0.147 1
1 25 . 12 1 1 A 3 3 GLN CA C 1766 59.103 59.188 -0.085 1
1 26 . 12 1 1 A 3 3 GLN CB C 1766 28.595 28.367 0.228 1
1 28 . 12 1 1 A 3 3 GLN N N 1766 115.685 117.879 -2.194 1
1 30 . 12 1 1 A 4 4 GLU H H 1767 8.161 8.321 -0.160 1
1 31 . 12 1 1 A 4 4 GLU HA H 1767 4.197 4.082 0.115 1
1 36 . 12 1 1 A 4 4 GLU CA C 1767 57.727 59.601 -1.874 1
1 37 . 12 1 1 A 4 4 GLU CB C 1767 30.250 29.341 0.909 1
1 39 . 12 1 1 A 4 4 GLU N N 1767 121.941 121.253 0.688 1
1 40 . 12 1 1 A 5 5 SER H H 1768 8.291 8.227 0.064 1
1 41 . 12 1 1 A 5 5 SER HA H 1768 4.280 4.130 0.150 1
1 44 . 12 1 1 A 5 5 SER CA C 1768 60.800 61.694 -0.894 1
1 45 . 12 1 1 A 5 5 SER CB C 1768 63.435 62.870 0.565 1
1 46 . 12 1 1 A 5 5 SER N N 1768 116.360 117.250 -0.890 1
1 47 . 12 1 1 A 6 6 ARG H H 1769 7.935 8.155 -0.220 1
1 48 . 12 1 1 A 6 6 ARG HA H 1769 4.120 4.031 0.089 1
1 52 . 12 1 1 A 6 6 ARG N N 1769 122.139 122.052 0.087 1
1 53 . 12 1 1 A 7 7 ARG H H 1770 7.952 7.944 0.008 1
1 54 . 12 1 1 A 7 7 ARG HA H 1770 3.939 3.974 -0.035 1
1 61 . 12 1 1 A 7 7 ARG N N 1770 119.527 119.878 -0.351 1
1 62 . 12 1 1 A 8 8 LEU H H 1771 8.120 8.294 -0.174 1
1 63 . 12 1 1 A 8 8 LEU HA H 1771 4.188 3.998 0.190 1
1 73 . 12 1 1 A 8 8 LEU CA C 1771 56.786 57.743 -0.957 1
1 74 . 12 1 1 A 8 8 LEU CB C 1771 41.556 41.725 -0.169 1
1 78 . 12 1 1 A 8 8 LEU N N 1771 120.237 120.578 -0.341 1
1 79 . 12 1 1 A 9 9 SER H H 1772 8.860 7.956 0.904 1
1 80 . 12 1 1 A 9 9 SER HA H 1772 4.224 4.009 0.215 1
1 83 . 12 1 1 A 9 9 SER CA C 1772 61.728 62.299 -0.571 1
1 84 . 12 1 1 A 9 9 SER CB C 1772 62.198 63.089 -0.891 1
1 85 . 12 1 1 A 9 9 SER N N 1772 116.214 113.613 2.601 1
1 86 . 12 1 1 A 10 10 ILE H H 1773 8.133 7.902 0.231 1
1 87 . 12 1 1 A 10 10 ILE HA H 1773 3.510 3.556 -0.046 1
1 97 . 12 1 1 A 10 10 ILE CA C 1773 64.787 65.137 -0.350 1
1 98 . 12 1 1 A 10 10 ILE CB C 1773 38.732 37.521 1.211 1
1 102 . 12 1 1 A 10 10 ILE N N 1773 122.927 121.380 1.547 1
1 103 . 12 1 1 A 11 11 GLN H H 1774 8.250 8.073 0.177 1
1 104 . 12 1 1 A 11 11 GLN HA H 1774 3.980 4.067 -0.087 1
1 111 . 12 1 1 A 11 11 GLN CA C 1774 58.900 58.257 0.643 1
1 113 . 12 1 1 A 11 11 GLN N N 1774 118.893 119.893 -1.000 1
1 115 . 12 1 1 A 12 12 ARG H H 1775 8.272 7.763 0.509 1
1 116 . 12 1 1 A 12 12 ARG HA H 1775 4.168 4.089 0.079 1
1 123 . 12 1 1 A 12 12 ARG CA C 1775 57.730 59.468 -1.738 1
1 126 . 12 1 1 A 12 12 ARG N N 1775 119.560 119.228 0.332 1
1 127 . 12 1 1 A 13 13 CYS HA H 1776 4.176 4.219 -0.043 1
1 130 . 12 1 1 A 13 13 CYS CA C 1776 63.610 62.042 1.568 1
1 131 . 12 1 1 A 13 13 CYS CB C 1776 26.965 27.267 -0.302 1
1 132 . 12 1 1 A 14 14 ILE H H 1777 8.597 7.893 0.704 1
1 133 . 12 1 1 A 14 14 ILE HA H 1777 3.735 3.713 0.022 1
1 143 . 12 1 1 A 14 14 ILE CA C 1777 65.220 64.915 0.305 1
1 144 . 12 1 1 A 14 14 ILE CB C 1777 37.320 36.966 0.354 1
1 148 . 12 1 1 A 14 14 ILE N N 1777 120.174 120.721 -0.547 1
1 149 . 12 1 1 A 15 15 GLN H H 1778 8.105 8.103 0.002 1
1 150 . 12 1 1 A 15 15 GLN HA H 1778 4.700 4.035 0.665 1
1 157 . 12 1 1 A 15 15 GLN CA C 1778 59.139 59.026 0.113 1
1 158 . 12 1 1 A 15 15 GLN CB C 1778 28.377 28.720 -0.343 1
1 160 . 12 1 1 A 15 15 GLN N N 1778 119.677 120.315 -0.638 1
1 162 . 12 1 1 A 16 16 SER H H 1779 8.115 7.573 0.542 1
1 163 . 12 1 1 A 16 16 SER HA H 1779 4.407 4.123 0.284 1
1 166 . 12 1 1 A 16 16 SER CA C 1779 61.963 62.593 -0.630 1
1 167 . 12 1 1 A 16 16 SER CB C 1779 63.425 62.950 0.475 1
1 168 . 12 1 1 A 16 16 SER N N 1779 116.542 116.423 0.119 1
1 169 . 12 1 1 A 17 17 LEU H H 1780 8.496 8.038 0.458 1
1 170 . 12 1 1 A 17 17 LEU HA H 1780 3.970 4.031 -0.061 1
1 180 . 12 1 1 A 17 17 LEU CA C 1780 58.286 58.438 -0.152 1
1 181 . 12 1 1 A 17 17 LEU CB C 1780 42.262 42.020 0.242 1
1 185 . 12 1 1 A 17 17 LEU N N 1780 124.870 123.149 1.721 1
1 186 . 12 1 1 A 18 18 VAL H H 1781 8.540 8.120 0.420 1
1 187 . 12 1 1 A 18 18 VAL HA H 1781 3.246 3.532 -0.286 1
1 195 . 12 1 1 A 18 18 VAL CA C 1781 66.905 66.816 0.089 1
1 196 . 12 1 1 A 18 18 VAL CB C 1781 31.672 31.691 -0.019 1
1 199 . 12 1 1 A 18 18 VAL N N 1781 119.345 119.132 0.213 1
1 200 . 12 1 1 A 19 19 HIS H H 1782 7.944 8.278 -0.334 1
1 201 . 12 1 1 A 19 19 HIS HA H 1782 4.191 4.103 0.088 1
1 206 . 12 1 1 A 19 19 HIS CA C 1782 59.845 60.225 -0.380 1
1 207 . 12 1 1 A 19 19 HIS CB C 1782 26.965 29.736 -2.771 1
1 210 . 12 1 1 A 19 19 HIS N N 1782 116.521 118.987 -2.466 1
1 211 . 12 1 1 A 20 20 ALA H H 1783 9.830 8.414 1.416 1
1 212 . 12 1 1 A 20 20 ALA HA H 1783 4.367 4.005 0.362 1
1 216 . 12 1 1 A 20 20 ALA CA C 1783 55.191 55.105 0.086 1
1 217 . 12 1 1 A 20 20 ALA CB C 1783 20.695 18.334 2.361 1
1 218 . 12 1 1 A 20 20 ALA N N 1783 121.753 120.407 1.346 1
1 219 . 12 1 1 A 21 21 CYS H H 1784 7.913 7.607 0.306 1
1 220 . 12 1 1 A 21 21 CYS HA H 1784 4.236 4.294 -0.058 1
1 223 . 12 1 1 A 21 21 CYS CA C 1784 61.963 60.576 1.387 1
1 224 . 12 1 1 A 21 21 CYS CB C 1784 26.965 26.724 0.241 1
1 225 . 12 1 1 A 21 21 CYS N N 1784 112.237 115.507 -3.270 1
1 226 . 12 1 1 A 22 22 GLN H H 1785 7.320 8.079 -0.759 1
1 227 . 12 1 1 A 22 22 GLN HA H 1785 4.475 4.414 0.061 1
1 234 . 12 1 1 A 22 22 GLN CA C 1785 54.970 55.242 -0.272 1
1 235 . 12 1 1 A 22 22 GLN CB C 1785 30.731 29.712 1.019 1
1 237 . 12 1 1 A 22 22 GLN N N 1785 115.939 115.521 0.418 1
1 239 . 12 1 1 A 23 23 CYS H H 1786 7.268 7.469 -0.201 1
1 240 . 12 1 1 A 23 23 CYS HA H 1786 3.898 4.170 -0.272 1
1 243 . 12 1 1 A 23 23 CYS CA C 1786 60.800 59.755 1.045 1
1 244 . 12 1 1 A 23 23 CYS CB C 1786 28.848 28.433 0.415 1
1 245 . 12 1 1 A 23 23 CYS N N 1786 124.452 119.509 4.943 1
1 246 . 12 1 1 A 24 24 ARG H H 1787 8.854 8.989 -0.135 1
1 247 . 12 1 1 A 24 24 ARG HA H 1787 4.539 4.287 0.252 1
1 254 . 12 1 1 A 24 24 ARG CA C 1787 54.735 57.803 -3.068 1
1 255 . 12 1 1 A 24 24 ARG CB C 1787 30.250 30.502 -0.252 1
1 258 . 12 1 1 A 24 24 ARG N N 1787 130.523 127.841 2.682 1
1 259 . 12 1 1 A 25 25 ASN H H 1788 7.553 7.746 -0.193 1
1 260 . 12 1 1 A 25 25 ASN HA H 1788 4.799 4.950 -0.151 1
1 265 . 12 1 1 A 25 25 ASN CA C 1788 51.911 52.129 -0.218 1
1 266 . 12 1 1 A 25 25 ASN CB C 1788 39.203 40.560 -1.357 1
1 267 . 12 1 1 A 25 25 ASN N N 1788 119.613 118.043 1.570 1
1 269 . 12 1 1 A 26 26 ALA H H 1789 9.185 9.152 0.033 1
1 270 . 12 1 1 A 26 26 ALA HA H 1789 4.740 4.048 0.692 1
1 274 . 12 1 1 A 26 26 ALA CA C 1789 54.264 54.724 -0.460 1
1 275 . 12 1 1 A 26 26 ALA CB C 1789 18.796 18.477 0.319 1
1 276 . 12 1 1 A 26 26 ALA N N 1789 130.841 128.874 1.967 1
1 277 . 12 1 1 A 27 27 ASN H H 1790 8.520 7.847 0.673 1
1 278 . 12 1 1 A 27 27 ASN HA H 1790 4.761 4.894 -0.133 1
1 283 . 12 1 1 A 27 27 ASN CA C 1790 51.911 53.606 -1.695 1
1 284 . 12 1 1 A 27 27 ASN CB C 1790 38.967 39.054 -0.087 1
1 285 . 12 1 1 A 27 27 ASN N N 1790 113.345 113.633 -0.288 1
1 287 . 12 1 1 A 28 28 CYS H H 1791 7.224 7.213 0.011 1
1 288 . 12 1 1 A 28 28 CYS HA H 1791 4.950 4.323 0.627 1
1 291 . 12 1 1 A 28 28 CYS CA C 1791 61.257 60.075 1.182 1
1 292 . 12 1 1 A 28 28 CYS CB C 1791 30.495 29.058 1.437 1
1 293 . 12 1 1 A 28 28 CYS N N 1791 123.463 120.729 2.734 1
1 294 . 12 1 1 A 29 29 SER H H 1792 8.811 8.799 0.012 1
1 295 . 12 1 1 A 29 29 SER HA H 1792 4.449 4.379 0.070 1
1 298 . 12 1 1 A 29 29 SER CA C 1792 57.492 60.243 -2.751 1
1 299 . 12 1 1 A 29 29 SER CB C 1792 63.835 63.251 0.584 1
1 300 . 12 1 1 A 29 29 SER N N 1792 125.781 120.835 4.946 1
1 301 . 12 1 1 A 30 30 LEU H H 1793 7.851 7.292 0.559 1
1 302 . 12 1 1 A 30 30 LEU HA H 1793 4.507 4.443 0.064 1
1 312 . 12 1 1 A 30 30 LEU CA C 1793 53.558 52.851 0.707 1
1 313 . 12 1 1 A 30 30 LEU CB C 1793 42.270 43.112 -0.842 1
1 317 . 12 1 1 A 30 30 LEU N N 1793 125.656 123.310 2.346 1
1 318 . 12 1 1 A 31 31 PRO HA H 1794 4.363 4.272 0.091 1
1 325 . 12 1 1 A 31 31 PRO CA C 1794 64.787 65.211 -0.424 1
1 326 . 12 1 1 A 31 31 PRO CB C 1794 32.708 31.769 0.939 1
1 329 . 12 1 1 A 32 32 SER H H 1795 8.625 8.224 0.401 1
1 330 . 12 1 1 A 32 32 SER HA H 1795 4.309 4.157 0.152 1
1 332 . 12 1 1 A 32 32 SER CA C 1795 60.124 61.578 -1.454 1
1 333 . 12 1 1 A 32 32 SER CB C 1795 62.982 62.641 0.341 1
1 334 . 12 1 1 A 32 32 SER N N 1795 112.707 112.604 0.103 1
1 335 . 12 1 1 A 33 33 CYS H H 1796 6.679 8.090 -1.411 1
1 336 . 12 1 1 A 33 33 CYS HA H 1796 4.108 3.980 0.128 1
1 339 . 12 1 1 A 33 33 CYS CA C 1796 62.669 62.774 -0.105 1
1 340 . 12 1 1 A 33 33 CYS CB C 1796 30.495 26.740 3.755 1
1 341 . 12 1 1 A 33 33 CYS N N 1796 126.200 120.945 5.255 1
1 342 . 12 1 1 A 34 34 GLN H H 1797 7.870 8.165 -0.295 1
1 343 . 12 1 1 A 34 34 GLN HA H 1797 3.867 3.899 -0.032 1
1 350 . 12 1 1 A 34 34 GLN CA C 1797 59.140 59.339 -0.199 1
1 351 . 12 1 1 A 34 34 GLN CB C 1797 31.360 28.209 3.151 1
1 353 . 12 1 1 A 34 34 GLN N N 1797 115.529 119.913 -4.384 1
1 355 . 12 1 1 A 35 35 LYS H H 1798 8.340 8.024 0.316 1
1 356 . 12 1 1 A 35 35 LYS HA H 1798 4.240 4.042 0.198 1
1 365 . 12 1 1 A 35 35 LYS CA C 1798 58.904 59.371 -0.467 1
1 366 . 12 1 1 A 35 35 LYS CB C 1798 32.686 32.246 0.440 1
1 370 . 12 1 1 A 35 35 LYS N N 1798 117.144 119.241 -2.097 1
1 371 . 12 1 1 A 36 36 MET H H 1799 8.163 8.072 0.091 1
1 372 . 12 1 1 A 36 36 MET HA H 1799 4.369 4.096 0.273 1
1 380 . 12 1 1 A 36 36 MET CA C 1799 56.474 58.501 -2.027 1
1 381 . 12 1 1 A 36 36 MET CB C 1799 31.110 31.972 -0.862 1
1 384 . 12 1 1 A 36 36 MET N N 1799 117.485 118.979 -1.494 1
1 385 . 12 1 1 A 37 37 LYS H H 1800 9.337 8.305 1.032 1
1 386 . 12 1 1 A 37 37 LYS HA H 1800 3.840 3.992 -0.152 1
1 395 . 12 1 1 A 37 37 LYS CA C 1800 61.200 59.905 1.295 1
1 396 . 12 1 1 A 37 37 LYS CB C 1800 32.691 32.234 0.457 1
1 400 . 12 1 1 A 37 37 LYS N N 1800 120.830 119.110 1.720 1
1 401 . 12 1 1 A 38 38 ARG H H 1801 7.399 7.849 -0.450 1
1 402 . 12 1 1 A 38 38 ARG HA H 1801 4.490 4.057 0.433 1
1 409 . 12 1 1 A 38 38 ARG CA C 1801 59.263 59.291 -0.028 1
1 410 . 12 1 1 A 38 38 ARG CB C 1801 31.179 29.872 1.307 1
1 413 . 12 1 1 A 38 38 ARG N N 1801 118.965 119.199 -0.234 1
1 414 . 12 1 1 A 39 39 VAL H H 1802 8.420 7.951 0.469 1
1 415 . 12 1 1 A 39 39 VAL HA H 1802 3.239 3.602 -0.363 1
1 423 . 12 1 1 A 39 39 VAL CA C 1802 67.140 66.189 0.951 1
1 424 . 12 1 1 A 39 39 VAL CB C 1802 31.685 31.640 0.045 1
1 427 . 12 1 1 A 39 39 VAL N N 1802 123.140 119.460 3.680 1
1 428 . 12 1 1 A 40 40 VAL H H 1803 8.195 8.216 -0.021 1
1 429 . 12 1 1 A 40 40 VAL HA H 1803 3.403 3.594 -0.191 1
1 437 . 12 1 1 A 40 40 VAL CA C 1803 66.905 66.542 0.363 1
1 438 . 12 1 1 A 40 40 VAL CB C 1803 31.907 31.251 0.656 1
1 441 . 12 1 1 A 40 40 VAL N N 1803 118.716 120.698 -1.982 1
1 442 . 12 1 1 A 41 41 GLN H H 1804 8.310 8.205 0.105 1
1 443 . 12 1 1 A 41 41 GLN HA H 1804 3.916 4.126 -0.210 1
1 450 . 12 1 1 A 41 41 GLN CA C 1804 58.591 58.791 -0.200 1
1 451 . 12 1 1 A 41 41 GLN CB C 1804 28.561 28.614 -0.053 1
1 453 . 12 1 1 A 41 41 GLN N N 1804 119.193 118.709 0.484 1
1 455 . 12 1 1 A 42 42 HIS H H 1805 8.152 7.940 0.212 1
1 456 . 12 1 1 A 42 42 HIS HA H 1805 4.222 4.342 -0.120 1
1 461 . 12 1 1 A 42 42 HIS CA C 1805 59.139 59.442 -0.303 1
1 462 . 12 1 1 A 42 42 HIS CB C 1805 27.201 30.277 -3.076 1
1 465 . 12 1 1 A 42 42 HIS N N 1805 118.579 121.779 -3.200 1
1 466 . 12 1 1 A 43 43 THR H H 1806 7.997 8.569 -0.572 1
1 467 . 12 1 1 A 43 43 THR HA H 1806 3.888 4.029 -0.141 1
1 473 . 12 1 1 A 43 43 THR CA C 1806 65.728 65.306 0.422 1
1 474 . 12 1 1 A 43 43 THR CB C 1806 69.023 68.890 0.133 1
1 476 . 12 1 1 A 43 43 THR N N 1806 113.599 113.667 -0.068 1
1 477 . 12 1 1 A 44 44 LYS H H 1807 7.381 8.674 -1.293 1
1 478 . 12 1 1 A 44 44 LYS HA H 1807 4.190 4.286 -0.096 1
1 487 . 12 1 1 A 44 44 LYS CA C 1807 58.668 58.221 0.447 1
1 488 . 12 1 1 A 44 44 LYS CB C 1807 32.731 31.434 1.297 1
1 492 . 12 1 1 A 44 44 LYS N N 1807 120.270 119.581 0.689 1
1 493 . 12 1 1 A 45 45 GLY H H 1808 7.610 7.903 -0.293 1
1 494 . 12 1 1 A 45 45 GLY HA2 H 1808 3.610 4.043 -0.433 1
1 495 . 12 1 1 A 45 45 GLY HA3 H 1808 4.380 4.065 0.315 1
1 496 . 12 1 1 A 45 45 GLY CA C 1808 44.851 45.303 -0.452 1
1 497 . 12 1 1 A 45 45 GLY N N 1808 125.480 106.747 18.733 1
1 498 . 12 1 1 A 46 46 CYS H H 1809 6.898 7.381 -0.483 1
1 499 . 12 1 1 A 46 46 CYS HA H 1809 3.957 4.166 -0.209 1
1 502 . 12 1 1 A 46 46 CYS CA C 1809 60.551 59.415 1.136 1
1 503 . 12 1 1 A 46 46 CYS CB C 1809 30.260 28.787 1.473 1
1 504 . 12 1 1 A 46 46 CYS N N 1809 123.457 119.889 3.568 1
1 505 . 12 1 1 A 47 47 LYS HA H 1810 4.471 4.235 0.236 1
1 514 . 12 1 1 A 47 47 LYS CA C 1810 56.800 58.006 -1.206 1
1 515 . 12 1 1 A 47 47 LYS CB C 1810 33.840 32.299 1.541 1
1 518 . 12 1 1 A 48 48 ARG H H 1811 8.575 7.559 1.016 1
1 519 . 12 1 1 A 48 48 ARG HA H 1811 4.366 4.438 -0.072 1
1 526 . 12 1 1 A 48 48 ARG CA C 1811 57.256 56.607 0.649 1
1 527 . 12 1 1 A 48 48 ARG CB C 1811 32.143 32.068 0.075 1
1 530 . 12 1 1 A 48 48 ARG N N 1811 122.731 116.908 5.823 1
1 531 . 12 1 1 A 49 49 LYS H H 1812 8.663 8.011 0.652 1
1 532 . 12 1 1 A 49 49 LYS HA H 1812 4.521 4.331 0.190 1
1 539 . 12 1 1 A 49 49 LYS CA C 1812 57.256 56.775 0.481 1
1 540 . 12 1 1 A 49 49 LYS CB C 1812 32.378 32.440 -0.062 1
1 543 . 12 1 1 A 49 49 LYS N N 1812 118.409 119.320 -0.911 1
1 544 . 12 1 1 A 50 50 THR HA H 1813 4.710 3.909 0.801 1
1 549 . 12 1 1 A 50 50 THR CA C 1813 63.846 65.707 -1.861 1
1 550 . 12 1 1 A 50 50 THR CB C 1813 68.317 68.222 0.095 1
1 552 . 12 1 1 A 51 51 ASN HA H 1814 4.676 4.483 0.193 1
1 557 . 12 1 1 A 51 51 ASN CA C 1814 82.908 55.160 27.748 1
1 558 . 12 1 1 A 51 51 ASN CB C 1814 38.732 36.784 1.948 1
1 560 . 12 1 1 A 52 52 GLY H H 1815 7.879 7.514 0.365 1
1 561 . 12 1 1 A 52 52 GLY HA2 H 1815 4.300 3.948 0.352 1
1 562 . 12 1 1 A 52 52 GLY HA3 H 1815 3.831 3.951 -0.120 1
1 563 . 12 1 1 A 52 52 GLY CA C 1815 45.557 45.224 0.333 1
1 564 . 12 1 1 A 52 52 GLY N N 1815 129.890 106.718 23.172 1
1 565 . 12 1 1 A 53 53 GLY H H 1816 7.765 7.896 -0.131 1
1 566 . 12 1 1 A 53 53 GLY HA2 H 1816 3.885 3.993 -0.108 1
1 567 . 12 1 1 A 53 53 GLY HA3 H 1816 3.985 3.995 -0.010 1
1 568 . 12 1 1 A 53 53 GLY CA C 1816 45.792 45.565 0.227 1
1 569 . 12 1 1 A 53 53 GLY N N 1816 128.949 107.983 20.966 1
1 570 . 12 1 1 A 54 54 CYS H H 1817 8.800 7.705 1.095 1
1 571 . 12 1 1 A 54 54 CYS HA H 1817 4.821 4.633 0.188 1
1 574 . 12 1 1 A 54 54 CYS CA C 1817 55.138 57.211 -2.073 1
1 575 . 12 1 1 A 54 54 CYS CB C 1817 30.966 28.586 2.380 1
1 576 . 12 1 1 A 54 54 CYS N N 1817 122.429 119.447 2.982 1
1 577 . 12 1 1 A 55 55 PRO HA H 1818 4.330 4.343 -0.013 1
1 584 . 12 1 1 A 55 55 PRO CA C 1818 64.787 64.674 0.113 1
1 585 . 12 1 1 A 55 55 PRO CB C 1818 32.613 32.214 0.399 1
1 588 . 12 1 1 A 56 56 VAL H H 1819 7.750 7.369 0.381 1
1 589 . 12 1 1 A 56 56 VAL HA H 1819 3.884 3.498 0.386 1
1 597 . 12 1 1 A 56 56 VAL CA C 1819 65.728 66.349 -0.621 1
1 598 . 12 1 1 A 56 56 VAL CB C 1819 32.849 31.151 1.698 1
1 601 . 12 1 1 A 56 56 VAL N N 1819 121.605 115.763 5.842 1
1 602 . 12 1 1 A 57 57 CYS H H 1820 8.884 8.162 0.722 1
1 603 . 12 1 1 A 57 57 CYS HA H 1820 4.106 3.925 0.181 1
1 606 . 12 1 1 A 57 57 CYS CA C 1820 65.728 63.766 1.962 1
1 607 . 12 1 1 A 57 57 CYS CB C 1820 30.250 26.971 3.279 1
1 608 . 12 1 1 A 57 57 CYS N N 1820 124.260 117.590 6.670 1
1 609 . 12 1 1 A 58 58 LYS H H 1821 8.133 7.794 0.339 1
1 610 . 12 1 1 A 58 58 LYS HA H 1821 3.942 3.894 0.048 1
1 619 . 12 1 1 A 58 58 LYS CA C 1821 59.610 59.788 -0.178 1
1 620 . 12 1 1 A 58 58 LYS CB C 1821 32.849 32.258 0.591 1
1 624 . 12 1 1 A 58 58 LYS N N 1821 117.129 119.795 -2.666 1
1 625 . 12 1 1 A 59 59 GLN H H 1822 7.318 7.875 -0.557 1
1 626 . 12 1 1 A 59 59 GLN HA H 1822 4.357 3.888 0.469 1
1 632 . 12 1 1 A 59 59 GLN N N 1822 117.943 119.039 -1.096 1
1 633 . 12 1 1 A 60 60 LEU H H 1823 8.667 7.516 1.151 1
1 634 . 12 1 1 A 60 60 LEU HA H 1823 4.950 4.027 0.923 1
1 647 . 12 1 1 A 60 60 LEU N N 1823 120.670 121.557 -0.887 1
1 648 . 12 1 1 A 61 61 ILE H H 1824 8.780 8.389 0.391 1
1 649 . 12 1 1 A 61 61 ILE HA H 1824 3.614 3.502 0.112 1
1 659 . 12 1 1 A 61 61 ILE CA C 1824 64.787 65.461 -0.674 1
1 660 . 12 1 1 A 61 61 ILE CB C 1824 37.320 37.613 -0.293 1
1 664 . 12 1 1 A 61 61 ILE N N 1824 119.837 119.584 0.253 1
1 665 . 12 1 1 A 62 62 ALA H H 1825 7.675 8.095 -0.420 1
1 666 . 12 1 1 A 62 62 ALA HA H 1825 4.112 4.093 0.019 1
1 670 . 12 1 1 A 62 62 ALA CA C 1825 55.374 55.333 0.041 1
1 671 . 12 1 1 A 62 62 ALA CB C 1825 18.560 18.071 0.489 1
1 672 . 12 1 1 A 62 62 ALA N N 1825 122.779 121.298 1.481 1
1 673 . 12 1 1 A 63 63 LEU H H 1826 7.983 7.986 -0.003 1
1 674 . 12 1 1 A 63 63 LEU HA H 1826 4.114 3.991 0.123 1
1 684 . 12 1 1 A 63 63 LEU CA C 1826 58.334 58.037 0.297 1
1 685 . 12 1 1 A 63 63 LEU CB C 1826 42.821 41.561 1.260 1
1 689 . 12 1 1 A 63 63 LEU N N 1826 118.291 118.217 0.074 1
1 690 . 12 1 1 A 64 64 CYS H H 1827 8.663 8.322 0.341 1
1 691 . 12 1 1 A 64 64 CYS HA H 1827 4.350 4.140 0.210 1
1 694 . 12 1 1 A 64 64 CYS CA C 1827 64.800 62.848 1.952 1
1 695 . 12 1 1 A 64 64 CYS CB C 1827 26.495 26.906 -0.411 1
1 696 . 12 1 1 A 64 64 CYS N N 1827 118.409 118.044 0.365 1
1 697 . 12 1 1 A 65 65 CYS H H 1828 8.672 8.542 0.130 1
1 698 . 12 1 1 A 65 65 CYS HA H 1828 4.152 4.130 0.022 1
1 701 . 12 1 1 A 65 65 CYS CA C 1828 63.547 63.883 -0.336 1
1 702 . 12 1 1 A 65 65 CYS CB C 1828 26.495 27.226 -0.731 1
1 703 . 12 1 1 A 65 65 CYS N N 1828 118.996 119.015 -0.019 1
1 704 . 12 1 1 A 66 66 TYR H H 1829 7.837 8.485 -0.648 1
1 705 . 12 1 1 A 66 66 TYR HA H 1829 4.199 4.263 -0.064 1
1 712 . 12 1 1 A 66 66 TYR CA C 1829 61.220 61.840 -0.620 1
1 713 . 12 1 1 A 66 66 TYR CB C 1829 38.261 38.516 -0.255 1
1 716 . 12 1 1 A 66 66 TYR N N 1829 120.650 122.386 -1.736 1
1 717 . 12 1 1 A 67 67 HIS H H 1830 8.323 8.427 -0.104 1
1 718 . 12 1 1 A 67 67 HIS HA H 1830 4.341 4.385 -0.044 1
1 723 . 12 1 1 A 67 67 HIS CA C 1830 58.668 60.401 -1.733 1
1 724 . 12 1 1 A 67 67 HIS CB C 1830 27.907 29.920 -2.013 1
1 727 . 12 1 1 A 67 67 HIS N N 1830 117.149 119.525 -2.376 1
1 728 . 12 1 1 A 68 68 ALA H H 1831 8.693 8.645 0.048 1
1 729 . 12 1 1 A 68 68 ALA HA H 1831 4.250 4.037 0.213 1
1 733 . 12 1 1 A 68 68 ALA CA C 1831 55.205 55.416 -0.211 1
1 734 . 12 1 1 A 68 68 ALA CB C 1831 20.695 18.480 2.215 1
1 735 . 12 1 1 A 68 68 ALA N N 1831 121.519 120.883 0.636 1
1 736 . 12 1 1 A 69 69 LYS H H 1832 7.126 8.172 -1.046 1
1 737 . 12 1 1 A 69 69 LYS HA H 1832 3.737 4.055 -0.318 1
1 746 . 12 1 1 A 69 69 LYS CA C 1832 57.962 59.510 -1.548 1
1 747 . 12 1 1 A 69 69 LYS CB C 1832 32.613 31.745 0.868 1
1 751 . 12 1 1 A 69 69 LYS N N 1832 114.376 119.200 -4.824 1
1 752 . 12 1 1 A 70 70 HIS H H 1833 6.884 7.349 -0.465 1
1 753 . 12 1 1 A 70 70 HIS HA H 1833 4.711 4.369 0.342 1
1 758 . 12 1 1 A 70 70 HIS CA C 1833 54.970 57.816 -2.846 1
1 759 . 12 1 1 A 70 70 HIS CB C 1833 31.201 30.856 0.345 1
1 762 . 12 1 1 A 70 70 HIS N N 1833 113.369 114.482 -1.113 1
1 763 . 12 1 1 A 71 71 CYS H H 1834 6.969 7.467 -0.498 1
1 764 . 12 1 1 A 71 71 CYS HA H 1834 4.210 4.256 -0.046 1
1 767 . 12 1 1 A 71 71 CYS CA C 1834 60.800 59.830 0.970 1
1 768 . 12 1 1 A 71 71 CYS CB C 1834 30.250 28.404 1.846 1
1 769 . 12 1 1 A 71 71 CYS N N 1834 123.813 118.152 5.661 1
1 770 . 12 1 1 A 72 72 GLN H H 1835 9.101 8.496 0.605 1
1 771 . 12 1 1 A 72 72 GLN HA H 1835 4.646 4.719 -0.073 1
1 778 . 12 1 1 A 72 72 GLN CA C 1835 54.735 55.383 -0.648 1
1 779 . 12 1 1 A 72 72 GLN CB C 1835 29.319 30.488 -1.169 1
1 781 . 12 1 1 A 72 72 GLN N N 1835 128.430 122.664 5.766 1
1 783 . 12 1 1 A 73 73 GLU H H 1836 8.331 7.774 0.557 1
1 784 . 12 1 1 A 73 73 GLU HA H 1836 4.365 4.335 0.030 1
1 788 . 12 1 1 A 73 73 GLU CA C 1836 55.374 56.202 -0.828 1
1 789 . 12 1 1 A 73 73 GLU CB C 1836 30.731 31.016 -0.285 1
1 791 . 12 1 1 A 73 73 GLU N N 1836 123.251 121.655 1.596 1
1 792 . 12 1 1 A 74 74 ASN HA H 1837 4.512 4.432 0.080 1
1 797 . 12 1 1 A 74 74 ASN CA C 1837 54.970 55.309 -0.339 1
1 798 . 12 1 1 A 74 74 ASN CB C 1837 38.732 38.421 0.311 1
1 800 . 12 1 1 A 75 75 LYS H H 1838 8.779 7.891 0.888 1
1 801 . 12 1 1 A 75 75 LYS HA H 1838 4.424 4.585 -0.161 1
1 810 . 12 1 1 A 75 75 LYS CA C 1838 54.735 55.002 -0.267 1
1 811 . 12 1 1 A 75 75 LYS CB C 1838 30.966 32.919 -1.953 1
1 815 . 12 1 1 A 75 75 LYS N N 1838 121.350 116.094 5.256 1
1 816 . 12 1 1 A 76 76 CYS H H 1839 7.590 6.971 0.619 1
1 817 . 12 1 1 A 76 76 CYS HA H 1839 4.361 4.450 -0.089 1
1 820 . 12 1 1 A 76 76 CYS CA C 1839 57.256 57.644 -0.388 1
1 821 . 12 1 1 A 76 76 CYS CB C 1839 30.731 28.261 2.470 1
1 822 . 12 1 1 A 76 76 CYS N N 1839 124.209 121.129 3.080 1
1 823 . 12 1 1 A 77 77 PRO HA H 1840 4.651 4.378 0.273 1
1 830 . 12 1 1 A 77 77 PRO CA C 1840 62.669 64.289 -1.620 1
1 831 . 12 1 1 A 77 77 PRO CB C 1840 32.849 31.964 0.885 1
1 834 . 12 1 1 A 78 78 VAL H H 1841 8.962 7.745 1.217 1
1 835 . 12 1 1 A 78 78 VAL HA H 1841 4.199 4.134 0.065 1
1 843 . 12 1 1 A 78 78 VAL CA C 1841 61.257 60.915 0.342 1
1 844 . 12 1 1 A 78 78 VAL CB C 1841 31.672 32.083 -0.411 1
1 847 . 12 1 1 A 78 78 VAL N N 1841 128.606 119.568 9.038 1
1 848 . 12 1 1 A 79 79 PRO HA H 1842 3.936 4.173 -0.237 1
1 855 . 12 1 1 A 79 79 PRO CA C 1842 63.846 65.510 -1.664 1
1 856 . 12 1 1 A 79 79 PRO CB C 1842 30.731 31.543 -0.812 1
1 859 . 12 1 1 A 80 80 PHE HA H 1843 4.255 4.182 0.073 1
1 866 . 12 1 1 A 80 80 PHE CA C 1843 59.374 60.524 -1.150 1
1 867 . 12 1 1 A 80 80 PHE CB C 1843 37.791 37.853 -0.062 1
1 870 . 12 1 1 A 81 81 CYS H H 1844 7.660 8.391 -0.731 1
1 871 . 12 1 1 A 81 81 CYS HA H 1844 3.997 4.184 -0.187 1
1 874 . 12 1 1 A 81 81 CYS CA C 1844 64.552 62.521 2.031 1
1 875 . 12 1 1 A 81 81 CYS CB C 1844 30.495 26.786 3.709 1
1 876 . 12 1 1 A 81 81 CYS N N 1844 124.104 118.640 5.464 1
1 877 . 12 1 1 A 82 82 LEU H H 1845 8.170 8.333 -0.163 1
1 878 . 12 1 1 A 82 82 LEU HA H 1845 3.988 3.967 0.021 1
1 888 . 12 1 1 A 82 82 LEU CA C 1845 57.962 58.171 -0.209 1
1 889 . 12 1 1 A 82 82 LEU CB C 1845 41.321 41.374 -0.053 1
1 893 . 12 1 1 A 82 82 LEU N N 1845 115.950 121.020 -5.070 1
1 894 . 12 1 1 A 83 83 ASN H H 1846 7.826 8.341 -0.515 1
1 895 . 12 1 1 A 83 83 ASN HA H 1846 4.447 4.449 -0.002 1
1 900 . 12 1 1 A 83 83 ASN CA C 1846 56.800 56.978 -0.178 1
1 901 . 12 1 1 A 83 83 ASN CB C 1846 38.967 39.025 -0.058 1
1 902 . 12 1 1 A 83 83 ASN N N 1846 116.117 118.063 -1.946 1
1 904 . 12 1 1 A 84 84 ILE H H 1847 8.607 8.238 0.369 1
1 905 . 12 1 1 A 84 84 ILE HA H 1847 3.718 3.605 0.113 1
1 915 . 12 1 1 A 84 84 ILE CA C 1847 64.787 65.473 -0.686 1
1 916 . 12 1 1 A 84 84 ILE CB C 1847 38.497 37.956 0.541 1
1 920 . 12 1 1 A 84 84 ILE N N 1847 121.553 119.654 1.899 1
1 921 . 12 1 1 A 85 85 LYS H H 1848 8.855 8.073 0.782 1
1 922 . 12 1 1 A 85 85 LYS HA H 1848 3.859 3.941 -0.082 1
1 931 . 12 1 1 A 85 85 LYS CA C 1848 60.551 59.358 1.193 1
1 932 . 12 1 1 A 85 85 LYS CB C 1848 32.613 32.365 0.248 1
1 936 . 12 1 1 A 85 85 LYS N N 1848 119.992 118.977 1.015 1
1 937 . 12 1 1 A 86 86 HIS H H 1849 8.100 8.044 0.056 1
1 938 . 12 1 1 A 86 86 HIS HA H 1849 4.411 4.287 0.124 1
1 943 . 12 1 1 A 86 86 HIS CA C 1849 58.433 60.139 -1.706 1
1 944 . 12 1 1 A 86 86 HIS CB C 1849 30.495 29.534 0.961 1
1 947 . 12 1 1 A 86 86 HIS N N 1849 117.237 119.833 -2.596 1
1 948 . 12 1 1 A 87 87 LYS H H 1850 7.685 8.233 -0.548 1
1 949 . 12 1 1 A 87 87 LYS HA H 1850 4.128 3.888 0.240 1
1 958 . 12 1 1 A 87 87 LYS CA C 1850 57.727 59.357 -1.630 1
1 959 . 12 1 1 A 87 87 LYS CB C 1850 32.378 32.587 -0.209 1
1 963 . 12 1 1 A 87 87 LYS N N 1850 119.118 118.313 0.805 1
1 964 . 12 1 1 A 88 88 LEU H H 1851 8.230 8.659 -0.429 1
1 965 . 12 1 1 A 88 88 LEU HA H 1851 4.174 3.926 0.248 1
1 975 . 12 1 1 A 88 88 LEU CA C 1851 56.800 57.907 -1.107 1
1 976 . 12 1 1 A 88 88 LEU CB C 1851 42.262 41.501 0.761 1
1 980 . 12 1 1 A 88 88 LEU N N 1851 119.305 120.157 -0.852 1
1 981 . 12 1 1 A 89 89 ARG H H 1852 7.765 8.297 -0.532 1
1 982 . 12 1 1 A 89 89 ARG HA H 1852 4.245 3.991 0.254 1
1 989 . 12 1 1 A 89 89 ARG CA C 1852 56.550 59.343 -2.793 1
1 990 . 12 1 1 A 89 89 ARG CB C 1852 30.260 29.779 0.481 1
1 993 . 12 1 1 A 89 89 ARG N N 1852 118.302 118.995 -0.693 1
1 994 . 12 1 1 A 90 90 GLN H H 1853 7.851 7.600 0.251 1
1 995 . 12 1 1 A 90 90 GLN HA H 1853 4.262 4.078 0.184 1
1 1002 . 12 1 1 A 90 90 GLN CA C 1853 55.609 58.819 -3.210 1
1 1003 . 12 1 1 A 90 90 GLN CB C 1853 29.554 28.139 1.415 1
1 1005 . 12 1 1 A 90 90 GLN N N 1853 119.450 118.545 0.905 1
1 1007 . 12 1 1 A 91 91 GLN H H 1854 8.710 7.708 1.002 1
1 1008 . 12 1 1 A 91 91 GLN HA H 1854 4.317 4.102 0.215 1
1 1015 . 12 1 1 A 91 91 GLN CA C 1854 55.609 58.671 -3.062 1
1 1016 . 12 1 1 A 91 91 GLN CB C 1854 29.554 28.427 1.127 1
1 1018 . 12 1 1 A 91 91 GLN N N 1854 120.675 120.033 0.642 1
1 1038 . 12 2 2 B 2 2 HIS HA H 51 4.636 4.226 0.410 1
1 1043 . 12 2 2 B 2 2 HIS CA C 51 55.844 58.749 -2.905 1
1 1044 . 12 2 2 B 2 2 HIS CB C 51 30.495 30.099 0.396 1
1 1047 . 12 2 2 B 3 3 MET H H 52 8.230 8.014 0.216 1
1 1048 . 12 2 2 B 3 3 MET HA H 52 4.430 4.193 0.237 1
1 1053 . 12 2 2 B 3 3 MET CA C 52 54.903 56.337 -1.434 1
1 1054 . 12 2 2 B 3 3 MET CB C 52 33.840 31.840 2.000 1
1 1056 . 12 2 2 B 3 3 MET N N 52 121.881 115.620 6.261 1
1 1057 . 12 2 2 B 4 4 ALA H H 53 8.269 7.349 0.920 1
1 1058 . 12 2 2 B 4 4 ALA HA H 53 4.586 4.408 0.178 1
1 1062 . 12 2 2 B 4 4 ALA CA C 53 51.255 50.613 0.642 1
1 1063 . 12 2 2 B 4 4 ALA CB C 53 18.796 18.470 0.326 1
1 1064 . 12 2 2 B 4 4 ALA N N 53 126.758 124.393 2.365 1
1 1065 . 12 2 2 B 5 5 PRO HA H 54 4.705 4.658 0.047 1
1 1072 . 12 2 2 B 5 5 PRO CA C 54 61.257 62.438 -1.181 1
1 1073 . 12 2 2 B 5 5 PRO CB C 54 30.966 32.638 -1.672 1
1 1076 . 12 2 2 B 6 6 GLU H H 55 8.468 7.969 0.499 1
1 1077 . 12 2 2 B 6 6 GLU HA H 55 4.150 5.003 -0.853 1
1 1082 . 12 2 2 B 6 6 GLU CA C 55 56.550 55.207 1.343 1
1 1083 . 12 2 2 B 6 6 GLU CB C 55 30.495 33.055 -2.560 1
1 1085 . 12 2 2 B 6 6 GLU N N 55 121.693 114.237 7.456 1
1 1086 . 12 2 2 B 7 7 ASP H H 56 8.574 8.792 -0.218 1
1 1087 . 12 2 2 B 7 7 ASP HA H 56 5.200 4.905 0.295 1
1 1090 . 12 2 2 B 7 7 ASP CA C 56 51.255 51.921 -0.666 1
1 1091 . 12 2 2 B 7 7 ASP CB C 56 42.262 43.702 -1.440 1
1 1092 . 12 2 2 B 7 7 ASP N N 56 120.873 119.116 1.757 1
1 1093 . 12 2 2 B 8 8 PRO HA H 57 4.465 4.437 0.028 1
1 1100 . 12 2 2 B 8 8 PRO CA C 57 63.610 64.350 -0.740 1
1 1101 . 12 2 2 B 8 8 PRO CB C 57 32.378 31.772 0.606 1
1 1104 . 12 2 2 B 9 9 ASN H H 58 8.301 8.215 0.086 1
1 1105 . 12 2 2 B 9 9 ASN HA H 58 4.809 4.515 0.294 1
1 1110 . 12 2 2 B 9 9 ASN CA C 58 53.558 55.316 -1.758 1
1 1111 . 12 2 2 B 9 9 ASN CB C 58 38.497 37.964 0.533 1
1 1112 . 12 2 2 B 9 9 ASN N N 58 117.190 115.731 1.459 1
1 1114 . 12 2 2 B 10 10 GLU H H 59 7.366 8.375 -1.009 1
1 1115 . 12 2 2 B 10 10 GLU HA H 59 3.641 4.026 -0.385 1
1 1120 . 12 2 2 B 10 10 GLU CA C 59 60.800 58.949 1.851 1
1 1121 . 12 2 2 B 10 10 GLU CB C 59 29.554 28.698 0.856 1
1 1123 . 12 2 2 B 10 10 GLU N N 59 122.354 118.757 3.597 1
1 1124 . 12 2 2 B 11 11 GLU H H 60 8.618 8.596 0.022 1
1 1125 . 12 2 2 B 11 11 GLU HA H 60 3.933 3.946 -0.013 1
1 1130 . 12 2 2 B 11 11 GLU CA C 60 59.139 59.207 -0.068 1
1 1131 . 12 2 2 B 11 11 GLU CB C 60 29.830 29.729 0.101 1
1 1133 . 12 2 2 B 11 11 GLU N N 60 120.391 119.529 0.862 1
1 1134 . 12 2 2 B 12 12 ALA H H 61 8.280 7.418 0.862 1
1 1135 . 12 2 2 B 12 12 ALA HA H 61 4.180 3.991 0.189 1
1 1139 . 12 2 2 B 12 12 ALA CA C 61 55.205 55.007 0.198 1
1 1140 . 12 2 2 B 12 12 ALA CB C 61 20.695 18.194 2.501 1
1 1141 . 12 2 2 B 12 12 ALA N N 61 122.378 122.377 0.001 1
1 1142 . 12 2 2 B 13 13 VAL H H 62 7.773 8.006 -0.233 1
1 1143 . 12 2 2 B 13 13 VAL HA H 62 3.974 3.245 0.729 1
1 1151 . 12 2 2 B 13 13 VAL CA C 62 66.199 66.745 -0.546 1
1 1152 . 12 2 2 B 13 13 VAL CB C 62 31.907 31.584 0.323 1
1 1155 . 12 2 2 B 13 13 VAL N N 62 116.653 118.314 -1.661 1
1 1156 . 12 2 2 B 14 14 SER H H 63 8.288 8.113 0.175 1
1 1157 . 12 2 2 B 14 14 SER HA H 63 4.620 3.972 0.648 1
1 1160 . 12 2 2 B 14 14 SER CA C 63 60.786 62.044 -1.258 1
1 1161 . 12 2 2 B 14 14 SER CB C 63 62.434 63.003 -0.569 1
1 1162 . 12 2 2 B 14 14 SER N N 63 115.328 115.186 0.142 1
1 1163 . 12 2 2 B 15 15 GLN H H 64 7.775 8.311 -0.536 1
1 1164 . 12 2 2 B 15 15 GLN HA H 64 4.190 4.156 0.034 1
1 1171 . 12 2 2 B 15 15 GLN CA C 64 57.492 57.720 -0.228 1
1 1172 . 12 2 2 B 15 15 GLN CB C 64 28.613 27.370 1.243 1
1 1174 . 12 2 2 B 15 15 GLN N N 64 119.350 118.335 1.015 1
1 1176 . 12 2 2 B 16 16 ILE H H 65 7.217 7.439 -0.222 1
1 1177 . 12 2 2 B 16 16 ILE HA H 65 3.788 3.897 -0.109 1
1 1186 . 12 2 2 B 16 16 ILE CA C 65 61.492 63.023 -1.531 1
1 1187 . 12 2 2 B 16 16 ILE CB C 65 37.320 38.776 -1.456 1
1 1191 . 12 2 2 B 16 16 ILE N N 65 117.427 119.184 -1.757 1
1 1192 . 12 2 2 B 17 17 PHE H H 66 8.370 7.684 0.686 1
1 1193 . 12 2 2 B 17 17 PHE HA H 66 4.407 4.912 -0.505 1
1 1200 . 12 2 2 B 17 17 PHE CA C 66 55.374 55.531 -0.157 1
1 1201 . 12 2 2 B 17 17 PHE CB C 66 42.270 41.222 1.048 1
1 1205 . 12 2 2 B 17 17 PHE N N 66 117.389 115.150 2.239 1
1 1206 . 12 2 2 B 18 18 PRO HA H 67 4.784 4.811 -0.027 1
1 1213 . 12 2 2 B 18 18 PRO CA C 67 62.669 62.366 0.303 1
1 1214 . 12 2 2 B 18 18 PRO CB C 67 32.378 33.178 -0.800 1
1 1217 . 12 2 2 B 19 19 ASP H H 68 9.127 9.086 0.041 1
1 1218 . 12 2 2 B 19 19 ASP HA H 68 4.261 4.397 -0.136 1
1 1221 . 12 2 2 B 19 19 ASP CA C 68 57.927 56.969 0.958 1
1 1222 . 12 2 2 B 19 19 ASP CB C 68 40.451 40.345 0.106 1
1 1223 . 12 2 2 B 19 19 ASP N N 68 123.618 123.173 0.445 1
1 1224 . 12 2 2 B 20 20 SER H H 69 8.624 7.973 0.651 1
1 1225 . 12 2 2 B 20 20 SER HA H 69 4.816 4.358 0.458 1
1 1226 . 12 2 2 B 20 20 SER N N 69 112.914 113.095 -0.181 1
1 1227 . 12 2 2 B 21 21 VAL H H 70 7.380 7.650 -0.270 1
1 1228 . 12 2 2 B 21 21 VAL HA H 70 3.958 4.729 -0.771 1
1 1236 . 12 2 2 B 21 21 VAL CA C 70 64.316 58.847 5.469 1
1 1237 . 12 2 2 B 21 21 VAL CB C 70 32.378 35.981 -3.603 1
1 1240 . 12 2 2 B 21 21 VAL N N 70 123.280 115.647 7.633 1
1 1241 . 12 2 2 B 22 22 MET H H 71 7.638 8.805 -1.167 1
1 1242 . 12 2 2 B 22 22 MET HA H 71 4.266 4.576 -0.310 1
1 1248 . 12 2 2 B 22 22 MET CA C 71 55.844 54.542 1.302 1
1 1249 . 12 2 2 B 22 22 MET CB C 71 31.907 30.677 1.230 1
1 1251 . 12 2 2 B 22 22 MET N N 71 117.825 122.366 -4.541 1
1 1252 . 12 2 2 B 23 23 LEU H H 72 8.102 7.823 0.279 1
1 1253 . 12 2 2 B 23 23 LEU HA H 72 4.132 4.059 0.073 1
1 1263 . 12 2 2 B 23 23 LEU CA C 72 56.786 58.154 -1.368 1
1 1264 . 12 2 2 B 23 23 LEU CB C 72 42.270 41.807 0.463 1
1 1268 . 12 2 2 B 23 23 LEU N N 72 119.633 123.202 -3.569 1
1 1269 . 12 2 2 B 24 24 ALA H H 73 7.464 8.401 -0.937 1
1 1270 . 12 2 2 B 24 24 ALA HA H 73 4.197 4.094 0.103 1
1 1274 . 12 2 2 B 24 24 ALA CA C 73 84.840 55.129 29.711 1
1 1275 . 12 2 2 B 24 24 ALA CB C 73 19.266 18.566 0.700 1
1 1276 . 12 2 2 B 24 24 ALA N N 73 120.682 120.968 -0.286 1
1 1277 . 12 2 2 B 25 25 VAL H H 74 7.668 7.859 -0.191 1
1 1278 . 12 2 2 B 25 25 VAL HA H 74 4.258 3.909 0.349 1
1 1286 . 12 2 2 B 25 25 VAL CA C 74 62.434 63.847 -1.413 1
1 1287 . 12 2 2 B 25 25 VAL CB C 74 31.672 31.539 0.133 1
1 1290 . 12 2 2 B 25 25 VAL N N 74 112.530 116.484 -3.954 1
1 1291 . 12 2 2 B 26 26 GLN H H 75 7.806 8.105 -0.299 1
1 1292 . 12 2 2 B 26 26 GLN HA H 75 4.308 4.538 -0.230 1
1 1299 . 12 2 2 B 26 26 GLN CA C 75 56.786 55.180 1.606 1
1 1300 . 12 2 2 B 26 26 GLN CB C 75 29.554 29.980 -0.426 1
1 1302 . 12 2 2 B 26 26 GLN N N 75 121.794 115.426 6.368 1
1 1304 . 12 2 2 B 27 27 GLU H H 76 8.340 7.610 0.730 1
1 1305 . 12 2 2 B 27 27 GLU HA H 76 4.349 4.926 -0.577 1
1 1310 . 12 2 2 B 27 27 GLU CA C 76 56.315 55.007 1.308 1
1 1311 . 12 2 2 B 27 27 GLU CB C 76 30.495 33.459 -2.964 1
1 1313 . 12 2 2 B 27 27 GLU N N 76 120.410 121.022 -0.612 1
1 1314 . 12 2 2 B 28 28 GLY H H 77 8.295 8.467 -0.172 1
1 1315 . 12 2 2 B 28 28 GLY HA2 H 77 3.938 4.434 -0.496 1
1 1316 . 12 2 2 B 28 28 GLY HA3 H 77 4.190 4.445 -0.255 1
1 1317 . 12 2 2 B 28 28 GLY CA C 77 45.792 44.836 0.956 1
1 1318 . 12 2 2 B 28 28 GLY N N 77 109.255 110.521 -1.266 1
1 1319 . 12 2 2 B 29 29 ILE H H 78 7.889 8.988 -1.099 1
1 1320 . 12 2 2 B 29 29 ILE HA H 78 4.166 4.842 -0.676 1
1 1330 . 12 2 2 B 29 29 ILE CA C 78 60.786 59.876 0.910 1
1 1331 . 12 2 2 B 29 29 ILE CB C 78 39.203 40.730 -1.527 1
1 1335 . 12 2 2 B 29 29 ILE N N 78 119.126 121.108 -1.982 1
1 1336 . 12 2 2 B 30 30 ASP H H 79 8.442 8.609 -0.167 1
1 1337 . 12 2 2 B 30 30 ASP HA H 79 4.577 4.697 -0.120 1
1 1340 . 12 2 2 B 30 30 ASP CA C 79 55.255 52.889 2.366 1
1 1341 . 12 2 2 B 30 30 ASP CB C 79 41.850 39.233 2.617 1
1 1342 . 12 2 2 B 30 30 ASP N N 79 123.665 126.653 -2.988 1
1 1343 . 12 2 2 B 31 31 LEU H H 80 8.141 7.786 0.355 1
1 1344 . 12 2 2 B 31 31 LEU HA H 80 4.292 4.071 0.221 1
1 1354 . 12 2 2 B 31 31 LEU CA C 80 55.205 57.477 -2.272 1
1 1355 . 12 2 2 B 31 31 LEU CB C 80 42.262 42.081 0.181 1
1 1359 . 12 2 2 B 31 31 LEU N N 80 122.359 126.471 -4.112 1
1 1360 . 12 2 2 B 32 32 LEU H H 81 8.840 7.990 0.850 1
1 1361 . 12 2 2 B 32 32 LEU HA H 81 4.256 4.299 -0.043 1
1 1371 . 12 2 2 B 32 32 LEU CA C 81 54.903 57.444 -2.541 1
1 1372 . 12 2 2 B 32 32 LEU CB C 81 42.497 41.511 0.986 1
1 1376 . 12 2 2 B 32 32 LEU N N 81 120.762 118.419 2.343 1
1 1377 . 12 2 2 B 33 33 THR H H 82 7.728 7.930 -0.202 1
1 1378 . 12 2 2 B 33 33 THR HA H 82 4.226 4.133 0.093 1
1 1383 . 12 2 2 B 33 33 THR CA C 82 61.220 64.163 -2.943 1
1 1384 . 12 2 2 B 33 33 THR CB C 82 69.494 68.709 0.785 1
1 1386 . 12 2 2 B 33 33 THR N N 82 113.606 113.222 0.384 1
1 1387 . 12 2 2 B 34 34 PHE H H 83 8.181 7.687 0.494 1
1 1388 . 12 2 2 B 34 34 PHE HA H 83 4.825 4.613 0.212 1
1 1395 . 12 2 2 B 34 34 PHE CA C 83 55.138 56.031 -0.893 1
1 1396 . 12 2 2 B 34 34 PHE CB C 83 39.203 38.875 0.328 1
1 1399 . 12 2 2 B 34 34 PHE N N 83 123.600 118.648 4.952 1
1 1400 . 12 2 2 B 35 35 PRO HA H 84 4.765 4.470 0.295 1
1 1407 . 12 2 2 B 35 35 PRO CA C 84 62.900 62.080 0.820 1
1 1408 . 12 2 2 B 35 35 PRO CB C 84 32.538 31.816 0.722 1
1 1411 . 12 2 2 B 36 36 PRO HA H 85 4.422 4.090 0.332 1
1 1418 . 12 2 2 B 36 36 PRO CA C 85 62.434 64.046 -1.612 1
1 1419 . 12 2 2 B 36 36 PRO CB C 85 32.143 31.868 0.275 1
1 1422 . 12 2 2 B 37 37 ALA H H 86 8.370 8.153 0.217 1
1 1423 . 12 2 2 B 37 37 ALA HA H 86 4.429 4.352 0.077 1
1 1427 . 12 2 2 B 37 37 ALA CA C 86 50.263 51.407 -1.144 1
1 1428 . 12 2 2 B 37 37 ALA CB C 86 19.972 18.231 1.741 1
1 1429 . 12 2 2 B 37 37 ALA N N 86 125.277 126.626 -1.349 1
1 1430 . 12 2 2 B 38 38 PRO HA H 87 4.388 4.504 -0.116 1
1 1437 . 12 2 2 B 38 38 PRO CA C 87 63.140 63.876 -0.736 1
1 1438 . 12 2 2 B 38 38 PRO CB C 87 32.143 32.019 0.124 1
1 1441 . 12 2 2 B 39 39 GLY H H 88 8.503 7.309 1.194 1
1 1442 . 12 2 2 B 39 39 GLY HA2 H 88 3.895 4.055 -0.160 1
1 1443 . 12 2 2 B 39 39 GLY HA3 H 88 3.981 4.061 -0.080 1
1 1444 . 12 2 2 B 39 39 GLY CA C 88 74.671 45.352 29.319 1
1 1445 . 12 2 2 B 39 39 GLY N N 88 109.831 104.888 4.943 1
1 1446 . 12 2 2 B 40 40 SER H H 89 8.800 8.505 0.295 1
1 1447 . 12 2 2 B 40 40 SER HA H 89 4.748 4.689 0.059 1
1 1450 . 12 2 2 B 40 40 SER CA C 89 56.800 57.294 -0.494 1
1 1451 . 12 2 2 B 40 40 SER CB C 89 63.140 62.586 0.554 1
1 1452 . 12 2 2 B 40 40 SER N N 89 116.937 116.738 0.199 1
1 1453 . 12 2 2 B 41 41 PRO HA H 90 4.441 4.404 0.037 1
1 1460 . 12 2 2 B 41 41 PRO CA C 90 63.140 64.018 -0.878 1
1 1461 . 12 2 2 B 41 41 PRO CB C 90 32.143 31.966 0.177 1
1 6 . 13 1 1 A 2 2 PRO HA H 1765 4.433 4.293 0.140 1
1 13 . 13 1 1 A 2 2 PRO CA C 1765 64.810 65.237 -0.427 1
1 14 . 13 1 1 A 2 2 PRO CB C 1765 31.907 32.001 -0.094 1
1 17 . 13 1 1 A 3 3 GLN H H 1766 8.442 8.009 0.433 1
1 18 . 13 1 1 A 3 3 GLN HA H 1766 3.889 4.065 -0.176 1
1 25 . 13 1 1 A 3 3 GLN CA C 1766 59.103 58.939 0.164 1
1 26 . 13 1 1 A 3 3 GLN CB C 1766 28.595 27.844 0.751 1
1 28 . 13 1 1 A 3 3 GLN N N 1766 115.685 117.165 -1.480 1
1 30 . 13 1 1 A 4 4 GLU H H 1767 8.161 8.444 -0.283 1
1 31 . 13 1 1 A 4 4 GLU HA H 1767 4.197 4.078 0.119 1
1 36 . 13 1 1 A 4 4 GLU CA C 1767 57.727 59.591 -1.864 1
1 37 . 13 1 1 A 4 4 GLU CB C 1767 30.250 29.354 0.896 1
1 39 . 13 1 1 A 4 4 GLU N N 1767 121.941 119.968 1.973 1
1 40 . 13 1 1 A 5 5 SER H H 1768 8.291 8.149 0.142 1
1 41 . 13 1 1 A 5 5 SER HA H 1768 4.280 4.116 0.164 1
1 44 . 13 1 1 A 5 5 SER CA C 1768 60.800 61.821 -1.021 1
1 45 . 13 1 1 A 5 5 SER CB C 1768 63.435 62.795 0.640 1
1 46 . 13 1 1 A 5 5 SER N N 1768 116.360 117.329 -0.969 1
1 47 . 13 1 1 A 6 6 ARG H H 1769 7.935 7.861 0.074 1
1 48 . 13 1 1 A 6 6 ARG HA H 1769 4.120 4.156 -0.036 1
1 52 . 13 1 1 A 6 6 ARG N N 1769 122.139 121.677 0.462 1
1 53 . 13 1 1 A 7 7 ARG H H 1770 7.952 8.102 -0.150 1
1 54 . 13 1 1 A 7 7 ARG HA H 1770 3.939 4.073 -0.134 1
1 61 . 13 1 1 A 7 7 ARG N N 1770 119.527 120.125 -0.598 1
1 62 . 13 1 1 A 8 8 LEU H H 1771 8.120 8.210 -0.090 1
1 63 . 13 1 1 A 8 8 LEU HA H 1771 4.188 4.084 0.104 1
1 73 . 13 1 1 A 8 8 LEU CA C 1771 56.786 57.654 -0.868 1
1 74 . 13 1 1 A 8 8 LEU CB C 1771 41.556 41.561 -0.005 1
1 78 . 13 1 1 A 8 8 LEU N N 1771 120.237 120.169 0.068 1
1 79 . 13 1 1 A 9 9 SER H H 1772 8.860 7.991 0.869 1
1 80 . 13 1 1 A 9 9 SER HA H 1772 4.224 4.035 0.189 1
1 83 . 13 1 1 A 9 9 SER CA C 1772 61.728 62.431 -0.703 1
1 84 . 13 1 1 A 9 9 SER CB C 1772 62.198 63.151 -0.953 1
1 85 . 13 1 1 A 9 9 SER N N 1772 116.214 113.751 2.463 1
1 86 . 13 1 1 A 10 10 ILE H H 1773 8.133 8.125 0.008 1
1 87 . 13 1 1 A 10 10 ILE HA H 1773 3.510 3.689 -0.179 1
1 97 . 13 1 1 A 10 10 ILE CA C 1773 64.787 64.287 0.500 1
1 98 . 13 1 1 A 10 10 ILE CB C 1773 38.732 37.133 1.599 1
1 102 . 13 1 1 A 10 10 ILE N N 1773 122.927 121.180 1.747 1
1 103 . 13 1 1 A 11 11 GLN H H 1774 8.250 7.860 0.390 1
1 104 . 13 1 1 A 11 11 GLN HA H 1774 3.980 4.007 -0.027 1
1 111 . 13 1 1 A 11 11 GLN CA C 1774 58.900 58.482 0.418 1
1 113 . 13 1 1 A 11 11 GLN N N 1774 118.893 119.617 -0.724 1
1 115 . 13 1 1 A 12 12 ARG H H 1775 8.272 7.681 0.591 1
1 116 . 13 1 1 A 12 12 ARG HA H 1775 4.168 4.068 0.100 1
1 123 . 13 1 1 A 12 12 ARG CA C 1775 57.730 59.547 -1.817 1
1 126 . 13 1 1 A 12 12 ARG N N 1775 119.560 119.185 0.375 1
1 127 . 13 1 1 A 13 13 CYS HA H 1776 4.176 4.123 0.053 1
1 130 . 13 1 1 A 13 13 CYS CA C 1776 63.610 62.191 1.419 1
1 131 . 13 1 1 A 13 13 CYS CB C 1776 26.965 27.109 -0.144 1
1 132 . 13 1 1 A 14 14 ILE H H 1777 8.597 8.109 0.488 1
1 133 . 13 1 1 A 14 14 ILE HA H 1777 3.735 3.698 0.037 1
1 143 . 13 1 1 A 14 14 ILE CA C 1777 65.220 64.996 0.224 1
1 144 . 13 1 1 A 14 14 ILE CB C 1777 37.320 37.161 0.159 1
1 148 . 13 1 1 A 14 14 ILE N N 1777 120.174 120.235 -0.061 1
1 149 . 13 1 1 A 15 15 GLN H H 1778 8.105 8.030 0.075 1
1 150 . 13 1 1 A 15 15 GLN HA H 1778 4.700 4.088 0.612 1
1 157 . 13 1 1 A 15 15 GLN CA C 1778 59.139 59.047 0.092 1
1 158 . 13 1 1 A 15 15 GLN CB C 1778 28.377 28.578 -0.201 1
1 160 . 13 1 1 A 15 15 GLN N N 1778 119.677 120.723 -1.046 1
1 162 . 13 1 1 A 16 16 SER H H 1779 8.115 7.651 0.464 1
1 163 . 13 1 1 A 16 16 SER HA H 1779 4.407 4.130 0.277 1
1 166 . 13 1 1 A 16 16 SER CA C 1779 61.963 62.582 -0.619 1
1 167 . 13 1 1 A 16 16 SER CB C 1779 63.425 62.791 0.634 1
1 168 . 13 1 1 A 16 16 SER N N 1779 116.542 116.525 0.017 1
1 169 . 13 1 1 A 17 17 LEU H H 1780 8.496 7.974 0.522 1
1 170 . 13 1 1 A 17 17 LEU HA H 1780 3.970 4.024 -0.054 1
1 180 . 13 1 1 A 17 17 LEU CA C 1780 58.286 58.343 -0.057 1
1 181 . 13 1 1 A 17 17 LEU CB C 1780 42.262 41.846 0.416 1
1 185 . 13 1 1 A 17 17 LEU N N 1780 124.870 123.314 1.556 1
1 186 . 13 1 1 A 18 18 VAL H H 1781 8.540 8.104 0.436 1
1 187 . 13 1 1 A 18 18 VAL HA H 1781 3.246 3.517 -0.271 1
1 195 . 13 1 1 A 18 18 VAL CA C 1781 66.905 66.796 0.109 1
1 196 . 13 1 1 A 18 18 VAL CB C 1781 31.672 31.693 -0.021 1
1 199 . 13 1 1 A 18 18 VAL N N 1781 119.345 119.127 0.218 1
1 200 . 13 1 1 A 19 19 HIS H H 1782 7.944 8.339 -0.395 1
1 201 . 13 1 1 A 19 19 HIS HA H 1782 4.191 4.090 0.101 1
1 206 . 13 1 1 A 19 19 HIS CA C 1782 59.845 60.223 -0.378 1
1 207 . 13 1 1 A 19 19 HIS CB C 1782 26.965 29.756 -2.791 1
1 210 . 13 1 1 A 19 19 HIS N N 1782 116.521 119.062 -2.541 1
1 211 . 13 1 1 A 20 20 ALA H H 1783 9.830 8.388 1.442 1
1 212 . 13 1 1 A 20 20 ALA HA H 1783 4.367 4.058 0.309 1
1 216 . 13 1 1 A 20 20 ALA CA C 1783 55.191 55.017 0.174 1
1 217 . 13 1 1 A 20 20 ALA CB C 1783 20.695 18.327 2.368 1
1 218 . 13 1 1 A 20 20 ALA N N 1783 121.753 120.396 1.357 1
1 219 . 13 1 1 A 21 21 CYS H H 1784 7.913 7.555 0.358 1
1 220 . 13 1 1 A 21 21 CYS HA H 1784 4.236 4.405 -0.169 1
1 223 . 13 1 1 A 21 21 CYS CA C 1784 61.963 60.696 1.267 1
1 224 . 13 1 1 A 21 21 CYS CB C 1784 26.965 27.114 -0.149 1
1 225 . 13 1 1 A 21 21 CYS N N 1784 112.237 115.490 -3.253 1
1 226 . 13 1 1 A 22 22 GLN H H 1785 7.320 8.133 -0.813 1
1 227 . 13 1 1 A 22 22 GLN HA H 1785 4.475 4.409 0.066 1
1 234 . 13 1 1 A 22 22 GLN CA C 1785 54.970 55.524 -0.554 1
1 235 . 13 1 1 A 22 22 GLN CB C 1785 30.731 29.413 1.318 1
1 237 . 13 1 1 A 22 22 GLN N N 1785 115.939 115.283 0.656 1
1 239 . 13 1 1 A 23 23 CYS H H 1786 7.268 7.404 -0.136 1
1 240 . 13 1 1 A 23 23 CYS HA H 1786 3.898 4.142 -0.244 1
1 243 . 13 1 1 A 23 23 CYS CA C 1786 60.800 59.899 0.901 1
1 244 . 13 1 1 A 23 23 CYS CB C 1786 28.848 28.575 0.273 1
1 245 . 13 1 1 A 23 23 CYS N N 1786 124.452 119.665 4.787 1
1 246 . 13 1 1 A 24 24 ARG H H 1787 8.854 8.790 0.064 1
1 247 . 13 1 1 A 24 24 ARG HA H 1787 4.539 4.307 0.232 1
1 254 . 13 1 1 A 24 24 ARG CA C 1787 54.735 57.438 -2.703 1
1 255 . 13 1 1 A 24 24 ARG CB C 1787 30.250 30.529 -0.279 1
1 258 . 13 1 1 A 24 24 ARG N N 1787 130.523 126.614 3.909 1
1 259 . 13 1 1 A 25 25 ASN H H 1788 7.553 7.775 -0.222 1
1 260 . 13 1 1 A 25 25 ASN HA H 1788 4.799 4.964 -0.165 1
1 265 . 13 1 1 A 25 25 ASN CA C 1788 51.911 52.069 -0.158 1
1 266 . 13 1 1 A 25 25 ASN CB C 1788 39.203 40.549 -1.346 1
1 267 . 13 1 1 A 25 25 ASN N N 1788 119.613 118.006 1.607 1
1 269 . 13 1 1 A 26 26 ALA H H 1789 9.185 9.141 0.044 1
1 270 . 13 1 1 A 26 26 ALA HA H 1789 4.740 4.018 0.722 1
1 274 . 13 1 1 A 26 26 ALA CA C 1789 54.264 54.793 -0.529 1
1 275 . 13 1 1 A 26 26 ALA CB C 1789 18.796 18.478 0.318 1
1 276 . 13 1 1 A 26 26 ALA N N 1789 130.841 128.956 1.885 1
1 277 . 13 1 1 A 27 27 ASN H H 1790 8.520 7.734 0.786 1
1 278 . 13 1 1 A 27 27 ASN HA H 1790 4.761 4.782 -0.021 1
1 283 . 13 1 1 A 27 27 ASN CA C 1790 51.911 53.614 -1.703 1
1 284 . 13 1 1 A 27 27 ASN CB C 1790 38.967 39.066 -0.099 1
1 285 . 13 1 1 A 27 27 ASN N N 1790 113.345 113.865 -0.520 1
1 287 . 13 1 1 A 28 28 CYS H H 1791 7.224 7.269 -0.045 1
1 288 . 13 1 1 A 28 28 CYS HA H 1791 4.950 4.262 0.688 1
1 291 . 13 1 1 A 28 28 CYS CA C 1791 61.257 60.194 1.063 1
1 292 . 13 1 1 A 28 28 CYS CB C 1791 30.495 28.721 1.774 1
1 293 . 13 1 1 A 28 28 CYS N N 1791 123.463 120.680 2.783 1
1 294 . 13 1 1 A 29 29 SER H H 1792 8.811 8.849 -0.038 1
1 295 . 13 1 1 A 29 29 SER HA H 1792 4.449 4.368 0.081 1
1 298 . 13 1 1 A 29 29 SER CA C 1792 57.492 60.274 -2.782 1
1 299 . 13 1 1 A 29 29 SER CB C 1792 63.835 63.224 0.611 1
1 300 . 13 1 1 A 29 29 SER N N 1792 125.781 123.058 2.723 1
1 301 . 13 1 1 A 30 30 LEU H H 1793 7.851 7.262 0.589 1
1 302 . 13 1 1 A 30 30 LEU HA H 1793 4.507 4.388 0.119 1
1 312 . 13 1 1 A 30 30 LEU CA C 1793 53.558 53.132 0.426 1
1 313 . 13 1 1 A 30 30 LEU CB C 1793 42.270 43.132 -0.862 1
1 317 . 13 1 1 A 30 30 LEU N N 1793 125.656 123.821 1.835 1
1 318 . 13 1 1 A 31 31 PRO HA H 1794 4.363 4.265 0.098 1
1 325 . 13 1 1 A 31 31 PRO CA C 1794 64.787 65.232 -0.445 1
1 326 . 13 1 1 A 31 31 PRO CB C 1794 32.708 31.842 0.866 1
1 329 . 13 1 1 A 32 32 SER H H 1795 8.625 8.222 0.403 1
1 330 . 13 1 1 A 32 32 SER HA H 1795 4.309 4.158 0.151 1
1 332 . 13 1 1 A 32 32 SER CA C 1795 60.124 61.575 -1.451 1
1 333 . 13 1 1 A 32 32 SER CB C 1795 62.982 62.798 0.184 1
1 334 . 13 1 1 A 32 32 SER N N 1795 112.707 112.598 0.109 1
1 335 . 13 1 1 A 33 33 CYS H H 1796 6.679 8.067 -1.388 1
1 336 . 13 1 1 A 33 33 CYS HA H 1796 4.108 4.000 0.108 1
1 339 . 13 1 1 A 33 33 CYS CA C 1796 62.669 62.692 -0.023 1
1 340 . 13 1 1 A 33 33 CYS CB C 1796 30.495 26.578 3.917 1
1 341 . 13 1 1 A 33 33 CYS N N 1796 126.200 120.920 5.280 1
1 342 . 13 1 1 A 34 34 GLN H H 1797 7.870 8.375 -0.505 1
1 343 . 13 1 1 A 34 34 GLN HA H 1797 3.867 3.891 -0.024 1
1 350 . 13 1 1 A 34 34 GLN CA C 1797 59.140 59.494 -0.354 1
1 351 . 13 1 1 A 34 34 GLN CB C 1797 31.360 28.440 2.920 1
1 353 . 13 1 1 A 34 34 GLN N N 1797 115.529 119.775 -4.246 1
1 355 . 13 1 1 A 35 35 LYS H H 1798 8.340 7.995 0.345 1
1 356 . 13 1 1 A 35 35 LYS HA H 1798 4.240 4.011 0.229 1
1 365 . 13 1 1 A 35 35 LYS CA C 1798 58.904 59.282 -0.378 1
1 366 . 13 1 1 A 35 35 LYS CB C 1798 32.686 32.415 0.271 1
1 370 . 13 1 1 A 35 35 LYS N N 1798 117.144 119.567 -2.423 1
1 371 . 13 1 1 A 36 36 MET H H 1799 8.163 8.069 0.094 1
1 372 . 13 1 1 A 36 36 MET HA H 1799 4.369 4.104 0.265 1
1 380 . 13 1 1 A 36 36 MET CA C 1799 56.474 58.604 -2.130 1
1 381 . 13 1 1 A 36 36 MET CB C 1799 31.110 32.049 -0.939 1
1 384 . 13 1 1 A 36 36 MET N N 1799 117.485 118.783 -1.298 1
1 385 . 13 1 1 A 37 37 LYS H H 1800 9.337 8.348 0.989 1
1 386 . 13 1 1 A 37 37 LYS HA H 1800 3.840 3.960 -0.120 1
1 395 . 13 1 1 A 37 37 LYS CA C 1800 61.200 59.933 1.267 1
1 396 . 13 1 1 A 37 37 LYS CB C 1800 32.691 32.204 0.487 1
1 400 . 13 1 1 A 37 37 LYS N N 1800 120.830 119.192 1.638 1
1 401 . 13 1 1 A 38 38 ARG H H 1801 7.399 7.433 -0.034 1
1 402 . 13 1 1 A 38 38 ARG HA H 1801 4.490 4.035 0.455 1
1 409 . 13 1 1 A 38 38 ARG CA C 1801 59.263 59.453 -0.190 1
1 410 . 13 1 1 A 38 38 ARG CB C 1801 31.179 30.050 1.129 1
1 413 . 13 1 1 A 38 38 ARG N N 1801 118.965 119.355 -0.390 1
1 414 . 13 1 1 A 39 39 VAL H H 1802 8.420 7.600 0.820 1
1 415 . 13 1 1 A 39 39 VAL HA H 1802 3.239 3.832 -0.593 1
1 423 . 13 1 1 A 39 39 VAL CA C 1802 67.140 65.655 1.485 1
1 424 . 13 1 1 A 39 39 VAL CB C 1802 31.685 31.465 0.220 1
1 427 . 13 1 1 A 39 39 VAL N N 1802 123.140 115.912 7.228 1
1 428 . 13 1 1 A 40 40 VAL H H 1803 8.195 8.218 -0.023 1
1 429 . 13 1 1 A 40 40 VAL HA H 1803 3.403 3.620 -0.217 1
1 437 . 13 1 1 A 40 40 VAL CA C 1803 66.905 66.614 0.291 1
1 438 . 13 1 1 A 40 40 VAL CB C 1803 31.907 31.330 0.577 1
1 441 . 13 1 1 A 40 40 VAL N N 1803 118.716 121.292 -2.576 1
1 442 . 13 1 1 A 41 41 GLN H H 1804 8.310 8.311 -0.001 1
1 443 . 13 1 1 A 41 41 GLN HA H 1804 3.916 4.085 -0.169 1
1 450 . 13 1 1 A 41 41 GLN CA C 1804 58.591 58.582 0.009 1
1 451 . 13 1 1 A 41 41 GLN CB C 1804 28.561 28.896 -0.335 1
1 453 . 13 1 1 A 41 41 GLN N N 1804 119.193 118.515 0.678 1
1 455 . 13 1 1 A 42 42 HIS H H 1805 8.152 7.758 0.394 1
1 456 . 13 1 1 A 42 42 HIS HA H 1805 4.222 4.315 -0.093 1
1 461 . 13 1 1 A 42 42 HIS CA C 1805 59.139 59.370 -0.231 1
1 462 . 13 1 1 A 42 42 HIS CB C 1805 27.201 30.287 -3.086 1
1 465 . 13 1 1 A 42 42 HIS N N 1805 118.579 122.061 -3.482 1
1 466 . 13 1 1 A 43 43 THR H H 1806 7.997 8.416 -0.419 1
1 467 . 13 1 1 A 43 43 THR HA H 1806 3.888 4.059 -0.171 1
1 473 . 13 1 1 A 43 43 THR CA C 1806 65.728 65.414 0.314 1
1 474 . 13 1 1 A 43 43 THR CB C 1806 69.023 68.995 0.028 1
1 476 . 13 1 1 A 43 43 THR N N 1806 113.599 113.807 -0.208 1
1 477 . 13 1 1 A 44 44 LYS H H 1807 7.381 8.586 -1.205 1
1 478 . 13 1 1 A 44 44 LYS HA H 1807 4.190 4.206 -0.016 1
1 487 . 13 1 1 A 44 44 LYS CA C 1807 58.668 58.153 0.515 1
1 488 . 13 1 1 A 44 44 LYS CB C 1807 32.731 31.409 1.322 1
1 492 . 13 1 1 A 44 44 LYS N N 1807 120.270 119.572 0.698 1
1 493 . 13 1 1 A 45 45 GLY H H 1808 7.610 7.922 -0.312 1
1 494 . 13 1 1 A 45 45 GLY HA2 H 1808 3.610 4.042 -0.432 1
1 495 . 13 1 1 A 45 45 GLY HA3 H 1808 4.380 4.064 0.316 1
1 496 . 13 1 1 A 45 45 GLY CA C 1808 44.851 45.320 -0.469 1
1 497 . 13 1 1 A 45 45 GLY N N 1808 125.480 107.087 18.393 1
1 498 . 13 1 1 A 46 46 CYS H H 1809 6.898 7.522 -0.624 1
1 499 . 13 1 1 A 46 46 CYS HA H 1809 3.957 4.175 -0.218 1
1 502 . 13 1 1 A 46 46 CYS CA C 1809 60.551 59.456 1.095 1
1 503 . 13 1 1 A 46 46 CYS CB C 1809 30.260 28.776 1.484 1
1 504 . 13 1 1 A 46 46 CYS N N 1809 123.457 120.002 3.455 1
1 505 . 13 1 1 A 47 47 LYS HA H 1810 4.471 4.204 0.267 1
1 514 . 13 1 1 A 47 47 LYS CA C 1810 56.800 57.947 -1.147 1
1 515 . 13 1 1 A 47 47 LYS CB C 1810 33.840 32.147 1.693 1
1 518 . 13 1 1 A 48 48 ARG H H 1811 8.575 7.398 1.177 1
1 519 . 13 1 1 A 48 48 ARG HA H 1811 4.366 4.533 -0.167 1
1 526 . 13 1 1 A 48 48 ARG CA C 1811 57.256 56.382 0.874 1
1 527 . 13 1 1 A 48 48 ARG CB C 1811 32.143 32.498 -0.355 1
1 530 . 13 1 1 A 48 48 ARG N N 1811 122.731 114.690 8.041 1
1 531 . 13 1 1 A 49 49 LYS H H 1812 8.663 7.668 0.995 1
1 532 . 13 1 1 A 49 49 LYS HA H 1812 4.521 4.107 0.414 1
1 539 . 13 1 1 A 49 49 LYS CA C 1812 57.256 58.266 -1.010 1
1 540 . 13 1 1 A 49 49 LYS CB C 1812 32.378 30.975 1.403 1
1 543 . 13 1 1 A 49 49 LYS N N 1812 118.409 116.144 2.265 1
1 544 . 13 1 1 A 50 50 THR HA H 1813 4.710 3.930 0.780 1
1 549 . 13 1 1 A 50 50 THR CA C 1813 63.846 65.557 -1.711 1
1 550 . 13 1 1 A 50 50 THR CB C 1813 68.317 68.094 0.223 1
1 552 . 13 1 1 A 51 51 ASN HA H 1814 4.676 4.361 0.315 1
1 557 . 13 1 1 A 51 51 ASN CA C 1814 82.908 56.326 26.582 1
1 558 . 13 1 1 A 51 51 ASN CB C 1814 38.732 38.421 0.311 1
1 560 . 13 1 1 A 52 52 GLY H H 1815 7.879 7.819 0.060 1
1 561 . 13 1 1 A 52 52 GLY HA2 H 1815 4.300 3.933 0.367 1
1 562 . 13 1 1 A 52 52 GLY HA3 H 1815 3.831 3.937 -0.106 1
1 563 . 13 1 1 A 52 52 GLY CA C 1815 45.557 45.273 0.284 1
1 564 . 13 1 1 A 52 52 GLY N N 1815 129.890 105.996 23.894 1
1 565 . 13 1 1 A 53 53 GLY H H 1816 7.765 7.635 0.130 1
1 566 . 13 1 1 A 53 53 GLY HA2 H 1816 3.885 3.938 -0.053 1
1 567 . 13 1 1 A 53 53 GLY HA3 H 1816 3.985 3.941 0.044 1
1 568 . 13 1 1 A 53 53 GLY CA C 1816 45.792 45.531 0.261 1
1 569 . 13 1 1 A 53 53 GLY N N 1816 128.949 107.903 21.046 1
1 570 . 13 1 1 A 54 54 CYS H H 1817 8.800 8.089 0.711 1
1 571 . 13 1 1 A 54 54 CYS HA H 1817 4.821 4.589 0.232 1
1 574 . 13 1 1 A 54 54 CYS CA C 1817 55.138 57.437 -2.299 1
1 575 . 13 1 1 A 54 54 CYS CB C 1817 30.966 29.000 1.966 1
1 576 . 13 1 1 A 54 54 CYS N N 1817 122.429 119.356 3.073 1
1 577 . 13 1 1 A 55 55 PRO HA H 1818 4.330 4.305 0.025 1
1 584 . 13 1 1 A 55 55 PRO CA C 1818 64.787 65.460 -0.673 1
1 585 . 13 1 1 A 55 55 PRO CB C 1818 32.613 31.846 0.767 1
1 588 . 13 1 1 A 56 56 VAL H H 1819 7.750 7.368 0.382 1
1 589 . 13 1 1 A 56 56 VAL HA H 1819 3.884 3.619 0.265 1
1 597 . 13 1 1 A 56 56 VAL CA C 1819 65.728 66.130 -0.402 1
1 598 . 13 1 1 A 56 56 VAL CB C 1819 32.849 31.102 1.747 1
1 601 . 13 1 1 A 56 56 VAL N N 1819 121.605 115.477 6.128 1
1 602 . 13 1 1 A 57 57 CYS H H 1820 8.884 8.079 0.805 1
1 603 . 13 1 1 A 57 57 CYS HA H 1820 4.106 3.935 0.171 1
1 606 . 13 1 1 A 57 57 CYS CA C 1820 65.728 63.862 1.866 1
1 607 . 13 1 1 A 57 57 CYS CB C 1820 30.250 26.882 3.368 1
1 608 . 13 1 1 A 57 57 CYS N N 1820 124.260 117.616 6.644 1
1 609 . 13 1 1 A 58 58 LYS H H 1821 8.133 8.227 -0.094 1
1 610 . 13 1 1 A 58 58 LYS HA H 1821 3.942 3.844 0.098 1
1 619 . 13 1 1 A 58 58 LYS CA C 1821 59.610 59.704 -0.094 1
1 620 . 13 1 1 A 58 58 LYS CB C 1821 32.849 32.320 0.529 1
1 624 . 13 1 1 A 58 58 LYS N N 1821 117.129 121.276 -4.147 1
1 625 . 13 1 1 A 59 59 GLN H H 1822 7.318 7.879 -0.561 1
1 626 . 13 1 1 A 59 59 GLN HA H 1822 4.357 3.989 0.368 1
1 632 . 13 1 1 A 59 59 GLN N N 1822 117.943 119.000 -1.057 1
1 633 . 13 1 1 A 60 60 LEU H H 1823 8.667 7.802 0.865 1
1 634 . 13 1 1 A 60 60 LEU HA H 1823 4.950 4.039 0.911 1
1 647 . 13 1 1 A 60 60 LEU N N 1823 120.670 119.624 1.046 1
1 648 . 13 1 1 A 61 61 ILE H H 1824 8.780 8.220 0.560 1
1 649 . 13 1 1 A 61 61 ILE HA H 1824 3.614 3.483 0.131 1
1 659 . 13 1 1 A 61 61 ILE CA C 1824 64.787 65.410 -0.623 1
1 660 . 13 1 1 A 61 61 ILE CB C 1824 37.320 37.357 -0.037 1
1 664 . 13 1 1 A 61 61 ILE N N 1824 119.837 119.681 0.156 1
1 665 . 13 1 1 A 62 62 ALA H H 1825 7.675 8.403 -0.728 1
1 666 . 13 1 1 A 62 62 ALA HA H 1825 4.112 4.068 0.044 1
1 670 . 13 1 1 A 62 62 ALA CA C 1825 55.374 55.397 -0.023 1
1 671 . 13 1 1 A 62 62 ALA CB C 1825 18.560 18.469 0.091 1
1 672 . 13 1 1 A 62 62 ALA N N 1825 122.779 122.377 0.402 1
1 673 . 13 1 1 A 63 63 LEU H H 1826 7.983 8.170 -0.187 1
1 674 . 13 1 1 A 63 63 LEU HA H 1826 4.114 4.002 0.112 1
1 684 . 13 1 1 A 63 63 LEU CA C 1826 58.334 57.949 0.385 1
1 685 . 13 1 1 A 63 63 LEU CB C 1826 42.821 41.277 1.544 1
1 689 . 13 1 1 A 63 63 LEU N N 1826 118.291 117.610 0.681 1
1 690 . 13 1 1 A 64 64 CYS H H 1827 8.663 8.458 0.205 1
1 691 . 13 1 1 A 64 64 CYS HA H 1827 4.350 4.120 0.230 1
1 694 . 13 1 1 A 64 64 CYS CA C 1827 64.800 62.839 1.961 1
1 695 . 13 1 1 A 64 64 CYS CB C 1827 26.495 27.086 -0.591 1
1 696 . 13 1 1 A 64 64 CYS N N 1827 118.409 118.331 0.078 1
1 697 . 13 1 1 A 65 65 CYS H H 1828 8.672 8.795 -0.123 1
1 698 . 13 1 1 A 65 65 CYS HA H 1828 4.152 4.026 0.126 1
1 701 . 13 1 1 A 65 65 CYS CA C 1828 63.547 63.855 -0.308 1
1 702 . 13 1 1 A 65 65 CYS CB C 1828 26.495 25.472 1.023 1
1 703 . 13 1 1 A 65 65 CYS N N 1828 118.996 119.952 -0.956 1
1 704 . 13 1 1 A 66 66 TYR H H 1829 7.837 8.382 -0.545 1
1 705 . 13 1 1 A 66 66 TYR HA H 1829 4.199 4.217 -0.018 1
1 712 . 13 1 1 A 66 66 TYR CA C 1829 61.220 61.880 -0.660 1
1 713 . 13 1 1 A 66 66 TYR CB C 1829 38.261 38.614 -0.353 1
1 716 . 13 1 1 A 66 66 TYR N N 1829 120.650 122.216 -1.566 1
1 717 . 13 1 1 A 67 67 HIS H H 1830 8.323 8.523 -0.200 1
1 718 . 13 1 1 A 67 67 HIS HA H 1830 4.341 4.410 -0.069 1
1 723 . 13 1 1 A 67 67 HIS CA C 1830 58.668 60.420 -1.752 1
1 724 . 13 1 1 A 67 67 HIS CB C 1830 27.907 29.973 -2.066 1
1 727 . 13 1 1 A 67 67 HIS N N 1830 117.149 119.582 -2.433 1
1 728 . 13 1 1 A 68 68 ALA H H 1831 8.693 8.698 -0.005 1
1 729 . 13 1 1 A 68 68 ALA HA H 1831 4.250 4.045 0.205 1
1 733 . 13 1 1 A 68 68 ALA CA C 1831 55.205 55.337 -0.132 1
1 734 . 13 1 1 A 68 68 ALA CB C 1831 20.695 18.611 2.084 1
1 735 . 13 1 1 A 68 68 ALA N N 1831 121.519 120.874 0.645 1
1 736 . 13 1 1 A 69 69 LYS H H 1832 7.126 8.140 -1.014 1
1 737 . 13 1 1 A 69 69 LYS HA H 1832 3.737 4.045 -0.308 1
1 746 . 13 1 1 A 69 69 LYS CA C 1832 57.962 59.399 -1.437 1
1 747 . 13 1 1 A 69 69 LYS CB C 1832 32.613 31.675 0.938 1
1 751 . 13 1 1 A 69 69 LYS N N 1832 114.376 118.822 -4.446 1
1 752 . 13 1 1 A 70 70 HIS H H 1833 6.884 7.378 -0.494 1
1 753 . 13 1 1 A 70 70 HIS HA H 1833 4.711 4.360 0.351 1
1 758 . 13 1 1 A 70 70 HIS CA C 1833 54.970 57.957 -2.987 1
1 759 . 13 1 1 A 70 70 HIS CB C 1833 31.201 30.795 0.406 1
1 762 . 13 1 1 A 70 70 HIS N N 1833 113.369 114.475 -1.106 1
1 763 . 13 1 1 A 71 71 CYS H H 1834 6.969 7.571 -0.602 1
1 764 . 13 1 1 A 71 71 CYS HA H 1834 4.210 4.245 -0.035 1
1 767 . 13 1 1 A 71 71 CYS CA C 1834 60.800 59.993 0.807 1
1 768 . 13 1 1 A 71 71 CYS CB C 1834 30.250 27.950 2.300 1
1 769 . 13 1 1 A 71 71 CYS N N 1834 123.813 117.732 6.081 1
1 770 . 13 1 1 A 72 72 GLN H H 1835 9.101 8.721 0.380 1
1 771 . 13 1 1 A 72 72 GLN HA H 1835 4.646 4.576 0.070 1
1 778 . 13 1 1 A 72 72 GLN CA C 1835 54.735 55.516 -0.781 1
1 779 . 13 1 1 A 72 72 GLN CB C 1835 29.319 30.273 -0.954 1
1 781 . 13 1 1 A 72 72 GLN N N 1835 128.430 122.665 5.765 1
1 783 . 13 1 1 A 73 73 GLU H H 1836 8.331 7.386 0.945 1
1 784 . 13 1 1 A 73 73 GLU HA H 1836 4.365 4.285 0.080 1
1 788 . 13 1 1 A 73 73 GLU CA C 1836 55.374 56.757 -1.383 1
1 789 . 13 1 1 A 73 73 GLU CB C 1836 30.731 30.976 -0.245 1
1 791 . 13 1 1 A 73 73 GLU N N 1836 123.251 123.012 0.239 1
1 792 . 13 1 1 A 74 74 ASN HA H 1837 4.512 4.447 0.065 1
1 797 . 13 1 1 A 74 74 ASN CA C 1837 54.970 55.689 -0.719 1
1 798 . 13 1 1 A 74 74 ASN CB C 1837 38.732 38.305 0.427 1
1 800 . 13 1 1 A 75 75 LYS H H 1838 8.779 7.794 0.985 1
1 801 . 13 1 1 A 75 75 LYS HA H 1838 4.424 4.622 -0.198 1
1 810 . 13 1 1 A 75 75 LYS CA C 1838 54.735 55.012 -0.277 1
1 811 . 13 1 1 A 75 75 LYS CB C 1838 30.966 32.977 -2.011 1
1 815 . 13 1 1 A 75 75 LYS N N 1838 121.350 115.843 5.507 1
1 816 . 13 1 1 A 76 76 CYS H H 1839 7.590 7.327 0.263 1
1 817 . 13 1 1 A 76 76 CYS HA H 1839 4.361 4.320 0.041 1
1 820 . 13 1 1 A 76 76 CYS CA C 1839 57.256 57.869 -0.613 1
1 821 . 13 1 1 A 76 76 CYS CB C 1839 30.731 28.460 2.271 1
1 822 . 13 1 1 A 76 76 CYS N N 1839 124.209 121.184 3.025 1
1 823 . 13 1 1 A 77 77 PRO HA H 1840 4.651 4.396 0.255 1
1 830 . 13 1 1 A 77 77 PRO CA C 1840 62.669 64.312 -1.643 1
1 831 . 13 1 1 A 77 77 PRO CB C 1840 32.849 31.932 0.917 1
1 834 . 13 1 1 A 78 78 VAL H H 1841 8.962 7.751 1.211 1
1 835 . 13 1 1 A 78 78 VAL HA H 1841 4.199 4.174 0.025 1
1 843 . 13 1 1 A 78 78 VAL CA C 1841 61.257 60.942 0.315 1
1 844 . 13 1 1 A 78 78 VAL CB C 1841 31.672 31.955 -0.283 1
1 847 . 13 1 1 A 78 78 VAL N N 1841 128.606 119.520 9.086 1
1 848 . 13 1 1 A 79 79 PRO HA H 1842 3.936 4.251 -0.315 1
1 855 . 13 1 1 A 79 79 PRO CA C 1842 63.846 65.717 -1.871 1
1 856 . 13 1 1 A 79 79 PRO CB C 1842 30.731 31.410 -0.679 1
1 859 . 13 1 1 A 80 80 PHE HA H 1843 4.255 4.285 -0.030 1
1 866 . 13 1 1 A 80 80 PHE CA C 1843 59.374 60.272 -0.898 1
1 867 . 13 1 1 A 80 80 PHE CB C 1843 37.791 38.249 -0.458 1
1 870 . 13 1 1 A 81 81 CYS H H 1844 7.660 8.353 -0.693 1
1 871 . 13 1 1 A 81 81 CYS HA H 1844 3.997 4.178 -0.181 1
1 874 . 13 1 1 A 81 81 CYS CA C 1844 64.552 62.520 2.032 1
1 875 . 13 1 1 A 81 81 CYS CB C 1844 30.495 26.743 3.752 1
1 876 . 13 1 1 A 81 81 CYS N N 1844 124.104 118.794 5.310 1
1 877 . 13 1 1 A 82 82 LEU H H 1845 8.170 8.309 -0.139 1
1 878 . 13 1 1 A 82 82 LEU HA H 1845 3.988 3.972 0.016 1
1 888 . 13 1 1 A 82 82 LEU CA C 1845 57.962 58.088 -0.126 1
1 889 . 13 1 1 A 82 82 LEU CB C 1845 41.321 41.338 -0.017 1
1 893 . 13 1 1 A 82 82 LEU N N 1845 115.950 120.950 -5.000 1
1 894 . 13 1 1 A 83 83 ASN H H 1846 7.826 8.353 -0.527 1
1 895 . 13 1 1 A 83 83 ASN HA H 1846 4.447 4.459 -0.012 1
1 900 . 13 1 1 A 83 83 ASN CA C 1846 56.800 56.998 -0.198 1
1 901 . 13 1 1 A 83 83 ASN CB C 1846 38.967 39.072 -0.105 1
1 902 . 13 1 1 A 83 83 ASN N N 1846 116.117 118.139 -2.022 1
1 904 . 13 1 1 A 84 84 ILE H H 1847 8.607 8.142 0.465 1
1 905 . 13 1 1 A 84 84 ILE HA H 1847 3.718 3.606 0.112 1
1 915 . 13 1 1 A 84 84 ILE CA C 1847 64.787 65.503 -0.716 1
1 916 . 13 1 1 A 84 84 ILE CB C 1847 38.497 38.037 0.460 1
1 920 . 13 1 1 A 84 84 ILE N N 1847 121.553 119.592 1.961 1
1 921 . 13 1 1 A 85 85 LYS H H 1848 8.855 8.167 0.688 1
1 922 . 13 1 1 A 85 85 LYS HA H 1848 3.859 3.942 -0.083 1
1 931 . 13 1 1 A 85 85 LYS CA C 1848 60.551 59.204 1.347 1
1 932 . 13 1 1 A 85 85 LYS CB C 1848 32.613 32.355 0.258 1
1 936 . 13 1 1 A 85 85 LYS N N 1848 119.992 119.159 0.833 1
1 937 . 13 1 1 A 86 86 HIS H H 1849 8.100 8.269 -0.169 1
1 938 . 13 1 1 A 86 86 HIS HA H 1849 4.411 4.255 0.156 1
1 943 . 13 1 1 A 86 86 HIS CA C 1849 58.433 60.138 -1.705 1
1 944 . 13 1 1 A 86 86 HIS CB C 1849 30.495 29.632 0.863 1
1 947 . 13 1 1 A 86 86 HIS N N 1849 117.237 119.906 -2.669 1
1 948 . 13 1 1 A 87 87 LYS H H 1850 7.685 8.278 -0.593 1
1 949 . 13 1 1 A 87 87 LYS HA H 1850 4.128 3.878 0.250 1
1 958 . 13 1 1 A 87 87 LYS CA C 1850 57.727 59.390 -1.663 1
1 959 . 13 1 1 A 87 87 LYS CB C 1850 32.378 32.697 -0.319 1
1 963 . 13 1 1 A 87 87 LYS N N 1850 119.118 118.120 0.998 1
1 964 . 13 1 1 A 88 88 LEU H H 1851 8.230 8.545 -0.315 1
1 965 . 13 1 1 A 88 88 LEU HA H 1851 4.174 3.935 0.239 1
1 975 . 13 1 1 A 88 88 LEU CA C 1851 56.800 57.994 -1.194 1
1 976 . 13 1 1 A 88 88 LEU CB C 1851 42.262 41.804 0.458 1
1 980 . 13 1 1 A 88 88 LEU N N 1851 119.305 120.117 -0.812 1
1 981 . 13 1 1 A 89 89 ARG H H 1852 7.765 8.064 -0.299 1
1 982 . 13 1 1 A 89 89 ARG HA H 1852 4.245 4.192 0.053 1
1 989 . 13 1 1 A 89 89 ARG CA C 1852 56.550 58.590 -2.040 1
1 990 . 13 1 1 A 89 89 ARG CB C 1852 30.260 29.836 0.424 1
1 993 . 13 1 1 A 89 89 ARG N N 1852 118.302 119.327 -1.025 1
1 994 . 13 1 1 A 90 90 GLN H H 1853 7.851 7.563 0.288 1
1 995 . 13 1 1 A 90 90 GLN HA H 1853 4.262 4.275 -0.013 1
1 1002 . 13 1 1 A 90 90 GLN CA C 1853 55.609 56.483 -0.874 1
1 1003 . 13 1 1 A 90 90 GLN CB C 1853 29.554 29.019 0.535 1
1 1005 . 13 1 1 A 90 90 GLN N N 1853 119.450 116.330 3.120 1
1 1007 . 13 1 1 A 91 91 GLN H H 1854 8.710 7.235 1.475 1
1 1008 . 13 1 1 A 91 91 GLN HA H 1854 4.317 4.641 -0.324 1
1 1015 . 13 1 1 A 91 91 GLN CA C 1854 55.609 53.736 1.873 1
1 1016 . 13 1 1 A 91 91 GLN CB C 1854 29.554 31.255 -1.701 1
1 1018 . 13 1 1 A 91 91 GLN N N 1854 120.675 115.449 5.226 1
1 1038 . 13 2 2 B 2 2 HIS HA H 51 4.636 4.455 0.181 1
1 1043 . 13 2 2 B 2 2 HIS CA C 51 55.844 57.945 -2.101 1
1 1044 . 13 2 2 B 2 2 HIS CB C 51 30.495 29.794 0.701 1
1 1047 . 13 2 2 B 3 3 MET H H 52 8.230 7.736 0.494 1
1 1048 . 13 2 2 B 3 3 MET HA H 52 4.430 4.917 -0.487 1
1 1053 . 13 2 2 B 3 3 MET CA C 52 54.903 53.816 1.087 1
1 1054 . 13 2 2 B 3 3 MET CB C 52 33.840 35.275 -1.435 1
1 1056 . 13 2 2 B 3 3 MET N N 52 121.881 114.237 7.644 1
1 1057 . 13 2 2 B 4 4 ALA H H 53 8.269 8.655 -0.386 1
1 1058 . 13 2 2 B 4 4 ALA HA H 53 4.586 4.464 0.122 1
1 1062 . 13 2 2 B 4 4 ALA CA C 53 51.255 50.714 0.541 1
1 1063 . 13 2 2 B 4 4 ALA CB C 53 18.796 18.069 0.727 1
1 1064 . 13 2 2 B 4 4 ALA N N 53 126.758 123.849 2.909 1
1 1065 . 13 2 2 B 5 5 PRO HA H 54 4.705 4.414 0.291 1
1 1072 . 13 2 2 B 5 5 PRO CA C 54 61.257 65.129 -3.872 1
1 1073 . 13 2 2 B 5 5 PRO CB C 54 30.966 31.910 -0.944 1
1 1076 . 13 2 2 B 6 6 GLU H H 55 8.468 7.559 0.909 1
1 1077 . 13 2 2 B 6 6 GLU HA H 55 4.150 4.643 -0.493 1
1 1082 . 13 2 2 B 6 6 GLU CA C 55 56.550 55.683 0.867 1
1 1083 . 13 2 2 B 6 6 GLU CB C 55 30.495 31.774 -1.279 1
1 1085 . 13 2 2 B 6 6 GLU N N 55 121.693 112.488 9.205 1
1 1086 . 13 2 2 B 7 7 ASP H H 56 8.574 8.826 -0.252 1
1 1087 . 13 2 2 B 7 7 ASP HA H 56 5.200 5.048 0.152 1
1 1090 . 13 2 2 B 7 7 ASP CA C 56 51.255 50.770 0.485 1
1 1091 . 13 2 2 B 7 7 ASP CB C 56 42.262 42.695 -0.433 1
1 1092 . 13 2 2 B 7 7 ASP N N 56 120.873 120.368 0.505 1
1 1093 . 13 2 2 B 8 8 PRO HA H 57 4.465 4.351 0.114 1
1 1100 . 13 2 2 B 8 8 PRO CA C 57 63.610 65.356 -1.746 1
1 1101 . 13 2 2 B 8 8 PRO CB C 57 32.378 31.941 0.437 1
1 1104 . 13 2 2 B 9 9 ASN H H 58 8.301 8.466 -0.165 1
1 1105 . 13 2 2 B 9 9 ASN HA H 58 4.809 4.479 0.330 1
1 1110 . 13 2 2 B 9 9 ASN CA C 58 53.558 55.427 -1.869 1
1 1111 . 13 2 2 B 9 9 ASN CB C 58 38.497 37.768 0.729 1
1 1112 . 13 2 2 B 9 9 ASN N N 58 117.190 115.197 1.993 1
1 1114 . 13 2 2 B 10 10 GLU H H 59 7.366 8.534 -1.168 1
1 1115 . 13 2 2 B 10 10 GLU HA H 59 3.641 4.003 -0.362 1
1 1120 . 13 2 2 B 10 10 GLU CA C 59 60.800 59.182 1.618 1
1 1121 . 13 2 2 B 10 10 GLU CB C 59 29.554 28.799 0.755 1
1 1123 . 13 2 2 B 10 10 GLU N N 59 122.354 118.369 3.985 1
1 1124 . 13 2 2 B 11 11 GLU H H 60 8.618 8.303 0.315 1
1 1125 . 13 2 2 B 11 11 GLU HA H 60 3.933 4.003 -0.070 1
1 1130 . 13 2 2 B 11 11 GLU CA C 60 59.139 59.235 -0.096 1
1 1131 . 13 2 2 B 11 11 GLU CB C 60 29.830 29.211 0.619 1
1 1133 . 13 2 2 B 11 11 GLU N N 60 120.391 120.137 0.254 1
1 1134 . 13 2 2 B 12 12 ALA H H 61 8.280 7.660 0.620 1
1 1135 . 13 2 2 B 12 12 ALA HA H 61 4.180 4.042 0.138 1
1 1139 . 13 2 2 B 12 12 ALA CA C 61 55.205 54.444 0.761 1
1 1140 . 13 2 2 B 12 12 ALA CB C 61 20.695 18.116 2.579 1
1 1141 . 13 2 2 B 12 12 ALA N N 61 122.378 121.203 1.175 1
1 1142 . 13 2 2 B 13 13 VAL H H 62 7.773 7.440 0.333 1
1 1143 . 13 2 2 B 13 13 VAL HA H 62 3.974 3.459 0.515 1
1 1151 . 13 2 2 B 13 13 VAL CA C 62 66.199 66.202 -0.003 1
1 1152 . 13 2 2 B 13 13 VAL CB C 62 31.907 31.407 0.500 1
1 1155 . 13 2 2 B 13 13 VAL N N 62 116.653 118.907 -2.254 1
1 1156 . 13 2 2 B 14 14 SER H H 63 8.288 7.900 0.388 1
1 1157 . 13 2 2 B 14 14 SER HA H 63 4.620 3.904 0.716 1
1 1160 . 13 2 2 B 14 14 SER CA C 63 60.786 61.929 -1.143 1
1 1161 . 13 2 2 B 14 14 SER CB C 63 62.434 62.815 -0.381 1
1 1162 . 13 2 2 B 14 14 SER N N 63 115.328 115.710 -0.382 1
1 1163 . 13 2 2 B 15 15 GLN H H 64 7.775 7.870 -0.095 1
1 1164 . 13 2 2 B 15 15 GLN HA H 64 4.190 4.050 0.140 1
1 1171 . 13 2 2 B 15 15 GLN CA C 64 57.492 58.242 -0.750 1
1 1172 . 13 2 2 B 15 15 GLN CB C 64 28.613 27.431 1.182 1
1 1174 . 13 2 2 B 15 15 GLN N N 64 119.350 118.259 1.091 1
1 1176 . 13 2 2 B 16 16 ILE H H 65 7.217 7.520 -0.303 1
1 1177 . 13 2 2 B 16 16 ILE HA H 65 3.788 4.020 -0.232 1
1 1186 . 13 2 2 B 16 16 ILE CA C 65 61.492 63.387 -1.895 1
1 1187 . 13 2 2 B 16 16 ILE CB C 65 37.320 39.220 -1.900 1
1 1191 . 13 2 2 B 16 16 ILE N N 65 117.427 118.603 -1.176 1
1 1192 . 13 2 2 B 17 17 PHE H H 66 8.370 7.821 0.549 1
1 1193 . 13 2 2 B 17 17 PHE HA H 66 4.407 4.931 -0.524 1
1 1200 . 13 2 2 B 17 17 PHE CA C 66 55.374 55.659 -0.285 1
1 1201 . 13 2 2 B 17 17 PHE CB C 66 42.270 41.142 1.128 1
1 1205 . 13 2 2 B 17 17 PHE N N 66 117.389 115.187 2.202 1
1 1206 . 13 2 2 B 18 18 PRO HA H 67 4.784 4.699 0.085 1
1 1213 . 13 2 2 B 18 18 PRO CA C 67 62.669 62.295 0.374 1
1 1214 . 13 2 2 B 18 18 PRO CB C 67 32.378 33.209 -0.831 1
1 1217 . 13 2 2 B 19 19 ASP H H 68 9.127 9.033 0.094 1
1 1218 . 13 2 2 B 19 19 ASP HA H 68 4.261 4.436 -0.175 1
1 1221 . 13 2 2 B 19 19 ASP CA C 68 57.927 56.749 1.178 1
1 1222 . 13 2 2 B 19 19 ASP CB C 68 40.451 40.518 -0.067 1
1 1223 . 13 2 2 B 19 19 ASP N N 68 123.618 123.127 0.491 1
1 1224 . 13 2 2 B 20 20 SER H H 69 8.624 7.820 0.804 1
1 1225 . 13 2 2 B 20 20 SER HA H 69 4.816 4.342 0.474 1
1 1226 . 13 2 2 B 20 20 SER N N 69 112.914 111.724 1.190 1
1 1227 . 13 2 2 B 21 21 VAL H H 70 7.380 7.671 -0.291 1
1 1228 . 13 2 2 B 21 21 VAL HA H 70 3.958 4.721 -0.763 1
1 1236 . 13 2 2 B 21 21 VAL CA C 70 64.316 58.763 5.553 1
1 1237 . 13 2 2 B 21 21 VAL CB C 70 32.378 35.545 -3.167 1
1 1240 . 13 2 2 B 21 21 VAL N N 70 123.280 116.919 6.361 1
1 1241 . 13 2 2 B 22 22 MET H H 71 7.638 8.944 -1.306 1
1 1242 . 13 2 2 B 22 22 MET HA H 71 4.266 4.606 -0.340 1
1 1248 . 13 2 2 B 22 22 MET CA C 71 55.844 54.551 1.293 1
1 1249 . 13 2 2 B 22 22 MET CB C 71 31.907 30.569 1.338 1
1 1251 . 13 2 2 B 22 22 MET N N 71 117.825 122.384 -4.559 1
1 1252 . 13 2 2 B 23 23 LEU H H 72 8.102 7.859 0.243 1
1 1253 . 13 2 2 B 23 23 LEU HA H 72 4.132 4.059 0.073 1
1 1263 . 13 2 2 B 23 23 LEU CA C 72 56.786 57.688 -0.902 1
1 1264 . 13 2 2 B 23 23 LEU CB C 72 42.270 41.946 0.324 1
1 1268 . 13 2 2 B 23 23 LEU N N 72 119.633 123.167 -3.534 1
1 1269 . 13 2 2 B 24 24 ALA H H 73 7.464 8.236 -0.772 1
1 1270 . 13 2 2 B 24 24 ALA HA H 73 4.197 4.018 0.179 1
1 1274 . 13 2 2 B 24 24 ALA CA C 73 84.840 55.024 29.816 1
1 1275 . 13 2 2 B 24 24 ALA CB C 73 19.266 18.327 0.939 1
1 1276 . 13 2 2 B 24 24 ALA N N 73 120.682 121.426 -0.744 1
1 1277 . 13 2 2 B 25 25 VAL H H 74 7.668 7.727 -0.059 1
1 1278 . 13 2 2 B 25 25 VAL HA H 74 4.258 3.852 0.406 1
1 1286 . 13 2 2 B 25 25 VAL CA C 74 62.434 63.929 -1.495 1
1 1287 . 13 2 2 B 25 25 VAL CB C 74 31.672 31.621 0.051 1
1 1290 . 13 2 2 B 25 25 VAL N N 74 112.530 116.217 -3.687 1
1 1291 . 13 2 2 B 26 26 GLN H H 75 7.806 8.225 -0.419 1
1 1292 . 13 2 2 B 26 26 GLN HA H 75 4.308 4.603 -0.295 1
1 1299 . 13 2 2 B 26 26 GLN CA C 75 56.786 55.902 0.884 1
1 1300 . 13 2 2 B 26 26 GLN CB C 75 29.554 31.063 -1.509 1
1 1302 . 13 2 2 B 26 26 GLN N N 75 121.794 115.830 5.964 1
1 1304 . 13 2 2 B 27 27 GLU H H 76 8.340 7.974 0.366 1
1 1305 . 13 2 2 B 27 27 GLU HA H 76 4.349 4.347 0.002 1
1 1310 . 13 2 2 B 27 27 GLU CA C 76 56.315 56.592 -0.277 1
1 1311 . 13 2 2 B 27 27 GLU CB C 76 30.495 30.917 -0.422 1
1 1313 . 13 2 2 B 27 27 GLU N N 76 120.410 121.475 -1.065 1
1 1314 . 13 2 2 B 28 28 GLY H H 77 8.295 8.536 -0.241 1
1 1315 . 13 2 2 B 28 28 GLY HA2 H 77 3.938 4.328 -0.390 1
1 1316 . 13 2 2 B 28 28 GLY HA3 H 77 4.190 4.328 -0.138 1
1 1317 . 13 2 2 B 28 28 GLY CA C 77 45.792 43.808 1.984 1
1 1318 . 13 2 2 B 28 28 GLY N N 77 109.255 111.414 -2.159 1
1 1319 . 13 2 2 B 29 29 ILE H H 78 7.889 9.117 -1.228 1
1 1320 . 13 2 2 B 29 29 ILE HA H 78 4.166 4.720 -0.554 1
1 1330 . 13 2 2 B 29 29 ILE CA C 78 60.786 60.187 0.599 1
1 1331 . 13 2 2 B 29 29 ILE CB C 78 39.203 41.153 -1.950 1
1 1335 . 13 2 2 B 29 29 ILE N N 78 119.126 122.566 -3.440 1
1 1336 . 13 2 2 B 30 30 ASP H H 79 8.442 8.986 -0.544 1
1 1337 . 13 2 2 B 30 30 ASP HA H 79 4.577 4.741 -0.164 1
1 1340 . 13 2 2 B 30 30 ASP CA C 79 55.255 53.742 1.513 1
1 1341 . 13 2 2 B 30 30 ASP CB C 79 41.850 39.564 2.286 1
1 1342 . 13 2 2 B 30 30 ASP N N 79 123.665 128.272 -4.607 1
1 1343 . 13 2 2 B 31 31 LEU H H 80 8.141 7.744 0.397 1
1 1344 . 13 2 2 B 31 31 LEU HA H 80 4.292 4.067 0.225 1
1 1354 . 13 2 2 B 31 31 LEU CA C 80 55.205 57.786 -2.581 1
1 1355 . 13 2 2 B 31 31 LEU CB C 80 42.262 41.992 0.270 1
1 1359 . 13 2 2 B 31 31 LEU N N 80 122.359 122.534 -0.175 1
1 1360 . 13 2 2 B 32 32 LEU H H 81 8.840 8.271 0.569 1
1 1361 . 13 2 2 B 32 32 LEU HA H 81 4.256 4.371 -0.115 1
1 1371 . 13 2 2 B 32 32 LEU CA C 81 54.903 57.320 -2.417 1
1 1372 . 13 2 2 B 32 32 LEU CB C 81 42.497 41.380 1.117 1
1 1376 . 13 2 2 B 32 32 LEU N N 81 120.762 118.856 1.906 1
1 1377 . 13 2 2 B 33 33 THR H H 82 7.728 8.071 -0.343 1
1 1378 . 13 2 2 B 33 33 THR HA H 82 4.226 4.046 0.180 1
1 1383 . 13 2 2 B 33 33 THR CA C 82 61.220 64.174 -2.954 1
1 1384 . 13 2 2 B 33 33 THR CB C 82 69.494 68.710 0.784 1
1 1386 . 13 2 2 B 33 33 THR N N 82 113.606 113.074 0.532 1
1 1387 . 13 2 2 B 34 34 PHE H H 83 8.181 7.492 0.689 1
1 1388 . 13 2 2 B 34 34 PHE HA H 83 4.825 4.593 0.232 1
1 1395 . 13 2 2 B 34 34 PHE CA C 83 55.138 56.011 -0.873 1
1 1396 . 13 2 2 B 34 34 PHE CB C 83 39.203 38.776 0.427 1
1 1399 . 13 2 2 B 34 34 PHE N N 83 123.600 118.449 5.151 1
1 1400 . 13 2 2 B 35 35 PRO HA H 84 4.765 4.429 0.336 1
1 1407 . 13 2 2 B 35 35 PRO CA C 84 62.900 62.390 0.510 1
1 1408 . 13 2 2 B 35 35 PRO CB C 84 32.538 31.743 0.795 1
1 1411 . 13 2 2 B 36 36 PRO HA H 85 4.422 4.297 0.125 1
1 1418 . 13 2 2 B 36 36 PRO CA C 85 62.434 62.133 0.301 1
1 1419 . 13 2 2 B 36 36 PRO CB C 85 32.143 32.735 -0.592 1
1 1422 . 13 2 2 B 37 37 ALA H H 86 8.370 8.183 0.187 1
1 1423 . 13 2 2 B 37 37 ALA HA H 86 4.429 4.790 -0.361 1
1 1427 . 13 2 2 B 37 37 ALA CA C 86 50.263 49.948 0.315 1
1 1428 . 13 2 2 B 37 37 ALA CB C 86 19.972 22.226 -2.254 1
1 1429 . 13 2 2 B 37 37 ALA N N 86 125.277 121.724 3.553 1
1 1430 . 13 2 2 B 38 38 PRO HA H 87 4.388 4.400 -0.012 1
1 1437 . 13 2 2 B 38 38 PRO CA C 87 63.140 63.927 -0.787 1
1 1438 . 13 2 2 B 38 38 PRO CB C 87 32.143 31.759 0.384 1
1 1441 . 13 2 2 B 39 39 GLY H H 88 8.503 8.451 0.052 1
1 1442 . 13 2 2 B 39 39 GLY HA2 H 88 3.895 3.961 -0.066 1
1 1443 . 13 2 2 B 39 39 GLY HA3 H 88 3.981 3.967 0.014 1
1 1444 . 13 2 2 B 39 39 GLY CA C 88 74.671 45.667 29.004 1
1 1445 . 13 2 2 B 39 39 GLY N N 88 109.831 106.597 3.234 1
1 1446 . 13 2 2 B 40 40 SER H H 89 8.800 7.763 1.037 1
1 1447 . 13 2 2 B 40 40 SER HA H 89 4.748 4.496 0.252 1
1 1450 . 13 2 2 B 40 40 SER CA C 89 56.800 57.254 -0.454 1
1 1451 . 13 2 2 B 40 40 SER CB C 89 63.140 62.656 0.484 1
1 1452 . 13 2 2 B 40 40 SER N N 89 116.937 116.985 -0.048 1
1 1453 . 13 2 2 B 41 41 PRO HA H 90 4.441 4.550 -0.109 1
1 1460 . 13 2 2 B 41 41 PRO CA C 90 63.140 64.103 -0.963 1
1 1461 . 13 2 2 B 41 41 PRO CB C 90 32.143 31.635 0.508 1
1 6 . 14 1 1 A 2 2 PRO HA H 1765 4.433 4.365 0.068 1
1 13 . 14 1 1 A 2 2 PRO CA C 1765 64.810 64.905 -0.095 1
1 14 . 14 1 1 A 2 2 PRO CB C 1765 31.907 32.112 -0.205 1
1 17 . 14 1 1 A 3 3 GLN H H 1766 8.442 7.773 0.669 1
1 18 . 14 1 1 A 3 3 GLN HA H 1766 3.889 4.102 -0.213 1
1 25 . 14 1 1 A 3 3 GLN CA C 1766 59.103 58.830 0.273 1
1 26 . 14 1 1 A 3 3 GLN CB C 1766 28.595 28.558 0.037 1
1 28 . 14 1 1 A 3 3 GLN N N 1766 115.685 117.453 -1.768 1
1 30 . 14 1 1 A 4 4 GLU H H 1767 8.161 7.751 0.410 1
1 31 . 14 1 1 A 4 4 GLU HA H 1767 4.197 4.043 0.154 1
1 36 . 14 1 1 A 4 4 GLU CA C 1767 57.727 59.709 -1.982 1
1 37 . 14 1 1 A 4 4 GLU CB C 1767 30.250 29.319 0.931 1
1 39 . 14 1 1 A 4 4 GLU N N 1767 121.941 119.935 2.006 1
1 40 . 14 1 1 A 5 5 SER H H 1768 8.291 8.252 0.039 1
1 41 . 14 1 1 A 5 5 SER HA H 1768 4.280 4.117 0.163 1
1 44 . 14 1 1 A 5 5 SER CA C 1768 60.800 61.746 -0.946 1
1 45 . 14 1 1 A 5 5 SER CB C 1768 63.435 62.849 0.586 1
1 46 . 14 1 1 A 5 5 SER N N 1768 116.360 117.276 -0.916 1
1 47 . 14 1 1 A 6 6 ARG H H 1769 7.935 7.674 0.261 1
1 48 . 14 1 1 A 6 6 ARG HA H 1769 4.120 4.075 0.045 1
1 52 . 14 1 1 A 6 6 ARG N N 1769 122.139 121.890 0.249 1
1 53 . 14 1 1 A 7 7 ARG H H 1770 7.952 7.934 0.018 1
1 54 . 14 1 1 A 7 7 ARG HA H 1770 3.939 3.941 -0.002 1
1 61 . 14 1 1 A 7 7 ARG N N 1770 119.527 120.012 -0.485 1
1 62 . 14 1 1 A 8 8 LEU H H 1771 8.120 8.355 -0.235 1
1 63 . 14 1 1 A 8 8 LEU HA H 1771 4.188 4.004 0.184 1
1 73 . 14 1 1 A 8 8 LEU CA C 1771 56.786 57.715 -0.929 1
1 74 . 14 1 1 A 8 8 LEU CB C 1771 41.556 41.699 -0.143 1
1 78 . 14 1 1 A 8 8 LEU N N 1771 120.237 120.642 -0.405 1
1 79 . 14 1 1 A 9 9 SER H H 1772 8.860 7.887 0.973 1
1 80 . 14 1 1 A 9 9 SER HA H 1772 4.224 4.013 0.211 1
1 83 . 14 1 1 A 9 9 SER CA C 1772 61.728 62.283 -0.555 1
1 84 . 14 1 1 A 9 9 SER CB C 1772 62.198 63.076 -0.878 1
1 85 . 14 1 1 A 9 9 SER N N 1772 116.214 113.633 2.581 1
1 86 . 14 1 1 A 10 10 ILE H H 1773 8.133 8.037 0.096 1
1 87 . 14 1 1 A 10 10 ILE HA H 1773 3.510 3.550 -0.040 1
1 97 . 14 1 1 A 10 10 ILE CA C 1773 64.787 65.203 -0.416 1
1 98 . 14 1 1 A 10 10 ILE CB C 1773 38.732 37.561 1.171 1
1 102 . 14 1 1 A 10 10 ILE N N 1773 122.927 121.344 1.583 1
1 103 . 14 1 1 A 11 11 GLN H H 1774 8.250 8.199 0.051 1
1 104 . 14 1 1 A 11 11 GLN HA H 1774 3.980 4.045 -0.065 1
1 111 . 14 1 1 A 11 11 GLN CA C 1774 58.900 58.384 0.516 1
1 113 . 14 1 1 A 11 11 GLN N N 1774 118.893 120.045 -1.152 1
1 115 . 14 1 1 A 12 12 ARG H H 1775 8.272 7.894 0.378 1
1 116 . 14 1 1 A 12 12 ARG HA H 1775 4.168 4.069 0.099 1
1 123 . 14 1 1 A 12 12 ARG CA C 1775 57.730 59.432 -1.702 1
1 126 . 14 1 1 A 12 12 ARG N N 1775 119.560 119.174 0.386 1
1 127 . 14 1 1 A 13 13 CYS HA H 1776 4.176 4.063 0.113 1
1 130 . 14 1 1 A 13 13 CYS CA C 1776 63.610 62.359 1.251 1
1 131 . 14 1 1 A 13 13 CYS CB C 1776 26.965 27.056 -0.091 1
1 132 . 14 1 1 A 14 14 ILE H H 1777 8.597 8.330 0.267 1
1 133 . 14 1 1 A 14 14 ILE HA H 1777 3.735 3.658 0.077 1
1 143 . 14 1 1 A 14 14 ILE CA C 1777 65.220 65.085 0.135 1
1 144 . 14 1 1 A 14 14 ILE CB C 1777 37.320 37.396 -0.076 1
1 148 . 14 1 1 A 14 14 ILE N N 1777 120.174 120.026 0.148 1
1 149 . 14 1 1 A 15 15 GLN H H 1778 8.105 7.965 0.140 1
1 150 . 14 1 1 A 15 15 GLN HA H 1778 4.700 4.016 0.684 1
1 157 . 14 1 1 A 15 15 GLN CA C 1778 59.139 59.032 0.107 1
1 158 . 14 1 1 A 15 15 GLN CB C 1778 28.377 28.673 -0.296 1
1 160 . 14 1 1 A 15 15 GLN N N 1778 119.677 120.173 -0.496 1
1 162 . 14 1 1 A 16 16 SER H H 1779 8.115 7.691 0.424 1
1 163 . 14 1 1 A 16 16 SER HA H 1779 4.407 4.121 0.286 1
1 166 . 14 1 1 A 16 16 SER CA C 1779 61.963 62.600 -0.637 1
1 167 . 14 1 1 A 16 16 SER CB C 1779 63.425 62.815 0.610 1
1 168 . 14 1 1 A 16 16 SER N N 1779 116.542 116.448 0.094 1
1 169 . 14 1 1 A 17 17 LEU H H 1780 8.496 8.059 0.437 1
1 170 . 14 1 1 A 17 17 LEU HA H 1780 3.970 4.036 -0.066 1
1 180 . 14 1 1 A 17 17 LEU CA C 1780 58.286 58.303 -0.017 1
1 181 . 14 1 1 A 17 17 LEU CB C 1780 42.262 41.755 0.507 1
1 185 . 14 1 1 A 17 17 LEU N N 1780 124.870 123.604 1.266 1
1 186 . 14 1 1 A 18 18 VAL H H 1781 8.540 8.151 0.389 1
1 187 . 14 1 1 A 18 18 VAL HA H 1781 3.246 3.539 -0.293 1
1 195 . 14 1 1 A 18 18 VAL CA C 1781 66.905 66.763 0.142 1
1 196 . 14 1 1 A 18 18 VAL CB C 1781 31.672 31.670 0.002 1
1 199 . 14 1 1 A 18 18 VAL N N 1781 119.345 119.111 0.234 1
1 200 . 14 1 1 A 19 19 HIS H H 1782 7.944 8.195 -0.251 1
1 201 . 14 1 1 A 19 19 HIS HA H 1782 4.191 4.090 0.101 1
1 206 . 14 1 1 A 19 19 HIS CA C 1782 59.845 60.257 -0.412 1
1 207 . 14 1 1 A 19 19 HIS CB C 1782 26.965 29.823 -2.858 1
1 210 . 14 1 1 A 19 19 HIS N N 1782 116.521 119.115 -2.594 1
1 211 . 14 1 1 A 20 20 ALA H H 1783 9.830 8.507 1.323 1
1 212 . 14 1 1 A 20 20 ALA HA H 1783 4.367 4.140 0.227 1
1 216 . 14 1 1 A 20 20 ALA CA C 1783 55.191 54.904 0.287 1
1 217 . 14 1 1 A 20 20 ALA CB C 1783 20.695 18.336 2.359 1
1 218 . 14 1 1 A 20 20 ALA N N 1783 121.753 120.495 1.258 1
1 219 . 14 1 1 A 21 21 CYS H H 1784 7.913 7.509 0.404 1
1 220 . 14 1 1 A 21 21 CYS HA H 1784 4.236 4.394 -0.158 1
1 223 . 14 1 1 A 21 21 CYS CA C 1784 61.963 60.416 1.547 1
1 224 . 14 1 1 A 21 21 CYS CB C 1784 26.965 27.237 -0.272 1
1 225 . 14 1 1 A 21 21 CYS N N 1784 112.237 115.231 -2.994 1
1 226 . 14 1 1 A 22 22 GLN H H 1785 7.320 8.019 -0.699 1
1 227 . 14 1 1 A 22 22 GLN HA H 1785 4.475 4.439 0.036 1
1 234 . 14 1 1 A 22 22 GLN CA C 1785 54.970 55.238 -0.268 1
1 235 . 14 1 1 A 22 22 GLN CB C 1785 30.731 29.811 0.920 1
1 237 . 14 1 1 A 22 22 GLN N N 1785 115.939 115.400 0.539 1
1 239 . 14 1 1 A 23 23 CYS H H 1786 7.268 7.538 -0.270 1
1 240 . 14 1 1 A 23 23 CYS HA H 1786 3.898 4.087 -0.189 1
1 243 . 14 1 1 A 23 23 CYS CA C 1786 60.800 60.183 0.617 1
1 244 . 14 1 1 A 23 23 CYS CB C 1786 28.848 28.887 -0.039 1
1 245 . 14 1 1 A 23 23 CYS N N 1786 124.452 120.062 4.390 1
1 246 . 14 1 1 A 24 24 ARG H H 1787 8.854 8.656 0.198 1
1 247 . 14 1 1 A 24 24 ARG HA H 1787 4.539 4.085 0.454 1
1 254 . 14 1 1 A 24 24 ARG CA C 1787 54.735 57.609 -2.874 1
1 255 . 14 1 1 A 24 24 ARG CB C 1787 30.250 29.695 0.555 1
1 258 . 14 1 1 A 24 24 ARG N N 1787 130.523 125.046 5.477 1
1 259 . 14 1 1 A 25 25 ASN H H 1788 7.553 7.782 -0.229 1
1 260 . 14 1 1 A 25 25 ASN HA H 1788 4.799 4.940 -0.141 1
1 265 . 14 1 1 A 25 25 ASN CA C 1788 51.911 52.210 -0.299 1
1 266 . 14 1 1 A 25 25 ASN CB C 1788 39.203 40.506 -1.303 1
1 267 . 14 1 1 A 25 25 ASN N N 1788 119.613 117.911 1.702 1
1 269 . 14 1 1 A 26 26 ALA H H 1789 9.185 9.120 0.065 1
1 270 . 14 1 1 A 26 26 ALA HA H 1789 4.740 4.076 0.664 1
1 274 . 14 1 1 A 26 26 ALA CA C 1789 54.264 54.710 -0.446 1
1 275 . 14 1 1 A 26 26 ALA CB C 1789 18.796 18.456 0.340 1
1 276 . 14 1 1 A 26 26 ALA N N 1789 130.841 128.896 1.945 1
1 277 . 14 1 1 A 27 27 ASN H H 1790 8.520 7.838 0.682 1
1 278 . 14 1 1 A 27 27 ASN HA H 1790 4.761 4.856 -0.095 1
1 283 . 14 1 1 A 27 27 ASN CA C 1790 51.911 53.419 -1.508 1
1 284 . 14 1 1 A 27 27 ASN CB C 1790 38.967 39.112 -0.145 1
1 285 . 14 1 1 A 27 27 ASN N N 1790 113.345 113.780 -0.435 1
1 287 . 14 1 1 A 28 28 CYS H H 1791 7.224 7.232 -0.008 1
1 288 . 14 1 1 A 28 28 CYS HA H 1791 4.950 4.327 0.623 1
1 291 . 14 1 1 A 28 28 CYS CA C 1791 61.257 60.087 1.170 1
1 292 . 14 1 1 A 28 28 CYS CB C 1791 30.495 28.796 1.699 1
1 293 . 14 1 1 A 28 28 CYS N N 1791 123.463 120.586 2.877 1
1 294 . 14 1 1 A 29 29 SER H H 1792 8.811 8.875 -0.064 1
1 295 . 14 1 1 A 29 29 SER HA H 1792 4.449 4.530 -0.081 1
1 298 . 14 1 1 A 29 29 SER CA C 1792 57.492 59.593 -2.101 1
1 299 . 14 1 1 A 29 29 SER CB C 1792 63.835 63.896 -0.061 1
1 300 . 14 1 1 A 29 29 SER N N 1792 125.781 120.098 5.683 1
1 301 . 14 1 1 A 30 30 LEU H H 1793 7.851 6.882 0.969 1
1 302 . 14 1 1 A 30 30 LEU HA H 1793 4.507 4.428 0.079 1
1 312 . 14 1 1 A 30 30 LEU CA C 1793 53.558 52.877 0.681 1
1 313 . 14 1 1 A 30 30 LEU CB C 1793 42.270 43.106 -0.836 1
1 317 . 14 1 1 A 30 30 LEU N N 1793 125.656 123.138 2.518 1
1 318 . 14 1 1 A 31 31 PRO HA H 1794 4.363 4.287 0.076 1
1 325 . 14 1 1 A 31 31 PRO CA C 1794 64.787 65.220 -0.433 1
1 326 . 14 1 1 A 31 31 PRO CB C 1794 32.708 31.781 0.927 1
1 329 . 14 1 1 A 32 32 SER H H 1795 8.625 8.266 0.359 1
1 330 . 14 1 1 A 32 32 SER HA H 1795 4.309 4.180 0.129 1
1 332 . 14 1 1 A 32 32 SER CA C 1795 60.124 61.448 -1.324 1
1 333 . 14 1 1 A 32 32 SER CB C 1795 62.982 62.818 0.164 1
1 334 . 14 1 1 A 32 32 SER N N 1795 112.707 113.440 -0.733 1
1 335 . 14 1 1 A 33 33 CYS H H 1796 6.679 7.641 -0.962 1
1 336 . 14 1 1 A 33 33 CYS HA H 1796 4.108 4.081 0.027 1
1 339 . 14 1 1 A 33 33 CYS CA C 1796 62.669 62.417 0.252 1
1 340 . 14 1 1 A 33 33 CYS CB C 1796 30.495 26.509 3.986 1
1 341 . 14 1 1 A 33 33 CYS N N 1796 126.200 121.114 5.086 1
1 342 . 14 1 1 A 34 34 GLN H H 1797 7.870 8.035 -0.165 1
1 343 . 14 1 1 A 34 34 GLN HA H 1797 3.867 3.921 -0.054 1
1 350 . 14 1 1 A 34 34 GLN CA C 1797 59.140 59.130 0.010 1
1 351 . 14 1 1 A 34 34 GLN CB C 1797 31.360 27.942 3.418 1
1 353 . 14 1 1 A 34 34 GLN N N 1797 115.529 119.525 -3.996 1
1 355 . 14 1 1 A 35 35 LYS H H 1798 8.340 7.967 0.373 1
1 356 . 14 1 1 A 35 35 LYS HA H 1798 4.240 4.050 0.190 1
1 365 . 14 1 1 A 35 35 LYS CA C 1798 58.904 59.404 -0.500 1
1 366 . 14 1 1 A 35 35 LYS CB C 1798 32.686 32.256 0.430 1
1 370 . 14 1 1 A 35 35 LYS N N 1798 117.144 119.477 -2.333 1
1 371 . 14 1 1 A 36 36 MET H H 1799 8.163 8.571 -0.408 1
1 372 . 14 1 1 A 36 36 MET HA H 1799 4.369 4.073 0.296 1
1 380 . 14 1 1 A 36 36 MET CA C 1799 56.474 59.333 -2.859 1
1 381 . 14 1 1 A 36 36 MET CB C 1799 31.110 32.751 -1.641 1
1 384 . 14 1 1 A 36 36 MET N N 1799 117.485 119.238 -1.753 1
1 385 . 14 1 1 A 37 37 LYS H H 1800 9.337 8.161 1.176 1
1 386 . 14 1 1 A 37 37 LYS HA H 1800 3.840 3.987 -0.147 1
1 395 . 14 1 1 A 37 37 LYS CA C 1800 61.200 59.918 1.282 1
1 396 . 14 1 1 A 37 37 LYS CB C 1800 32.691 32.351 0.340 1
1 400 . 14 1 1 A 37 37 LYS N N 1800 120.830 119.193 1.637 1
1 401 . 14 1 1 A 38 38 ARG H H 1801 7.399 7.533 -0.134 1
1 402 . 14 1 1 A 38 38 ARG HA H 1801 4.490 4.082 0.408 1
1 409 . 14 1 1 A 38 38 ARG CA C 1801 59.263 59.445 -0.182 1
1 410 . 14 1 1 A 38 38 ARG CB C 1801 31.179 30.018 1.161 1
1 413 . 14 1 1 A 38 38 ARG N N 1801 118.965 120.133 -1.168 1
1 414 . 14 1 1 A 39 39 VAL H H 1802 8.420 7.857 0.563 1
1 415 . 14 1 1 A 39 39 VAL HA H 1802 3.239 3.811 -0.572 1
1 423 . 14 1 1 A 39 39 VAL CA C 1802 67.140 65.392 1.748 1
1 424 . 14 1 1 A 39 39 VAL CB C 1802 31.685 31.405 0.280 1
1 427 . 14 1 1 A 39 39 VAL N N 1802 123.140 115.709 7.431 1
1 428 . 14 1 1 A 40 40 VAL H H 1803 8.195 8.288 -0.093 1
1 429 . 14 1 1 A 40 40 VAL HA H 1803 3.403 3.645 -0.242 1
1 437 . 14 1 1 A 40 40 VAL CA C 1803 66.905 66.657 0.248 1
1 438 . 14 1 1 A 40 40 VAL CB C 1803 31.907 31.406 0.501 1
1 441 . 14 1 1 A 40 40 VAL N N 1803 118.716 121.236 -2.520 1
1 442 . 14 1 1 A 41 41 GLN H H 1804 8.310 8.146 0.164 1
1 443 . 14 1 1 A 41 41 GLN HA H 1804 3.916 4.074 -0.158 1
1 450 . 14 1 1 A 41 41 GLN CA C 1804 58.591 58.794 -0.203 1
1 451 . 14 1 1 A 41 41 GLN CB C 1804 28.561 28.531 0.030 1
1 453 . 14 1 1 A 41 41 GLN N N 1804 119.193 118.531 0.662 1
1 455 . 14 1 1 A 42 42 HIS H H 1805 8.152 7.892 0.260 1
1 456 . 14 1 1 A 42 42 HIS HA H 1805 4.222 4.346 -0.124 1
1 461 . 14 1 1 A 42 42 HIS CA C 1805 59.139 59.422 -0.283 1
1 462 . 14 1 1 A 42 42 HIS CB C 1805 27.201 30.283 -3.082 1
1 465 . 14 1 1 A 42 42 HIS N N 1805 118.579 121.440 -2.861 1
1 466 . 14 1 1 A 43 43 THR H H 1806 7.997 8.549 -0.552 1
1 467 . 14 1 1 A 43 43 THR HA H 1806 3.888 4.070 -0.182 1
1 473 . 14 1 1 A 43 43 THR CA C 1806 65.728 65.345 0.383 1
1 474 . 14 1 1 A 43 43 THR CB C 1806 69.023 68.978 0.045 1
1 476 . 14 1 1 A 43 43 THR N N 1806 113.599 113.786 -0.187 1
1 477 . 14 1 1 A 44 44 LYS H H 1807 7.381 8.725 -1.344 1
1 478 . 14 1 1 A 44 44 LYS HA H 1807 4.190 4.203 -0.013 1
1 487 . 14 1 1 A 44 44 LYS CA C 1807 58.668 58.091 0.577 1
1 488 . 14 1 1 A 44 44 LYS CB C 1807 32.731 31.418 1.313 1
1 492 . 14 1 1 A 44 44 LYS N N 1807 120.270 119.429 0.841 1
1 493 . 14 1 1 A 45 45 GLY H H 1808 7.610 7.899 -0.289 1
1 494 . 14 1 1 A 45 45 GLY HA2 H 1808 3.610 4.050 -0.440 1
1 495 . 14 1 1 A 45 45 GLY HA3 H 1808 4.380 4.068 0.312 1
1 496 . 14 1 1 A 45 45 GLY CA C 1808 44.851 45.284 -0.433 1
1 497 . 14 1 1 A 45 45 GLY N N 1808 125.480 106.732 18.748 1
1 498 . 14 1 1 A 46 46 CYS H H 1809 6.898 7.485 -0.587 1
1 499 . 14 1 1 A 46 46 CYS HA H 1809 3.957 4.178 -0.221 1
1 502 . 14 1 1 A 46 46 CYS CA C 1809 60.551 59.530 1.021 1
1 503 . 14 1 1 A 46 46 CYS CB C 1809 30.260 28.831 1.429 1
1 504 . 14 1 1 A 46 46 CYS N N 1809 123.457 119.919 3.538 1
1 505 . 14 1 1 A 47 47 LYS HA H 1810 4.471 4.175 0.296 1
1 514 . 14 1 1 A 47 47 LYS CA C 1810 56.800 58.221 -1.421 1
1 515 . 14 1 1 A 47 47 LYS CB C 1810 33.840 32.368 1.472 1
1 518 . 14 1 1 A 48 48 ARG H H 1811 8.575 7.209 1.366 1
1 519 . 14 1 1 A 48 48 ARG HA H 1811 4.366 4.543 -0.177 1
1 526 . 14 1 1 A 48 48 ARG CA C 1811 57.256 56.439 0.817 1
1 527 . 14 1 1 A 48 48 ARG CB C 1811 32.143 32.666 -0.523 1
1 530 . 14 1 1 A 48 48 ARG N N 1811 122.731 114.458 8.273 1
1 531 . 14 1 1 A 49 49 LYS H H 1812 8.663 7.632 1.031 1
1 532 . 14 1 1 A 49 49 LYS HA H 1812 4.521 4.321 0.200 1
1 539 . 14 1 1 A 49 49 LYS CA C 1812 57.256 57.943 -0.687 1
1 540 . 14 1 1 A 49 49 LYS CB C 1812 32.378 32.237 0.141 1
1 543 . 14 1 1 A 49 49 LYS N N 1812 118.409 120.384 -1.975 1
1 544 . 14 1 1 A 50 50 THR HA H 1813 4.710 3.955 0.755 1
1 549 . 14 1 1 A 50 50 THR CA C 1813 63.846 65.485 -1.639 1
1 550 . 14 1 1 A 50 50 THR CB C 1813 68.317 68.357 -0.040 1
1 552 . 14 1 1 A 51 51 ASN HA H 1814 4.676 4.340 0.336 1
1 557 . 14 1 1 A 51 51 ASN CA C 1814 82.908 56.347 26.561 1
1 558 . 14 1 1 A 51 51 ASN CB C 1814 38.732 38.340 0.392 1
1 560 . 14 1 1 A 52 52 GLY H H 1815 7.879 7.852 0.027 1
1 561 . 14 1 1 A 52 52 GLY HA2 H 1815 4.300 3.938 0.362 1
1 562 . 14 1 1 A 52 52 GLY HA3 H 1815 3.831 3.941 -0.110 1
1 563 . 14 1 1 A 52 52 GLY CA C 1815 45.557 45.294 0.263 1
1 564 . 14 1 1 A 52 52 GLY N N 1815 129.890 106.245 23.645 1
1 565 . 14 1 1 A 53 53 GLY H H 1816 7.765 7.833 -0.068 1
1 566 . 14 1 1 A 53 53 GLY HA2 H 1816 3.885 3.940 -0.055 1
1 567 . 14 1 1 A 53 53 GLY HA3 H 1816 3.985 3.941 0.044 1
1 568 . 14 1 1 A 53 53 GLY CA C 1816 45.792 45.599 0.193 1
1 569 . 14 1 1 A 53 53 GLY N N 1816 128.949 107.931 21.018 1
1 570 . 14 1 1 A 54 54 CYS H H 1817 8.800 8.021 0.779 1
1 571 . 14 1 1 A 54 54 CYS HA H 1817 4.821 4.572 0.249 1
1 574 . 14 1 1 A 54 54 CYS CA C 1817 55.138 57.483 -2.345 1
1 575 . 14 1 1 A 54 54 CYS CB C 1817 30.966 28.873 2.093 1
1 576 . 14 1 1 A 54 54 CYS N N 1817 122.429 119.370 3.059 1
1 577 . 14 1 1 A 55 55 PRO HA H 1818 4.330 4.328 0.002 1
1 584 . 14 1 1 A 55 55 PRO CA C 1818 64.787 65.594 -0.807 1
1 585 . 14 1 1 A 55 55 PRO CB C 1818 32.613 31.714 0.899 1
1 588 . 14 1 1 A 56 56 VAL H H 1819 7.750 7.339 0.411 1
1 589 . 14 1 1 A 56 56 VAL HA H 1819 3.884 3.602 0.282 1
1 597 . 14 1 1 A 56 56 VAL CA C 1819 65.728 66.091 -0.363 1
1 598 . 14 1 1 A 56 56 VAL CB C 1819 32.849 31.100 1.749 1
1 601 . 14 1 1 A 56 56 VAL N N 1819 121.605 115.371 6.234 1
1 602 . 14 1 1 A 57 57 CYS H H 1820 8.884 8.094 0.790 1
1 603 . 14 1 1 A 57 57 CYS HA H 1820 4.106 3.884 0.222 1
1 606 . 14 1 1 A 57 57 CYS CA C 1820 65.728 63.852 1.876 1
1 607 . 14 1 1 A 57 57 CYS CB C 1820 30.250 27.039 3.211 1
1 608 . 14 1 1 A 57 57 CYS N N 1820 124.260 117.545 6.715 1
1 609 . 14 1 1 A 58 58 LYS H H 1821 8.133 8.080 0.053 1
1 610 . 14 1 1 A 58 58 LYS HA H 1821 3.942 3.838 0.104 1
1 619 . 14 1 1 A 58 58 LYS CA C 1821 59.610 59.710 -0.100 1
1 620 . 14 1 1 A 58 58 LYS CB C 1821 32.849 32.380 0.469 1
1 624 . 14 1 1 A 58 58 LYS N N 1821 117.129 120.921 -3.792 1
1 625 . 14 1 1 A 59 59 GLN H H 1822 7.318 7.959 -0.641 1
1 626 . 14 1 1 A 59 59 GLN HA H 1822 4.357 3.956 0.401 1
1 632 . 14 1 1 A 59 59 GLN N N 1822 117.943 118.709 -0.766 1
1 633 . 14 1 1 A 60 60 LEU H H 1823 8.667 8.049 0.618 1
1 634 . 14 1 1 A 60 60 LEU HA H 1823 4.950 4.011 0.939 1
1 647 . 14 1 1 A 60 60 LEU N N 1823 120.670 120.547 0.123 1
1 648 . 14 1 1 A 61 61 ILE H H 1824 8.780 8.324 0.456 1
1 649 . 14 1 1 A 61 61 ILE HA H 1824 3.614 3.569 0.045 1
1 659 . 14 1 1 A 61 61 ILE CA C 1824 64.787 65.376 -0.589 1
1 660 . 14 1 1 A 61 61 ILE CB C 1824 37.320 37.423 -0.103 1
1 664 . 14 1 1 A 61 61 ILE N N 1824 119.837 118.665 1.172 1
1 665 . 14 1 1 A 62 62 ALA H H 1825 7.675 8.376 -0.701 1
1 666 . 14 1 1 A 62 62 ALA HA H 1825 4.112 4.142 -0.030 1
1 670 . 14 1 1 A 62 62 ALA CA C 1825 55.374 55.381 -0.007 1
1 671 . 14 1 1 A 62 62 ALA CB C 1825 18.560 18.409 0.151 1
1 672 . 14 1 1 A 62 62 ALA N N 1825 122.779 122.280 0.499 1
1 673 . 14 1 1 A 63 63 LEU H H 1826 7.983 7.954 0.029 1
1 674 . 14 1 1 A 63 63 LEU HA H 1826 4.114 3.958 0.156 1
1 684 . 14 1 1 A 63 63 LEU CA C 1826 58.334 58.124 0.210 1
1 685 . 14 1 1 A 63 63 LEU CB C 1826 42.821 41.724 1.097 1
1 689 . 14 1 1 A 63 63 LEU N N 1826 118.291 117.820 0.471 1
1 690 . 14 1 1 A 64 64 CYS H H 1827 8.663 8.557 0.106 1
1 691 . 14 1 1 A 64 64 CYS HA H 1827 4.350 4.215 0.135 1
1 694 . 14 1 1 A 64 64 CYS CA C 1827 64.800 62.718 2.082 1
1 695 . 14 1 1 A 64 64 CYS CB C 1827 26.495 26.158 0.337 1
1 696 . 14 1 1 A 64 64 CYS N N 1827 118.409 116.786 1.623 1
1 697 . 14 1 1 A 65 65 CYS H H 1828 8.672 8.468 0.204 1
1 698 . 14 1 1 A 65 65 CYS HA H 1828 4.152 4.131 0.021 1
1 701 . 14 1 1 A 65 65 CYS CA C 1828 63.547 62.905 0.642 1
1 702 . 14 1 1 A 65 65 CYS CB C 1828 26.495 26.447 0.048 1
1 703 . 14 1 1 A 65 65 CYS N N 1828 118.996 121.591 -2.595 1
1 704 . 14 1 1 A 66 66 TYR H H 1829 7.837 8.621 -0.784 1
1 705 . 14 1 1 A 66 66 TYR HA H 1829 4.199 4.236 -0.037 1
1 712 . 14 1 1 A 66 66 TYR CA C 1829 61.220 61.806 -0.586 1
1 713 . 14 1 1 A 66 66 TYR CB C 1829 38.261 38.573 -0.312 1
1 716 . 14 1 1 A 66 66 TYR N N 1829 120.650 122.268 -1.618 1
1 717 . 14 1 1 A 67 67 HIS H H 1830 8.323 8.348 -0.025 1
1 718 . 14 1 1 A 67 67 HIS HA H 1830 4.341 4.405 -0.064 1
1 723 . 14 1 1 A 67 67 HIS CA C 1830 58.668 60.416 -1.748 1
1 724 . 14 1 1 A 67 67 HIS CB C 1830 27.907 29.942 -2.035 1
1 727 . 14 1 1 A 67 67 HIS N N 1830 117.149 119.372 -2.223 1
1 728 . 14 1 1 A 68 68 ALA H H 1831 8.693 8.563 0.130 1
1 729 . 14 1 1 A 68 68 ALA HA H 1831 4.250 4.041 0.209 1
1 733 . 14 1 1 A 68 68 ALA CA C 1831 55.205 55.408 -0.203 1
1 734 . 14 1 1 A 68 68 ALA CB C 1831 20.695 18.470 2.225 1
1 735 . 14 1 1 A 68 68 ALA N N 1831 121.519 120.890 0.629 1
1 736 . 14 1 1 A 69 69 LYS H H 1832 7.126 8.213 -1.087 1
1 737 . 14 1 1 A 69 69 LYS HA H 1832 3.737 4.037 -0.300 1
1 746 . 14 1 1 A 69 69 LYS CA C 1832 57.962 59.627 -1.665 1
1 747 . 14 1 1 A 69 69 LYS CB C 1832 32.613 31.717 0.896 1
1 751 . 14 1 1 A 69 69 LYS N N 1832 114.376 119.174 -4.798 1
1 752 . 14 1 1 A 70 70 HIS H H 1833 6.884 7.450 -0.566 1
1 753 . 14 1 1 A 70 70 HIS HA H 1833 4.711 4.466 0.245 1
1 758 . 14 1 1 A 70 70 HIS CA C 1833 54.970 57.687 -2.717 1
1 759 . 14 1 1 A 70 70 HIS CB C 1833 31.201 30.631 0.570 1
1 762 . 14 1 1 A 70 70 HIS N N 1833 113.369 114.528 -1.159 1
1 763 . 14 1 1 A 71 71 CYS H H 1834 6.969 7.431 -0.462 1
1 764 . 14 1 1 A 71 71 CYS HA H 1834 4.210 4.280 -0.070 1
1 767 . 14 1 1 A 71 71 CYS CA C 1834 60.800 59.334 1.466 1
1 768 . 14 1 1 A 71 71 CYS CB C 1834 30.250 28.657 1.593 1
1 769 . 14 1 1 A 71 71 CYS N N 1834 123.813 118.763 5.050 1
1 770 . 14 1 1 A 72 72 GLN H H 1835 9.101 8.524 0.577 1
1 771 . 14 1 1 A 72 72 GLN HA H 1835 4.646 4.723 -0.077 1
1 778 . 14 1 1 A 72 72 GLN CA C 1835 54.735 55.465 -0.730 1
1 779 . 14 1 1 A 72 72 GLN CB C 1835 29.319 30.698 -1.379 1
1 781 . 14 1 1 A 72 72 GLN N N 1835 128.430 122.188 6.242 1
1 783 . 14 1 1 A 73 73 GLU H H 1836 8.331 7.253 1.078 1
1 784 . 14 1 1 A 73 73 GLU HA H 1836 4.365 4.301 0.064 1
1 788 . 14 1 1 A 73 73 GLU CA C 1836 55.374 56.663 -1.289 1
1 789 . 14 1 1 A 73 73 GLU CB C 1836 30.731 31.027 -0.296 1
1 791 . 14 1 1 A 73 73 GLU N N 1836 123.251 121.793 1.458 1
1 792 . 14 1 1 A 74 74 ASN HA H 1837 4.512 4.480 0.032 1
1 797 . 14 1 1 A 74 74 ASN CA C 1837 54.970 55.357 -0.387 1
1 798 . 14 1 1 A 74 74 ASN CB C 1837 38.732 38.347 0.385 1
1 800 . 14 1 1 A 75 75 LYS H H 1838 8.779 7.917 0.862 1
1 801 . 14 1 1 A 75 75 LYS HA H 1838 4.424 4.575 -0.151 1
1 810 . 14 1 1 A 75 75 LYS CA C 1838 54.735 55.030 -0.295 1
1 811 . 14 1 1 A 75 75 LYS CB C 1838 30.966 32.899 -1.933 1
1 815 . 14 1 1 A 75 75 LYS N N 1838 121.350 116.180 5.170 1
1 816 . 14 1 1 A 76 76 CYS H H 1839 7.590 7.466 0.124 1
1 817 . 14 1 1 A 76 76 CYS HA H 1839 4.361 4.475 -0.114 1
1 820 . 14 1 1 A 76 76 CYS CA C 1839 57.256 57.634 -0.378 1
1 821 . 14 1 1 A 76 76 CYS CB C 1839 30.731 28.252 2.479 1
1 822 . 14 1 1 A 76 76 CYS N N 1839 124.209 120.857 3.352 1
1 823 . 14 1 1 A 77 77 PRO HA H 1840 4.651 4.374 0.277 1
1 830 . 14 1 1 A 77 77 PRO CA C 1840 62.669 64.439 -1.770 1
1 831 . 14 1 1 A 77 77 PRO CB C 1840 32.849 31.946 0.903 1
1 834 . 14 1 1 A 78 78 VAL H H 1841 8.962 7.762 1.200 1
1 835 . 14 1 1 A 78 78 VAL HA H 1841 4.199 4.197 0.002 1
1 843 . 14 1 1 A 78 78 VAL CA C 1841 61.257 60.953 0.304 1
1 844 . 14 1 1 A 78 78 VAL CB C 1841 31.672 32.086 -0.414 1
1 847 . 14 1 1 A 78 78 VAL N N 1841 128.606 119.687 8.919 1
1 848 . 14 1 1 A 79 79 PRO HA H 1842 3.936 4.172 -0.236 1
1 855 . 14 1 1 A 79 79 PRO CA C 1842 63.846 65.122 -1.276 1
1 856 . 14 1 1 A 79 79 PRO CB C 1842 30.731 31.767 -1.036 1
1 859 . 14 1 1 A 80 80 PHE HA H 1843 4.255 4.197 0.058 1
1 866 . 14 1 1 A 80 80 PHE CA C 1843 59.374 60.364 -0.990 1
1 867 . 14 1 1 A 80 80 PHE CB C 1843 37.791 37.782 0.009 1
1 870 . 14 1 1 A 81 81 CYS H H 1844 7.660 8.297 -0.637 1
1 871 . 14 1 1 A 81 81 CYS HA H 1844 3.997 4.199 -0.202 1
1 874 . 14 1 1 A 81 81 CYS CA C 1844 64.552 62.582 1.970 1
1 875 . 14 1 1 A 81 81 CYS CB C 1844 30.495 26.773 3.722 1
1 876 . 14 1 1 A 81 81 CYS N N 1844 124.104 118.334 5.770 1
1 877 . 14 1 1 A 82 82 LEU H H 1845 8.170 8.367 -0.197 1
1 878 . 14 1 1 A 82 82 LEU HA H 1845 3.988 4.040 -0.052 1
1 888 . 14 1 1 A 82 82 LEU CA C 1845 57.962 58.243 -0.281 1
1 889 . 14 1 1 A 82 82 LEU CB C 1845 41.321 41.439 -0.118 1
1 893 . 14 1 1 A 82 82 LEU N N 1845 115.950 121.116 -5.166 1
1 894 . 14 1 1 A 83 83 ASN H H 1846 7.826 8.127 -0.301 1
1 895 . 14 1 1 A 83 83 ASN HA H 1846 4.447 4.607 -0.160 1
1 900 . 14 1 1 A 83 83 ASN CA C 1846 56.800 56.401 0.399 1
1 901 . 14 1 1 A 83 83 ASN CB C 1846 38.967 38.728 0.239 1
1 902 . 14 1 1 A 83 83 ASN N N 1846 116.117 117.895 -1.778 1
1 904 . 14 1 1 A 84 84 ILE H H 1847 8.607 8.356 0.251 1
1 905 . 14 1 1 A 84 84 ILE HA H 1847 3.718 3.626 0.092 1
1 915 . 14 1 1 A 84 84 ILE CA C 1847 64.787 65.499 -0.712 1
1 916 . 14 1 1 A 84 84 ILE CB C 1847 38.497 37.932 0.565 1
1 920 . 14 1 1 A 84 84 ILE N N 1847 121.553 120.620 0.933 1
1 921 . 14 1 1 A 85 85 LYS H H 1848 8.855 8.126 0.729 1
1 922 . 14 1 1 A 85 85 LYS HA H 1848 3.859 3.964 -0.105 1
1 931 . 14 1 1 A 85 85 LYS CA C 1848 60.551 59.353 1.198 1
1 932 . 14 1 1 A 85 85 LYS CB C 1848 32.613 32.367 0.246 1
1 936 . 14 1 1 A 85 85 LYS N N 1848 119.992 118.733 1.259 1
1 937 . 14 1 1 A 86 86 HIS H H 1849 8.100 7.830 0.270 1
1 938 . 14 1 1 A 86 86 HIS HA H 1849 4.411 4.323 0.088 1
1 943 . 14 1 1 A 86 86 HIS CA C 1849 58.433 60.037 -1.604 1
1 944 . 14 1 1 A 86 86 HIS CB C 1849 30.495 29.730 0.765 1
1 947 . 14 1 1 A 86 86 HIS N N 1849 117.237 119.783 -2.546 1
1 948 . 14 1 1 A 87 87 LYS H H 1850 7.685 8.141 -0.456 1
1 949 . 14 1 1 A 87 87 LYS HA H 1850 4.128 3.859 0.269 1
1 958 . 14 1 1 A 87 87 LYS CA C 1850 57.727 59.327 -1.600 1
1 959 . 14 1 1 A 87 87 LYS CB C 1850 32.378 32.633 -0.255 1
1 963 . 14 1 1 A 87 87 LYS N N 1850 119.118 117.497 1.621 1
1 964 . 14 1 1 A 88 88 LEU H H 1851 8.230 8.597 -0.367 1
1 965 . 14 1 1 A 88 88 LEU HA H 1851 4.174 3.939 0.235 1
1 975 . 14 1 1 A 88 88 LEU CA C 1851 56.800 57.982 -1.182 1
1 976 . 14 1 1 A 88 88 LEU CB C 1851 42.262 41.493 0.769 1
1 980 . 14 1 1 A 88 88 LEU N N 1851 119.305 119.978 -0.673 1
1 981 . 14 1 1 A 89 89 ARG H H 1852 7.765 8.047 -0.282 1
1 982 . 14 1 1 A 89 89 ARG HA H 1852 4.245 4.014 0.231 1
1 989 . 14 1 1 A 89 89 ARG CA C 1852 56.550 59.116 -2.566 1
1 990 . 14 1 1 A 89 89 ARG CB C 1852 30.260 29.278 0.982 1
1 993 . 14 1 1 A 89 89 ARG N N 1852 118.302 118.914 -0.612 1
1 994 . 14 1 1 A 90 90 GLN H H 1853 7.851 7.880 -0.029 1
1 995 . 14 1 1 A 90 90 GLN HA H 1853 4.262 4.134 0.128 1
1 1002 . 14 1 1 A 90 90 GLN CA C 1853 55.609 57.730 -2.121 1
1 1003 . 14 1 1 A 90 90 GLN CB C 1853 29.554 28.809 0.745 1
1 1005 . 14 1 1 A 90 90 GLN N N 1853 119.450 117.833 1.617 1
1 1007 . 14 1 1 A 91 91 GLN H H 1854 8.710 7.880 0.830 1
1 1008 . 14 1 1 A 91 91 GLN HA H 1854 4.317 4.207 0.110 1
1 1015 . 14 1 1 A 91 91 GLN CA C 1854 55.609 57.875 -2.266 1
1 1016 . 14 1 1 A 91 91 GLN CB C 1854 29.554 28.948 0.606 1
1 1018 . 14 1 1 A 91 91 GLN N N 1854 120.675 118.027 2.648 1
1 1038 . 14 2 2 B 2 2 HIS HA H 51 4.636 4.351 0.285 1
1 1043 . 14 2 2 B 2 2 HIS CA C 51 55.844 55.969 -0.125 1
1 1044 . 14 2 2 B 2 2 HIS CB C 51 30.495 30.390 0.105 1
1 1047 . 14 2 2 B 3 3 MET H H 52 8.230 8.888 -0.658 1
1 1048 . 14 2 2 B 3 3 MET HA H 52 4.430 4.702 -0.272 1
1 1053 . 14 2 2 B 3 3 MET CA C 52 54.903 54.941 -0.038 1
1 1054 . 14 2 2 B 3 3 MET CB C 52 33.840 32.934 0.906 1
1 1056 . 14 2 2 B 3 3 MET N N 52 121.881 119.576 2.305 1
1 1057 . 14 2 2 B 4 4 ALA H H 53 8.269 7.695 0.574 1
1 1058 . 14 2 2 B 4 4 ALA HA H 53 4.586 4.847 -0.261 1
1 1062 . 14 2 2 B 4 4 ALA CA C 53 51.255 50.099 1.156 1
1 1063 . 14 2 2 B 4 4 ALA CB C 53 18.796 22.175 -3.379 1
1 1064 . 14 2 2 B 4 4 ALA N N 53 126.758 121.070 5.688 1
1 1065 . 14 2 2 B 5 5 PRO HA H 54 4.705 4.672 0.033 1
1 1072 . 14 2 2 B 5 5 PRO CA C 54 61.257 62.304 -1.047 1
1 1073 . 14 2 2 B 5 5 PRO CB C 54 30.966 33.106 -2.140 1
1 1076 . 14 2 2 B 6 6 GLU H H 55 8.468 8.533 -0.065 1
1 1077 . 14 2 2 B 6 6 GLU HA H 55 4.150 5.103 -0.953 1
1 1082 . 14 2 2 B 6 6 GLU CA C 55 56.550 54.381 2.169 1
1 1083 . 14 2 2 B 6 6 GLU CB C 55 30.495 33.566 -3.071 1
1 1085 . 14 2 2 B 6 6 GLU N N 55 121.693 117.735 3.958 1
1 1086 . 14 2 2 B 7 7 ASP H H 56 8.574 8.548 0.026 1
1 1087 . 14 2 2 B 7 7 ASP HA H 56 5.200 4.993 0.207 1
1 1090 . 14 2 2 B 7 7 ASP CA C 56 51.255 50.588 0.667 1
1 1091 . 14 2 2 B 7 7 ASP CB C 56 42.262 43.935 -1.673 1
1 1092 . 14 2 2 B 7 7 ASP N N 56 120.873 120.542 0.331 1
1 1093 . 14 2 2 B 8 8 PRO HA H 57 4.465 4.361 0.104 1
1 1100 . 14 2 2 B 8 8 PRO CA C 57 63.610 64.260 -0.650 1
1 1101 . 14 2 2 B 8 8 PRO CB C 57 32.378 31.904 0.474 1
1 1104 . 14 2 2 B 9 9 ASN H H 58 8.301 8.586 -0.285 1
1 1105 . 14 2 2 B 9 9 ASN HA H 58 4.809 4.593 0.216 1
1 1110 . 14 2 2 B 9 9 ASN CA C 58 53.558 54.360 -0.802 1
1 1111 . 14 2 2 B 9 9 ASN CB C 58 38.497 38.546 -0.049 1
1 1112 . 14 2 2 B 9 9 ASN N N 58 117.190 115.994 1.196 1
1 1114 . 14 2 2 B 10 10 GLU H H 59 7.366 8.276 -0.910 1
1 1115 . 14 2 2 B 10 10 GLU HA H 59 3.641 4.013 -0.372 1
1 1120 . 14 2 2 B 10 10 GLU CA C 59 60.800 59.200 1.600 1
1 1121 . 14 2 2 B 10 10 GLU CB C 59 29.554 28.730 0.824 1
1 1123 . 14 2 2 B 10 10 GLU N N 59 122.354 118.547 3.807 1
1 1124 . 14 2 2 B 11 11 GLU H H 60 8.618 8.317 0.301 1
1 1125 . 14 2 2 B 11 11 GLU HA H 60 3.933 4.039 -0.106 1
1 1130 . 14 2 2 B 11 11 GLU CA C 60 59.139 59.381 -0.242 1
1 1131 . 14 2 2 B 11 11 GLU CB C 60 29.830 29.396 0.434 1
1 1133 . 14 2 2 B 11 11 GLU N N 60 120.391 120.204 0.187 1
1 1134 . 14 2 2 B 12 12 ALA H H 61 8.280 7.713 0.567 1
1 1135 . 14 2 2 B 12 12 ALA HA H 61 4.180 4.023 0.157 1
1 1139 . 14 2 2 B 12 12 ALA CA C 61 55.205 54.559 0.646 1
1 1140 . 14 2 2 B 12 12 ALA CB C 61 20.695 18.194 2.501 1
1 1141 . 14 2 2 B 12 12 ALA N N 61 122.378 121.802 0.576 1
1 1142 . 14 2 2 B 13 13 VAL H H 62 7.773 7.221 0.552 1
1 1143 . 14 2 2 B 13 13 VAL HA H 62 3.974 3.353 0.621 1
1 1151 . 14 2 2 B 13 13 VAL CA C 62 66.199 66.159 0.040 1
1 1152 . 14 2 2 B 13 13 VAL CB C 62 31.907 31.513 0.394 1
1 1155 . 14 2 2 B 13 13 VAL N N 62 116.653 118.185 -1.532 1
1 1156 . 14 2 2 B 14 14 SER H H 63 8.288 8.322 -0.034 1
1 1157 . 14 2 2 B 14 14 SER HA H 63 4.620 3.893 0.727 1
1 1160 . 14 2 2 B 14 14 SER CA C 63 60.786 61.491 -0.705 1
1 1161 . 14 2 2 B 14 14 SER CB C 63 62.434 62.948 -0.514 1
1 1162 . 14 2 2 B 14 14 SER N N 63 115.328 115.102 0.226 1
1 1163 . 14 2 2 B 15 15 GLN H H 64 7.775 7.986 -0.211 1
1 1164 . 14 2 2 B 15 15 GLN HA H 64 4.190 4.031 0.159 1
1 1171 . 14 2 2 B 15 15 GLN CA C 64 57.492 58.163 -0.671 1
1 1172 . 14 2 2 B 15 15 GLN CB C 64 28.613 27.357 1.256 1
1 1174 . 14 2 2 B 15 15 GLN N N 64 119.350 118.074 1.276 1
1 1176 . 14 2 2 B 16 16 ILE H H 65 7.217 7.451 -0.234 1
1 1177 . 14 2 2 B 16 16 ILE HA H 65 3.788 3.934 -0.146 1
1 1186 . 14 2 2 B 16 16 ILE CA C 65 61.492 63.281 -1.789 1
1 1187 . 14 2 2 B 16 16 ILE CB C 65 37.320 39.016 -1.696 1
1 1191 . 14 2 2 B 16 16 ILE N N 65 117.427 118.777 -1.350 1
1 1192 . 14 2 2 B 17 17 PHE H H 66 8.370 7.622 0.748 1
1 1193 . 14 2 2 B 17 17 PHE HA H 66 4.407 4.923 -0.516 1
1 1200 . 14 2 2 B 17 17 PHE CA C 66 55.374 55.184 0.190 1
1 1201 . 14 2 2 B 17 17 PHE CB C 66 42.270 40.320 1.950 1
1 1205 . 14 2 2 B 17 17 PHE N N 66 117.389 115.138 2.251 1
1 1206 . 14 2 2 B 18 18 PRO HA H 67 4.784 4.772 0.012 1
1 1213 . 14 2 2 B 18 18 PRO CA C 67 62.669 62.362 0.307 1
1 1214 . 14 2 2 B 18 18 PRO CB C 67 32.378 33.235 -0.857 1
1 1217 . 14 2 2 B 19 19 ASP H H 68 9.127 9.071 0.056 1
1 1218 . 14 2 2 B 19 19 ASP HA H 68 4.261 4.425 -0.164 1
1 1221 . 14 2 2 B 19 19 ASP CA C 68 57.927 56.950 0.977 1
1 1222 . 14 2 2 B 19 19 ASP CB C 68 40.451 40.383 0.068 1
1 1223 . 14 2 2 B 19 19 ASP N N 68 123.618 123.036 0.582 1
1 1224 . 14 2 2 B 20 20 SER H H 69 8.624 7.924 0.700 1
1 1225 . 14 2 2 B 20 20 SER HA H 69 4.816 4.400 0.416 1
1 1226 . 14 2 2 B 20 20 SER N N 69 112.914 112.616 0.298 1
1 1227 . 14 2 2 B 21 21 VAL H H 70 7.380 7.635 -0.255 1
1 1228 . 14 2 2 B 21 21 VAL HA H 70 3.958 4.712 -0.754 1
1 1236 . 14 2 2 B 21 21 VAL CA C 70 64.316 58.826 5.490 1
1 1237 . 14 2 2 B 21 21 VAL CB C 70 32.378 35.830 -3.452 1
1 1240 . 14 2 2 B 21 21 VAL N N 70 123.280 115.377 7.903 1
1 1241 . 14 2 2 B 22 22 MET H H 71 7.638 8.640 -1.002 1
1 1242 . 14 2 2 B 22 22 MET HA H 71 4.266 4.520 -0.254 1
1 1248 . 14 2 2 B 22 22 MET CA C 71 55.844 54.102 1.742 1
1 1249 . 14 2 2 B 22 22 MET CB C 71 31.907 31.136 0.771 1
1 1251 . 14 2 2 B 22 22 MET N N 71 117.825 123.337 -5.512 1
1 1252 . 14 2 2 B 23 23 LEU H H 72 8.102 7.773 0.329 1
1 1253 . 14 2 2 B 23 23 LEU HA H 72 4.132 4.066 0.066 1
1 1263 . 14 2 2 B 23 23 LEU CA C 72 56.786 57.741 -0.955 1
1 1264 . 14 2 2 B 23 23 LEU CB C 72 42.270 41.878 0.392 1
1 1268 . 14 2 2 B 23 23 LEU N N 72 119.633 126.770 -7.137 1
1 1269 . 14 2 2 B 24 24 ALA H H 73 7.464 8.311 -0.847 1
1 1270 . 14 2 2 B 24 24 ALA HA H 73 4.197 4.076 0.121 1
1 1274 . 14 2 2 B 24 24 ALA CA C 73 84.840 55.569 29.271 1
1 1275 . 14 2 2 B 24 24 ALA CB C 73 19.266 18.282 0.984 1
1 1276 . 14 2 2 B 24 24 ALA N N 73 120.682 121.230 -0.548 1
1 1277 . 14 2 2 B 25 25 VAL H H 74 7.668 7.403 0.265 1
1 1278 . 14 2 2 B 25 25 VAL HA H 74 4.258 4.002 0.256 1
1 1286 . 14 2 2 B 25 25 VAL CA C 74 62.434 64.484 -2.050 1
1 1287 . 14 2 2 B 25 25 VAL CB C 74 31.672 31.359 0.313 1
1 1290 . 14 2 2 B 25 25 VAL N N 74 112.530 116.598 -4.068 1
1 1291 . 14 2 2 B 26 26 GLN H H 75 7.806 7.903 -0.097 1
1 1292 . 14 2 2 B 26 26 GLN HA H 75 4.308 4.509 -0.201 1
1 1299 . 14 2 2 B 26 26 GLN CA C 75 56.786 55.255 1.531 1
1 1300 . 14 2 2 B 26 26 GLN CB C 75 29.554 30.436 -0.882 1
1 1302 . 14 2 2 B 26 26 GLN N N 75 121.794 119.565 2.229 1
1 1304 . 14 2 2 B 27 27 GLU H H 76 8.340 7.409 0.931 1
1 1305 . 14 2 2 B 27 27 GLU HA H 76 4.349 4.713 -0.364 1
1 1310 . 14 2 2 B 27 27 GLU CA C 76 56.315 54.984 1.331 1
1 1311 . 14 2 2 B 27 27 GLU CB C 76 30.495 33.312 -2.817 1
1 1313 . 14 2 2 B 27 27 GLU N N 76 120.410 121.029 -0.619 1
1 1314 . 14 2 2 B 28 28 GLY H H 77 8.295 8.519 -0.224 1
1 1315 . 14 2 2 B 28 28 GLY HA2 H 77 3.938 4.381 -0.443 1
1 1316 . 14 2 2 B 28 28 GLY HA3 H 77 4.190 4.389 -0.199 1
1 1317 . 14 2 2 B 28 28 GLY CA C 77 45.792 45.238 0.554 1
1 1318 . 14 2 2 B 28 28 GLY N N 77 109.255 108.839 0.416 1
1 1319 . 14 2 2 B 29 29 ILE H H 78 7.889 8.776 -0.887 1
1 1320 . 14 2 2 B 29 29 ILE HA H 78 4.166 4.763 -0.597 1
1 1330 . 14 2 2 B 29 29 ILE CA C 78 60.786 60.324 0.462 1
1 1331 . 14 2 2 B 29 29 ILE CB C 78 39.203 40.233 -1.030 1
1 1335 . 14 2 2 B 29 29 ILE N N 78 119.126 121.554 -2.428 1
1 1336 . 14 2 2 B 30 30 ASP H H 79 8.442 9.233 -0.791 1
1 1337 . 14 2 2 B 30 30 ASP HA H 79 4.577 4.792 -0.215 1
1 1340 . 14 2 2 B 30 30 ASP CA C 79 55.255 53.529 1.726 1
1 1341 . 14 2 2 B 30 30 ASP CB C 79 41.850 38.829 3.021 1
1 1342 . 14 2 2 B 30 30 ASP N N 79 123.665 129.510 -5.845 1
1 1343 . 14 2 2 B 31 31 LEU H H 80 8.141 7.688 0.453 1
1 1344 . 14 2 2 B 31 31 LEU HA H 80 4.292 4.023 0.269 1
1 1354 . 14 2 2 B 31 31 LEU CA C 80 55.205 57.523 -2.318 1
1 1355 . 14 2 2 B 31 31 LEU CB C 80 42.262 42.000 0.262 1
1 1359 . 14 2 2 B 31 31 LEU N N 80 122.359 121.808 0.551 1
1 1360 . 14 2 2 B 32 32 LEU H H 81 8.840 8.139 0.701 1
1 1361 . 14 2 2 B 32 32 LEU HA H 81 4.256 4.282 -0.026 1
1 1371 . 14 2 2 B 32 32 LEU CA C 81 54.903 57.597 -2.694 1
1 1372 . 14 2 2 B 32 32 LEU CB C 81 42.497 41.625 0.872 1
1 1376 . 14 2 2 B 32 32 LEU N N 81 120.762 118.673 2.089 1
1 1377 . 14 2 2 B 33 33 THR H H 82 7.728 7.972 -0.244 1
1 1378 . 14 2 2 B 33 33 THR HA H 82 4.226 4.066 0.160 1
1 1383 . 14 2 2 B 33 33 THR CA C 82 61.220 64.870 -3.650 1
1 1384 . 14 2 2 B 33 33 THR CB C 82 69.494 68.945 0.549 1
1 1386 . 14 2 2 B 33 33 THR N N 82 113.606 114.066 -0.460 1
1 1387 . 14 2 2 B 34 34 PHE H H 83 8.181 7.945 0.236 1
1 1388 . 14 2 2 B 34 34 PHE HA H 83 4.825 4.602 0.223 1
1 1395 . 14 2 2 B 34 34 PHE CA C 83 55.138 56.131 -0.993 1
1 1396 . 14 2 2 B 34 34 PHE CB C 83 39.203 38.862 0.341 1
1 1399 . 14 2 2 B 34 34 PHE N N 83 123.600 118.307 5.293 1
1 1400 . 14 2 2 B 35 35 PRO HA H 84 4.765 4.444 0.321 1
1 1407 . 14 2 2 B 35 35 PRO CA C 84 62.900 61.647 1.253 1
1 1408 . 14 2 2 B 35 35 PRO CB C 84 32.538 32.218 0.320 1
1 1411 . 14 2 2 B 36 36 PRO HA H 85 4.422 4.070 0.352 1
1 1418 . 14 2 2 B 36 36 PRO CA C 85 62.434 64.822 -2.388 1
1 1419 . 14 2 2 B 36 36 PRO CB C 85 32.143 31.910 0.233 1
1 1422 . 14 2 2 B 37 37 ALA H H 86 8.370 7.077 1.293 1
1 1423 . 14 2 2 B 37 37 ALA HA H 86 4.429 4.845 -0.416 1
1 1427 . 14 2 2 B 37 37 ALA CA C 86 50.263 50.022 0.241 1
1 1428 . 14 2 2 B 37 37 ALA CB C 86 19.972 21.523 -1.551 1
1 1429 . 14 2 2 B 37 37 ALA N N 86 125.277 116.468 8.809 1
1 1430 . 14 2 2 B 38 38 PRO HA H 87 4.388 4.504 -0.116 1
1 1437 . 14 2 2 B 38 38 PRO CA C 87 63.140 63.866 -0.726 1
1 1438 . 14 2 2 B 38 38 PRO CB C 87 32.143 31.947 0.196 1
1 1441 . 14 2 2 B 39 39 GLY H H 88 8.503 7.415 1.088 1
1 1442 . 14 2 2 B 39 39 GLY HA2 H 88 3.895 4.037 -0.142 1
1 1443 . 14 2 2 B 39 39 GLY HA3 H 88 3.981 4.038 -0.057 1
1 1444 . 14 2 2 B 39 39 GLY CA C 88 74.671 45.343 29.328 1
1 1445 . 14 2 2 B 39 39 GLY N N 88 109.831 104.363 5.468 1
1 1446 . 14 2 2 B 40 40 SER H H 89 8.800 8.482 0.318 1
1 1447 . 14 2 2 B 40 40 SER HA H 89 4.748 4.490 0.258 1
1 1450 . 14 2 2 B 40 40 SER CA C 89 56.800 56.997 -0.197 1
1 1451 . 14 2 2 B 40 40 SER CB C 89 63.140 63.347 -0.207 1
1 1452 . 14 2 2 B 40 40 SER N N 89 116.937 116.992 -0.055 1
1 1453 . 14 2 2 B 41 41 PRO HA H 90 4.441 4.478 -0.037 1
1 1460 . 14 2 2 B 41 41 PRO CA C 90 63.140 64.112 -0.972 1
1 1461 . 14 2 2 B 41 41 PRO CB C 90 32.143 31.934 0.209 1
1 6 . 15 1 1 A 2 2 PRO HA H 1765 4.433 4.412 0.021 1
1 13 . 15 1 1 A 2 2 PRO CA C 1765 64.810 64.550 0.260 1
1 14 . 15 1 1 A 2 2 PRO CB C 1765 31.907 32.140 -0.233 1
1 17 . 15 1 1 A 3 3 GLN H H 1766 8.442 7.851 0.591 1
1 18 . 15 1 1 A 3 3 GLN HA H 1766 3.889 4.114 -0.225 1
1 25 . 15 1 1 A 3 3 GLN CA C 1766 59.103 59.049 0.054 1
1 26 . 15 1 1 A 3 3 GLN CB C 1766 28.595 28.340 0.255 1
1 28 . 15 1 1 A 3 3 GLN N N 1766 115.685 117.629 -1.944 1
1 30 . 15 1 1 A 4 4 GLU H H 1767 8.161 7.724 0.437 1
1 31 . 15 1 1 A 4 4 GLU HA H 1767 4.197 4.082 0.115 1
1 36 . 15 1 1 A 4 4 GLU CA C 1767 57.727 59.387 -1.660 1
1 37 . 15 1 1 A 4 4 GLU CB C 1767 30.250 29.111 1.139 1
1 39 . 15 1 1 A 4 4 GLU N N 1767 121.941 120.122 1.819 1
1 40 . 15 1 1 A 5 5 SER H H 1768 8.291 8.453 -0.162 1
1 41 . 15 1 1 A 5 5 SER HA H 1768 4.280 4.185 0.095 1
1 44 . 15 1 1 A 5 5 SER CA C 1768 60.800 61.160 -0.360 1
1 45 . 15 1 1 A 5 5 SER CB C 1768 63.435 62.628 0.807 1
1 46 . 15 1 1 A 5 5 SER N N 1768 116.360 115.818 0.542 1
1 47 . 15 1 1 A 6 6 ARG H H 1769 7.935 7.547 0.388 1
1 48 . 15 1 1 A 6 6 ARG HA H 1769 4.120 3.948 0.172 1
1 52 . 15 1 1 A 6 6 ARG N N 1769 122.139 122.037 0.102 1
1 53 . 15 1 1 A 7 7 ARG H H 1770 7.952 7.805 0.147 1
1 54 . 15 1 1 A 7 7 ARG HA H 1770 3.939 4.037 -0.098 1
1 61 . 15 1 1 A 7 7 ARG N N 1770 119.527 119.212 0.315 1
1 62 . 15 1 1 A 8 8 LEU H H 1771 8.120 8.189 -0.069 1
1 63 . 15 1 1 A 8 8 LEU HA H 1771 4.188 4.105 0.083 1
1 73 . 15 1 1 A 8 8 LEU CA C 1771 56.786 57.703 -0.917 1
1 74 . 15 1 1 A 8 8 LEU CB C 1771 41.556 41.690 -0.134 1
1 78 . 15 1 1 A 8 8 LEU N N 1771 120.237 120.163 0.074 1
1 79 . 15 1 1 A 9 9 SER H H 1772 8.860 8.143 0.717 1
1 80 . 15 1 1 A 9 9 SER HA H 1772 4.224 4.051 0.173 1
1 83 . 15 1 1 A 9 9 SER CA C 1772 61.728 62.310 -0.582 1
1 84 . 15 1 1 A 9 9 SER CB C 1772 62.198 63.167 -0.969 1
1 85 . 15 1 1 A 9 9 SER N N 1772 116.214 113.593 2.621 1
1 86 . 15 1 1 A 10 10 ILE H H 1773 8.133 8.131 0.002 1
1 87 . 15 1 1 A 10 10 ILE HA H 1773 3.510 3.724 -0.214 1
1 97 . 15 1 1 A 10 10 ILE CA C 1773 64.787 64.349 0.438 1
1 98 . 15 1 1 A 10 10 ILE CB C 1773 38.732 37.063 1.669 1
1 102 . 15 1 1 A 10 10 ILE N N 1773 122.927 121.114 1.813 1
1 103 . 15 1 1 A 11 11 GLN H H 1774 8.250 7.930 0.320 1
1 104 . 15 1 1 A 11 11 GLN HA H 1774 3.980 4.086 -0.106 1
1 111 . 15 1 1 A 11 11 GLN CA C 1774 58.900 58.768 0.132 1
1 113 . 15 1 1 A 11 11 GLN N N 1774 118.893 119.765 -0.872 1
1 115 . 15 1 1 A 12 12 ARG H H 1775 8.272 8.078 0.194 1
1 116 . 15 1 1 A 12 12 ARG HA H 1775 4.168 4.062 0.106 1
1 123 . 15 1 1 A 12 12 ARG CA C 1775 57.730 59.530 -1.800 1
1 126 . 15 1 1 A 12 12 ARG N N 1775 119.560 119.369 0.191 1
1 127 . 15 1 1 A 13 13 CYS HA H 1776 4.176 4.137 0.039 1
1 130 . 15 1 1 A 13 13 CYS CA C 1776 63.610 62.259 1.351 1
1 131 . 15 1 1 A 13 13 CYS CB C 1776 26.965 26.936 0.029 1
1 132 . 15 1 1 A 14 14 ILE H H 1777 8.597 8.294 0.303 1
1 133 . 15 1 1 A 14 14 ILE HA H 1777 3.735 3.629 0.106 1
1 143 . 15 1 1 A 14 14 ILE CA C 1777 65.220 65.206 0.014 1
1 144 . 15 1 1 A 14 14 ILE CB C 1777 37.320 37.498 -0.178 1
1 148 . 15 1 1 A 14 14 ILE N N 1777 120.174 119.455 0.719 1
1 149 . 15 1 1 A 15 15 GLN H H 1778 8.105 8.271 -0.166 1
1 150 . 15 1 1 A 15 15 GLN HA H 1778 4.700 4.027 0.673 1
1 157 . 15 1 1 A 15 15 GLN CA C 1778 59.139 58.971 0.168 1
1 158 . 15 1 1 A 15 15 GLN CB C 1778 28.377 28.815 -0.438 1
1 160 . 15 1 1 A 15 15 GLN N N 1778 119.677 119.658 0.019 1
1 162 . 15 1 1 A 16 16 SER H H 1779 8.115 7.709 0.406 1
1 163 . 15 1 1 A 16 16 SER HA H 1779 4.407 4.231 0.176 1
1 166 . 15 1 1 A 16 16 SER CA C 1779 61.963 62.126 -0.163 1
1 167 . 15 1 1 A 16 16 SER CB C 1779 63.425 62.825 0.600 1
1 168 . 15 1 1 A 16 16 SER N N 1779 116.542 116.538 0.004 1
1 169 . 15 1 1 A 17 17 LEU H H 1780 8.496 8.100 0.396 1
1 170 . 15 1 1 A 17 17 LEU HA H 1780 3.970 4.060 -0.090 1
1 180 . 15 1 1 A 17 17 LEU CA C 1780 58.286 58.150 0.136 1
1 181 . 15 1 1 A 17 17 LEU CB C 1780 42.262 41.773 0.489 1
1 185 . 15 1 1 A 17 17 LEU N N 1780 124.870 122.966 1.904 1
1 186 . 15 1 1 A 18 18 VAL H H 1781 8.540 8.188 0.352 1
1 187 . 15 1 1 A 18 18 VAL HA H 1781 3.246 3.527 -0.281 1
1 195 . 15 1 1 A 18 18 VAL CA C 1781 66.905 66.653 0.252 1
1 196 . 15 1 1 A 18 18 VAL CB C 1781 31.672 31.663 0.009 1
1 199 . 15 1 1 A 18 18 VAL N N 1781 119.345 119.114 0.231 1
1 200 . 15 1 1 A 19 19 HIS H H 1782 7.944 8.166 -0.222 1
1 201 . 15 1 1 A 19 19 HIS HA H 1782 4.191 4.095 0.096 1
1 206 . 15 1 1 A 19 19 HIS CA C 1782 59.845 60.233 -0.388 1
1 207 . 15 1 1 A 19 19 HIS CB C 1782 26.965 29.828 -2.863 1
1 210 . 15 1 1 A 19 19 HIS N N 1782 116.521 119.192 -2.671 1
1 211 . 15 1 1 A 20 20 ALA H H 1783 9.830 8.518 1.312 1
1 212 . 15 1 1 A 20 20 ALA HA H 1783 4.367 4.042 0.325 1
1 216 . 15 1 1 A 20 20 ALA CA C 1783 55.191 55.111 0.080 1
1 217 . 15 1 1 A 20 20 ALA CB C 1783 20.695 18.405 2.290 1
1 218 . 15 1 1 A 20 20 ALA N N 1783 121.753 120.415 1.338 1
1 219 . 15 1 1 A 21 21 CYS H H 1784 7.913 7.773 0.140 1
1 220 . 15 1 1 A 21 21 CYS HA H 1784 4.236 4.292 -0.056 1
1 223 . 15 1 1 A 21 21 CYS CA C 1784 61.963 61.011 0.952 1
1 224 . 15 1 1 A 21 21 CYS CB C 1784 26.965 27.134 -0.169 1
1 225 . 15 1 1 A 21 21 CYS N N 1784 112.237 115.541 -3.304 1
1 226 . 15 1 1 A 22 22 GLN H H 1785 7.320 8.097 -0.777 1
1 227 . 15 1 1 A 22 22 GLN HA H 1785 4.475 4.423 0.052 1
1 234 . 15 1 1 A 22 22 GLN CA C 1785 54.970 55.399 -0.429 1
1 235 . 15 1 1 A 22 22 GLN CB C 1785 30.731 29.750 0.981 1
1 237 . 15 1 1 A 22 22 GLN N N 1785 115.939 115.504 0.435 1
1 239 . 15 1 1 A 23 23 CYS H H 1786 7.268 7.389 -0.121 1
1 240 . 15 1 1 A 23 23 CYS HA H 1786 3.898 4.077 -0.179 1
1 243 . 15 1 1 A 23 23 CYS CA C 1786 60.800 59.992 0.808 1
1 244 . 15 1 1 A 23 23 CYS CB C 1786 28.848 28.639 0.209 1
1 245 . 15 1 1 A 23 23 CYS N N 1786 124.452 119.785 4.667 1
1 246 . 15 1 1 A 24 24 ARG H H 1787 8.854 8.774 0.080 1
1 247 . 15 1 1 A 24 24 ARG HA H 1787 4.539 4.192 0.347 1
1 254 . 15 1 1 A 24 24 ARG CA C 1787 54.735 58.294 -3.559 1
1 255 . 15 1 1 A 24 24 ARG CB C 1787 30.250 30.452 -0.202 1
1 258 . 15 1 1 A 24 24 ARG N N 1787 130.523 128.048 2.475 1
1 259 . 15 1 1 A 25 25 ASN H H 1788 7.553 7.839 -0.286 1
1 260 . 15 1 1 A 25 25 ASN HA H 1788 4.799 4.989 -0.190 1
1 265 . 15 1 1 A 25 25 ASN CA C 1788 51.911 51.706 0.205 1
1 266 . 15 1 1 A 25 25 ASN CB C 1788 39.203 39.639 -0.436 1
1 267 . 15 1 1 A 25 25 ASN N N 1788 119.613 118.382 1.231 1
1 269 . 15 1 1 A 26 26 ALA H H 1789 9.185 8.996 0.189 1
1 270 . 15 1 1 A 26 26 ALA HA H 1789 4.740 4.024 0.716 1
1 274 . 15 1 1 A 26 26 ALA CA C 1789 54.264 54.834 -0.570 1
1 275 . 15 1 1 A 26 26 ALA CB C 1789 18.796 18.461 0.335 1
1 276 . 15 1 1 A 26 26 ALA N N 1789 130.841 128.936 1.905 1
1 277 . 15 1 1 A 27 27 ASN H H 1790 8.520 7.701 0.819 1
1 278 . 15 1 1 A 27 27 ASN HA H 1790 4.761 4.821 -0.060 1
1 283 . 15 1 1 A 27 27 ASN CA C 1790 51.911 53.514 -1.603 1
1 284 . 15 1 1 A 27 27 ASN CB C 1790 38.967 39.176 -0.209 1
1 285 . 15 1 1 A 27 27 ASN N N 1790 113.345 113.863 -0.518 1
1 287 . 15 1 1 A 28 28 CYS H H 1791 7.224 7.345 -0.121 1
1 288 . 15 1 1 A 28 28 CYS HA H 1791 4.950 4.265 0.685 1
1 291 . 15 1 1 A 28 28 CYS CA C 1791 61.257 60.021 1.236 1
1 292 . 15 1 1 A 28 28 CYS CB C 1791 30.495 28.446 2.049 1
1 293 . 15 1 1 A 28 28 CYS N N 1791 123.463 120.561 2.902 1
1 294 . 15 1 1 A 29 29 SER H H 1792 8.811 8.844 -0.033 1
1 295 . 15 1 1 A 29 29 SER HA H 1792 4.449 4.393 0.056 1
1 298 . 15 1 1 A 29 29 SER CA C 1792 57.492 60.072 -2.580 1
1 299 . 15 1 1 A 29 29 SER CB C 1792 63.835 63.304 0.531 1
1 300 . 15 1 1 A 29 29 SER N N 1792 125.781 122.940 2.841 1
1 301 . 15 1 1 A 30 30 LEU H H 1793 7.851 7.292 0.559 1
1 302 . 15 1 1 A 30 30 LEU HA H 1793 4.507 4.367 0.140 1
1 312 . 15 1 1 A 30 30 LEU CA C 1793 53.558 53.173 0.385 1
1 313 . 15 1 1 A 30 30 LEU CB C 1793 42.270 43.172 -0.902 1
1 317 . 15 1 1 A 30 30 LEU N N 1793 125.656 124.429 1.227 1
1 318 . 15 1 1 A 31 31 PRO HA H 1794 4.363 4.256 0.107 1
1 325 . 15 1 1 A 31 31 PRO CA C 1794 64.787 65.495 -0.708 1
1 326 . 15 1 1 A 31 31 PRO CB C 1794 32.708 31.695 1.013 1
1 329 . 15 1 1 A 32 32 SER H H 1795 8.625 8.229 0.396 1
1 330 . 15 1 1 A 32 32 SER HA H 1795 4.309 4.202 0.107 1
1 332 . 15 1 1 A 32 32 SER CA C 1795 60.124 61.523 -1.399 1
1 333 . 15 1 1 A 32 32 SER CB C 1795 62.982 62.693 0.289 1
1 334 . 15 1 1 A 32 32 SER N N 1795 112.707 112.847 -0.140 1
1 335 . 15 1 1 A 33 33 CYS H H 1796 6.679 8.086 -1.407 1
1 336 . 15 1 1 A 33 33 CYS HA H 1796 4.108 3.972 0.136 1
1 339 . 15 1 1 A 33 33 CYS CA C 1796 62.669 62.715 -0.046 1
1 340 . 15 1 1 A 33 33 CYS CB C 1796 30.495 26.325 4.170 1
1 341 . 15 1 1 A 33 33 CYS N N 1796 126.200 121.179 5.021 1
1 342 . 15 1 1 A 34 34 GLN H H 1797 7.870 8.169 -0.299 1
1 343 . 15 1 1 A 34 34 GLN HA H 1797 3.867 3.921 -0.054 1
1 350 . 15 1 1 A 34 34 GLN CA C 1797 59.140 59.246 -0.106 1
1 351 . 15 1 1 A 34 34 GLN CB C 1797 31.360 27.963 3.397 1
1 353 . 15 1 1 A 34 34 GLN N N 1797 115.529 119.256 -3.727 1
1 355 . 15 1 1 A 35 35 LYS H H 1798 8.340 7.439 0.901 1
1 356 . 15 1 1 A 35 35 LYS HA H 1798 4.240 4.040 0.200 1
1 365 . 15 1 1 A 35 35 LYS CA C 1798 58.904 59.358 -0.454 1
1 366 . 15 1 1 A 35 35 LYS CB C 1798 32.686 32.294 0.392 1
1 370 . 15 1 1 A 35 35 LYS N N 1798 117.144 119.264 -2.120 1
1 371 . 15 1 1 A 36 36 MET H H 1799 8.163 8.219 -0.056 1
1 372 . 15 1 1 A 36 36 MET HA H 1799 4.369 4.061 0.308 1
1 380 . 15 1 1 A 36 36 MET CA C 1799 56.474 58.755 -2.281 1
1 381 . 15 1 1 A 36 36 MET CB C 1799 31.110 32.114 -1.004 1
1 384 . 15 1 1 A 36 36 MET N N 1799 117.485 118.957 -1.472 1
1 385 . 15 1 1 A 37 37 LYS H H 1800 9.337 8.220 1.117 1
1 386 . 15 1 1 A 37 37 LYS HA H 1800 3.840 3.990 -0.150 1
1 395 . 15 1 1 A 37 37 LYS CA C 1800 61.200 59.887 1.313 1
1 396 . 15 1 1 A 37 37 LYS CB C 1800 32.691 32.321 0.370 1
1 400 . 15 1 1 A 37 37 LYS N N 1800 120.830 119.136 1.694 1
1 401 . 15 1 1 A 38 38 ARG H H 1801 7.399 7.437 -0.038 1
1 402 . 15 1 1 A 38 38 ARG HA H 1801 4.490 4.102 0.388 1
1 409 . 15 1 1 A 38 38 ARG CA C 1801 59.263 59.237 0.026 1
1 410 . 15 1 1 A 38 38 ARG CB C 1801 31.179 29.917 1.262 1
1 413 . 15 1 1 A 38 38 ARG N N 1801 118.965 119.448 -0.483 1
1 414 . 15 1 1 A 39 39 VAL H H 1802 8.420 7.414 1.006 1
1 415 . 15 1 1 A 39 39 VAL HA H 1802 3.239 3.613 -0.374 1
1 423 . 15 1 1 A 39 39 VAL CA C 1802 67.140 66.267 0.873 1
1 424 . 15 1 1 A 39 39 VAL CB C 1802 31.685 31.627 0.058 1
1 427 . 15 1 1 A 39 39 VAL N N 1802 123.140 119.443 3.697 1
1 428 . 15 1 1 A 40 40 VAL H H 1803 8.195 8.271 -0.076 1
1 429 . 15 1 1 A 40 40 VAL HA H 1803 3.403 3.830 -0.427 1
1 437 . 15 1 1 A 40 40 VAL CA C 1803 66.905 65.253 1.652 1
1 438 . 15 1 1 A 40 40 VAL CB C 1803 31.907 31.174 0.733 1
1 441 . 15 1 1 A 40 40 VAL N N 1803 118.716 120.149 -1.433 1
1 442 . 15 1 1 A 41 41 GLN H H 1804 8.310 7.982 0.328 1
1 443 . 15 1 1 A 41 41 GLN HA H 1804 3.916 4.091 -0.175 1
1 450 . 15 1 1 A 41 41 GLN CA C 1804 58.591 58.802 -0.211 1
1 451 . 15 1 1 A 41 41 GLN CB C 1804 28.561 28.760 -0.199 1
1 453 . 15 1 1 A 41 41 GLN N N 1804 119.193 122.155 -2.962 1
1 455 . 15 1 1 A 42 42 HIS H H 1805 8.152 7.816 0.336 1
1 456 . 15 1 1 A 42 42 HIS HA H 1805 4.222 4.296 -0.074 1
1 461 . 15 1 1 A 42 42 HIS CA C 1805 59.139 59.360 -0.221 1
1 462 . 15 1 1 A 42 42 HIS CB C 1805 27.201 30.226 -3.025 1
1 465 . 15 1 1 A 42 42 HIS N N 1805 118.579 121.984 -3.405 1
1 466 . 15 1 1 A 43 43 THR H H 1806 7.997 8.243 -0.246 1
1 467 . 15 1 1 A 43 43 THR HA H 1806 3.888 4.100 -0.212 1
1 473 . 15 1 1 A 43 43 THR CA C 1806 65.728 65.437 0.291 1
1 474 . 15 1 1 A 43 43 THR CB C 1806 69.023 68.956 0.067 1
1 476 . 15 1 1 A 43 43 THR N N 1806 113.599 113.806 -0.207 1
1 477 . 15 1 1 A 44 44 LYS H H 1807 7.381 8.794 -1.413 1
1 478 . 15 1 1 A 44 44 LYS HA H 1807 4.190 4.200 -0.010 1
1 487 . 15 1 1 A 44 44 LYS CA C 1807 58.668 58.347 0.321 1
1 488 . 15 1 1 A 44 44 LYS CB C 1807 32.731 31.366 1.365 1
1 492 . 15 1 1 A 44 44 LYS N N 1807 120.270 119.423 0.847 1
1 493 . 15 1 1 A 45 45 GLY H H 1808 7.610 7.824 -0.214 1
1 494 . 15 1 1 A 45 45 GLY HA2 H 1808 3.610 4.055 -0.445 1
1 495 . 15 1 1 A 45 45 GLY HA3 H 1808 4.380 4.068 0.312 1
1 496 . 15 1 1 A 45 45 GLY CA C 1808 44.851 45.369 -0.518 1
1 497 . 15 1 1 A 45 45 GLY N N 1808 125.480 106.680 18.800 1
1 498 . 15 1 1 A 46 46 CYS H H 1809 6.898 7.471 -0.573 1
1 499 . 15 1 1 A 46 46 CYS HA H 1809 3.957 4.190 -0.233 1
1 502 . 15 1 1 A 46 46 CYS CA C 1809 60.551 59.552 0.999 1
1 503 . 15 1 1 A 46 46 CYS CB C 1809 30.260 28.878 1.382 1
1 504 . 15 1 1 A 46 46 CYS N N 1809 123.457 119.916 3.541 1
1 505 . 15 1 1 A 47 47 LYS HA H 1810 4.471 4.018 0.453 1
1 514 . 15 1 1 A 47 47 LYS CA C 1810 56.800 58.593 -1.793 1
1 515 . 15 1 1 A 47 47 LYS CB C 1810 33.840 32.566 1.274 1
1 518 . 15 1 1 A 48 48 ARG H H 1811 8.575 7.469 1.106 1
1 519 . 15 1 1 A 48 48 ARG HA H 1811 4.366 4.351 0.015 1
1 526 . 15 1 1 A 48 48 ARG CA C 1811 57.256 57.969 -0.713 1
1 527 . 15 1 1 A 48 48 ARG CB C 1811 32.143 31.955 0.188 1
1 530 . 15 1 1 A 48 48 ARG N N 1811 122.731 119.415 3.316 1
1 531 . 15 1 1 A 49 49 LYS H H 1812 8.663 7.740 0.923 1
1 532 . 15 1 1 A 49 49 LYS HA H 1812 4.521 4.357 0.164 1
1 539 . 15 1 1 A 49 49 LYS CA C 1812 57.256 57.911 -0.655 1
1 540 . 15 1 1 A 49 49 LYS CB C 1812 32.378 32.236 0.142 1
1 543 . 15 1 1 A 49 49 LYS N N 1812 118.409 119.255 -0.846 1
1 544 . 15 1 1 A 50 50 THR HA H 1813 4.710 3.949 0.761 1
1 549 . 15 1 1 A 50 50 THR CA C 1813 63.846 65.825 -1.979 1
1 550 . 15 1 1 A 50 50 THR CB C 1813 68.317 68.189 0.128 1
1 552 . 15 1 1 A 51 51 ASN HA H 1814 4.676 4.381 0.295 1
1 557 . 15 1 1 A 51 51 ASN CA C 1814 82.908 56.304 26.604 1
1 558 . 15 1 1 A 51 51 ASN CB C 1814 38.732 38.871 -0.139 1
1 560 . 15 1 1 A 52 52 GLY H H 1815 7.879 7.633 0.246 1
1 561 . 15 1 1 A 52 52 GLY HA2 H 1815 4.300 3.982 0.318 1
1 562 . 15 1 1 A 52 52 GLY HA3 H 1815 3.831 3.986 -0.155 1
1 563 . 15 1 1 A 52 52 GLY CA C 1815 45.557 45.266 0.291 1
1 564 . 15 1 1 A 52 52 GLY N N 1815 129.890 105.461 24.429 1
1 565 . 15 1 1 A 53 53 GLY H H 1816 7.765 7.751 0.014 1
1 566 . 15 1 1 A 53 53 GLY HA2 H 1816 3.885 3.969 -0.084 1
1 567 . 15 1 1 A 53 53 GLY HA3 H 1816 3.985 3.971 0.014 1
1 568 . 15 1 1 A 53 53 GLY CA C 1816 45.792 45.650 0.142 1
1 569 . 15 1 1 A 53 53 GLY N N 1816 128.949 107.554 21.395 1
1 570 . 15 1 1 A 54 54 CYS H H 1817 8.800 8.140 0.660 1
1 571 . 15 1 1 A 54 54 CYS HA H 1817 4.821 4.596 0.225 1
1 574 . 15 1 1 A 54 54 CYS CA C 1817 55.138 57.440 -2.302 1
1 575 . 15 1 1 A 54 54 CYS CB C 1817 30.966 29.003 1.963 1
1 576 . 15 1 1 A 54 54 CYS N N 1817 122.429 119.466 2.963 1
1 577 . 15 1 1 A 55 55 PRO HA H 1818 4.330 4.347 -0.017 1
1 584 . 15 1 1 A 55 55 PRO CA C 1818 64.787 65.602 -0.815 1
1 585 . 15 1 1 A 55 55 PRO CB C 1818 32.613 31.721 0.892 1
1 588 . 15 1 1 A 56 56 VAL H H 1819 7.750 7.461 0.289 1
1 589 . 15 1 1 A 56 56 VAL HA H 1819 3.884 3.520 0.364 1
1 597 . 15 1 1 A 56 56 VAL CA C 1819 65.728 66.361 -0.633 1
1 598 . 15 1 1 A 56 56 VAL CB C 1819 32.849 31.126 1.723 1
1 601 . 15 1 1 A 56 56 VAL N N 1819 121.605 115.171 6.434 1
1 602 . 15 1 1 A 57 57 CYS H H 1820 8.884 8.107 0.777 1
1 603 . 15 1 1 A 57 57 CYS HA H 1820 4.106 3.916 0.190 1
1 606 . 15 1 1 A 57 57 CYS CA C 1820 65.728 63.756 1.972 1
1 607 . 15 1 1 A 57 57 CYS CB C 1820 30.250 27.142 3.108 1
1 608 . 15 1 1 A 57 57 CYS N N 1820 124.260 117.504 6.756 1
1 609 . 15 1 1 A 58 58 LYS H H 1821 8.133 7.732 0.401 1
1 610 . 15 1 1 A 58 58 LYS HA H 1821 3.942 3.819 0.123 1
1 619 . 15 1 1 A 58 58 LYS CA C 1821 59.610 59.720 -0.110 1
1 620 . 15 1 1 A 58 58 LYS CB C 1821 32.849 32.437 0.412 1
1 624 . 15 1 1 A 58 58 LYS N N 1821 117.129 120.938 -3.809 1
1 625 . 15 1 1 A 59 59 GLN H H 1822 7.318 7.953 -0.635 1
1 626 . 15 1 1 A 59 59 GLN HA H 1822 4.357 3.966 0.391 1
1 632 . 15 1 1 A 59 59 GLN N N 1822 117.943 118.536 -0.593 1
1 633 . 15 1 1 A 60 60 LEU H H 1823 8.667 7.689 0.978 1
1 634 . 15 1 1 A 60 60 LEU HA H 1823 4.950 3.980 0.970 1
1 647 . 15 1 1 A 60 60 LEU N N 1823 120.670 120.642 0.028 1
1 648 . 15 1 1 A 61 61 ILE H H 1824 8.780 8.161 0.619 1
1 649 . 15 1 1 A 61 61 ILE HA H 1824 3.614 3.512 0.102 1
1 659 . 15 1 1 A 61 61 ILE CA C 1824 64.787 65.200 -0.413 1
1 660 . 15 1 1 A 61 61 ILE CB C 1824 37.320 36.699 0.621 1
1 664 . 15 1 1 A 61 61 ILE N N 1824 119.837 118.715 1.122 1
1 665 . 15 1 1 A 62 62 ALA H H 1825 7.675 8.439 -0.764 1
1 666 . 15 1 1 A 62 62 ALA HA H 1825 4.112 4.037 0.075 1
1 670 . 15 1 1 A 62 62 ALA CA C 1825 55.374 55.245 0.129 1
1 671 . 15 1 1 A 62 62 ALA CB C 1825 18.560 18.088 0.472 1
1 672 . 15 1 1 A 62 62 ALA N N 1825 122.779 122.866 -0.087 1
1 673 . 15 1 1 A 63 63 LEU H H 1826 7.983 7.731 0.252 1
1 674 . 15 1 1 A 63 63 LEU HA H 1826 4.114 4.080 0.034 1
1 684 . 15 1 1 A 63 63 LEU CA C 1826 58.334 57.846 0.488 1
1 685 . 15 1 1 A 63 63 LEU CB C 1826 42.821 41.117 1.704 1
1 689 . 15 1 1 A 63 63 LEU N N 1826 118.291 118.353 -0.062 1
1 690 . 15 1 1 A 64 64 CYS H H 1827 8.663 8.065 0.598 1
1 691 . 15 1 1 A 64 64 CYS HA H 1827 4.350 4.224 0.126 1
1 694 . 15 1 1 A 64 64 CYS CA C 1827 64.800 62.725 2.075 1
1 695 . 15 1 1 A 64 64 CYS CB C 1827 26.495 25.923 0.572 1
1 696 . 15 1 1 A 64 64 CYS N N 1827 118.409 117.754 0.655 1
1 697 . 15 1 1 A 65 65 CYS H H 1828 8.672 8.493 0.179 1
1 698 . 15 1 1 A 65 65 CYS HA H 1828 4.152 4.116 0.036 1
1 701 . 15 1 1 A 65 65 CYS CA C 1828 63.547 63.730 -0.183 1
1 702 . 15 1 1 A 65 65 CYS CB C 1828 26.495 27.418 -0.923 1
1 703 . 15 1 1 A 65 65 CYS N N 1828 118.996 119.416 -0.420 1
1 704 . 15 1 1 A 66 66 TYR H H 1829 7.837 8.416 -0.579 1
1 705 . 15 1 1 A 66 66 TYR HA H 1829 4.199 4.261 -0.062 1
1 712 . 15 1 1 A 66 66 TYR CA C 1829 61.220 61.845 -0.625 1
1 713 . 15 1 1 A 66 66 TYR CB C 1829 38.261 38.590 -0.329 1
1 716 . 15 1 1 A 66 66 TYR N N 1829 120.650 122.653 -2.003 1
1 717 . 15 1 1 A 67 67 HIS H H 1830 8.323 8.430 -0.107 1
1 718 . 15 1 1 A 67 67 HIS HA H 1830 4.341 4.380 -0.039 1
1 723 . 15 1 1 A 67 67 HIS CA C 1830 58.668 60.400 -1.732 1
1 724 . 15 1 1 A 67 67 HIS CB C 1830 27.907 29.903 -1.996 1
1 727 . 15 1 1 A 67 67 HIS N N 1830 117.149 119.360 -2.211 1
1 728 . 15 1 1 A 68 68 ALA H H 1831 8.693 8.519 0.174 1
1 729 . 15 1 1 A 68 68 ALA HA H 1831 4.250 4.031 0.219 1
1 733 . 15 1 1 A 68 68 ALA CA C 1831 55.205 55.354 -0.149 1
1 734 . 15 1 1 A 68 68 ALA CB C 1831 20.695 18.569 2.126 1
1 735 . 15 1 1 A 68 68 ALA N N 1831 121.519 120.862 0.657 1
1 736 . 15 1 1 A 69 69 LYS H H 1832 7.126 8.056 -0.930 1
1 737 . 15 1 1 A 69 69 LYS HA H 1832 3.737 4.021 -0.284 1
1 746 . 15 1 1 A 69 69 LYS CA C 1832 57.962 59.348 -1.386 1
1 747 . 15 1 1 A 69 69 LYS CB C 1832 32.613 31.675 0.938 1
1 751 . 15 1 1 A 69 69 LYS N N 1832 114.376 118.788 -4.412 1
1 752 . 15 1 1 A 70 70 HIS H H 1833 6.884 7.327 -0.443 1
1 753 . 15 1 1 A 70 70 HIS HA H 1833 4.711 4.351 0.360 1
1 758 . 15 1 1 A 70 70 HIS CA C 1833 54.970 57.809 -2.839 1
1 759 . 15 1 1 A 70 70 HIS CB C 1833 31.201 30.772 0.429 1
1 762 . 15 1 1 A 70 70 HIS N N 1833 113.369 114.466 -1.097 1
1 763 . 15 1 1 A 71 71 CYS H H 1834 6.969 7.514 -0.545 1
1 764 . 15 1 1 A 71 71 CYS HA H 1834 4.210 4.237 -0.027 1
1 767 . 15 1 1 A 71 71 CYS CA C 1834 60.800 59.981 0.819 1
1 768 . 15 1 1 A 71 71 CYS CB C 1834 30.250 28.223 2.027 1
1 769 . 15 1 1 A 71 71 CYS N N 1834 123.813 117.718 6.095 1
1 770 . 15 1 1 A 72 72 GLN H H 1835 9.101 8.800 0.301 1
1 771 . 15 1 1 A 72 72 GLN HA H 1835 4.646 4.594 0.052 1
1 778 . 15 1 1 A 72 72 GLN CA C 1835 54.735 55.583 -0.848 1
1 779 . 15 1 1 A 72 72 GLN CB C 1835 29.319 30.477 -1.158 1
1 781 . 15 1 1 A 72 72 GLN N N 1835 128.430 122.556 5.874 1
1 783 . 15 1 1 A 73 73 GLU H H 1836 8.331 7.281 1.050 1
1 784 . 15 1 1 A 73 73 GLU HA H 1836 4.365 4.320 0.045 1
1 788 . 15 1 1 A 73 73 GLU CA C 1836 55.374 56.568 -1.194 1
1 789 . 15 1 1 A 73 73 GLU CB C 1836 30.731 31.011 -0.280 1
1 791 . 15 1 1 A 73 73 GLU N N 1836 123.251 123.056 0.195 1
1 792 . 15 1 1 A 74 74 ASN HA H 1837 4.512 4.474 0.038 1
1 797 . 15 1 1 A 74 74 ASN CA C 1837 54.970 55.272 -0.302 1
1 798 . 15 1 1 A 74 74 ASN CB C 1837 38.732 38.367 0.365 1
1 800 . 15 1 1 A 75 75 LYS H H 1838 8.779 7.892 0.887 1
1 801 . 15 1 1 A 75 75 LYS HA H 1838 4.424 4.621 -0.197 1
1 810 . 15 1 1 A 75 75 LYS CA C 1838 54.735 54.986 -0.251 1
1 811 . 15 1 1 A 75 75 LYS CB C 1838 30.966 33.046 -2.080 1
1 815 . 15 1 1 A 75 75 LYS N N 1838 121.350 115.990 5.360 1
1 816 . 15 1 1 A 76 76 CYS H H 1839 7.590 6.865 0.725 1
1 817 . 15 1 1 A 76 76 CYS HA H 1839 4.361 4.409 -0.048 1
1 820 . 15 1 1 A 76 76 CYS CA C 1839 57.256 57.595 -0.339 1
1 821 . 15 1 1 A 76 76 CYS CB C 1839 30.731 28.268 2.463 1
1 822 . 15 1 1 A 76 76 CYS N N 1839 124.209 121.412 2.797 1
1 823 . 15 1 1 A 77 77 PRO HA H 1840 4.651 4.371 0.280 1
1 830 . 15 1 1 A 77 77 PRO CA C 1840 62.669 64.346 -1.677 1
1 831 . 15 1 1 A 77 77 PRO CB C 1840 32.849 31.944 0.905 1
1 834 . 15 1 1 A 78 78 VAL H H 1841 8.962 7.691 1.271 1
1 835 . 15 1 1 A 78 78 VAL HA H 1841 4.199 4.143 0.056 1
1 843 . 15 1 1 A 78 78 VAL CA C 1841 61.257 61.029 0.228 1
1 844 . 15 1 1 A 78 78 VAL CB C 1841 31.672 32.170 -0.498 1
1 847 . 15 1 1 A 78 78 VAL N N 1841 128.606 119.532 9.074 1
1 848 . 15 1 1 A 79 79 PRO HA H 1842 3.936 4.191 -0.255 1
1 855 . 15 1 1 A 79 79 PRO CA C 1842 63.846 65.512 -1.666 1
1 856 . 15 1 1 A 79 79 PRO CB C 1842 30.731 31.516 -0.785 1
1 859 . 15 1 1 A 80 80 PHE HA H 1843 4.255 4.191 0.064 1
1 866 . 15 1 1 A 80 80 PHE CA C 1843 59.374 60.540 -1.166 1
1 867 . 15 1 1 A 80 80 PHE CB C 1843 37.791 37.798 -0.007 1
1 870 . 15 1 1 A 81 81 CYS H H 1844 7.660 8.312 -0.652 1
1 871 . 15 1 1 A 81 81 CYS HA H 1844 3.997 4.210 -0.213 1
1 874 . 15 1 1 A 81 81 CYS CA C 1844 64.552 62.645 1.907 1
1 875 . 15 1 1 A 81 81 CYS CB C 1844 30.495 27.107 3.388 1
1 876 . 15 1 1 A 81 81 CYS N N 1844 124.104 118.420 5.684 1
1 877 . 15 1 1 A 82 82 LEU H H 1845 8.170 8.330 -0.160 1
1 878 . 15 1 1 A 82 82 LEU HA H 1845 3.988 3.966 0.022 1
1 888 . 15 1 1 A 82 82 LEU CA C 1845 57.962 58.148 -0.186 1
1 889 . 15 1 1 A 82 82 LEU CB C 1845 41.321 41.417 -0.096 1
1 893 . 15 1 1 A 82 82 LEU N N 1845 115.950 121.117 -5.167 1
1 894 . 15 1 1 A 83 83 ASN H H 1846 7.826 8.319 -0.493 1
1 895 . 15 1 1 A 83 83 ASN HA H 1846 4.447 4.446 0.001 1
1 900 . 15 1 1 A 83 83 ASN CA C 1846 56.800 56.917 -0.117 1
1 901 . 15 1 1 A 83 83 ASN CB C 1846 38.967 39.175 -0.208 1
1 902 . 15 1 1 A 83 83 ASN N N 1846 116.117 117.784 -1.667 1
1 904 . 15 1 1 A 84 84 ILE H H 1847 8.607 8.301 0.306 1
1 905 . 15 1 1 A 84 84 ILE HA H 1847 3.718 3.599 0.119 1
1 915 . 15 1 1 A 84 84 ILE CA C 1847 64.787 65.625 -0.838 1
1 916 . 15 1 1 A 84 84 ILE CB C 1847 38.497 37.964 0.533 1
1 920 . 15 1 1 A 84 84 ILE N N 1847 121.553 119.481 2.072 1
1 921 . 15 1 1 A 85 85 LYS H H 1848 8.855 8.199 0.656 1
1 922 . 15 1 1 A 85 85 LYS HA H 1848 3.859 3.946 -0.087 1
1 931 . 15 1 1 A 85 85 LYS CA C 1848 60.551 59.232 1.319 1
1 932 . 15 1 1 A 85 85 LYS CB C 1848 32.613 32.362 0.251 1
1 936 . 15 1 1 A 85 85 LYS N N 1848 119.992 118.983 1.009 1
1 937 . 15 1 1 A 86 86 HIS H H 1849 8.100 8.047 0.053 1
1 938 . 15 1 1 A 86 86 HIS HA H 1849 4.411 4.261 0.150 1
1 943 . 15 1 1 A 86 86 HIS CA C 1849 58.433 60.165 -1.732 1
1 944 . 15 1 1 A 86 86 HIS CB C 1849 30.495 29.939 0.556 1
1 947 . 15 1 1 A 86 86 HIS N N 1849 117.237 119.693 -2.456 1
1 948 . 15 1 1 A 87 87 LYS H H 1850 7.685 8.444 -0.759 1
1 949 . 15 1 1 A 87 87 LYS HA H 1850 4.128 3.901 0.227 1
1 958 . 15 1 1 A 87 87 LYS CA C 1850 57.727 59.221 -1.494 1
1 959 . 15 1 1 A 87 87 LYS CB C 1850 32.378 32.209 0.169 1
1 963 . 15 1 1 A 87 87 LYS N N 1850 119.118 117.940 1.178 1
1 964 . 15 1 1 A 88 88 LEU H H 1851 8.230 8.254 -0.024 1
1 965 . 15 1 1 A 88 88 LEU HA H 1851 4.174 4.137 0.037 1
1 975 . 15 1 1 A 88 88 LEU CA C 1851 56.800 57.680 -0.880 1
1 976 . 15 1 1 A 88 88 LEU CB C 1851 42.262 41.530 0.732 1
1 980 . 15 1 1 A 88 88 LEU N N 1851 119.305 120.286 -0.981 1
1 981 . 15 1 1 A 89 89 ARG H H 1852 7.765 8.237 -0.472 1
1 982 . 15 1 1 A 89 89 ARG HA H 1852 4.245 3.985 0.260 1
1 989 . 15 1 1 A 89 89 ARG CA C 1852 56.550 59.355 -2.805 1
1 990 . 15 1 1 A 89 89 ARG CB C 1852 30.260 29.523 0.737 1
1 993 . 15 1 1 A 89 89 ARG N N 1852 118.302 118.784 -0.482 1
1 994 . 15 1 1 A 90 90 GLN H H 1853 7.851 8.148 -0.297 1
1 995 . 15 1 1 A 90 90 GLN HA H 1853 4.262 4.070 0.192 1
1 1002 . 15 1 1 A 90 90 GLN CA C 1853 55.609 57.427 -1.818 1
1 1003 . 15 1 1 A 90 90 GLN CB C 1853 29.554 27.352 2.202 1
1 1005 . 15 1 1 A 90 90 GLN N N 1853 119.450 117.543 1.907 1
1 1007 . 15 1 1 A 91 91 GLN H H 1854 8.710 7.256 1.454 1
1 1008 . 15 1 1 A 91 91 GLN HA H 1854 4.317 4.240 0.077 1
1 1015 . 15 1 1 A 91 91 GLN CA C 1854 55.609 56.729 -1.120 1
1 1016 . 15 1 1 A 91 91 GLN CB C 1854 29.554 28.647 0.907 1
1 1018 . 15 1 1 A 91 91 GLN N N 1854 120.675 117.484 3.191 1
1 1038 . 15 2 2 B 2 2 HIS HA H 51 4.636 4.830 -0.194 1
1 1043 . 15 2 2 B 2 2 HIS CA C 51 55.844 55.227 0.617 1
1 1044 . 15 2 2 B 2 2 HIS CB C 51 30.495 31.167 -0.672 1
1 1047 . 15 2 2 B 3 3 MET H H 52 8.230 7.902 0.328 1
1 1048 . 15 2 2 B 3 3 MET HA H 52 4.430 4.371 0.059 1
1 1053 . 15 2 2 B 3 3 MET CA C 52 54.903 55.200 -0.297 1
1 1054 . 15 2 2 B 3 3 MET CB C 52 33.840 31.064 2.776 1
1 1056 . 15 2 2 B 3 3 MET N N 52 121.881 117.568 4.313 1
1 1057 . 15 2 2 B 4 4 ALA H H 53 8.269 7.496 0.773 1
1 1058 . 15 2 2 B 4 4 ALA HA H 53 4.586 4.386 0.200 1
1 1062 . 15 2 2 B 4 4 ALA CA C 53 51.255 50.608 0.647 1
1 1063 . 15 2 2 B 4 4 ALA CB C 53 18.796 18.383 0.413 1
1 1064 . 15 2 2 B 4 4 ALA N N 53 126.758 124.042 2.716 1
1 1065 . 15 2 2 B 5 5 PRO HA H 54 4.705 4.422 0.283 1
1 1072 . 15 2 2 B 5 5 PRO CA C 54 61.257 65.518 -4.261 1
1 1073 . 15 2 2 B 5 5 PRO CB C 54 30.966 31.628 -0.662 1
1 1076 . 15 2 2 B 6 6 GLU H H 55 8.468 7.609 0.859 1
1 1077 . 15 2 2 B 6 6 GLU HA H 55 4.150 4.667 -0.517 1
1 1082 . 15 2 2 B 6 6 GLU CA C 55 56.550 55.626 0.924 1
1 1083 . 15 2 2 B 6 6 GLU CB C 55 30.495 32.069 -1.574 1
1 1085 . 15 2 2 B 6 6 GLU N N 55 121.693 113.066 8.627 1
1 1086 . 15 2 2 B 7 7 ASP H H 56 8.574 8.781 -0.207 1
1 1087 . 15 2 2 B 7 7 ASP HA H 56 5.200 4.971 0.229 1
1 1090 . 15 2 2 B 7 7 ASP CA C 56 51.255 51.900 -0.645 1
1 1091 . 15 2 2 B 7 7 ASP CB C 56 42.262 43.989 -1.727 1
1 1092 . 15 2 2 B 7 7 ASP N N 56 120.873 119.722 1.151 1
1 1093 . 15 2 2 B 8 8 PRO HA H 57 4.465 4.460 0.005 1
1 1100 . 15 2 2 B 8 8 PRO CA C 57 63.610 64.201 -0.591 1
1 1101 . 15 2 2 B 8 8 PRO CB C 57 32.378 31.802 0.576 1
1 1104 . 15 2 2 B 9 9 ASN H H 58 8.301 8.303 -0.002 1
1 1105 . 15 2 2 B 9 9 ASN HA H 58 4.809 4.602 0.207 1
1 1110 . 15 2 2 B 9 9 ASN CA C 58 53.558 54.333 -0.775 1
1 1111 . 15 2 2 B 9 9 ASN CB C 58 38.497 38.833 -0.336 1
1 1112 . 15 2 2 B 9 9 ASN N N 58 117.190 115.948 1.242 1
1 1114 . 15 2 2 B 10 10 GLU H H 59 7.366 8.322 -0.956 1
1 1115 . 15 2 2 B 10 10 GLU HA H 59 3.641 4.017 -0.376 1
1 1120 . 15 2 2 B 10 10 GLU CA C 59 60.800 58.905 1.895 1
1 1121 . 15 2 2 B 10 10 GLU CB C 59 29.554 28.905 0.649 1
1 1123 . 15 2 2 B 10 10 GLU N N 59 122.354 118.690 3.664 1
1 1124 . 15 2 2 B 11 11 GLU H H 60 8.618 8.176 0.442 1
1 1125 . 15 2 2 B 11 11 GLU HA H 60 3.933 4.035 -0.102 1
1 1130 . 15 2 2 B 11 11 GLU CA C 60 59.139 58.640 0.499 1
1 1131 . 15 2 2 B 11 11 GLU CB C 60 29.830 29.162 0.668 1
1 1133 . 15 2 2 B 11 11 GLU N N 60 120.391 119.544 0.847 1
1 1134 . 15 2 2 B 12 12 ALA H H 61 8.280 7.723 0.557 1
1 1135 . 15 2 2 B 12 12 ALA HA H 61 4.180 4.251 -0.071 1
1 1139 . 15 2 2 B 12 12 ALA CA C 61 55.205 54.200 1.005 1
1 1140 . 15 2 2 B 12 12 ALA CB C 61 20.695 18.866 1.829 1
1 1141 . 15 2 2 B 12 12 ALA N N 61 122.378 123.148 -0.770 1
1 1142 . 15 2 2 B 13 13 VAL H H 62 7.773 7.884 -0.111 1
1 1143 . 15 2 2 B 13 13 VAL HA H 62 3.974 3.295 0.679 1
1 1151 . 15 2 2 B 13 13 VAL CA C 62 66.199 66.552 -0.353 1
1 1152 . 15 2 2 B 13 13 VAL CB C 62 31.907 31.461 0.446 1
1 1155 . 15 2 2 B 13 13 VAL N N 62 116.653 118.621 -1.968 1
1 1156 . 15 2 2 B 14 14 SER H H 63 8.288 8.134 0.154 1
1 1157 . 15 2 2 B 14 14 SER HA H 63 4.620 4.003 0.617 1
1 1160 . 15 2 2 B 14 14 SER CA C 63 60.786 62.429 -1.643 1
1 1161 . 15 2 2 B 14 14 SER CB C 63 62.434 62.925 -0.491 1
1 1162 . 15 2 2 B 14 14 SER N N 63 115.328 115.391 -0.063 1
1 1163 . 15 2 2 B 15 15 GLN H H 64 7.775 8.430 -0.655 1
1 1164 . 15 2 2 B 15 15 GLN HA H 64 4.190 4.098 0.092 1
1 1171 . 15 2 2 B 15 15 GLN CA C 64 57.492 58.269 -0.777 1
1 1172 . 15 2 2 B 15 15 GLN CB C 64 28.613 27.054 1.559 1
1 1174 . 15 2 2 B 15 15 GLN N N 64 119.350 118.701 0.649 1
1 1176 . 15 2 2 B 16 16 ILE H H 65 7.217 7.401 -0.184 1
1 1177 . 15 2 2 B 16 16 ILE HA H 65 3.788 3.907 -0.119 1
1 1186 . 15 2 2 B 16 16 ILE CA C 65 61.492 63.132 -1.640 1
1 1187 . 15 2 2 B 16 16 ILE CB C 65 37.320 39.080 -1.760 1
1 1191 . 15 2 2 B 16 16 ILE N N 65 117.427 119.007 -1.580 1
1 1192 . 15 2 2 B 17 17 PHE H H 66 8.370 7.644 0.726 1
1 1193 . 15 2 2 B 17 17 PHE HA H 66 4.407 4.945 -0.538 1
1 1200 . 15 2 2 B 17 17 PHE CA C 66 55.374 54.788 0.586 1
1 1201 . 15 2 2 B 17 17 PHE CB C 66 42.270 39.763 2.507 1
1 1205 . 15 2 2 B 17 17 PHE N N 66 117.389 115.743 1.646 1
1 1206 . 15 2 2 B 18 18 PRO HA H 67 4.784 4.785 -0.001 1
1 1213 . 15 2 2 B 18 18 PRO CA C 67 62.669 62.303 0.366 1
1 1214 . 15 2 2 B 18 18 PRO CB C 67 32.378 33.159 -0.781 1
1 1217 . 15 2 2 B 19 19 ASP H H 68 9.127 8.743 0.384 1
1 1218 . 15 2 2 B 19 19 ASP HA H 68 4.261 4.355 -0.094 1
1 1221 . 15 2 2 B 19 19 ASP CA C 68 57.927 56.036 1.891 1
1 1222 . 15 2 2 B 19 19 ASP CB C 68 40.451 40.026 0.425 1
1 1223 . 15 2 2 B 19 19 ASP N N 68 123.618 121.374 2.244 1
1 1224 . 15 2 2 B 20 20 SER H H 69 8.624 7.689 0.935 1
1 1225 . 15 2 2 B 20 20 SER HA H 69 4.816 4.351 0.465 1
1 1226 . 15 2 2 B 20 20 SER N N 69 112.914 112.351 0.563 1
1 1227 . 15 2 2 B 21 21 VAL H H 70 7.380 7.674 -0.294 1
1 1228 . 15 2 2 B 21 21 VAL HA H 70 3.958 4.716 -0.758 1
1 1236 . 15 2 2 B 21 21 VAL CA C 70 64.316 58.690 5.626 1
1 1237 . 15 2 2 B 21 21 VAL CB C 70 32.378 35.591 -3.213 1
1 1240 . 15 2 2 B 21 21 VAL N N 70 123.280 116.523 6.757 1
1 1241 . 15 2 2 B 22 22 MET H H 71 7.638 8.632 -0.994 1
1 1242 . 15 2 2 B 22 22 MET HA H 71 4.266 4.526 -0.260 1
1 1248 . 15 2 2 B 22 22 MET CA C 71 55.844 54.094 1.750 1
1 1249 . 15 2 2 B 22 22 MET CB C 71 31.907 31.122 0.785 1
1 1251 . 15 2 2 B 22 22 MET N N 71 117.825 123.377 -5.552 1
1 1252 . 15 2 2 B 23 23 LEU H H 72 8.102 7.789 0.313 1
1 1253 . 15 2 2 B 23 23 LEU HA H 72 4.132 4.061 0.071 1
1 1263 . 15 2 2 B 23 23 LEU CA C 72 56.786 58.049 -1.263 1
1 1264 . 15 2 2 B 23 23 LEU CB C 72 42.270 42.039 0.231 1
1 1268 . 15 2 2 B 23 23 LEU N N 72 119.633 126.909 -7.276 1
1 1269 . 15 2 2 B 24 24 ALA H H 73 7.464 8.391 -0.927 1
1 1270 . 15 2 2 B 24 24 ALA HA H 73 4.197 4.193 0.004 1
1 1274 . 15 2 2 B 24 24 ALA CA C 73 84.840 54.825 30.015 1
1 1275 . 15 2 2 B 24 24 ALA CB C 73 19.266 18.509 0.757 1
1 1276 . 15 2 2 B 24 24 ALA N N 73 120.682 121.079 -0.397 1
1 1277 . 15 2 2 B 25 25 VAL H H 74 7.668 8.026 -0.358 1
1 1278 . 15 2 2 B 25 25 VAL HA H 74 4.258 3.855 0.403 1
1 1286 . 15 2 2 B 25 25 VAL CA C 74 62.434 64.264 -1.830 1
1 1287 . 15 2 2 B 25 25 VAL CB C 74 31.672 31.623 0.049 1
1 1290 . 15 2 2 B 25 25 VAL N N 74 112.530 116.951 -4.421 1
1 1291 . 15 2 2 B 26 26 GLN H H 75 7.806 7.900 -0.094 1
1 1292 . 15 2 2 B 26 26 GLN HA H 75 4.308 4.429 -0.121 1
1 1299 . 15 2 2 B 26 26 GLN CA C 75 56.786 56.637 0.149 1
1 1300 . 15 2 2 B 26 26 GLN CB C 75 29.554 30.680 -1.126 1
1 1302 . 15 2 2 B 26 26 GLN N N 75 121.794 119.006 2.788 1
1 1304 . 15 2 2 B 27 27 GLU H H 76 8.340 7.984 0.356 1
1 1305 . 15 2 2 B 27 27 GLU HA H 76 4.349 4.287 0.062 1
1 1310 . 15 2 2 B 27 27 GLU CA C 76 56.315 57.114 -0.799 1
1 1311 . 15 2 2 B 27 27 GLU CB C 76 30.495 30.773 -0.278 1
1 1313 . 15 2 2 B 27 27 GLU N N 76 120.410 120.100 0.310 1
1 1314 . 15 2 2 B 28 28 GLY H H 77 8.295 8.784 -0.489 1
1 1315 . 15 2 2 B 28 28 GLY HA2 H 77 3.938 4.242 -0.304 1
1 1316 . 15 2 2 B 28 28 GLY HA3 H 77 4.190 4.245 -0.055 1
1 1317 . 15 2 2 B 28 28 GLY CA C 77 45.792 45.362 0.430 1
1 1318 . 15 2 2 B 28 28 GLY N N 77 109.255 111.424 -2.169 1
1 1319 . 15 2 2 B 29 29 ILE H H 78 7.889 8.349 -0.460 1
1 1320 . 15 2 2 B 29 29 ILE HA H 78 4.166 3.946 0.220 1
1 1330 . 15 2 2 B 29 29 ILE CA C 78 60.786 62.012 -1.226 1
1 1331 . 15 2 2 B 29 29 ILE CB C 78 39.203 38.255 0.948 1
1 1335 . 15 2 2 B 29 29 ILE N N 78 119.126 125.848 -6.722 1
1 1336 . 15 2 2 B 30 30 ASP H H 79 8.442 8.904 -0.462 1
1 1337 . 15 2 2 B 30 30 ASP HA H 79 4.577 4.848 -0.271 1
1 1340 . 15 2 2 B 30 30 ASP CA C 79 55.255 53.771 1.484 1
1 1341 . 15 2 2 B 30 30 ASP CB C 79 41.850 39.409 2.441 1
1 1342 . 15 2 2 B 30 30 ASP N N 79 123.665 128.263 -4.598 1
1 1343 . 15 2 2 B 31 31 LEU H H 80 8.141 7.798 0.343 1
1 1344 . 15 2 2 B 31 31 LEU HA H 80 4.292 4.030 0.262 1
1 1354 . 15 2 2 B 31 31 LEU CA C 80 55.205 57.444 -2.239 1
1 1355 . 15 2 2 B 31 31 LEU CB C 80 42.262 42.068 0.194 1
1 1359 . 15 2 2 B 31 31 LEU N N 80 122.359 121.694 0.665 1
1 1360 . 15 2 2 B 32 32 LEU H H 81 8.840 8.070 0.770 1
1 1361 . 15 2 2 B 32 32 LEU HA H 81 4.256 4.245 0.011 1
1 1371 . 15 2 2 B 32 32 LEU CA C 81 54.903 57.837 -2.934 1
1 1372 . 15 2 2 B 32 32 LEU CB C 81 42.497 42.044 0.453 1
1 1376 . 15 2 2 B 32 32 LEU N N 81 120.762 119.646 1.116 1
1 1377 . 15 2 2 B 33 33 THR H H 82 7.728 8.202 -0.474 1
1 1378 . 15 2 2 B 33 33 THR HA H 82 4.226 4.069 0.157 1
1 1383 . 15 2 2 B 33 33 THR CA C 82 61.220 64.526 -3.306 1
1 1384 . 15 2 2 B 33 33 THR CB C 82 69.494 68.729 0.765 1
1 1386 . 15 2 2 B 33 33 THR N N 82 113.606 113.498 0.108 1
1 1387 . 15 2 2 B 34 34 PHE H H 83 8.181 7.743 0.438 1
1 1388 . 15 2 2 B 34 34 PHE HA H 83 4.825 4.619 0.206 1
1 1395 . 15 2 2 B 34 34 PHE CA C 83 55.138 56.130 -0.992 1
1 1396 . 15 2 2 B 34 34 PHE CB C 83 39.203 38.981 0.222 1
1 1399 . 15 2 2 B 34 34 PHE N N 83 123.600 118.347 5.253 1
1 1400 . 15 2 2 B 35 35 PRO HA H 84 4.765 4.504 0.261 1
1 1407 . 15 2 2 B 35 35 PRO CA C 84 62.900 61.487 1.413 1
1 1408 . 15 2 2 B 35 35 PRO CB C 84 32.538 31.610 0.928 1
1 1411 . 15 2 2 B 36 36 PRO HA H 85 4.422 4.334 0.088 1
1 1418 . 15 2 2 B 36 36 PRO CA C 85 62.434 62.122 0.312 1
1 1419 . 15 2 2 B 36 36 PRO CB C 85 32.143 32.258 -0.115 1
1 1422 . 15 2 2 B 37 37 ALA H H 86 8.370 8.242 0.128 1
1 1423 . 15 2 2 B 37 37 ALA HA H 86 4.429 4.557 -0.128 1
1 1427 . 15 2 2 B 37 37 ALA CA C 86 50.263 50.869 -0.606 1
1 1428 . 15 2 2 B 37 37 ALA CB C 86 19.972 17.978 1.994 1
1 1429 . 15 2 2 B 37 37 ALA N N 86 125.277 124.014 1.263 1
1 1430 . 15 2 2 B 38 38 PRO HA H 87 4.388 4.507 -0.119 1
1 1437 . 15 2 2 B 38 38 PRO CA C 87 63.140 63.894 -0.754 1
1 1438 . 15 2 2 B 38 38 PRO CB C 87 32.143 31.829 0.314 1
1 1441 . 15 2 2 B 39 39 GLY H H 88 8.503 7.594 0.909 1
1 1442 . 15 2 2 B 39 39 GLY HA2 H 88 3.895 4.013 -0.118 1
1 1443 . 15 2 2 B 39 39 GLY HA3 H 88 3.981 4.015 -0.034 1
1 1444 . 15 2 2 B 39 39 GLY CA C 88 74.671 45.558 29.113 1
1 1445 . 15 2 2 B 39 39 GLY N N 88 109.831 107.702 2.129 1
1 1446 . 15 2 2 B 40 40 SER H H 89 8.800 8.006 0.794 1
1 1447 . 15 2 2 B 40 40 SER HA H 89 4.748 4.818 -0.070 1
1 1450 . 15 2 2 B 40 40 SER CA C 89 56.800 55.892 0.908 1
1 1451 . 15 2 2 B 40 40 SER CB C 89 63.140 65.641 -2.501 1
1 1452 . 15 2 2 B 40 40 SER N N 89 116.937 114.392 2.545 1
1 1453 . 15 2 2 B 41 41 PRO HA H 90 4.441 4.472 -0.031 1
1 1460 . 15 2 2 B 41 41 PRO CA C 90 63.140 64.298 -1.158 1
1 1461 . 15 2 2 B 41 41 PRO CB C 90 32.143 31.831 0.312 1
1 6 . 16 1 1 A 2 2 PRO HA H 1765 4.433 4.358 0.075 1
1 13 . 16 1 1 A 2 2 PRO CA C 1765 64.810 65.380 -0.570 1
1 14 . 16 1 1 A 2 2 PRO CB C 1765 31.907 31.968 -0.061 1
1 17 . 16 1 1 A 3 3 GLN H H 1766 8.442 8.216 0.226 1
1 18 . 16 1 1 A 3 3 GLN HA H 1766 3.889 4.037 -0.148 1
1 25 . 16 1 1 A 3 3 GLN CA C 1766 59.103 59.204 -0.101 1
1 26 . 16 1 1 A 3 3 GLN CB C 1766 28.595 28.293 0.302 1
1 28 . 16 1 1 A 3 3 GLN N N 1766 115.685 117.582 -1.897 1
1 30 . 16 1 1 A 4 4 GLU H H 1767 8.161 7.869 0.292 1
1 31 . 16 1 1 A 4 4 GLU HA H 1767 4.197 4.059 0.138 1
1 36 . 16 1 1 A 4 4 GLU CA C 1767 57.727 59.382 -1.655 1
1 37 . 16 1 1 A 4 4 GLU CB C 1767 30.250 29.432 0.818 1
1 39 . 16 1 1 A 4 4 GLU N N 1767 121.941 120.619 1.322 1
1 40 . 16 1 1 A 5 5 SER H H 1768 8.291 8.287 0.004 1
1 41 . 16 1 1 A 5 5 SER HA H 1768 4.280 4.114 0.166 1
1 44 . 16 1 1 A 5 5 SER CA C 1768 60.800 61.314 -0.514 1
1 45 . 16 1 1 A 5 5 SER CB C 1768 63.435 62.444 0.991 1
1 46 . 16 1 1 A 5 5 SER N N 1768 116.360 115.938 0.422 1
1 47 . 16 1 1 A 6 6 ARG H H 1769 7.935 7.894 0.041 1
1 48 . 16 1 1 A 6 6 ARG HA H 1769 4.120 3.957 0.163 1
1 52 . 16 1 1 A 6 6 ARG N N 1769 122.139 122.108 0.031 1
1 53 . 16 1 1 A 7 7 ARG H H 1770 7.952 7.794 0.158 1
1 54 . 16 1 1 A 7 7 ARG HA H 1770 3.939 3.908 0.031 1
1 61 . 16 1 1 A 7 7 ARG N N 1770 119.527 119.394 0.133 1
1 62 . 16 1 1 A 8 8 LEU H H 1771 8.120 8.341 -0.221 1
1 63 . 16 1 1 A 8 8 LEU HA H 1771 4.188 3.991 0.197 1
1 73 . 16 1 1 A 8 8 LEU CA C 1771 56.786 57.740 -0.954 1
1 74 . 16 1 1 A 8 8 LEU CB C 1771 41.556 41.797 -0.241 1
1 78 . 16 1 1 A 8 8 LEU N N 1771 120.237 120.619 -0.382 1
1 79 . 16 1 1 A 9 9 SER H H 1772 8.860 7.969 0.891 1
1 80 . 16 1 1 A 9 9 SER HA H 1772 4.224 4.024 0.200 1
1 83 . 16 1 1 A 9 9 SER CA C 1772 61.728 62.559 -0.831 1
1 84 . 16 1 1 A 9 9 SER CB C 1772 62.198 63.014 -0.816 1
1 85 . 16 1 1 A 9 9 SER N N 1772 116.214 113.768 2.446 1
1 86 . 16 1 1 A 10 10 ILE H H 1773 8.133 7.938 0.195 1
1 87 . 16 1 1 A 10 10 ILE HA H 1773 3.510 3.567 -0.057 1
1 97 . 16 1 1 A 10 10 ILE CA C 1773 64.787 65.282 -0.495 1
1 98 . 16 1 1 A 10 10 ILE CB C 1773 38.732 37.579 1.153 1
1 102 . 16 1 1 A 10 10 ILE N N 1773 122.927 121.210 1.717 1
1 103 . 16 1 1 A 11 11 GLN H H 1774 8.250 8.194 0.056 1
1 104 . 16 1 1 A 11 11 GLN HA H 1774 3.980 4.086 -0.106 1
1 111 . 16 1 1 A 11 11 GLN CA C 1774 58.900 58.133 0.767 1
1 113 . 16 1 1 A 11 11 GLN N N 1774 118.893 120.057 -1.164 1
1 115 . 16 1 1 A 12 12 ARG H H 1775 8.272 7.715 0.557 1
1 116 . 16 1 1 A 12 12 ARG HA H 1775 4.168 4.068 0.100 1
1 123 . 16 1 1 A 12 12 ARG CA C 1775 57.730 59.472 -1.742 1
1 126 . 16 1 1 A 12 12 ARG N N 1775 119.560 119.231 0.329 1
1 127 . 16 1 1 A 13 13 CYS HA H 1776 4.176 4.127 0.049 1
1 130 . 16 1 1 A 13 13 CYS CA C 1776 63.610 62.200 1.410 1
1 131 . 16 1 1 A 13 13 CYS CB C 1776 26.965 27.256 -0.291 1
1 132 . 16 1 1 A 14 14 ILE H H 1777 8.597 8.207 0.390 1
1 133 . 16 1 1 A 14 14 ILE HA H 1777 3.735 3.685 0.050 1
1 143 . 16 1 1 A 14 14 ILE CA C 1777 65.220 65.103 0.117 1
1 144 . 16 1 1 A 14 14 ILE CB C 1777 37.320 37.228 0.092 1
1 148 . 16 1 1 A 14 14 ILE N N 1777 120.174 120.451 -0.277 1
1 149 . 16 1 1 A 15 15 GLN H H 1778 8.105 8.102 0.003 1
1 150 . 16 1 1 A 15 15 GLN HA H 1778 4.700 4.030 0.670 1
1 157 . 16 1 1 A 15 15 GLN CA C 1778 59.139 59.003 0.136 1
1 158 . 16 1 1 A 15 15 GLN CB C 1778 28.377 28.653 -0.276 1
1 160 . 16 1 1 A 15 15 GLN N N 1778 119.677 120.321 -0.644 1
1 162 . 16 1 1 A 16 16 SER H H 1779 8.115 7.612 0.503 1
1 163 . 16 1 1 A 16 16 SER HA H 1779 4.407 4.112 0.295 1
1 166 . 16 1 1 A 16 16 SER CA C 1779 61.963 62.554 -0.591 1
1 167 . 16 1 1 A 16 16 SER CB C 1779 63.425 62.742 0.683 1
1 168 . 16 1 1 A 16 16 SER N N 1779 116.542 116.625 -0.083 1
1 169 . 16 1 1 A 17 17 LEU H H 1780 8.496 8.099 0.397 1
1 170 . 16 1 1 A 17 17 LEU HA H 1780 3.970 4.036 -0.066 1
1 180 . 16 1 1 A 17 17 LEU CA C 1780 58.286 58.330 -0.044 1
1 181 . 16 1 1 A 17 17 LEU CB C 1780 42.262 41.818 0.444 1
1 185 . 16 1 1 A 17 17 LEU N N 1780 124.870 123.375 1.495 1
1 186 . 16 1 1 A 18 18 VAL H H 1781 8.540 8.106 0.434 1
1 187 . 16 1 1 A 18 18 VAL HA H 1781 3.246 3.510 -0.264 1
1 195 . 16 1 1 A 18 18 VAL CA C 1781 66.905 66.741 0.164 1
1 196 . 16 1 1 A 18 18 VAL CB C 1781 31.672 31.650 0.022 1
1 199 . 16 1 1 A 18 18 VAL N N 1781 119.345 119.128 0.217 1
1 200 . 16 1 1 A 19 19 HIS H H 1782 7.944 8.195 -0.251 1
1 201 . 16 1 1 A 19 19 HIS HA H 1782 4.191 4.077 0.114 1
1 206 . 16 1 1 A 19 19 HIS CA C 1782 59.845 60.219 -0.374 1
1 207 . 16 1 1 A 19 19 HIS CB C 1782 26.965 29.756 -2.791 1
1 210 . 16 1 1 A 19 19 HIS N N 1782 116.521 119.062 -2.541 1
1 211 . 16 1 1 A 20 20 ALA H H 1783 9.830 8.461 1.369 1
1 212 . 16 1 1 A 20 20 ALA HA H 1783 4.367 4.022 0.345 1
1 216 . 16 1 1 A 20 20 ALA CA C 1783 55.191 55.103 0.088 1
1 217 . 16 1 1 A 20 20 ALA CB C 1783 20.695 18.297 2.398 1
1 218 . 16 1 1 A 20 20 ALA N N 1783 121.753 120.412 1.341 1
1 219 . 16 1 1 A 21 21 CYS H H 1784 7.913 7.705 0.208 1
1 220 . 16 1 1 A 21 21 CYS HA H 1784 4.236 4.313 -0.077 1
1 223 . 16 1 1 A 21 21 CYS CA C 1784 61.963 60.510 1.453 1
1 224 . 16 1 1 A 21 21 CYS CB C 1784 26.965 26.795 0.170 1
1 225 . 16 1 1 A 21 21 CYS N N 1784 112.237 115.501 -3.264 1
1 226 . 16 1 1 A 22 22 GLN H H 1785 7.320 8.090 -0.770 1
1 227 . 16 1 1 A 22 22 GLN HA H 1785 4.475 4.427 0.048 1
1 234 . 16 1 1 A 22 22 GLN CA C 1785 54.970 55.225 -0.255 1
1 235 . 16 1 1 A 22 22 GLN CB C 1785 30.731 29.581 1.150 1
1 237 . 16 1 1 A 22 22 GLN N N 1785 115.939 115.375 0.564 1
1 239 . 16 1 1 A 23 23 CYS H H 1786 7.268 7.525 -0.257 1
1 240 . 16 1 1 A 23 23 CYS HA H 1786 3.898 4.129 -0.231 1
1 243 . 16 1 1 A 23 23 CYS CA C 1786 60.800 59.984 0.816 1
1 244 . 16 1 1 A 23 23 CYS CB C 1786 28.848 28.640 0.208 1
1 245 . 16 1 1 A 23 23 CYS N N 1786 124.452 119.994 4.458 1
1 246 . 16 1 1 A 24 24 ARG H H 1787 8.854 8.907 -0.053 1
1 247 . 16 1 1 A 24 24 ARG HA H 1787 4.539 4.319 0.220 1
1 254 . 16 1 1 A 24 24 ARG CA C 1787 54.735 57.851 -3.116 1
1 255 . 16 1 1 A 24 24 ARG CB C 1787 30.250 30.368 -0.118 1
1 258 . 16 1 1 A 24 24 ARG N N 1787 130.523 128.249 2.274 1
1 259 . 16 1 1 A 25 25 ASN H H 1788 7.553 7.730 -0.177 1
1 260 . 16 1 1 A 25 25 ASN HA H 1788 4.799 5.052 -0.253 1
1 265 . 16 1 1 A 25 25 ASN CA C 1788 51.911 51.886 0.025 1
1 266 . 16 1 1 A 25 25 ASN CB C 1788 39.203 40.307 -1.104 1
1 267 . 16 1 1 A 25 25 ASN N N 1788 119.613 118.236 1.377 1
1 269 . 16 1 1 A 26 26 ALA H H 1789 9.185 9.035 0.150 1
1 270 . 16 1 1 A 26 26 ALA HA H 1789 4.740 4.094 0.646 1
1 274 . 16 1 1 A 26 26 ALA CA C 1789 54.264 54.372 -0.108 1
1 275 . 16 1 1 A 26 26 ALA CB C 1789 18.796 18.550 0.246 1
1 276 . 16 1 1 A 26 26 ALA N N 1789 130.841 128.776 2.065 1
1 277 . 16 1 1 A 27 27 ASN H H 1790 8.520 8.055 0.465 1
1 278 . 16 1 1 A 27 27 ASN HA H 1790 4.761 4.992 -0.231 1
1 283 . 16 1 1 A 27 27 ASN CA C 1790 51.911 52.780 -0.869 1
1 284 . 16 1 1 A 27 27 ASN CB C 1790 38.967 39.205 -0.238 1
1 285 . 16 1 1 A 27 27 ASN N N 1790 113.345 114.619 -1.274 1
1 287 . 16 1 1 A 28 28 CYS H H 1791 7.224 7.156 0.068 1
1 288 . 16 1 1 A 28 28 CYS HA H 1791 4.950 4.349 0.601 1
1 291 . 16 1 1 A 28 28 CYS CA C 1791 61.257 59.840 1.417 1
1 292 . 16 1 1 A 28 28 CYS CB C 1791 30.495 28.814 1.681 1
1 293 . 16 1 1 A 28 28 CYS N N 1791 123.463 120.785 2.678 1
1 294 . 16 1 1 A 29 29 SER H H 1792 8.811 8.834 -0.023 1
1 295 . 16 1 1 A 29 29 SER HA H 1792 4.449 4.523 -0.074 1
1 298 . 16 1 1 A 29 29 SER CA C 1792 57.492 59.509 -2.017 1
1 299 . 16 1 1 A 29 29 SER CB C 1792 63.835 64.158 -0.323 1
1 300 . 16 1 1 A 29 29 SER N N 1792 125.781 118.936 6.845 1
1 301 . 16 1 1 A 30 30 LEU H H 1793 7.851 6.821 1.030 1
1 302 . 16 1 1 A 30 30 LEU HA H 1793 4.507 4.472 0.035 1
1 312 . 16 1 1 A 30 30 LEU CA C 1793 53.558 53.039 0.519 1
1 313 . 16 1 1 A 30 30 LEU CB C 1793 42.270 43.563 -1.293 1
1 317 . 16 1 1 A 30 30 LEU N N 1793 125.656 122.868 2.788 1
1 318 . 16 1 1 A 31 31 PRO HA H 1794 4.363 4.298 0.065 1
1 325 . 16 1 1 A 31 31 PRO CA C 1794 64.787 64.900 -0.113 1
1 326 . 16 1 1 A 31 31 PRO CB C 1794 32.708 31.973 0.735 1
1 329 . 16 1 1 A 32 32 SER H H 1795 8.625 8.137 0.488 1
1 330 . 16 1 1 A 32 32 SER HA H 1795 4.309 4.206 0.103 1
1 332 . 16 1 1 A 32 32 SER CA C 1795 60.124 61.505 -1.381 1
1 333 . 16 1 1 A 32 32 SER CB C 1795 62.982 62.838 0.144 1
1 334 . 16 1 1 A 32 32 SER N N 1795 112.707 113.656 -0.949 1
1 335 . 16 1 1 A 33 33 CYS H H 1796 6.679 8.077 -1.398 1
1 336 . 16 1 1 A 33 33 CYS HA H 1796 4.108 3.970 0.138 1
1 339 . 16 1 1 A 33 33 CYS CA C 1796 62.669 62.695 -0.026 1
1 340 . 16 1 1 A 33 33 CYS CB C 1796 30.495 26.467 4.028 1
1 341 . 16 1 1 A 33 33 CYS N N 1796 126.200 121.003 5.197 1
1 342 . 16 1 1 A 34 34 GLN H H 1797 7.870 7.907 -0.037 1
1 343 . 16 1 1 A 34 34 GLN HA H 1797 3.867 3.933 -0.066 1
1 350 . 16 1 1 A 34 34 GLN CA C 1797 59.140 59.256 -0.116 1
1 351 . 16 1 1 A 34 34 GLN CB C 1797 31.360 28.154 3.206 1
1 353 . 16 1 1 A 34 34 GLN N N 1797 115.529 119.560 -4.031 1
1 355 . 16 1 1 A 35 35 LYS H H 1798 8.340 7.523 0.817 1
1 356 . 16 1 1 A 35 35 LYS HA H 1798 4.240 4.039 0.201 1
1 365 . 16 1 1 A 35 35 LYS CA C 1798 58.904 59.263 -0.359 1
1 366 . 16 1 1 A 35 35 LYS CB C 1798 32.686 32.249 0.437 1
1 370 . 16 1 1 A 35 35 LYS N N 1798 117.144 118.764 -1.620 1
1 371 . 16 1 1 A 36 36 MET H H 1799 8.163 8.347 -0.184 1
1 372 . 16 1 1 A 36 36 MET HA H 1799 4.369 4.123 0.246 1
1 380 . 16 1 1 A 36 36 MET CA C 1799 56.474 58.481 -2.007 1
1 381 . 16 1 1 A 36 36 MET CB C 1799 31.110 31.914 -0.804 1
1 384 . 16 1 1 A 36 36 MET N N 1799 117.485 119.126 -1.641 1
1 385 . 16 1 1 A 37 37 LYS H H 1800 9.337 8.241 1.096 1
1 386 . 16 1 1 A 37 37 LYS HA H 1800 3.840 3.968 -0.128 1
1 395 . 16 1 1 A 37 37 LYS CA C 1800 61.200 59.982 1.218 1
1 396 . 16 1 1 A 37 37 LYS CB C 1800 32.691 32.316 0.375 1
1 400 . 16 1 1 A 37 37 LYS N N 1800 120.830 119.182 1.648 1
1 401 . 16 1 1 A 38 38 ARG H H 1801 7.399 7.435 -0.036 1
1 402 . 16 1 1 A 38 38 ARG HA H 1801 4.490 4.036 0.454 1
1 409 . 16 1 1 A 38 38 ARG CA C 1801 59.263 59.425 -0.162 1
1 410 . 16 1 1 A 38 38 ARG CB C 1801 31.179 30.050 1.129 1
1 413 . 16 1 1 A 38 38 ARG N N 1801 118.965 119.493 -0.528 1
1 414 . 16 1 1 A 39 39 VAL H H 1802 8.420 7.836 0.584 1
1 415 . 16 1 1 A 39 39 VAL HA H 1802 3.239 3.814 -0.575 1
1 423 . 16 1 1 A 39 39 VAL CA C 1802 67.140 65.422 1.718 1
1 424 . 16 1 1 A 39 39 VAL CB C 1802 31.685 31.453 0.232 1
1 427 . 16 1 1 A 39 39 VAL N N 1802 123.140 115.802 7.338 1
1 428 . 16 1 1 A 40 40 VAL H H 1803 8.195 8.167 0.028 1
1 429 . 16 1 1 A 40 40 VAL HA H 1803 3.403 3.576 -0.173 1
1 437 . 16 1 1 A 40 40 VAL CA C 1803 66.905 66.771 0.134 1
1 438 . 16 1 1 A 40 40 VAL CB C 1803 31.907 31.449 0.458 1
1 441 . 16 1 1 A 40 40 VAL N N 1803 118.716 121.008 -2.292 1
1 442 . 16 1 1 A 41 41 GLN H H 1804 8.310 8.259 0.051 1
1 443 . 16 1 1 A 41 41 GLN HA H 1804 3.916 4.105 -0.189 1
1 450 . 16 1 1 A 41 41 GLN CA C 1804 58.591 58.663 -0.072 1
1 451 . 16 1 1 A 41 41 GLN CB C 1804 28.561 28.897 -0.336 1
1 453 . 16 1 1 A 41 41 GLN N N 1804 119.193 118.651 0.542 1
1 455 . 16 1 1 A 42 42 HIS H H 1805 8.152 7.973 0.179 1
1 456 . 16 1 1 A 42 42 HIS HA H 1805 4.222 4.313 -0.091 1
1 461 . 16 1 1 A 42 42 HIS CA C 1805 59.139 59.440 -0.301 1
1 462 . 16 1 1 A 42 42 HIS CB C 1805 27.201 30.320 -3.119 1
1 465 . 16 1 1 A 42 42 HIS N N 1805 118.579 122.055 -3.476 1
1 466 . 16 1 1 A 43 43 THR H H 1806 7.997 8.404 -0.407 1
1 467 . 16 1 1 A 43 43 THR HA H 1806 3.888 4.080 -0.192 1
1 473 . 16 1 1 A 43 43 THR CA C 1806 65.728 65.448 0.280 1
1 474 . 16 1 1 A 43 43 THR CB C 1806 69.023 68.935 0.088 1
1 476 . 16 1 1 A 43 43 THR N N 1806 113.599 113.814 -0.215 1
1 477 . 16 1 1 A 44 44 LYS H H 1807 7.381 8.709 -1.328 1
1 478 . 16 1 1 A 44 44 LYS HA H 1807 4.190 4.192 -0.002 1
1 487 . 16 1 1 A 44 44 LYS CA C 1807 58.668 58.138 0.530 1
1 488 . 16 1 1 A 44 44 LYS CB C 1807 32.731 31.404 1.327 1
1 492 . 16 1 1 A 44 44 LYS N N 1807 120.270 119.416 0.854 1
1 493 . 16 1 1 A 45 45 GLY H H 1808 7.610 7.935 -0.325 1
1 494 . 16 1 1 A 45 45 GLY HA2 H 1808 3.610 4.051 -0.441 1
1 495 . 16 1 1 A 45 45 GLY HA3 H 1808 4.380 4.063 0.317 1
1 496 . 16 1 1 A 45 45 GLY CA C 1808 44.851 45.460 -0.609 1
1 497 . 16 1 1 A 45 45 GLY N N 1808 125.480 105.889 19.591 1
1 498 . 16 1 1 A 46 46 CYS H H 1809 6.898 7.749 -0.851 1
1 499 . 16 1 1 A 46 46 CYS HA H 1809 3.957 4.170 -0.213 1
1 502 . 16 1 1 A 46 46 CYS CA C 1809 60.551 59.412 1.139 1
1 503 . 16 1 1 A 46 46 CYS CB C 1809 30.260 28.686 1.574 1
1 504 . 16 1 1 A 46 46 CYS N N 1809 123.457 120.060 3.397 1
1 505 . 16 1 1 A 47 47 LYS HA H 1810 4.471 4.079 0.392 1
1 514 . 16 1 1 A 47 47 LYS CA C 1810 56.800 58.608 -1.808 1
1 515 . 16 1 1 A 47 47 LYS CB C 1810 33.840 32.316 1.524 1
1 518 . 16 1 1 A 48 48 ARG H H 1811 8.575 7.393 1.182 1
1 519 . 16 1 1 A 48 48 ARG HA H 1811 4.366 4.518 -0.152 1
1 526 . 16 1 1 A 48 48 ARG CA C 1811 57.256 55.941 1.315 1
1 527 . 16 1 1 A 48 48 ARG CB C 1811 32.143 32.612 -0.469 1
1 530 . 16 1 1 A 48 48 ARG N N 1811 122.731 114.092 8.639 1
1 531 . 16 1 1 A 49 49 LYS H H 1812 8.663 7.791 0.872 1
1 532 . 16 1 1 A 49 49 LYS HA H 1812 4.521 4.328 0.193 1
1 539 . 16 1 1 A 49 49 LYS CA C 1812 57.256 57.623 -0.367 1
1 540 . 16 1 1 A 49 49 LYS CB C 1812 32.378 32.258 0.120 1
1 543 . 16 1 1 A 49 49 LYS N N 1812 118.409 120.486 -2.077 1
1 544 . 16 1 1 A 50 50 THR HA H 1813 4.710 3.970 0.740 1
1 549 . 16 1 1 A 50 50 THR CA C 1813 63.846 65.366 -1.520 1
1 550 . 16 1 1 A 50 50 THR CB C 1813 68.317 68.446 -0.129 1
1 552 . 16 1 1 A 51 51 ASN HA H 1814 4.676 4.352 0.324 1
1 557 . 16 1 1 A 51 51 ASN CA C 1814 82.908 56.322 26.586 1
1 558 . 16 1 1 A 51 51 ASN CB C 1814 38.732 38.245 0.487 1
1 560 . 16 1 1 A 52 52 GLY H H 1815 7.879 7.890 -0.011 1
1 561 . 16 1 1 A 52 52 GLY HA2 H 1815 4.300 3.946 0.354 1
1 562 . 16 1 1 A 52 52 GLY HA3 H 1815 3.831 3.949 -0.118 1
1 563 . 16 1 1 A 52 52 GLY CA C 1815 45.557 45.345 0.212 1
1 564 . 16 1 1 A 52 52 GLY N N 1815 129.890 106.003 23.887 1
1 565 . 16 1 1 A 53 53 GLY H H 1816 7.765 7.433 0.332 1
1 566 . 16 1 1 A 53 53 GLY HA2 H 1816 3.885 3.958 -0.073 1
1 567 . 16 1 1 A 53 53 GLY HA3 H 1816 3.985 3.960 0.025 1
1 568 . 16 1 1 A 53 53 GLY CA C 1816 45.792 45.447 0.345 1
1 569 . 16 1 1 A 53 53 GLY N N 1816 128.949 107.714 21.235 1
1 570 . 16 1 1 A 54 54 CYS H H 1817 8.800 8.133 0.667 1
1 571 . 16 1 1 A 54 54 CYS HA H 1817 4.821 4.550 0.271 1
1 574 . 16 1 1 A 54 54 CYS CA C 1817 55.138 57.517 -2.379 1
1 575 . 16 1 1 A 54 54 CYS CB C 1817 30.966 28.825 2.141 1
1 576 . 16 1 1 A 54 54 CYS N N 1817 122.429 119.537 2.892 1
1 577 . 16 1 1 A 55 55 PRO HA H 1818 4.330 4.291 0.039 1
1 584 . 16 1 1 A 55 55 PRO CA C 1818 64.787 65.361 -0.574 1
1 585 . 16 1 1 A 55 55 PRO CB C 1818 32.613 31.887 0.726 1
1 588 . 16 1 1 A 56 56 VAL H H 1819 7.750 7.336 0.414 1
1 589 . 16 1 1 A 56 56 VAL HA H 1819 3.884 3.561 0.323 1
1 597 . 16 1 1 A 56 56 VAL CA C 1819 65.728 66.370 -0.642 1
1 598 . 16 1 1 A 56 56 VAL CB C 1819 32.849 31.199 1.650 1
1 601 . 16 1 1 A 56 56 VAL N N 1819 121.605 115.696 5.909 1
1 602 . 16 1 1 A 57 57 CYS H H 1820 8.884 8.083 0.801 1
1 603 . 16 1 1 A 57 57 CYS HA H 1820 4.106 3.935 0.171 1
1 606 . 16 1 1 A 57 57 CYS CA C 1820 65.728 63.851 1.877 1
1 607 . 16 1 1 A 57 57 CYS CB C 1820 30.250 27.101 3.149 1
1 608 . 16 1 1 A 57 57 CYS N N 1820 124.260 117.564 6.696 1
1 609 . 16 1 1 A 58 58 LYS H H 1821 8.133 7.995 0.138 1
1 610 . 16 1 1 A 58 58 LYS HA H 1821 3.942 3.828 0.114 1
1 619 . 16 1 1 A 58 58 LYS CA C 1821 59.610 59.770 -0.160 1
1 620 . 16 1 1 A 58 58 LYS CB C 1821 32.849 32.507 0.342 1
1 624 . 16 1 1 A 58 58 LYS N N 1821 117.129 120.915 -3.786 1
1 625 . 16 1 1 A 59 59 GLN H H 1822 7.318 7.809 -0.491 1
1 626 . 16 1 1 A 59 59 GLN HA H 1822 4.357 4.025 0.332 1
1 632 . 16 1 1 A 59 59 GLN N N 1822 117.943 119.109 -1.166 1
1 633 . 16 1 1 A 60 60 LEU H H 1823 8.667 7.579 1.088 1
1 634 . 16 1 1 A 60 60 LEU HA H 1823 4.950 3.961 0.989 1
1 647 . 16 1 1 A 60 60 LEU N N 1823 120.670 121.914 -1.244 1
1 648 . 16 1 1 A 61 61 ILE H H 1824 8.780 8.163 0.617 1
1 649 . 16 1 1 A 61 61 ILE HA H 1824 3.614 3.518 0.096 1
1 659 . 16 1 1 A 61 61 ILE CA C 1824 64.787 65.202 -0.415 1
1 660 . 16 1 1 A 61 61 ILE CB C 1824 37.320 36.691 0.629 1
1 664 . 16 1 1 A 61 61 ILE N N 1824 119.837 118.905 0.932 1
1 665 . 16 1 1 A 62 62 ALA H H 1825 7.675 8.467 -0.792 1
1 666 . 16 1 1 A 62 62 ALA HA H 1825 4.112 4.062 0.050 1
1 670 . 16 1 1 A 62 62 ALA CA C 1825 55.374 55.282 0.092 1
1 671 . 16 1 1 A 62 62 ALA CB C 1825 18.560 18.191 0.369 1
1 672 . 16 1 1 A 62 62 ALA N N 1825 122.779 122.853 -0.074 1
1 673 . 16 1 1 A 63 63 LEU H H 1826 7.983 7.768 0.215 1
1 674 . 16 1 1 A 63 63 LEU HA H 1826 4.114 4.073 0.041 1
1 684 . 16 1 1 A 63 63 LEU CA C 1826 58.334 58.002 0.332 1
1 685 . 16 1 1 A 63 63 LEU CB C 1826 42.821 41.266 1.555 1
1 689 . 16 1 1 A 63 63 LEU N N 1826 118.291 117.847 0.444 1
1 690 . 16 1 1 A 64 64 CYS H H 1827 8.663 8.097 0.566 1
1 691 . 16 1 1 A 64 64 CYS HA H 1827 4.350 4.192 0.158 1
1 694 . 16 1 1 A 64 64 CYS CA C 1827 64.800 62.636 2.164 1
1 695 . 16 1 1 A 64 64 CYS CB C 1827 26.495 25.777 0.718 1
1 696 . 16 1 1 A 64 64 CYS N N 1827 118.409 117.646 0.763 1
1 697 . 16 1 1 A 65 65 CYS H H 1828 8.672 8.564 0.108 1
1 698 . 16 1 1 A 65 65 CYS HA H 1828 4.152 4.077 0.075 1
1 701 . 16 1 1 A 65 65 CYS CA C 1828 63.547 63.118 0.429 1
1 702 . 16 1 1 A 65 65 CYS CB C 1828 26.495 26.402 0.093 1
1 703 . 16 1 1 A 65 65 CYS N N 1828 118.996 122.027 -3.031 1
1 704 . 16 1 1 A 66 66 TYR H H 1829 7.837 8.546 -0.709 1
1 705 . 16 1 1 A 66 66 TYR HA H 1829 4.199 4.230 -0.031 1
1 712 . 16 1 1 A 66 66 TYR CA C 1829 61.220 61.841 -0.621 1
1 713 . 16 1 1 A 66 66 TYR CB C 1829 38.261 38.625 -0.364 1
1 716 . 16 1 1 A 66 66 TYR N N 1829 120.650 122.522 -1.872 1
1 717 . 16 1 1 A 67 67 HIS H H 1830 8.323 8.420 -0.097 1
1 718 . 16 1 1 A 67 67 HIS HA H 1830 4.341 4.407 -0.066 1
1 723 . 16 1 1 A 67 67 HIS CA C 1830 58.668 60.467 -1.799 1
1 724 . 16 1 1 A 67 67 HIS CB C 1830 27.907 29.897 -1.990 1
1 727 . 16 1 1 A 67 67 HIS N N 1830 117.149 119.406 -2.257 1
1 728 . 16 1 1 A 68 68 ALA H H 1831 8.693 8.560 0.133 1
1 729 . 16 1 1 A 68 68 ALA HA H 1831 4.250 4.063 0.187 1
1 733 . 16 1 1 A 68 68 ALA CA C 1831 55.205 55.428 -0.223 1
1 734 . 16 1 1 A 68 68 ALA CB C 1831 20.695 18.502 2.193 1
1 735 . 16 1 1 A 68 68 ALA N N 1831 121.519 120.855 0.664 1
1 736 . 16 1 1 A 69 69 LYS H H 1832 7.126 8.088 -0.962 1
1 737 . 16 1 1 A 69 69 LYS HA H 1832 3.737 3.992 -0.255 1
1 746 . 16 1 1 A 69 69 LYS CA C 1832 57.962 59.484 -1.522 1
1 747 . 16 1 1 A 69 69 LYS CB C 1832 32.613 31.543 1.070 1
1 751 . 16 1 1 A 69 69 LYS N N 1832 114.376 119.141 -4.765 1
1 752 . 16 1 1 A 70 70 HIS H H 1833 6.884 7.435 -0.551 1
1 753 . 16 1 1 A 70 70 HIS HA H 1833 4.711 4.411 0.300 1
1 758 . 16 1 1 A 70 70 HIS CA C 1833 54.970 57.890 -2.920 1
1 759 . 16 1 1 A 70 70 HIS CB C 1833 31.201 31.073 0.128 1
1 762 . 16 1 1 A 70 70 HIS N N 1833 113.369 114.498 -1.129 1
1 763 . 16 1 1 A 71 71 CYS H H 1834 6.969 7.456 -0.487 1
1 764 . 16 1 1 A 71 71 CYS HA H 1834 4.210 4.214 -0.004 1
1 767 . 16 1 1 A 71 71 CYS CA C 1834 60.800 60.004 0.796 1
1 768 . 16 1 1 A 71 71 CYS CB C 1834 30.250 27.970 2.280 1
1 769 . 16 1 1 A 71 71 CYS N N 1834 123.813 118.127 5.686 1
1 770 . 16 1 1 A 72 72 GLN H H 1835 9.101 8.810 0.291 1
1 771 . 16 1 1 A 72 72 GLN HA H 1835 4.646 4.599 0.047 1
1 778 . 16 1 1 A 72 72 GLN CA C 1835 54.735 55.572 -0.837 1
1 779 . 16 1 1 A 72 72 GLN CB C 1835 29.319 30.470 -1.151 1
1 781 . 16 1 1 A 72 72 GLN N N 1835 128.430 122.384 6.046 1
1 783 . 16 1 1 A 73 73 GLU H H 1836 8.331 7.320 1.011 1
1 784 . 16 1 1 A 73 73 GLU HA H 1836 4.365 4.328 0.037 1
1 788 . 16 1 1 A 73 73 GLU CA C 1836 55.374 56.478 -1.104 1
1 789 . 16 1 1 A 73 73 GLU CB C 1836 30.731 31.061 -0.330 1
1 791 . 16 1 1 A 73 73 GLU N N 1836 123.251 123.015 0.236 1
1 792 . 16 1 1 A 74 74 ASN HA H 1837 4.512 4.485 0.027 1
1 797 . 16 1 1 A 74 74 ASN CA C 1837 54.970 55.187 -0.217 1
1 798 . 16 1 1 A 74 74 ASN CB C 1837 38.732 38.304 0.428 1
1 800 . 16 1 1 A 75 75 LYS H H 1838 8.779 7.931 0.848 1
1 801 . 16 1 1 A 75 75 LYS HA H 1838 4.424 4.556 -0.132 1
1 810 . 16 1 1 A 75 75 LYS CA C 1838 54.735 54.976 -0.241 1
1 811 . 16 1 1 A 75 75 LYS CB C 1838 30.966 33.014 -2.048 1
1 815 . 16 1 1 A 75 75 LYS N N 1838 121.350 116.034 5.316 1
1 816 . 16 1 1 A 76 76 CYS H H 1839 7.590 6.979 0.611 1
1 817 . 16 1 1 A 76 76 CYS HA H 1839 4.361 4.449 -0.088 1
1 820 . 16 1 1 A 76 76 CYS CA C 1839 57.256 57.641 -0.385 1
1 821 . 16 1 1 A 76 76 CYS CB C 1839 30.731 28.264 2.467 1
1 822 . 16 1 1 A 76 76 CYS N N 1839 124.209 121.143 3.066 1
1 823 . 16 1 1 A 77 77 PRO HA H 1840 4.651 4.361 0.290 1
1 830 . 16 1 1 A 77 77 PRO CA C 1840 62.669 64.413 -1.744 1
1 831 . 16 1 1 A 77 77 PRO CB C 1840 32.849 31.956 0.893 1
1 834 . 16 1 1 A 78 78 VAL H H 1841 8.962 7.733 1.229 1
1 835 . 16 1 1 A 78 78 VAL HA H 1841 4.199 4.177 0.022 1
1 843 . 16 1 1 A 78 78 VAL CA C 1841 61.257 60.953 0.304 1
1 844 . 16 1 1 A 78 78 VAL CB C 1841 31.672 32.070 -0.398 1
1 847 . 16 1 1 A 78 78 VAL N N 1841 128.606 119.575 9.031 1
1 848 . 16 1 1 A 79 79 PRO HA H 1842 3.936 4.243 -0.307 1
1 855 . 16 1 1 A 79 79 PRO CA C 1842 63.846 65.588 -1.742 1
1 856 . 16 1 1 A 79 79 PRO CB C 1842 30.731 31.354 -0.623 1
1 859 . 16 1 1 A 80 80 PHE HA H 1843 4.255 4.264 -0.009 1
1 866 . 16 1 1 A 80 80 PHE CA C 1843 59.374 60.300 -0.926 1
1 867 . 16 1 1 A 80 80 PHE CB C 1843 37.791 38.159 -0.368 1
1 870 . 16 1 1 A 81 81 CYS H H 1844 7.660 8.401 -0.741 1
1 871 . 16 1 1 A 81 81 CYS HA H 1844 3.997 4.199 -0.202 1
1 874 . 16 1 1 A 81 81 CYS CA C 1844 64.552 62.573 1.979 1
1 875 . 16 1 1 A 81 81 CYS CB C 1844 30.495 27.058 3.437 1
1 876 . 16 1 1 A 81 81 CYS N N 1844 124.104 118.742 5.362 1
1 877 . 16 1 1 A 82 82 LEU H H 1845 8.170 8.344 -0.174 1
1 878 . 16 1 1 A 82 82 LEU HA H 1845 3.988 4.011 -0.023 1
1 888 . 16 1 1 A 82 82 LEU CA C 1845 57.962 58.195 -0.233 1
1 889 . 16 1 1 A 82 82 LEU CB C 1845 41.321 41.567 -0.246 1
1 893 . 16 1 1 A 82 82 LEU N N 1845 115.950 121.256 -5.306 1
1 894 . 16 1 1 A 83 83 ASN H H 1846 7.826 8.171 -0.345 1
1 895 . 16 1 1 A 83 83 ASN HA H 1846 4.447 4.667 -0.220 1
1 900 . 16 1 1 A 83 83 ASN CA C 1846 56.800 56.517 0.283 1
1 901 . 16 1 1 A 83 83 ASN CB C 1846 38.967 38.626 0.341 1
1 902 . 16 1 1 A 83 83 ASN N N 1846 116.117 117.519 -1.402 1
1 904 . 16 1 1 A 84 84 ILE H H 1847 8.607 8.235 0.372 1
1 905 . 16 1 1 A 84 84 ILE HA H 1847 3.718 3.643 0.075 1
1 915 . 16 1 1 A 84 84 ILE CA C 1847 64.787 65.362 -0.575 1
1 916 . 16 1 1 A 84 84 ILE CB C 1847 38.497 37.805 0.692 1
1 920 . 16 1 1 A 84 84 ILE N N 1847 121.553 120.667 0.886 1
1 921 . 16 1 1 A 85 85 LYS H H 1848 8.855 8.073 0.782 1
1 922 . 16 1 1 A 85 85 LYS HA H 1848 3.859 3.950 -0.091 1
1 931 . 16 1 1 A 85 85 LYS CA C 1848 60.551 59.384 1.167 1
1 932 . 16 1 1 A 85 85 LYS CB C 1848 32.613 32.342 0.271 1
1 936 . 16 1 1 A 85 85 LYS N N 1848 119.992 118.727 1.265 1
1 937 . 16 1 1 A 86 86 HIS H H 1849 8.100 7.990 0.110 1
1 938 . 16 1 1 A 86 86 HIS HA H 1849 4.411 4.268 0.143 1
1 943 . 16 1 1 A 86 86 HIS CA C 1849 58.433 60.166 -1.733 1
1 944 . 16 1 1 A 86 86 HIS CB C 1849 30.495 29.537 0.958 1
1 947 . 16 1 1 A 86 86 HIS N N 1849 117.237 119.753 -2.516 1
1 948 . 16 1 1 A 87 87 LYS H H 1850 7.685 8.032 -0.347 1
1 949 . 16 1 1 A 87 87 LYS HA H 1850 4.128 3.897 0.231 1
1 958 . 16 1 1 A 87 87 LYS CA C 1850 57.727 59.285 -1.558 1
1 959 . 16 1 1 A 87 87 LYS CB C 1850 32.378 32.565 -0.187 1
1 963 . 16 1 1 A 87 87 LYS N N 1850 119.118 118.413 0.705 1
1 964 . 16 1 1 A 88 88 LEU H H 1851 8.230 8.680 -0.450 1
1 965 . 16 1 1 A 88 88 LEU HA H 1851 4.174 3.940 0.234 1
1 975 . 16 1 1 A 88 88 LEU CA C 1851 56.800 57.862 -1.062 1
1 976 . 16 1 1 A 88 88 LEU CB C 1851 42.262 40.932 1.330 1
1 980 . 16 1 1 A 88 88 LEU N N 1851 119.305 120.002 -0.697 1
1 981 . 16 1 1 A 89 89 ARG H H 1852 7.765 8.121 -0.356 1
1 982 . 16 1 1 A 89 89 ARG HA H 1852 4.245 4.168 0.077 1
1 989 . 16 1 1 A 89 89 ARG CA C 1852 56.550 58.758 -2.208 1
1 990 . 16 1 1 A 89 89 ARG CB C 1852 30.260 29.935 0.325 1
1 993 . 16 1 1 A 89 89 ARG N N 1852 118.302 118.920 -0.618 1
1 994 . 16 1 1 A 90 90 GLN H H 1853 7.851 7.763 0.088 1
1 995 . 16 1 1 A 90 90 GLN HA H 1853 4.262 4.222 0.040 1
1 1002 . 16 1 1 A 90 90 GLN CA C 1853 55.609 57.529 -1.920 1
1 1003 . 16 1 1 A 90 90 GLN CB C 1853 29.554 28.617 0.937 1
1 1005 . 16 1 1 A 90 90 GLN N N 1853 119.450 117.233 2.217 1
1 1007 . 16 1 1 A 91 91 GLN H H 1854 8.710 7.524 1.186 1
1 1008 . 16 1 1 A 91 91 GLN HA H 1854 4.317 4.134 0.183 1
1 1015 . 16 1 1 A 91 91 GLN CA C 1854 55.609 58.130 -2.521 1
1 1016 . 16 1 1 A 91 91 GLN CB C 1854 29.554 28.669 0.885 1
1 1018 . 16 1 1 A 91 91 GLN N N 1854 120.675 117.953 2.722 1
1 1038 . 16 2 2 B 2 2 HIS HA H 51 4.636 4.530 0.106 1
1 1043 . 16 2 2 B 2 2 HIS CA C 51 55.844 57.901 -2.057 1
1 1044 . 16 2 2 B 2 2 HIS CB C 51 30.495 29.914 0.581 1
1 1047 . 16 2 2 B 3 3 MET H H 52 8.230 7.730 0.500 1
1 1048 . 16 2 2 B 3 3 MET HA H 52 4.430 5.044 -0.614 1
1 1053 . 16 2 2 B 3 3 MET CA C 52 54.903 54.241 0.662 1
1 1054 . 16 2 2 B 3 3 MET CB C 52 33.840 38.850 -5.010 1
1 1056 . 16 2 2 B 3 3 MET N N 52 121.881 116.722 5.159 1
1 1057 . 16 2 2 B 4 4 ALA H H 53 8.269 8.446 -0.177 1
1 1058 . 16 2 2 B 4 4 ALA HA H 53 4.586 4.756 -0.170 1
1 1062 . 16 2 2 B 4 4 ALA CA C 53 51.255 49.878 1.377 1
1 1063 . 16 2 2 B 4 4 ALA CB C 53 18.796 22.205 -3.409 1
1 1064 . 16 2 2 B 4 4 ALA N N 53 126.758 121.295 5.463 1
1 1065 . 16 2 2 B 5 5 PRO HA H 54 4.705 4.414 0.291 1
1 1072 . 16 2 2 B 5 5 PRO CA C 54 61.257 65.288 -4.031 1
1 1073 . 16 2 2 B 5 5 PRO CB C 54 30.966 31.862 -0.896 1
1 1076 . 16 2 2 B 6 6 GLU H H 55 8.468 7.677 0.791 1
1 1077 . 16 2 2 B 6 6 GLU HA H 55 4.150 4.701 -0.551 1
1 1082 . 16 2 2 B 6 6 GLU CA C 55 56.550 55.609 0.941 1
1 1083 . 16 2 2 B 6 6 GLU CB C 55 30.495 32.861 -2.366 1
1 1085 . 16 2 2 B 6 6 GLU N N 55 121.693 114.219 7.474 1
1 1086 . 16 2 2 B 7 7 ASP H H 56 8.574 8.640 -0.066 1
1 1087 . 16 2 2 B 7 7 ASP HA H 56 5.200 5.029 0.171 1
1 1090 . 16 2 2 B 7 7 ASP CA C 56 51.255 51.238 0.017 1
1 1091 . 16 2 2 B 7 7 ASP CB C 56 42.262 43.119 -0.857 1
1 1092 . 16 2 2 B 7 7 ASP N N 56 120.873 119.852 1.021 1
1 1093 . 16 2 2 B 8 8 PRO HA H 57 4.465 4.309 0.156 1
1 1100 . 16 2 2 B 8 8 PRO CA C 57 63.610 64.406 -0.796 1
1 1101 . 16 2 2 B 8 8 PRO CB C 57 32.378 32.052 0.326 1
1 1104 . 16 2 2 B 9 9 ASN H H 58 8.301 8.627 -0.326 1
1 1105 . 16 2 2 B 9 9 ASN HA H 58 4.809 4.601 0.208 1
1 1110 . 16 2 2 B 9 9 ASN CA C 58 53.558 54.442 -0.884 1
1 1111 . 16 2 2 B 9 9 ASN CB C 58 38.497 38.494 0.003 1
1 1112 . 16 2 2 B 9 9 ASN N N 58 117.190 115.910 1.280 1
1 1114 . 16 2 2 B 10 10 GLU H H 59 7.366 8.540 -1.174 1
1 1115 . 16 2 2 B 10 10 GLU HA H 59 3.641 4.016 -0.375 1
1 1120 . 16 2 2 B 10 10 GLU CA C 59 60.800 58.746 2.054 1
1 1121 . 16 2 2 B 10 10 GLU CB C 59 29.554 28.606 0.948 1
1 1123 . 16 2 2 B 10 10 GLU N N 59 122.354 118.440 3.914 1
1 1124 . 16 2 2 B 11 11 GLU H H 60 8.618 8.273 0.345 1
1 1125 . 16 2 2 B 11 11 GLU HA H 60 3.933 4.051 -0.118 1
1 1130 . 16 2 2 B 11 11 GLU CA C 60 59.139 59.382 -0.243 1
1 1131 . 16 2 2 B 11 11 GLU CB C 60 29.830 29.274 0.556 1
1 1133 . 16 2 2 B 11 11 GLU N N 60 120.391 120.447 -0.056 1
1 1134 . 16 2 2 B 12 12 ALA H H 61 8.280 7.360 0.920 1
1 1135 . 16 2 2 B 12 12 ALA HA H 61 4.180 4.044 0.136 1
1 1139 . 16 2 2 B 12 12 ALA CA C 61 55.205 54.946 0.259 1
1 1140 . 16 2 2 B 12 12 ALA CB C 61 20.695 18.597 2.098 1
1 1141 . 16 2 2 B 12 12 ALA N N 61 122.378 121.341 1.037 1
1 1142 . 16 2 2 B 13 13 VAL H H 62 7.773 7.590 0.183 1
1 1143 . 16 2 2 B 13 13 VAL HA H 62 3.974 3.121 0.853 1
1 1151 . 16 2 2 B 13 13 VAL CA C 62 66.199 66.717 -0.518 1
1 1152 . 16 2 2 B 13 13 VAL CB C 62 31.907 31.509 0.398 1
1 1155 . 16 2 2 B 13 13 VAL N N 62 116.653 118.821 -2.168 1
1 1156 . 16 2 2 B 14 14 SER H H 63 8.288 8.154 0.134 1
1 1157 . 16 2 2 B 14 14 SER HA H 63 4.620 3.966 0.654 1
1 1160 . 16 2 2 B 14 14 SER CA C 63 60.786 61.951 -1.165 1
1 1161 . 16 2 2 B 14 14 SER CB C 63 62.434 62.930 -0.496 1
1 1162 . 16 2 2 B 14 14 SER N N 63 115.328 115.581 -0.253 1
1 1163 . 16 2 2 B 15 15 GLN H H 64 7.775 7.861 -0.086 1
1 1164 . 16 2 2 B 15 15 GLN HA H 64 4.190 4.127 0.063 1
1 1171 . 16 2 2 B 15 15 GLN CA C 64 57.492 58.250 -0.758 1
1 1172 . 16 2 2 B 15 15 GLN CB C 64 28.613 27.034 1.579 1
1 1174 . 16 2 2 B 15 15 GLN N N 64 119.350 118.417 0.933 1
1 1176 . 16 2 2 B 16 16 ILE H H 65 7.217 7.359 -0.142 1
1 1177 . 16 2 2 B 16 16 ILE HA H 65 3.788 3.899 -0.111 1
1 1186 . 16 2 2 B 16 16 ILE CA C 65 61.492 62.983 -1.491 1
1 1187 . 16 2 2 B 16 16 ILE CB C 65 37.320 39.030 -1.710 1
1 1191 . 16 2 2 B 16 16 ILE N N 65 117.427 119.152 -1.725 1
1 1192 . 16 2 2 B 17 17 PHE H H 66 8.370 7.572 0.798 1
1 1193 . 16 2 2 B 17 17 PHE HA H 66 4.407 4.955 -0.548 1
1 1200 . 16 2 2 B 17 17 PHE CA C 66 55.374 55.018 0.356 1
1 1201 . 16 2 2 B 17 17 PHE CB C 66 42.270 39.770 2.500 1
1 1205 . 16 2 2 B 17 17 PHE N N 66 117.389 117.662 -0.273 1
1 1206 . 16 2 2 B 18 18 PRO HA H 67 4.784 4.539 0.245 1
1 1213 . 16 2 2 B 18 18 PRO CA C 67 62.669 64.046 -1.377 1
1 1214 . 16 2 2 B 18 18 PRO CB C 67 32.378 31.928 0.450 1
1 1217 . 16 2 2 B 19 19 ASP H H 68 9.127 7.765 1.362 1
1 1218 . 16 2 2 B 19 19 ASP HA H 68 4.261 4.969 -0.708 1
1 1221 . 16 2 2 B 19 19 ASP CA C 68 57.927 52.721 5.206 1
1 1222 . 16 2 2 B 19 19 ASP CB C 68 40.451 43.901 -3.450 1
1 1223 . 16 2 2 B 19 19 ASP N N 68 123.618 119.798 3.820 1
1 1224 . 16 2 2 B 20 20 SER H H 69 8.624 8.545 0.079 1
1 1225 . 16 2 2 B 20 20 SER HA H 69 4.816 4.365 0.451 1
1 1226 . 16 2 2 B 20 20 SER N N 69 112.914 116.599 -3.685 1
1 1227 . 16 2 2 B 21 21 VAL H H 70 7.380 7.418 -0.038 1
1 1228 . 16 2 2 B 21 21 VAL HA H 70 3.958 4.033 -0.075 1
1 1236 . 16 2 2 B 21 21 VAL CA C 70 64.316 61.970 2.346 1
1 1237 . 16 2 2 B 21 21 VAL CB C 70 32.378 32.617 -0.239 1
1 1240 . 16 2 2 B 21 21 VAL N N 70 123.280 119.356 3.924 1
1 1241 . 16 2 2 B 22 22 MET H H 71 7.638 8.793 -1.155 1
1 1242 . 16 2 2 B 22 22 MET HA H 71 4.266 4.567 -0.301 1
1 1248 . 16 2 2 B 22 22 MET CA C 71 55.844 54.482 1.362 1
1 1249 . 16 2 2 B 22 22 MET CB C 71 31.907 30.718 1.189 1
1 1251 . 16 2 2 B 22 22 MET N N 71 117.825 124.475 -6.650 1
1 1252 . 16 2 2 B 23 23 LEU H H 72 8.102 7.634 0.468 1
1 1253 . 16 2 2 B 23 23 LEU HA H 72 4.132 4.030 0.102 1
1 1263 . 16 2 2 B 23 23 LEU CA C 72 56.786 58.237 -1.451 1
1 1264 . 16 2 2 B 23 23 LEU CB C 72 42.270 41.682 0.588 1
1 1268 . 16 2 2 B 23 23 LEU N N 72 119.633 122.444 -2.811 1
1 1269 . 16 2 2 B 24 24 ALA H H 73 7.464 8.270 -0.806 1
1 1270 . 16 2 2 B 24 24 ALA HA H 73 4.197 4.182 0.015 1
1 1274 . 16 2 2 B 24 24 ALA CA C 73 84.840 54.629 30.211 1
1 1275 . 16 2 2 B 24 24 ALA CB C 73 19.266 18.537 0.729 1
1 1276 . 16 2 2 B 24 24 ALA N N 73 120.682 120.930 -0.248 1
1 1277 . 16 2 2 B 25 25 VAL H H 74 7.668 8.111 -0.443 1
1 1278 . 16 2 2 B 25 25 VAL HA H 74 4.258 3.827 0.431 1
1 1286 . 16 2 2 B 25 25 VAL CA C 74 62.434 64.310 -1.876 1
1 1287 . 16 2 2 B 25 25 VAL CB C 74 31.672 31.549 0.123 1
1 1290 . 16 2 2 B 25 25 VAL N N 74 112.530 116.917 -4.387 1
1 1291 . 16 2 2 B 26 26 GLN H H 75 7.806 8.213 -0.407 1
1 1292 . 16 2 2 B 26 26 GLN HA H 75 4.308 4.566 -0.258 1
1 1299 . 16 2 2 B 26 26 GLN CA C 75 56.786 55.833 0.953 1
1 1300 . 16 2 2 B 26 26 GLN CB C 75 29.554 30.767 -1.213 1
1 1302 . 16 2 2 B 26 26 GLN N N 75 121.794 116.905 4.889 1
1 1304 . 16 2 2 B 27 27 GLU H H 76 8.340 7.909 0.431 1
1 1305 . 16 2 2 B 27 27 GLU HA H 76 4.349 4.319 0.030 1
1 1310 . 16 2 2 B 27 27 GLU CA C 76 56.315 56.718 -0.403 1
1 1311 . 16 2 2 B 27 27 GLU CB C 76 30.495 31.053 -0.558 1
1 1313 . 16 2 2 B 27 27 GLU N N 76 120.410 121.171 -0.761 1
1 1314 . 16 2 2 B 28 28 GLY H H 77 8.295 8.604 -0.309 1
1 1315 . 16 2 2 B 28 28 GLY HA2 H 77 3.938 4.209 -0.271 1
1 1316 . 16 2 2 B 28 28 GLY HA3 H 77 4.190 4.211 -0.021 1
1 1317 . 16 2 2 B 28 28 GLY CA C 77 45.792 45.130 0.662 1
1 1318 . 16 2 2 B 28 28 GLY N N 77 109.255 110.155 -0.900 1
1 1319 . 16 2 2 B 29 29 ILE H H 78 7.889 8.451 -0.562 1
1 1320 . 16 2 2 B 29 29 ILE HA H 78 4.166 3.907 0.259 1
1 1330 . 16 2 2 B 29 29 ILE CA C 78 60.786 62.016 -1.230 1
1 1331 . 16 2 2 B 29 29 ILE CB C 78 39.203 38.041 1.162 1
1 1335 . 16 2 2 B 29 29 ILE N N 78 119.126 126.319 -7.193 1
1 1336 . 16 2 2 B 30 30 ASP H H 79 8.442 8.829 -0.387 1
1 1337 . 16 2 2 B 30 30 ASP HA H 79 4.577 4.788 -0.211 1
1 1340 . 16 2 2 B 30 30 ASP CA C 79 55.255 53.446 1.809 1
1 1341 . 16 2 2 B 30 30 ASP CB C 79 41.850 38.801 3.049 1
1 1342 . 16 2 2 B 30 30 ASP N N 79 123.665 129.439 -5.774 1
1 1343 . 16 2 2 B 31 31 LEU H H 80 8.141 7.744 0.397 1
1 1344 . 16 2 2 B 31 31 LEU HA H 80 4.292 3.957 0.335 1
1 1354 . 16 2 2 B 31 31 LEU CA C 80 55.205 57.346 -2.141 1
1 1355 . 16 2 2 B 31 31 LEU CB C 80 42.262 41.914 0.348 1
1 1359 . 16 2 2 B 31 31 LEU N N 80 122.359 121.924 0.435 1
1 1360 . 16 2 2 B 32 32 LEU H H 81 8.840 8.032 0.808 1
1 1361 . 16 2 2 B 32 32 LEU HA H 81 4.256 4.277 -0.021 1
1 1371 . 16 2 2 B 32 32 LEU CA C 81 54.903 57.275 -2.372 1
1 1372 . 16 2 2 B 32 32 LEU CB C 81 42.497 41.391 1.106 1
1 1376 . 16 2 2 B 32 32 LEU N N 81 120.762 118.447 2.315 1
1 1377 . 16 2 2 B 33 33 THR H H 82 7.728 8.026 -0.298 1
1 1378 . 16 2 2 B 33 33 THR HA H 82 4.226 4.057 0.169 1
1 1383 . 16 2 2 B 33 33 THR CA C 82 61.220 64.940 -3.720 1
1 1384 . 16 2 2 B 33 33 THR CB C 82 69.494 68.998 0.496 1
1 1386 . 16 2 2 B 33 33 THR N N 82 113.606 113.577 0.029 1
1 1387 . 16 2 2 B 34 34 PHE H H 83 8.181 7.861 0.320 1
1 1388 . 16 2 2 B 34 34 PHE HA H 83 4.825 4.650 0.175 1
1 1395 . 16 2 2 B 34 34 PHE CA C 83 55.138 55.909 -0.771 1
1 1396 . 16 2 2 B 34 34 PHE CB C 83 39.203 38.828 0.375 1
1 1399 . 16 2 2 B 34 34 PHE N N 83 123.600 117.755 5.845 1
1 1400 . 16 2 2 B 35 35 PRO HA H 84 4.765 4.467 0.298 1
1 1407 . 16 2 2 B 35 35 PRO CA C 84 62.900 61.584 1.316 1
1 1408 . 16 2 2 B 35 35 PRO CB C 84 32.538 31.610 0.928 1
1 1411 . 16 2 2 B 36 36 PRO HA H 85 4.422 4.206 0.216 1
1 1418 . 16 2 2 B 36 36 PRO CA C 85 62.434 62.289 0.145 1
1 1419 . 16 2 2 B 36 36 PRO CB C 85 32.143 32.165 -0.022 1
1 1422 . 16 2 2 B 37 37 ALA H H 86 8.370 8.169 0.201 1
1 1423 . 16 2 2 B 37 37 ALA HA H 86 4.429 4.510 -0.081 1
1 1427 . 16 2 2 B 37 37 ALA CA C 86 50.263 50.864 -0.601 1
1 1428 . 16 2 2 B 37 37 ALA CB C 86 19.972 17.832 2.140 1
1 1429 . 16 2 2 B 37 37 ALA N N 86 125.277 124.718 0.559 1
1 1430 . 16 2 2 B 38 38 PRO HA H 87 4.388 4.427 -0.039 1
1 1437 . 16 2 2 B 38 38 PRO CA C 87 63.140 64.000 -0.860 1
1 1438 . 16 2 2 B 38 38 PRO CB C 87 32.143 31.834 0.309 1
1 1441 . 16 2 2 B 39 39 GLY H H 88 8.503 8.482 0.021 1
1 1442 . 16 2 2 B 39 39 GLY HA2 H 88 3.895 3.954 -0.059 1
1 1443 . 16 2 2 B 39 39 GLY HA3 H 88 3.981 3.958 0.023 1
1 1444 . 16 2 2 B 39 39 GLY CA C 88 74.671 45.065 29.606 1
1 1445 . 16 2 2 B 39 39 GLY N N 88 109.831 107.087 2.744 1
1 1446 . 16 2 2 B 40 40 SER H H 89 8.800 7.374 1.426 1
1 1447 . 16 2 2 B 40 40 SER HA H 89 4.748 4.464 0.284 1
1 1450 . 16 2 2 B 40 40 SER CA C 89 56.800 56.950 -0.150 1
1 1451 . 16 2 2 B 40 40 SER CB C 89 63.140 63.548 -0.408 1
1 1452 . 16 2 2 B 40 40 SER N N 89 116.937 116.938 -0.001 1
1 1453 . 16 2 2 B 41 41 PRO HA H 90 4.441 4.359 0.082 1
1 1460 . 16 2 2 B 41 41 PRO CA C 90 63.140 64.088 -0.948 1
1 1461 . 16 2 2 B 41 41 PRO CB C 90 32.143 32.004 0.139 1
1 6 . 17 1 1 A 2 2 PRO HA H 1765 4.433 4.385 0.048 1
1 13 . 17 1 1 A 2 2 PRO CA C 1765 64.810 64.887 -0.077 1
1 14 . 17 1 1 A 2 2 PRO CB C 1765 31.907 32.114 -0.207 1
1 17 . 17 1 1 A 3 3 GLN H H 1766 8.442 7.783 0.659 1
1 18 . 17 1 1 A 3 3 GLN HA H 1766 3.889 4.103 -0.214 1
1 25 . 17 1 1 A 3 3 GLN CA C 1766 59.103 59.032 0.071 1
1 26 . 17 1 1 A 3 3 GLN CB C 1766 28.595 28.221 0.374 1
1 28 . 17 1 1 A 3 3 GLN N N 1766 115.685 117.397 -1.712 1
1 30 . 17 1 1 A 4 4 GLU H H 1767 8.161 8.260 -0.099 1
1 31 . 17 1 1 A 4 4 GLU HA H 1767 4.197 4.084 0.113 1
1 36 . 17 1 1 A 4 4 GLU CA C 1767 57.727 59.208 -1.481 1
1 37 . 17 1 1 A 4 4 GLU CB C 1767 30.250 29.363 0.887 1
1 39 . 17 1 1 A 4 4 GLU N N 1767 121.941 119.804 2.137 1
1 40 . 17 1 1 A 5 5 SER H H 1768 8.291 8.353 -0.062 1
1 41 . 17 1 1 A 5 5 SER HA H 1768 4.280 4.171 0.109 1
1 44 . 17 1 1 A 5 5 SER CA C 1768 60.800 61.297 -0.497 1
1 45 . 17 1 1 A 5 5 SER CB C 1768 63.435 62.421 1.014 1
1 46 . 17 1 1 A 5 5 SER N N 1768 116.360 115.550 0.810 1
1 47 . 17 1 1 A 6 6 ARG H H 1769 7.935 7.811 0.124 1
1 48 . 17 1 1 A 6 6 ARG HA H 1769 4.120 4.001 0.119 1
1 52 . 17 1 1 A 6 6 ARG N N 1769 122.139 122.452 -0.313 1
1 53 . 17 1 1 A 7 7 ARG H H 1770 7.952 7.550 0.402 1
1 54 . 17 1 1 A 7 7 ARG HA H 1770 3.939 4.073 -0.134 1
1 61 . 17 1 1 A 7 7 ARG N N 1770 119.527 119.830 -0.303 1
1 62 . 17 1 1 A 8 8 LEU H H 1771 8.120 8.589 -0.469 1
1 63 . 17 1 1 A 8 8 LEU HA H 1771 4.188 4.055 0.133 1
1 73 . 17 1 1 A 8 8 LEU CA C 1771 56.786 57.595 -0.809 1
1 74 . 17 1 1 A 8 8 LEU CB C 1771 41.556 41.104 0.452 1
1 78 . 17 1 1 A 8 8 LEU N N 1771 120.237 120.011 0.226 1
1 79 . 17 1 1 A 9 9 SER H H 1772 8.860 7.742 1.118 1
1 80 . 17 1 1 A 9 9 SER HA H 1772 4.224 3.989 0.235 1
1 83 . 17 1 1 A 9 9 SER CA C 1772 61.728 62.248 -0.520 1
1 84 . 17 1 1 A 9 9 SER CB C 1772 62.198 63.091 -0.893 1
1 85 . 17 1 1 A 9 9 SER N N 1772 116.214 114.458 1.756 1
1 86 . 17 1 1 A 10 10 ILE H H 1773 8.133 7.660 0.473 1
1 87 . 17 1 1 A 10 10 ILE HA H 1773 3.510 3.531 -0.021 1
1 97 . 17 1 1 A 10 10 ILE CA C 1773 64.787 65.173 -0.386 1
1 98 . 17 1 1 A 10 10 ILE CB C 1773 38.732 37.380 1.352 1
1 102 . 17 1 1 A 10 10 ILE N N 1773 122.927 121.319 1.608 1
1 103 . 17 1 1 A 11 11 GLN H H 1774 8.250 7.816 0.434 1
1 104 . 17 1 1 A 11 11 GLN HA H 1774 3.980 4.078 -0.098 1
1 111 . 17 1 1 A 11 11 GLN CA C 1774 58.900 58.154 0.746 1
1 113 . 17 1 1 A 11 11 GLN N N 1774 118.893 119.991 -1.098 1
1 115 . 17 1 1 A 12 12 ARG H H 1775 8.272 7.870 0.402 1
1 116 . 17 1 1 A 12 12 ARG HA H 1775 4.168 4.070 0.098 1
1 123 . 17 1 1 A 12 12 ARG CA C 1775 57.730 59.413 -1.683 1
1 126 . 17 1 1 A 12 12 ARG N N 1775 119.560 119.197 0.363 1
1 127 . 17 1 1 A 13 13 CYS HA H 1776 4.176 4.139 0.037 1
1 130 . 17 1 1 A 13 13 CYS CA C 1776 63.610 62.191 1.419 1
1 131 . 17 1 1 A 13 13 CYS CB C 1776 26.965 27.431 -0.466 1
1 132 . 17 1 1 A 14 14 ILE H H 1777 8.597 8.026 0.571 1
1 133 . 17 1 1 A 14 14 ILE HA H 1777 3.735 3.716 0.019 1
1 143 . 17 1 1 A 14 14 ILE CA C 1777 65.220 64.915 0.305 1
1 144 . 17 1 1 A 14 14 ILE CB C 1777 37.320 37.152 0.168 1
1 148 . 17 1 1 A 14 14 ILE N N 1777 120.174 120.587 -0.413 1
1 149 . 17 1 1 A 15 15 GLN H H 1778 8.105 8.147 -0.042 1
1 150 . 17 1 1 A 15 15 GLN HA H 1778 4.700 4.044 0.656 1
1 157 . 17 1 1 A 15 15 GLN CA C 1778 59.139 58.999 0.140 1
1 158 . 17 1 1 A 15 15 GLN CB C 1778 28.377 28.778 -0.401 1
1 160 . 17 1 1 A 15 15 GLN N N 1778 119.677 120.430 -0.753 1
1 162 . 17 1 1 A 16 16 SER H H 1779 8.115 7.670 0.445 1
1 163 . 17 1 1 A 16 16 SER HA H 1779 4.407 4.122 0.285 1
1 166 . 17 1 1 A 16 16 SER CA C 1779 61.963 62.547 -0.584 1
1 167 . 17 1 1 A 16 16 SER CB C 1779 63.425 62.747 0.678 1
1 168 . 17 1 1 A 16 16 SER N N 1779 116.542 116.523 0.019 1
1 169 . 17 1 1 A 17 17 LEU H H 1780 8.496 7.963 0.533 1
1 170 . 17 1 1 A 17 17 LEU HA H 1780 3.970 4.025 -0.055 1
1 180 . 17 1 1 A 17 17 LEU CA C 1780 58.286 58.355 -0.069 1
1 181 . 17 1 1 A 17 17 LEU CB C 1780 42.262 41.892 0.370 1
1 185 . 17 1 1 A 17 17 LEU N N 1780 124.870 123.252 1.618 1
1 186 . 17 1 1 A 18 18 VAL H H 1781 8.540 8.073 0.467 1
1 187 . 17 1 1 A 18 18 VAL HA H 1781 3.246 3.521 -0.275 1
1 195 . 17 1 1 A 18 18 VAL CA C 1781 66.905 66.791 0.114 1
1 196 . 17 1 1 A 18 18 VAL CB C 1781 31.672 31.660 0.012 1
1 199 . 17 1 1 A 18 18 VAL N N 1781 119.345 119.138 0.207 1
1 200 . 17 1 1 A 19 19 HIS H H 1782 7.944 8.303 -0.359 1
1 201 . 17 1 1 A 19 19 HIS HA H 1782 4.191 4.089 0.102 1
1 206 . 17 1 1 A 19 19 HIS CA C 1782 59.845 60.258 -0.413 1
1 207 . 17 1 1 A 19 19 HIS CB C 1782 26.965 29.889 -2.924 1
1 210 . 17 1 1 A 19 19 HIS N N 1782 116.521 119.112 -2.591 1
1 211 . 17 1 1 A 20 20 ALA H H 1783 9.830 8.460 1.370 1
1 212 . 17 1 1 A 20 20 ALA HA H 1783 4.367 4.072 0.295 1
1 216 . 17 1 1 A 20 20 ALA CA C 1783 55.191 54.961 0.230 1
1 217 . 17 1 1 A 20 20 ALA CB C 1783 20.695 18.288 2.407 1
1 218 . 17 1 1 A 20 20 ALA N N 1783 121.753 120.495 1.258 1
1 219 . 17 1 1 A 21 21 CYS H H 1784 7.913 7.534 0.379 1
1 220 . 17 1 1 A 21 21 CYS HA H 1784 4.236 4.365 -0.129 1
1 223 . 17 1 1 A 21 21 CYS CA C 1784 61.963 60.422 1.541 1
1 224 . 17 1 1 A 21 21 CYS CB C 1784 26.965 26.911 0.054 1
1 225 . 17 1 1 A 21 21 CYS N N 1784 112.237 115.404 -3.167 1
1 226 . 17 1 1 A 22 22 GLN H H 1785 7.320 8.099 -0.779 1
1 227 . 17 1 1 A 22 22 GLN HA H 1785 4.475 4.410 0.065 1
1 234 . 17 1 1 A 22 22 GLN CA C 1785 54.970 55.235 -0.265 1
1 235 . 17 1 1 A 22 22 GLN CB C 1785 30.731 29.763 0.968 1
1 237 . 17 1 1 A 22 22 GLN N N 1785 115.939 115.542 0.397 1
1 239 . 17 1 1 A 23 23 CYS H H 1786 7.268 7.491 -0.223 1
1 240 . 17 1 1 A 23 23 CYS HA H 1786 3.898 4.110 -0.212 1
1 243 . 17 1 1 A 23 23 CYS CA C 1786 60.800 59.983 0.817 1
1 244 . 17 1 1 A 23 23 CYS CB C 1786 28.848 28.650 0.198 1
1 245 . 17 1 1 A 23 23 CYS N N 1786 124.452 119.638 4.814 1
1 246 . 17 1 1 A 24 24 ARG H H 1787 8.854 8.575 0.279 1
1 247 . 17 1 1 A 24 24 ARG HA H 1787 4.539 4.073 0.466 1
1 254 . 17 1 1 A 24 24 ARG CA C 1787 54.735 57.759 -3.024 1
1 255 . 17 1 1 A 24 24 ARG CB C 1787 30.250 29.752 0.498 1
1 258 . 17 1 1 A 24 24 ARG N N 1787 130.523 125.466 5.057 1
1 259 . 17 1 1 A 25 25 ASN H H 1788 7.553 7.751 -0.198 1
1 260 . 17 1 1 A 25 25 ASN HA H 1788 4.799 4.966 -0.167 1
1 265 . 17 1 1 A 25 25 ASN CA C 1788 51.911 52.100 -0.189 1
1 266 . 17 1 1 A 25 25 ASN CB C 1788 39.203 40.311 -1.108 1
1 267 . 17 1 1 A 25 25 ASN N N 1788 119.613 118.208 1.405 1
1 269 . 17 1 1 A 26 26 ALA H H 1789 9.185 9.053 0.132 1
1 270 . 17 1 1 A 26 26 ALA HA H 1789 4.740 4.021 0.719 1
1 274 . 17 1 1 A 26 26 ALA CA C 1789 54.264 54.830 -0.566 1
1 275 . 17 1 1 A 26 26 ALA CB C 1789 18.796 18.478 0.318 1
1 276 . 17 1 1 A 26 26 ALA N N 1789 130.841 128.844 1.997 1
1 277 . 17 1 1 A 27 27 ASN H H 1790 8.520 7.756 0.764 1
1 278 . 17 1 1 A 27 27 ASN HA H 1790 4.761 4.785 -0.024 1
1 283 . 17 1 1 A 27 27 ASN CA C 1790 51.911 53.615 -1.704 1
1 284 . 17 1 1 A 27 27 ASN CB C 1790 38.967 39.053 -0.086 1
1 285 . 17 1 1 A 27 27 ASN N N 1790 113.345 113.862 -0.517 1
1 287 . 17 1 1 A 28 28 CYS H H 1791 7.224 7.303 -0.079 1
1 288 . 17 1 1 A 28 28 CYS HA H 1791 4.950 4.245 0.705 1
1 291 . 17 1 1 A 28 28 CYS CA C 1791 61.257 60.079 1.178 1
1 292 . 17 1 1 A 28 28 CYS CB C 1791 30.495 28.751 1.744 1
1 293 . 17 1 1 A 28 28 CYS N N 1791 123.463 120.694 2.769 1
1 294 . 17 1 1 A 29 29 SER H H 1792 8.811 8.876 -0.065 1
1 295 . 17 1 1 A 29 29 SER HA H 1792 4.449 4.400 0.049 1
1 298 . 17 1 1 A 29 29 SER CA C 1792 57.492 59.525 -2.033 1
1 299 . 17 1 1 A 29 29 SER CB C 1792 63.835 63.311 0.524 1
1 300 . 17 1 1 A 29 29 SER N N 1792 125.781 122.311 3.470 1
1 301 . 17 1 1 A 30 30 LEU H H 1793 7.851 7.321 0.530 1
1 302 . 17 1 1 A 30 30 LEU HA H 1793 4.507 4.401 0.106 1
1 312 . 17 1 1 A 30 30 LEU CA C 1793 53.558 53.146 0.412 1
1 313 . 17 1 1 A 30 30 LEU CB C 1793 42.270 43.259 -0.989 1
1 317 . 17 1 1 A 30 30 LEU N N 1793 125.656 124.538 1.118 1
1 318 . 17 1 1 A 31 31 PRO HA H 1794 4.363 4.256 0.107 1
1 325 . 17 1 1 A 31 31 PRO CA C 1794 64.787 64.883 -0.096 1
1 326 . 17 1 1 A 31 31 PRO CB C 1794 32.708 31.925 0.783 1
1 329 . 17 1 1 A 32 32 SER H H 1795 8.625 8.244 0.381 1
1 330 . 17 1 1 A 32 32 SER HA H 1795 4.309 4.165 0.144 1
1 332 . 17 1 1 A 32 32 SER CA C 1795 60.124 61.556 -1.432 1
1 333 . 17 1 1 A 32 32 SER CB C 1795 62.982 62.604 0.378 1
1 334 . 17 1 1 A 32 32 SER N N 1795 112.707 113.436 -0.729 1
1 335 . 17 1 1 A 33 33 CYS H H 1796 6.679 8.035 -1.356 1
1 336 . 17 1 1 A 33 33 CYS HA H 1796 4.108 3.994 0.114 1
1 339 . 17 1 1 A 33 33 CYS CA C 1796 62.669 62.678 -0.009 1
1 340 . 17 1 1 A 33 33 CYS CB C 1796 30.495 26.532 3.963 1
1 341 . 17 1 1 A 33 33 CYS N N 1796 126.200 121.203 4.997 1
1 342 . 17 1 1 A 34 34 GLN H H 1797 7.870 8.388 -0.518 1
1 343 . 17 1 1 A 34 34 GLN HA H 1797 3.867 3.912 -0.045 1
1 350 . 17 1 1 A 34 34 GLN CA C 1797 59.140 59.469 -0.329 1
1 351 . 17 1 1 A 34 34 GLN CB C 1797 31.360 28.329 3.031 1
1 353 . 17 1 1 A 34 34 GLN N N 1797 115.529 119.620 -4.091 1
1 355 . 17 1 1 A 35 35 LYS H H 1798 8.340 7.982 0.358 1
1 356 . 17 1 1 A 35 35 LYS HA H 1798 4.240 4.014 0.226 1
1 365 . 17 1 1 A 35 35 LYS CA C 1798 58.904 59.380 -0.476 1
1 366 . 17 1 1 A 35 35 LYS CB C 1798 32.686 32.370 0.316 1
1 370 . 17 1 1 A 35 35 LYS N N 1798 117.144 119.590 -2.446 1
1 371 . 17 1 1 A 36 36 MET H H 1799 8.163 8.136 0.027 1
1 372 . 17 1 1 A 36 36 MET HA H 1799 4.369 4.118 0.251 1
1 380 . 17 1 1 A 36 36 MET CA C 1799 56.474 58.543 -2.069 1
1 381 . 17 1 1 A 36 36 MET CB C 1799 31.110 32.046 -0.936 1
1 384 . 17 1 1 A 36 36 MET N N 1799 117.485 118.990 -1.505 1
1 385 . 17 1 1 A 37 37 LYS H H 1800 9.337 8.333 1.004 1
1 386 . 17 1 1 A 37 37 LYS HA H 1800 3.840 3.962 -0.122 1
1 395 . 17 1 1 A 37 37 LYS CA C 1800 61.200 60.045 1.155 1
1 396 . 17 1 1 A 37 37 LYS CB C 1800 32.691 32.161 0.530 1
1 400 . 17 1 1 A 37 37 LYS N N 1800 120.830 119.116 1.714 1
1 401 . 17 1 1 A 38 38 ARG H H 1801 7.399 7.568 -0.169 1
1 402 . 17 1 1 A 38 38 ARG HA H 1801 4.490 4.040 0.450 1
1 409 . 17 1 1 A 38 38 ARG CA C 1801 59.263 59.413 -0.150 1
1 410 . 17 1 1 A 38 38 ARG CB C 1801 31.179 30.043 1.136 1
1 413 . 17 1 1 A 38 38 ARG N N 1801 118.965 119.829 -0.864 1
1 414 . 17 1 1 A 39 39 VAL H H 1802 8.420 7.844 0.576 1
1 415 . 17 1 1 A 39 39 VAL HA H 1802 3.239 3.783 -0.544 1
1 423 . 17 1 1 A 39 39 VAL CA C 1802 67.140 65.501 1.639 1
1 424 . 17 1 1 A 39 39 VAL CB C 1802 31.685 31.457 0.228 1
1 427 . 17 1 1 A 39 39 VAL N N 1802 123.140 115.747 7.393 1
1 428 . 17 1 1 A 40 40 VAL H H 1803 8.195 8.189 0.006 1
1 429 . 17 1 1 A 40 40 VAL HA H 1803 3.403 3.595 -0.192 1
1 437 . 17 1 1 A 40 40 VAL CA C 1803 66.905 66.888 0.017 1
1 438 . 17 1 1 A 40 40 VAL CB C 1803 31.907 31.558 0.349 1
1 441 . 17 1 1 A 40 40 VAL N N 1803 118.716 121.038 -2.322 1
1 442 . 17 1 1 A 41 41 GLN H H 1804 8.310 8.317 -0.007 1
1 443 . 17 1 1 A 41 41 GLN HA H 1804 3.916 4.069 -0.153 1
1 450 . 17 1 1 A 41 41 GLN CA C 1804 58.591 58.680 -0.089 1
1 451 . 17 1 1 A 41 41 GLN CB C 1804 28.561 28.461 0.100 1
1 453 . 17 1 1 A 41 41 GLN N N 1804 119.193 118.430 0.763 1
1 455 . 17 1 1 A 42 42 HIS H H 1805 8.152 7.989 0.163 1
1 456 . 17 1 1 A 42 42 HIS HA H 1805 4.222 4.317 -0.095 1
1 461 . 17 1 1 A 42 42 HIS CA C 1805 59.139 59.478 -0.339 1
1 462 . 17 1 1 A 42 42 HIS CB C 1805 27.201 30.286 -3.085 1
1 465 . 17 1 1 A 42 42 HIS N N 1805 118.579 121.506 -2.927 1
1 466 . 17 1 1 A 43 43 THR H H 1806 7.997 8.581 -0.584 1
1 467 . 17 1 1 A 43 43 THR HA H 1806 3.888 4.063 -0.175 1
1 473 . 17 1 1 A 43 43 THR CA C 1806 65.728 65.421 0.307 1
1 474 . 17 1 1 A 43 43 THR CB C 1806 69.023 68.978 0.045 1
1 476 . 17 1 1 A 43 43 THR N N 1806 113.599 113.822 -0.223 1
1 477 . 17 1 1 A 44 44 LYS H H 1807 7.381 8.744 -1.363 1
1 478 . 17 1 1 A 44 44 LYS HA H 1807 4.190 4.213 -0.023 1
1 487 . 17 1 1 A 44 44 LYS CA C 1807 58.668 58.117 0.551 1
1 488 . 17 1 1 A 44 44 LYS CB C 1807 32.731 31.420 1.311 1
1 492 . 17 1 1 A 44 44 LYS N N 1807 120.270 119.437 0.833 1
1 493 . 17 1 1 A 45 45 GLY H H 1808 7.610 7.933 -0.323 1
1 494 . 17 1 1 A 45 45 GLY HA2 H 1808 3.610 4.069 -0.459 1
1 495 . 17 1 1 A 45 45 GLY HA3 H 1808 4.380 4.084 0.296 1
1 496 . 17 1 1 A 45 45 GLY CA C 1808 44.851 45.341 -0.490 1
1 497 . 17 1 1 A 45 45 GLY N N 1808 125.480 106.408 19.072 1
1 498 . 17 1 1 A 46 46 CYS H H 1809 6.898 7.521 -0.623 1
1 499 . 17 1 1 A 46 46 CYS HA H 1809 3.957 4.181 -0.224 1
1 502 . 17 1 1 A 46 46 CYS CA C 1809 60.551 59.439 1.112 1
1 503 . 17 1 1 A 46 46 CYS CB C 1809 30.260 28.813 1.447 1
1 504 . 17 1 1 A 46 46 CYS N N 1809 123.457 120.143 3.314 1
1 505 . 17 1 1 A 47 47 LYS HA H 1810 4.471 4.168 0.303 1
1 514 . 17 1 1 A 47 47 LYS CA C 1810 56.800 58.181 -1.381 1
1 515 . 17 1 1 A 47 47 LYS CB C 1810 33.840 32.303 1.537 1
1 518 . 17 1 1 A 48 48 ARG H H 1811 8.575 7.595 0.980 1
1 519 . 17 1 1 A 48 48 ARG HA H 1811 4.366 4.448 -0.082 1
1 526 . 17 1 1 A 48 48 ARG CA C 1811 57.256 56.632 0.624 1
1 527 . 17 1 1 A 48 48 ARG CB C 1811 32.143 32.208 -0.065 1
1 530 . 17 1 1 A 48 48 ARG N N 1811 122.731 117.087 5.644 1
1 531 . 17 1 1 A 49 49 LYS H H 1812 8.663 7.734 0.929 1
1 532 . 17 1 1 A 49 49 LYS HA H 1812 4.521 4.116 0.405 1
1 539 . 17 1 1 A 49 49 LYS CA C 1812 57.256 58.301 -1.045 1
1 540 . 17 1 1 A 49 49 LYS CB C 1812 32.378 31.047 1.331 1
1 543 . 17 1 1 A 49 49 LYS N N 1812 118.409 117.970 0.439 1
1 544 . 17 1 1 A 50 50 THR HA H 1813 4.710 3.932 0.778 1
1 549 . 17 1 1 A 50 50 THR CA C 1813 63.846 65.767 -1.921 1
1 550 . 17 1 1 A 50 50 THR CB C 1813 68.317 68.499 -0.182 1
1 552 . 17 1 1 A 51 51 ASN HA H 1814 4.676 4.422 0.254 1
1 557 . 17 1 1 A 51 51 ASN CA C 1814 82.908 55.716 27.192 1
1 558 . 17 1 1 A 51 51 ASN CB C 1814 38.732 37.314 1.418 1
1 560 . 17 1 1 A 52 52 GLY H H 1815 7.879 7.620 0.259 1
1 561 . 17 1 1 A 52 52 GLY HA2 H 1815 4.300 3.935 0.365 1
1 562 . 17 1 1 A 52 52 GLY HA3 H 1815 3.831 3.939 -0.108 1
1 563 . 17 1 1 A 52 52 GLY CA C 1815 45.557 45.335 0.222 1
1 564 . 17 1 1 A 52 52 GLY N N 1815 129.890 106.842 23.048 1
1 565 . 17 1 1 A 53 53 GLY H H 1816 7.765 7.656 0.109 1
1 566 . 17 1 1 A 53 53 GLY HA2 H 1816 3.885 3.953 -0.068 1
1 567 . 17 1 1 A 53 53 GLY HA3 H 1816 3.985 3.956 0.029 1
1 568 . 17 1 1 A 53 53 GLY CA C 1816 45.792 45.405 0.387 1
1 569 . 17 1 1 A 53 53 GLY N N 1816 128.949 108.003 20.946 1
1 570 . 17 1 1 A 54 54 CYS H H 1817 8.800 7.839 0.961 1
1 571 . 17 1 1 A 54 54 CYS HA H 1817 4.821 4.601 0.220 1
1 574 . 17 1 1 A 54 54 CYS CA C 1817 55.138 57.347 -2.209 1
1 575 . 17 1 1 A 54 54 CYS CB C 1817 30.966 28.796 2.170 1
1 576 . 17 1 1 A 54 54 CYS N N 1817 122.429 119.639 2.790 1
1 577 . 17 1 1 A 55 55 PRO HA H 1818 4.330 4.305 0.025 1
1 584 . 17 1 1 A 55 55 PRO CA C 1818 64.787 65.446 -0.659 1
1 585 . 17 1 1 A 55 55 PRO CB C 1818 32.613 31.911 0.702 1
1 588 . 17 1 1 A 56 56 VAL H H 1819 7.750 7.402 0.348 1
1 589 . 17 1 1 A 56 56 VAL HA H 1819 3.884 3.552 0.332 1
1 597 . 17 1 1 A 56 56 VAL CA C 1819 65.728 66.369 -0.641 1
1 598 . 17 1 1 A 56 56 VAL CB C 1819 32.849 31.182 1.667 1
1 601 . 17 1 1 A 56 56 VAL N N 1819 121.605 115.704 5.901 1
1 602 . 17 1 1 A 57 57 CYS H H 1820 8.884 8.015 0.869 1
1 603 . 17 1 1 A 57 57 CYS HA H 1820 4.106 3.870 0.236 1
1 606 . 17 1 1 A 57 57 CYS CA C 1820 65.728 63.555 2.173 1
1 607 . 17 1 1 A 57 57 CYS CB C 1820 30.250 27.141 3.109 1
1 608 . 17 1 1 A 57 57 CYS N N 1820 124.260 117.480 6.780 1
1 609 . 17 1 1 A 58 58 LYS H H 1821 8.133 8.124 0.009 1
1 610 . 17 1 1 A 58 58 LYS HA H 1821 3.942 3.833 0.109 1
1 619 . 17 1 1 A 58 58 LYS CA C 1821 59.610 59.712 -0.102 1
1 620 . 17 1 1 A 58 58 LYS CB C 1821 32.849 32.459 0.390 1
1 624 . 17 1 1 A 58 58 LYS N N 1821 117.129 120.998 -3.869 1
1 625 . 17 1 1 A 59 59 GLN H H 1822 7.318 7.753 -0.435 1
1 626 . 17 1 1 A 59 59 GLN HA H 1822 4.357 4.019 0.338 1
1 632 . 17 1 1 A 59 59 GLN N N 1822 117.943 118.965 -1.022 1
1 633 . 17 1 1 A 60 60 LEU H H 1823 8.667 7.622 1.045 1
1 634 . 17 1 1 A 60 60 LEU HA H 1823 4.950 3.929 1.021 1
1 647 . 17 1 1 A 60 60 LEU N N 1823 120.670 121.901 -1.231 1
1 648 . 17 1 1 A 61 61 ILE H H 1824 8.780 8.205 0.575 1
1 649 . 17 1 1 A 61 61 ILE HA H 1824 3.614 3.617 -0.003 1
1 659 . 17 1 1 A 61 61 ILE CA C 1824 64.787 65.348 -0.561 1
1 660 . 17 1 1 A 61 61 ILE CB C 1824 37.320 37.162 0.158 1
1 664 . 17 1 1 A 61 61 ILE N N 1824 119.837 119.610 0.227 1
1 665 . 17 1 1 A 62 62 ALA H H 1825 7.675 8.356 -0.681 1
1 666 . 17 1 1 A 62 62 ALA HA H 1825 4.112 4.032 0.080 1
1 670 . 17 1 1 A 62 62 ALA CA C 1825 55.374 55.201 0.173 1
1 671 . 17 1 1 A 62 62 ALA CB C 1825 18.560 18.069 0.491 1
1 672 . 17 1 1 A 62 62 ALA N N 1825 122.779 122.434 0.345 1
1 673 . 17 1 1 A 63 63 LEU H H 1826 7.983 7.707 0.276 1
1 674 . 17 1 1 A 63 63 LEU HA H 1826 4.114 4.085 0.029 1
1 684 . 17 1 1 A 63 63 LEU CA C 1826 58.334 57.921 0.413 1
1 685 . 17 1 1 A 63 63 LEU CB C 1826 42.821 41.110 1.711 1
1 689 . 17 1 1 A 63 63 LEU N N 1826 118.291 118.530 -0.239 1
1 690 . 17 1 1 A 64 64 CYS H H 1827 8.663 8.121 0.542 1
1 691 . 17 1 1 A 64 64 CYS HA H 1827 4.350 4.232 0.118 1
1 694 . 17 1 1 A 64 64 CYS CA C 1827 64.800 62.840 1.960 1
1 695 . 17 1 1 A 64 64 CYS CB C 1827 26.495 26.340 0.155 1
1 696 . 17 1 1 A 64 64 CYS N N 1827 118.409 117.684 0.725 1
1 697 . 17 1 1 A 65 65 CYS H H 1828 8.672 8.523 0.149 1
1 698 . 17 1 1 A 65 65 CYS HA H 1828 4.152 4.139 0.013 1
1 701 . 17 1 1 A 65 65 CYS CA C 1828 63.547 63.698 -0.151 1
1 702 . 17 1 1 A 65 65 CYS CB C 1828 26.495 27.861 -1.366 1
1 703 . 17 1 1 A 65 65 CYS N N 1828 118.996 119.411 -0.415 1
1 704 . 17 1 1 A 66 66 TYR H H 1829 7.837 8.416 -0.579 1
1 705 . 17 1 1 A 66 66 TYR HA H 1829 4.199 4.253 -0.054 1
1 712 . 17 1 1 A 66 66 TYR CA C 1829 61.220 61.825 -0.605 1
1 713 . 17 1 1 A 66 66 TYR CB C 1829 38.261 38.594 -0.333 1
1 716 . 17 1 1 A 66 66 TYR N N 1829 120.650 122.666 -2.016 1
1 717 . 17 1 1 A 67 67 HIS H H 1830 8.323 8.404 -0.081 1
1 718 . 17 1 1 A 67 67 HIS HA H 1830 4.341 4.413 -0.072 1
1 723 . 17 1 1 A 67 67 HIS CA C 1830 58.668 60.402 -1.734 1
1 724 . 17 1 1 A 67 67 HIS CB C 1830 27.907 29.916 -2.009 1
1 727 . 17 1 1 A 67 67 HIS N N 1830 117.149 119.395 -2.246 1
1 728 . 17 1 1 A 68 68 ALA H H 1831 8.693 8.554 0.139 1
1 729 . 17 1 1 A 68 68 ALA HA H 1831 4.250 4.051 0.199 1
1 733 . 17 1 1 A 68 68 ALA CA C 1831 55.205 55.425 -0.220 1
1 734 . 17 1 1 A 68 68 ALA CB C 1831 20.695 18.522 2.173 1
1 735 . 17 1 1 A 68 68 ALA N N 1831 121.519 120.871 0.648 1
1 736 . 17 1 1 A 69 69 LYS H H 1832 7.126 8.197 -1.071 1
1 737 . 17 1 1 A 69 69 LYS HA H 1832 3.737 4.088 -0.351 1
1 746 . 17 1 1 A 69 69 LYS CA C 1832 57.962 59.553 -1.591 1
1 747 . 17 1 1 A 69 69 LYS CB C 1832 32.613 31.704 0.909 1
1 751 . 17 1 1 A 69 69 LYS N N 1832 114.376 119.009 -4.633 1
1 752 . 17 1 1 A 70 70 HIS H H 1833 6.884 7.378 -0.494 1
1 753 . 17 1 1 A 70 70 HIS HA H 1833 4.711 4.388 0.323 1
1 758 . 17 1 1 A 70 70 HIS CA C 1833 54.970 57.859 -2.889 1
1 759 . 17 1 1 A 70 70 HIS CB C 1833 31.201 31.115 0.086 1
1 762 . 17 1 1 A 70 70 HIS N N 1833 113.369 114.472 -1.103 1
1 763 . 17 1 1 A 71 71 CYS H H 1834 6.969 7.555 -0.586 1
1 764 . 17 1 1 A 71 71 CYS HA H 1834 4.210 4.227 -0.017 1
1 767 . 17 1 1 A 71 71 CYS CA C 1834 60.800 60.075 0.725 1
1 768 . 17 1 1 A 71 71 CYS CB C 1834 30.250 27.919 2.331 1
1 769 . 17 1 1 A 71 71 CYS N N 1834 123.813 117.958 5.855 1
1 770 . 17 1 1 A 72 72 GLN H H 1835 9.101 8.765 0.336 1
1 771 . 17 1 1 A 72 72 GLN HA H 1835 4.646 4.619 0.027 1
1 778 . 17 1 1 A 72 72 GLN CA C 1835 54.735 55.526 -0.791 1
1 779 . 17 1 1 A 72 72 GLN CB C 1835 29.319 30.209 -0.890 1
1 781 . 17 1 1 A 72 72 GLN N N 1835 128.430 122.956 5.474 1
1 783 . 17 1 1 A 73 73 GLU H H 1836 8.331 7.320 1.011 1
1 784 . 17 1 1 A 73 73 GLU HA H 1836 4.365 4.334 0.031 1
1 788 . 17 1 1 A 73 73 GLU CA C 1836 55.374 56.211 -0.837 1
1 789 . 17 1 1 A 73 73 GLU CB C 1836 30.731 30.211 0.520 1
1 791 . 17 1 1 A 73 73 GLU N N 1836 123.251 123.115 0.136 1
1 792 . 17 1 1 A 74 74 ASN HA H 1837 4.512 4.440 0.072 1
1 797 . 17 1 1 A 74 74 ASN CA C 1837 54.970 56.011 -1.041 1
1 798 . 17 1 1 A 74 74 ASN CB C 1837 38.732 38.457 0.275 1
1 800 . 17 1 1 A 75 75 LYS H H 1838 8.779 7.988 0.791 1
1 801 . 17 1 1 A 75 75 LYS HA H 1838 4.424 4.598 -0.174 1
1 810 . 17 1 1 A 75 75 LYS CA C 1838 54.735 55.077 -0.342 1
1 811 . 17 1 1 A 75 75 LYS CB C 1838 30.966 32.989 -2.023 1
1 815 . 17 1 1 A 75 75 LYS N N 1838 121.350 115.694 5.656 1
1 816 . 17 1 1 A 76 76 CYS H H 1839 7.590 7.108 0.482 1
1 817 . 17 1 1 A 76 76 CYS HA H 1839 4.361 4.317 0.044 1
1 820 . 17 1 1 A 76 76 CYS CA C 1839 57.256 57.627 -0.371 1
1 821 . 17 1 1 A 76 76 CYS CB C 1839 30.731 28.179 2.552 1
1 822 . 17 1 1 A 76 76 CYS N N 1839 124.209 121.192 3.017 1
1 823 . 17 1 1 A 77 77 PRO HA H 1840 4.651 4.371 0.280 1
1 830 . 17 1 1 A 77 77 PRO CA C 1840 62.669 64.344 -1.675 1
1 831 . 17 1 1 A 77 77 PRO CB C 1840 32.849 31.938 0.911 1
1 834 . 17 1 1 A 78 78 VAL H H 1841 8.962 7.699 1.263 1
1 835 . 17 1 1 A 78 78 VAL HA H 1841 4.199 4.174 0.025 1
1 843 . 17 1 1 A 78 78 VAL CA C 1841 61.257 61.022 0.235 1
1 844 . 17 1 1 A 78 78 VAL CB C 1841 31.672 32.168 -0.496 1
1 847 . 17 1 1 A 78 78 VAL N N 1841 128.606 119.541 9.065 1
1 848 . 17 1 1 A 79 79 PRO HA H 1842 3.936 4.147 -0.211 1
1 855 . 17 1 1 A 79 79 PRO CA C 1842 63.846 65.411 -1.565 1
1 856 . 17 1 1 A 79 79 PRO CB C 1842 30.731 31.501 -0.770 1
1 859 . 17 1 1 A 80 80 PHE HA H 1843 4.255 4.178 0.077 1
1 866 . 17 1 1 A 80 80 PHE CA C 1843 59.374 60.422 -1.048 1
1 867 . 17 1 1 A 80 80 PHE CB C 1843 37.791 37.936 -0.145 1
1 870 . 17 1 1 A 81 81 CYS H H 1844 7.660 8.304 -0.644 1
1 871 . 17 1 1 A 81 81 CYS HA H 1844 3.997 4.211 -0.214 1
1 874 . 17 1 1 A 81 81 CYS CA C 1844 64.552 62.563 1.989 1
1 875 . 17 1 1 A 81 81 CYS CB C 1844 30.495 27.294 3.201 1
1 876 . 17 1 1 A 81 81 CYS N N 1844 124.104 118.410 5.694 1
1 877 . 17 1 1 A 82 82 LEU H H 1845 8.170 8.288 -0.118 1
1 878 . 17 1 1 A 82 82 LEU HA H 1845 3.988 3.969 0.019 1
1 888 . 17 1 1 A 82 82 LEU CA C 1845 57.962 58.155 -0.193 1
1 889 . 17 1 1 A 82 82 LEU CB C 1845 41.321 41.319 0.002 1
1 893 . 17 1 1 A 82 82 LEU N N 1845 115.950 120.884 -4.934 1
1 894 . 17 1 1 A 83 83 ASN H H 1846 7.826 8.346 -0.520 1
1 895 . 17 1 1 A 83 83 ASN HA H 1846 4.447 4.436 0.011 1
1 900 . 17 1 1 A 83 83 ASN CA C 1846 56.800 56.940 -0.140 1
1 901 . 17 1 1 A 83 83 ASN CB C 1846 38.967 39.072 -0.105 1
1 902 . 17 1 1 A 83 83 ASN N N 1846 116.117 118.134 -2.017 1
1 904 . 17 1 1 A 84 84 ILE H H 1847 8.607 8.266 0.341 1
1 905 . 17 1 1 A 84 84 ILE HA H 1847 3.718 3.602 0.116 1
1 915 . 17 1 1 A 84 84 ILE CA C 1847 64.787 65.472 -0.685 1
1 916 . 17 1 1 A 84 84 ILE CB C 1847 38.497 37.893 0.604 1
1 920 . 17 1 1 A 84 84 ILE N N 1847 121.553 119.508 2.045 1
1 921 . 17 1 1 A 85 85 LYS H H 1848 8.855 8.252 0.603 1
1 922 . 17 1 1 A 85 85 LYS HA H 1848 3.859 3.945 -0.086 1
1 931 . 17 1 1 A 85 85 LYS CA C 1848 60.551 59.373 1.178 1
1 932 . 17 1 1 A 85 85 LYS CB C 1848 32.613 32.385 0.228 1
1 936 . 17 1 1 A 85 85 LYS N N 1848 119.992 118.976 1.016 1
1 937 . 17 1 1 A 86 86 HIS H H 1849 8.100 8.098 0.002 1
1 938 . 17 1 1 A 86 86 HIS HA H 1849 4.411 4.267 0.144 1
1 943 . 17 1 1 A 86 86 HIS CA C 1849 58.433 60.110 -1.677 1
1 944 . 17 1 1 A 86 86 HIS CB C 1849 30.495 29.957 0.538 1
1 947 . 17 1 1 A 86 86 HIS N N 1849 117.237 119.661 -2.424 1
1 948 . 17 1 1 A 87 87 LYS H H 1850 7.685 8.461 -0.776 1
1 949 . 17 1 1 A 87 87 LYS HA H 1850 4.128 3.885 0.243 1
1 958 . 17 1 1 A 87 87 LYS CA C 1850 57.727 59.294 -1.567 1
1 959 . 17 1 1 A 87 87 LYS CB C 1850 32.378 32.654 -0.276 1
1 963 . 17 1 1 A 87 87 LYS N N 1850 119.118 117.733 1.385 1
1 964 . 17 1 1 A 88 88 LEU H H 1851 8.230 8.530 -0.300 1
1 965 . 17 1 1 A 88 88 LEU HA H 1851 4.174 3.958 0.216 1
1 975 . 17 1 1 A 88 88 LEU CA C 1851 56.800 57.980 -1.180 1
1 976 . 17 1 1 A 88 88 LEU CB C 1851 42.262 41.683 0.579 1
1 980 . 17 1 1 A 88 88 LEU N N 1851 119.305 120.128 -0.823 1
1 981 . 17 1 1 A 89 89 ARG H H 1852 7.765 7.895 -0.130 1
1 982 . 17 1 1 A 89 89 ARG HA H 1852 4.245 4.043 0.202 1
1 989 . 17 1 1 A 89 89 ARG CA C 1852 56.550 58.872 -2.322 1
1 990 . 17 1 1 A 89 89 ARG CB C 1852 30.260 29.685 0.575 1
1 993 . 17 1 1 A 89 89 ARG N N 1852 118.302 118.879 -0.577 1
1 994 . 17 1 1 A 90 90 GLN H H 1853 7.851 7.977 -0.126 1
1 995 . 17 1 1 A 90 90 GLN HA H 1853 4.262 3.987 0.275 1
1 1002 . 17 1 1 A 90 90 GLN CA C 1853 55.609 58.491 -2.882 1
1 1003 . 17 1 1 A 90 90 GLN CB C 1853 29.554 28.618 0.936 1
1 1005 . 17 1 1 A 90 90 GLN N N 1853 119.450 119.221 0.229 1
1 1007 . 17 1 1 A 91 91 GLN H H 1854 8.710 7.758 0.952 1
1 1008 . 17 1 1 A 91 91 GLN HA H 1854 4.317 4.118 0.199 1
1 1015 . 17 1 1 A 91 91 GLN CA C 1854 55.609 58.216 -2.607 1
1 1016 . 17 1 1 A 91 91 GLN CB C 1854 29.554 28.716 0.838 1
1 1018 . 17 1 1 A 91 91 GLN N N 1854 120.675 117.273 3.402 1
1 1038 . 17 2 2 B 2 2 HIS HA H 51 4.636 4.421 0.215 1
1 1043 . 17 2 2 B 2 2 HIS CA C 51 55.844 58.060 -2.216 1
1 1044 . 17 2 2 B 2 2 HIS CB C 51 30.495 29.765 0.730 1
1 1047 . 17 2 2 B 3 3 MET H H 52 8.230 7.695 0.535 1
1 1048 . 17 2 2 B 3 3 MET HA H 52 4.430 4.851 -0.421 1
1 1053 . 17 2 2 B 3 3 MET CA C 52 54.903 53.949 0.954 1
1 1054 . 17 2 2 B 3 3 MET CB C 52 33.840 35.197 -1.357 1
1 1056 . 17 2 2 B 3 3 MET N N 52 121.881 114.151 7.730 1
1 1057 . 17 2 2 B 4 4 ALA H H 53 8.269 8.629 -0.360 1
1 1058 . 17 2 2 B 4 4 ALA HA H 53 4.586 4.534 0.052 1
1 1062 . 17 2 2 B 4 4 ALA CA C 53 51.255 51.089 0.166 1
1 1063 . 17 2 2 B 4 4 ALA CB C 53 18.796 18.134 0.662 1
1 1064 . 17 2 2 B 4 4 ALA N N 53 126.758 122.913 3.845 1
1 1065 . 17 2 2 B 5 5 PRO HA H 54 4.705 4.582 0.123 1
1 1072 . 17 2 2 B 5 5 PRO CA C 54 61.257 62.216 -0.959 1
1 1073 . 17 2 2 B 5 5 PRO CB C 54 30.966 32.971 -2.005 1
1 1076 . 17 2 2 B 6 6 GLU H H 55 8.468 8.531 -0.063 1
1 1077 . 17 2 2 B 6 6 GLU HA H 55 4.150 5.147 -0.997 1
1 1082 . 17 2 2 B 6 6 GLU CA C 55 56.550 54.347 2.203 1
1 1083 . 17 2 2 B 6 6 GLU CB C 55 30.495 33.803 -3.308 1
1 1085 . 17 2 2 B 6 6 GLU N N 55 121.693 117.707 3.986 1
1 1086 . 17 2 2 B 7 7 ASP H H 56 8.574 8.631 -0.057 1
1 1087 . 17 2 2 B 7 7 ASP HA H 56 5.200 5.024 0.176 1
1 1090 . 17 2 2 B 7 7 ASP CA C 56 51.255 50.646 0.609 1
1 1091 . 17 2 2 B 7 7 ASP CB C 56 42.262 44.160 -1.898 1
1 1092 . 17 2 2 B 7 7 ASP N N 56 120.873 120.503 0.370 1
1 1093 . 17 2 2 B 8 8 PRO HA H 57 4.465 4.393 0.072 1
1 1100 . 17 2 2 B 8 8 PRO CA C 57 63.610 64.317 -0.707 1
1 1101 . 17 2 2 B 8 8 PRO CB C 57 32.378 31.836 0.542 1
1 1104 . 17 2 2 B 9 9 ASN H H 58 8.301 8.549 -0.248 1
1 1105 . 17 2 2 B 9 9 ASN HA H 58 4.809 4.649 0.160 1
1 1110 . 17 2 2 B 9 9 ASN CA C 58 53.558 54.035 -0.477 1
1 1111 . 17 2 2 B 9 9 ASN CB C 58 38.497 39.055 -0.558 1
1 1112 . 17 2 2 B 9 9 ASN N N 58 117.190 116.259 0.931 1
1 1114 . 17 2 2 B 10 10 GLU H H 59 7.366 8.096 -0.730 1
1 1115 . 17 2 2 B 10 10 GLU HA H 59 3.641 3.998 -0.357 1
1 1120 . 17 2 2 B 10 10 GLU CA C 59 60.800 59.325 1.475 1
1 1121 . 17 2 2 B 10 10 GLU CB C 59 29.554 29.109 0.445 1
1 1123 . 17 2 2 B 10 10 GLU N N 59 122.354 118.761 3.593 1
1 1124 . 17 2 2 B 11 11 GLU H H 60 8.618 8.436 0.182 1
1 1125 . 17 2 2 B 11 11 GLU HA H 60 3.933 3.979 -0.046 1
1 1130 . 17 2 2 B 11 11 GLU CA C 60 59.139 59.177 -0.038 1
1 1131 . 17 2 2 B 11 11 GLU CB C 60 29.830 29.548 0.282 1
1 1133 . 17 2 2 B 11 11 GLU N N 60 120.391 119.697 0.694 1
1 1134 . 17 2 2 B 12 12 ALA H H 61 8.280 7.582 0.698 1
1 1135 . 17 2 2 B 12 12 ALA HA H 61 4.180 4.014 0.166 1
1 1139 . 17 2 2 B 12 12 ALA CA C 61 55.205 54.395 0.810 1
1 1140 . 17 2 2 B 12 12 ALA CB C 61 20.695 18.104 2.591 1
1 1141 . 17 2 2 B 12 12 ALA N N 61 122.378 121.867 0.511 1
1 1142 . 17 2 2 B 13 13 VAL H H 62 7.773 7.370 0.403 1
1 1143 . 17 2 2 B 13 13 VAL HA H 62 3.974 3.383 0.591 1
1 1151 . 17 2 2 B 13 13 VAL CA C 62 66.199 66.009 0.190 1
1 1152 . 17 2 2 B 13 13 VAL CB C 62 31.907 31.534 0.373 1
1 1155 . 17 2 2 B 13 13 VAL N N 62 116.653 118.468 -1.815 1
1 1156 . 17 2 2 B 14 14 SER H H 63 8.288 7.949 0.339 1
1 1157 . 17 2 2 B 14 14 SER HA H 63 4.620 3.968 0.652 1
1 1160 . 17 2 2 B 14 14 SER CA C 63 60.786 62.256 -1.470 1
1 1161 . 17 2 2 B 14 14 SER CB C 63 62.434 63.263 -0.829 1
1 1162 . 17 2 2 B 14 14 SER N N 63 115.328 115.663 -0.335 1
1 1163 . 17 2 2 B 15 15 GLN H H 64 7.775 8.382 -0.607 1
1 1164 . 17 2 2 B 15 15 GLN HA H 64 4.190 4.046 0.144 1
1 1171 . 17 2 2 B 15 15 GLN CA C 64 57.492 58.356 -0.864 1
1 1172 . 17 2 2 B 15 15 GLN CB C 64 28.613 27.291 1.322 1
1 1174 . 17 2 2 B 15 15 GLN N N 64 119.350 118.571 0.779 1
1 1176 . 17 2 2 B 16 16 ILE H H 65 7.217 7.481 -0.264 1
1 1177 . 17 2 2 B 16 16 ILE HA H 65 3.788 3.924 -0.136 1
1 1186 . 17 2 2 B 16 16 ILE CA C 65 61.492 63.317 -1.825 1
1 1187 . 17 2 2 B 16 16 ILE CB C 65 37.320 38.955 -1.635 1
1 1191 . 17 2 2 B 16 16 ILE N N 65 117.427 119.224 -1.797 1
1 1192 . 17 2 2 B 17 17 PHE H H 66 8.370 7.547 0.823 1
1 1193 . 17 2 2 B 17 17 PHE HA H 66 4.407 4.941 -0.534 1
1 1200 . 17 2 2 B 17 17 PHE CA C 66 55.374 54.771 0.603 1
1 1201 . 17 2 2 B 17 17 PHE CB C 66 42.270 39.658 2.612 1
1 1205 . 17 2 2 B 17 17 PHE N N 66 117.389 115.452 1.937 1
1 1206 . 17 2 2 B 18 18 PRO HA H 67 4.784 4.757 0.027 1
1 1213 . 17 2 2 B 18 18 PRO CA C 67 62.669 62.369 0.300 1
1 1214 . 17 2 2 B 18 18 PRO CB C 67 32.378 33.357 -0.979 1
1 1217 . 17 2 2 B 19 19 ASP H H 68 9.127 8.757 0.370 1
1 1218 . 17 2 2 B 19 19 ASP HA H 68 4.261 4.362 -0.101 1
1 1221 . 17 2 2 B 19 19 ASP CA C 68 57.927 56.258 1.669 1
1 1222 . 17 2 2 B 19 19 ASP CB C 68 40.451 40.009 0.442 1
1 1223 . 17 2 2 B 19 19 ASP N N 68 123.618 121.721 1.897 1
1 1224 . 17 2 2 B 20 20 SER H H 69 8.624 7.961 0.663 1
1 1225 . 17 2 2 B 20 20 SER HA H 69 4.816 4.450 0.366 1
1 1226 . 17 2 2 B 20 20 SER N N 69 112.914 114.055 -1.141 1
1 1227 . 17 2 2 B 21 21 VAL H H 70 7.380 7.659 -0.279 1
1 1228 . 17 2 2 B 21 21 VAL HA H 70 3.958 4.745 -0.787 1
1 1236 . 17 2 2 B 21 21 VAL CA C 70 64.316 58.856 5.460 1
1 1237 . 17 2 2 B 21 21 VAL CB C 70 32.378 35.794 -3.416 1
1 1240 . 17 2 2 B 21 21 VAL N N 70 123.280 115.575 7.705 1
1 1241 . 17 2 2 B 22 22 MET H H 71 7.638 8.801 -1.163 1
1 1242 . 17 2 2 B 22 22 MET HA H 71 4.266 4.599 -0.333 1
1 1248 . 17 2 2 B 22 22 MET CA C 71 55.844 54.552 1.292 1
1 1249 . 17 2 2 B 22 22 MET CB C 71 31.907 30.636 1.271 1
1 1251 . 17 2 2 B 22 22 MET N N 71 117.825 122.345 -4.520 1
1 1252 . 17 2 2 B 23 23 LEU H H 72 8.102 7.764 0.338 1
1 1253 . 17 2 2 B 23 23 LEU HA H 72 4.132 4.057 0.075 1
1 1263 . 17 2 2 B 23 23 LEU CA C 72 56.786 58.060 -1.274 1
1 1264 . 17 2 2 B 23 23 LEU CB C 72 42.270 41.868 0.402 1
1 1268 . 17 2 2 B 23 23 LEU N N 72 119.633 123.200 -3.567 1
1 1269 . 17 2 2 B 24 24 ALA H H 73 7.464 8.282 -0.818 1
1 1270 . 17 2 2 B 24 24 ALA HA H 73 4.197 4.234 -0.037 1
1 1274 . 17 2 2 B 24 24 ALA CA C 73 84.840 54.090 30.750 1
1 1275 . 17 2 2 B 24 24 ALA CB C 73 19.266 18.563 0.703 1
1 1276 . 17 2 2 B 24 24 ALA N N 73 120.682 120.958 -0.276 1
1 1277 . 17 2 2 B 25 25 VAL H H 74 7.668 7.835 -0.167 1
1 1278 . 17 2 2 B 25 25 VAL HA H 74 4.258 3.853 0.405 1
1 1286 . 17 2 2 B 25 25 VAL CA C 74 62.434 64.237 -1.803 1
1 1287 . 17 2 2 B 25 25 VAL CB C 74 31.672 31.623 0.049 1
1 1290 . 17 2 2 B 25 25 VAL N N 74 112.530 117.435 -4.905 1
1 1291 . 17 2 2 B 26 26 GLN H H 75 7.806 8.123 -0.317 1
1 1292 . 17 2 2 B 26 26 GLN HA H 75 4.308 4.601 -0.293 1
1 1299 . 17 2 2 B 26 26 GLN CA C 75 56.786 55.997 0.789 1
1 1300 . 17 2 2 B 26 26 GLN CB C 75 29.554 30.991 -1.437 1
1 1302 . 17 2 2 B 26 26 GLN N N 75 121.794 116.031 5.763 1
1 1304 . 17 2 2 B 27 27 GLU H H 76 8.340 7.794 0.546 1
1 1305 . 17 2 2 B 27 27 GLU HA H 76 4.349 4.446 -0.097 1
1 1310 . 17 2 2 B 27 27 GLU CA C 76 56.315 55.502 0.813 1
1 1311 . 17 2 2 B 27 27 GLU CB C 76 30.495 30.679 -0.184 1
1 1313 . 17 2 2 B 27 27 GLU N N 76 120.410 120.449 -0.039 1
1 1314 . 17 2 2 B 28 28 GLY H H 77 8.295 8.609 -0.314 1
1 1315 . 17 2 2 B 28 28 GLY HA2 H 77 3.938 4.229 -0.291 1
1 1316 . 17 2 2 B 28 28 GLY HA3 H 77 4.190 4.232 -0.042 1
1 1317 . 17 2 2 B 28 28 GLY CA C 77 45.792 44.800 0.992 1
1 1318 . 17 2 2 B 28 28 GLY N N 77 109.255 106.754 2.501 1
1 1319 . 17 2 2 B 29 29 ILE H H 78 7.889 8.753 -0.864 1
1 1320 . 17 2 2 B 29 29 ILE HA H 78 4.166 3.927 0.239 1
1 1330 . 17 2 2 B 29 29 ILE CA C 78 60.786 61.942 -1.156 1
1 1331 . 17 2 2 B 29 29 ILE CB C 78 39.203 38.252 0.951 1
1 1335 . 17 2 2 B 29 29 ILE N N 78 119.126 127.768 -8.642 1
1 1336 . 17 2 2 B 30 30 ASP H H 79 8.442 9.021 -0.579 1
1 1337 . 17 2 2 B 30 30 ASP HA H 79 4.577 4.555 0.022 1
1 1340 . 17 2 2 B 30 30 ASP CA C 79 55.255 54.252 1.003 1
1 1341 . 17 2 2 B 30 30 ASP CB C 79 41.850 40.080 1.770 1
1 1342 . 17 2 2 B 30 30 ASP N N 79 123.665 127.468 -3.803 1
1 1343 . 17 2 2 B 31 31 LEU H H 80 8.141 7.751 0.390 1
1 1344 . 17 2 2 B 31 31 LEU HA H 80 4.292 3.968 0.324 1
1 1354 . 17 2 2 B 31 31 LEU CA C 80 55.205 57.505 -2.300 1
1 1355 . 17 2 2 B 31 31 LEU CB C 80 42.262 41.999 0.263 1
1 1359 . 17 2 2 B 31 31 LEU N N 80 122.359 121.549 0.810 1
1 1360 . 17 2 2 B 32 32 LEU H H 81 8.840 7.983 0.857 1
1 1361 . 17 2 2 B 32 32 LEU HA H 81 4.256 4.199 0.057 1
1 1371 . 17 2 2 B 32 32 LEU CA C 81 54.903 57.637 -2.734 1
1 1372 . 17 2 2 B 32 32 LEU CB C 81 42.497 41.496 1.001 1
1 1376 . 17 2 2 B 32 32 LEU N N 81 120.762 118.230 2.532 1
1 1377 . 17 2 2 B 33 33 THR H H 82 7.728 8.123 -0.395 1
1 1378 . 17 2 2 B 33 33 THR HA H 82 4.226 4.142 0.084 1
1 1383 . 17 2 2 B 33 33 THR CA C 82 61.220 64.158 -2.938 1
1 1384 . 17 2 2 B 33 33 THR CB C 82 69.494 68.816 0.678 1
1 1386 . 17 2 2 B 33 33 THR N N 82 113.606 113.803 -0.197 1
1 1387 . 17 2 2 B 34 34 PHE H H 83 8.181 7.761 0.420 1
1 1388 . 17 2 2 B 34 34 PHE HA H 83 4.825 4.628 0.197 1
1 1395 . 17 2 2 B 34 34 PHE CA C 83 55.138 55.979 -0.841 1
1 1396 . 17 2 2 B 34 34 PHE CB C 83 39.203 38.787 0.416 1
1 1399 . 17 2 2 B 34 34 PHE N N 83 123.600 118.326 5.274 1
1 1400 . 17 2 2 B 35 35 PRO HA H 84 4.765 4.424 0.341 1
1 1407 . 17 2 2 B 35 35 PRO CA C 84 62.900 61.850 1.050 1
1 1408 . 17 2 2 B 35 35 PRO CB C 84 32.538 32.246 0.292 1
1 1411 . 17 2 2 B 36 36 PRO HA H 85 4.422 4.051 0.371 1
1 1418 . 17 2 2 B 36 36 PRO CA C 85 62.434 64.309 -1.875 1
1 1419 . 17 2 2 B 36 36 PRO CB C 85 32.143 32.027 0.116 1
1 1422 . 17 2 2 B 37 37 ALA H H 86 8.370 7.038 1.332 1
1 1423 . 17 2 2 B 37 37 ALA HA H 86 4.429 4.647 -0.218 1
1 1427 . 17 2 2 B 37 37 ALA CA C 86 50.263 49.728 0.535 1
1 1428 . 17 2 2 B 37 37 ALA CB C 86 19.972 21.616 -1.644 1
1 1429 . 17 2 2 B 37 37 ALA N N 86 125.277 116.269 9.008 1
1 1430 . 17 2 2 B 38 38 PRO HA H 87 4.388 4.355 0.033 1
1 1437 . 17 2 2 B 38 38 PRO CA C 87 63.140 64.086 -0.946 1
1 1438 . 17 2 2 B 38 38 PRO CB C 87 32.143 31.855 0.288 1
1 1441 . 17 2 2 B 39 39 GLY H H 88 8.503 8.518 -0.015 1
1 1442 . 17 2 2 B 39 39 GLY HA2 H 88 3.895 3.947 -0.052 1
1 1443 . 17 2 2 B 39 39 GLY HA3 H 88 3.981 3.947 0.034 1
1 1444 . 17 2 2 B 39 39 GLY CA C 88 74.671 44.953 29.718 1
1 1445 . 17 2 2 B 39 39 GLY N N 88 109.831 107.021 2.810 1
1 1446 . 17 2 2 B 40 40 SER H H 89 8.800 7.376 1.424 1
1 1447 . 17 2 2 B 40 40 SER HA H 89 4.748 4.615 0.133 1
1 1450 . 17 2 2 B 40 40 SER CA C 89 56.800 55.903 0.897 1
1 1451 . 17 2 2 B 40 40 SER CB C 89 63.140 64.279 -1.139 1
1 1452 . 17 2 2 B 40 40 SER N N 89 116.937 116.841 0.096 1
1 1453 . 17 2 2 B 41 41 PRO HA H 90 4.441 4.403 0.038 1
1 1460 . 17 2 2 B 41 41 PRO CA C 90 63.140 63.862 -0.722 1
1 1461 . 17 2 2 B 41 41 PRO CB C 90 32.143 31.871 0.272 1
1 6 . 18 1 1 A 2 2 PRO HA H 1765 4.433 4.382 0.051 1
1 13 . 18 1 1 A 2 2 PRO CA C 1765 64.810 64.588 0.222 1
1 14 . 18 1 1 A 2 2 PRO CB C 1765 31.907 32.110 -0.203 1
1 17 . 18 1 1 A 3 3 GLN H H 1766 8.442 8.234 0.208 1
1 18 . 18 1 1 A 3 3 GLN HA H 1766 3.889 4.059 -0.170 1
1 25 . 18 1 1 A 3 3 GLN CA C 1766 59.103 59.171 -0.068 1
1 26 . 18 1 1 A 3 3 GLN CB C 1766 28.595 28.238 0.357 1
1 28 . 18 1 1 A 3 3 GLN N N 1766 115.685 117.098 -1.413 1
1 30 . 18 1 1 A 4 4 GLU H H 1767 8.161 7.950 0.211 1
1 31 . 18 1 1 A 4 4 GLU HA H 1767 4.197 4.064 0.133 1
1 36 . 18 1 1 A 4 4 GLU CA C 1767 57.727 59.602 -1.875 1
1 37 . 18 1 1 A 4 4 GLU CB C 1767 30.250 29.368 0.882 1
1 39 . 18 1 1 A 4 4 GLU N N 1767 121.941 120.664 1.277 1
1 40 . 18 1 1 A 5 5 SER H H 1768 8.291 7.787 0.504 1
1 41 . 18 1 1 A 5 5 SER HA H 1768 4.280 4.132 0.148 1
1 44 . 18 1 1 A 5 5 SER CA C 1768 60.800 61.654 -0.854 1
1 45 . 18 1 1 A 5 5 SER CB C 1768 63.435 62.816 0.619 1
1 46 . 18 1 1 A 5 5 SER N N 1768 116.360 117.253 -0.893 1
1 47 . 18 1 1 A 6 6 ARG H H 1769 7.935 8.178 -0.243 1
1 48 . 18 1 1 A 6 6 ARG HA H 1769 4.120 4.077 0.043 1
1 52 . 18 1 1 A 6 6 ARG N N 1769 122.139 121.908 0.231 1
1 53 . 18 1 1 A 7 7 ARG H H 1770 7.952 7.831 0.121 1
1 54 . 18 1 1 A 7 7 ARG HA H 1770 3.939 4.067 -0.128 1
1 61 . 18 1 1 A 7 7 ARG N N 1770 119.527 119.992 -0.465 1
1 62 . 18 1 1 A 8 8 LEU H H 1771 8.120 8.149 -0.029 1
1 63 . 18 1 1 A 8 8 LEU HA H 1771 4.188 4.029 0.159 1
1 73 . 18 1 1 A 8 8 LEU CA C 1771 56.786 57.660 -0.874 1
1 74 . 18 1 1 A 8 8 LEU CB C 1771 41.556 41.896 -0.340 1
1 78 . 18 1 1 A 8 8 LEU N N 1771 120.237 121.089 -0.852 1
1 79 . 18 1 1 A 9 9 SER H H 1772 8.860 8.030 0.830 1
1 80 . 18 1 1 A 9 9 SER HA H 1772 4.224 4.010 0.214 1
1 83 . 18 1 1 A 9 9 SER CA C 1772 61.728 62.292 -0.564 1
1 84 . 18 1 1 A 9 9 SER CB C 1772 62.198 62.931 -0.733 1
1 85 . 18 1 1 A 9 9 SER N N 1772 116.214 113.496 2.718 1
1 86 . 18 1 1 A 10 10 ILE H H 1773 8.133 8.178 -0.045 1
1 87 . 18 1 1 A 10 10 ILE HA H 1773 3.510 3.754 -0.244 1
1 97 . 18 1 1 A 10 10 ILE CA C 1773 64.787 64.145 0.642 1
1 98 . 18 1 1 A 10 10 ILE CB C 1773 38.732 37.257 1.475 1
1 102 . 18 1 1 A 10 10 ILE N N 1773 122.927 120.847 2.080 1
1 103 . 18 1 1 A 11 11 GLN H H 1774 8.250 8.187 0.063 1
1 104 . 18 1 1 A 11 11 GLN HA H 1774 3.980 4.063 -0.083 1
1 111 . 18 1 1 A 11 11 GLN CA C 1774 58.900 58.657 0.243 1
1 113 . 18 1 1 A 11 11 GLN N N 1774 118.893 119.812 -0.919 1
1 115 . 18 1 1 A 12 12 ARG H H 1775 8.272 8.061 0.211 1
1 116 . 18 1 1 A 12 12 ARG HA H 1775 4.168 4.060 0.108 1
1 123 . 18 1 1 A 12 12 ARG CA C 1775 57.730 59.319 -1.589 1
1 126 . 18 1 1 A 12 12 ARG N N 1775 119.560 119.212 0.348 1
1 127 . 18 1 1 A 13 13 CYS HA H 1776 4.176 4.149 0.027 1
1 130 . 18 1 1 A 13 13 CYS CA C 1776 63.610 62.207 1.403 1
1 131 . 18 1 1 A 13 13 CYS CB C 1776 26.965 27.468 -0.503 1
1 132 . 18 1 1 A 14 14 ILE H H 1777 8.597 8.011 0.586 1
1 133 . 18 1 1 A 14 14 ILE HA H 1777 3.735 3.721 0.014 1
1 143 . 18 1 1 A 14 14 ILE CA C 1777 65.220 64.999 0.221 1
1 144 . 18 1 1 A 14 14 ILE CB C 1777 37.320 37.143 0.177 1
1 148 . 18 1 1 A 14 14 ILE N N 1777 120.174 120.664 -0.490 1
1 149 . 18 1 1 A 15 15 GLN H H 1778 8.105 8.055 0.050 1
1 150 . 18 1 1 A 15 15 GLN HA H 1778 4.700 4.021 0.679 1
1 157 . 18 1 1 A 15 15 GLN CA C 1778 59.139 59.042 0.097 1
1 158 . 18 1 1 A 15 15 GLN CB C 1778 28.377 28.852 -0.475 1
1 160 . 18 1 1 A 15 15 GLN N N 1778 119.677 120.266 -0.589 1
1 162 . 18 1 1 A 16 16 SER H H 1779 8.115 7.622 0.493 1
1 163 . 18 1 1 A 16 16 SER HA H 1779 4.407 4.136 0.271 1
1 166 . 18 1 1 A 16 16 SER CA C 1779 61.963 62.606 -0.643 1
1 167 . 18 1 1 A 16 16 SER CB C 1779 63.425 62.907 0.518 1
1 168 . 18 1 1 A 16 16 SER N N 1779 116.542 116.384 0.158 1
1 169 . 18 1 1 A 17 17 LEU H H 1780 8.496 8.016 0.480 1
1 170 . 18 1 1 A 17 17 LEU HA H 1780 3.970 4.063 -0.093 1
1 180 . 18 1 1 A 17 17 LEU CA C 1780 58.286 58.312 -0.026 1
1 181 . 18 1 1 A 17 17 LEU CB C 1780 42.262 41.907 0.355 1
1 185 . 18 1 1 A 17 17 LEU N N 1780 124.870 123.190 1.680 1
1 186 . 18 1 1 A 18 18 VAL H H 1781 8.540 8.150 0.390 1
1 187 . 18 1 1 A 18 18 VAL HA H 1781 3.246 3.512 -0.266 1
1 195 . 18 1 1 A 18 18 VAL CA C 1781 66.905 66.825 0.080 1
1 196 . 18 1 1 A 18 18 VAL CB C 1781 31.672 31.654 0.018 1
1 199 . 18 1 1 A 18 18 VAL N N 1781 119.345 119.087 0.258 1
1 200 . 18 1 1 A 19 19 HIS H H 1782 7.944 8.335 -0.391 1
1 201 . 18 1 1 A 19 19 HIS HA H 1782 4.191 4.092 0.099 1
1 206 . 18 1 1 A 19 19 HIS CA C 1782 59.845 60.225 -0.380 1
1 207 . 18 1 1 A 19 19 HIS CB C 1782 26.965 29.736 -2.771 1
1 210 . 18 1 1 A 19 19 HIS N N 1782 116.521 118.969 -2.448 1
1 211 . 18 1 1 A 20 20 ALA H H 1783 9.830 8.534 1.296 1
1 212 . 18 1 1 A 20 20 ALA HA H 1783 4.367 4.037 0.330 1
1 216 . 18 1 1 A 20 20 ALA CA C 1783 55.191 55.075 0.116 1
1 217 . 18 1 1 A 20 20 ALA CB C 1783 20.695 18.339 2.356 1
1 218 . 18 1 1 A 20 20 ALA N N 1783 121.753 120.391 1.362 1
1 219 . 18 1 1 A 21 21 CYS H H 1784 7.913 7.548 0.365 1
1 220 . 18 1 1 A 21 21 CYS HA H 1784 4.236 4.302 -0.066 1
1 223 . 18 1 1 A 21 21 CYS CA C 1784 61.963 60.568 1.395 1
1 224 . 18 1 1 A 21 21 CYS CB C 1784 26.965 26.768 0.197 1
1 225 . 18 1 1 A 21 21 CYS N N 1784 112.237 115.564 -3.327 1
1 226 . 18 1 1 A 22 22 GLN H H 1785 7.320 8.077 -0.757 1
1 227 . 18 1 1 A 22 22 GLN HA H 1785 4.475 4.432 0.043 1
1 234 . 18 1 1 A 22 22 GLN CA C 1785 54.970 55.487 -0.517 1
1 235 . 18 1 1 A 22 22 GLN CB C 1785 30.731 30.100 0.631 1
1 237 . 18 1 1 A 22 22 GLN N N 1785 115.939 115.534 0.405 1
1 239 . 18 1 1 A 23 23 CYS H H 1786 7.268 7.503 -0.235 1
1 240 . 18 1 1 A 23 23 CYS HA H 1786 3.898 4.157 -0.259 1
1 243 . 18 1 1 A 23 23 CYS CA C 1786 60.800 59.808 0.992 1
1 244 . 18 1 1 A 23 23 CYS CB C 1786 28.848 28.494 0.354 1
1 245 . 18 1 1 A 23 23 CYS N N 1786 124.452 119.654 4.798 1
1 246 . 18 1 1 A 24 24 ARG H H 1787 8.854 8.902 -0.048 1
1 247 . 18 1 1 A 24 24 ARG HA H 1787 4.539 4.217 0.322 1
1 254 . 18 1 1 A 24 24 ARG CA C 1787 54.735 58.047 -3.312 1
1 255 . 18 1 1 A 24 24 ARG CB C 1787 30.250 30.602 -0.352 1
1 258 . 18 1 1 A 24 24 ARG N N 1787 130.523 128.061 2.462 1
1 259 . 18 1 1 A 25 25 ASN H H 1788 7.553 7.774 -0.221 1
1 260 . 18 1 1 A 25 25 ASN HA H 1788 4.799 5.040 -0.241 1
1 265 . 18 1 1 A 25 25 ASN CA C 1788 51.911 51.864 0.047 1
1 266 . 18 1 1 A 25 25 ASN CB C 1788 39.203 40.194 -0.991 1
1 267 . 18 1 1 A 25 25 ASN N N 1788 119.613 118.159 1.454 1
1 269 . 18 1 1 A 26 26 ALA H H 1789 9.185 9.102 0.083 1
1 270 . 18 1 1 A 26 26 ALA HA H 1789 4.740 4.046 0.694 1
1 274 . 18 1 1 A 26 26 ALA CA C 1789 54.264 54.765 -0.501 1
1 275 . 18 1 1 A 26 26 ALA CB C 1789 18.796 18.475 0.321 1
1 276 . 18 1 1 A 26 26 ALA N N 1789 130.841 128.919 1.922 1
1 277 . 18 1 1 A 27 27 ASN H H 1790 8.520 7.784 0.736 1
1 278 . 18 1 1 A 27 27 ASN HA H 1790 4.761 4.883 -0.122 1
1 283 . 18 1 1 A 27 27 ASN CA C 1790 51.911 53.683 -1.772 1
1 284 . 18 1 1 A 27 27 ASN CB C 1790 38.967 39.071 -0.104 1
1 285 . 18 1 1 A 27 27 ASN N N 1790 113.345 113.758 -0.413 1
1 287 . 18 1 1 A 28 28 CYS H H 1791 7.224 7.192 0.032 1
1 288 . 18 1 1 A 28 28 CYS HA H 1791 4.950 4.315 0.635 1
1 291 . 18 1 1 A 28 28 CYS CA C 1791 61.257 60.127 1.130 1
1 292 . 18 1 1 A 28 28 CYS CB C 1791 30.495 28.962 1.533 1
1 293 . 18 1 1 A 28 28 CYS N N 1791 123.463 120.536 2.927 1
1 294 . 18 1 1 A 29 29 SER H H 1792 8.811 8.782 0.029 1
1 295 . 18 1 1 A 29 29 SER HA H 1792 4.449 4.377 0.072 1
1 298 . 18 1 1 A 29 29 SER CA C 1792 57.492 60.379 -2.887 1
1 299 . 18 1 1 A 29 29 SER CB C 1792 63.835 63.100 0.735 1
1 300 . 18 1 1 A 29 29 SER N N 1792 125.781 122.005 3.776 1
1 301 . 18 1 1 A 30 30 LEU H H 1793 7.851 7.310 0.541 1
1 302 . 18 1 1 A 30 30 LEU HA H 1793 4.507 4.464 0.043 1
1 312 . 18 1 1 A 30 30 LEU CA C 1793 53.558 52.770 0.788 1
1 313 . 18 1 1 A 30 30 LEU CB C 1793 42.270 43.024 -0.754 1
1 317 . 18 1 1 A 30 30 LEU N N 1793 125.656 123.636 2.020 1
1 318 . 18 1 1 A 31 31 PRO HA H 1794 4.363 4.269 0.094 1
1 325 . 18 1 1 A 31 31 PRO CA C 1794 64.787 65.159 -0.372 1
1 326 . 18 1 1 A 31 31 PRO CB C 1794 32.708 31.758 0.950 1
1 329 . 18 1 1 A 32 32 SER H H 1795 8.625 8.062 0.563 1
1 330 . 18 1 1 A 32 32 SER HA H 1795 4.309 4.215 0.094 1
1 332 . 18 1 1 A 32 32 SER CA C 1795 60.124 60.848 -0.724 1
1 333 . 18 1 1 A 32 32 SER CB C 1795 62.982 62.500 0.482 1
1 334 . 18 1 1 A 32 32 SER N N 1795 112.707 111.830 0.877 1
1 335 . 18 1 1 A 33 33 CYS H H 1796 6.679 7.897 -1.218 1
1 336 . 18 1 1 A 33 33 CYS HA H 1796 4.108 4.020 0.088 1
1 339 . 18 1 1 A 33 33 CYS CA C 1796 62.669 62.697 -0.028 1
1 340 . 18 1 1 A 33 33 CYS CB C 1796 30.495 26.552 3.943 1
1 341 . 18 1 1 A 33 33 CYS N N 1796 126.200 120.682 5.518 1
1 342 . 18 1 1 A 34 34 GLN H H 1797 7.870 7.892 -0.022 1
1 343 . 18 1 1 A 34 34 GLN HA H 1797 3.867 3.924 -0.057 1
1 350 . 18 1 1 A 34 34 GLN CA C 1797 59.140 59.182 -0.042 1
1 351 . 18 1 1 A 34 34 GLN CB C 1797 31.360 28.131 3.229 1
1 353 . 18 1 1 A 34 34 GLN N N 1797 115.529 119.482 -3.953 1
1 355 . 18 1 1 A 35 35 LYS H H 1798 8.340 7.603 0.737 1
1 356 . 18 1 1 A 35 35 LYS HA H 1798 4.240 4.069 0.171 1
1 365 . 18 1 1 A 35 35 LYS CA C 1798 58.904 59.347 -0.443 1
1 366 . 18 1 1 A 35 35 LYS CB C 1798 32.686 32.441 0.245 1
1 370 . 18 1 1 A 35 35 LYS N N 1798 117.144 119.598 -2.454 1
1 371 . 18 1 1 A 36 36 MET H H 1799 8.163 8.285 -0.122 1
1 372 . 18 1 1 A 36 36 MET HA H 1799 4.369 4.199 0.170 1
1 380 . 18 1 1 A 36 36 MET CA C 1799 56.474 58.241 -1.767 1
1 381 . 18 1 1 A 36 36 MET CB C 1799 31.110 32.097 -0.987 1
1 384 . 18 1 1 A 36 36 MET N N 1799 117.485 118.877 -1.392 1
1 385 . 18 1 1 A 37 37 LYS H H 1800 9.337 8.208 1.129 1
1 386 . 18 1 1 A 37 37 LYS HA H 1800 3.840 3.997 -0.157 1
1 395 . 18 1 1 A 37 37 LYS CA C 1800 61.200 59.866 1.334 1
1 396 . 18 1 1 A 37 37 LYS CB C 1800 32.691 32.297 0.394 1
1 400 . 18 1 1 A 37 37 LYS N N 1800 120.830 118.464 2.366 1
1 401 . 18 1 1 A 38 38 ARG H H 1801 7.399 7.495 -0.096 1
1 402 . 18 1 1 A 38 38 ARG HA H 1801 4.490 4.090 0.400 1
1 409 . 18 1 1 A 38 38 ARG CA C 1801 59.263 59.252 0.011 1
1 410 . 18 1 1 A 38 38 ARG CB C 1801 31.179 29.971 1.208 1
1 413 . 18 1 1 A 38 38 ARG N N 1801 118.965 119.298 -0.333 1
1 414 . 18 1 1 A 39 39 VAL H H 1802 8.420 7.401 1.019 1
1 415 . 18 1 1 A 39 39 VAL HA H 1802 3.239 3.672 -0.433 1
1 423 . 18 1 1 A 39 39 VAL CA C 1802 67.140 66.456 0.684 1
1 424 . 18 1 1 A 39 39 VAL CB C 1802 31.685 31.670 0.015 1
1 427 . 18 1 1 A 39 39 VAL N N 1802 123.140 120.110 3.030 1
1 428 . 18 1 1 A 40 40 VAL H H 1803 8.195 8.296 -0.101 1
1 429 . 18 1 1 A 40 40 VAL HA H 1803 3.403 3.787 -0.384 1
1 437 . 18 1 1 A 40 40 VAL CA C 1803 66.905 65.207 1.698 1
1 438 . 18 1 1 A 40 40 VAL CB C 1803 31.907 30.936 0.971 1
1 441 . 18 1 1 A 40 40 VAL N N 1803 118.716 120.605 -1.889 1
1 442 . 18 1 1 A 41 41 GLN H H 1804 8.310 7.942 0.368 1
1 443 . 18 1 1 A 41 41 GLN HA H 1804 3.916 4.123 -0.207 1
1 450 . 18 1 1 A 41 41 GLN CA C 1804 58.591 58.631 -0.040 1
1 451 . 18 1 1 A 41 41 GLN CB C 1804 28.561 29.136 -0.575 1
1 453 . 18 1 1 A 41 41 GLN N N 1804 119.193 122.090 -2.897 1
1 455 . 18 1 1 A 42 42 HIS H H 1805 8.152 7.914 0.238 1
1 456 . 18 1 1 A 42 42 HIS HA H 1805 4.222 4.328 -0.106 1
1 461 . 18 1 1 A 42 42 HIS CA C 1805 59.139 59.411 -0.272 1
1 462 . 18 1 1 A 42 42 HIS CB C 1805 27.201 30.213 -3.012 1
1 465 . 18 1 1 A 42 42 HIS N N 1805 118.579 122.115 -3.536 1
1 466 . 18 1 1 A 43 43 THR H H 1806 7.997 7.958 0.039 1
1 467 . 18 1 1 A 43 43 THR HA H 1806 3.888 3.979 -0.091 1
1 473 . 18 1 1 A 43 43 THR CA C 1806 65.728 65.440 0.288 1
1 474 . 18 1 1 A 43 43 THR CB C 1806 69.023 68.985 0.038 1
1 476 . 18 1 1 A 43 43 THR N N 1806 113.599 113.788 -0.189 1
1 477 . 18 1 1 A 44 44 LYS H H 1807 7.381 8.632 -1.251 1
1 478 . 18 1 1 A 44 44 LYS HA H 1807 4.190 4.237 -0.047 1
1 487 . 18 1 1 A 44 44 LYS CA C 1807 58.668 58.127 0.541 1
1 488 . 18 1 1 A 44 44 LYS CB C 1807 32.731 31.380 1.351 1
1 492 . 18 1 1 A 44 44 LYS N N 1807 120.270 119.036 1.234 1
1 493 . 18 1 1 A 45 45 GLY H H 1808 7.610 7.866 -0.256 1
1 494 . 18 1 1 A 45 45 GLY HA2 H 1808 3.610 4.018 -0.408 1
1 495 . 18 1 1 A 45 45 GLY HA3 H 1808 4.380 4.038 0.342 1
1 496 . 18 1 1 A 45 45 GLY CA C 1808 44.851 45.321 -0.470 1
1 497 . 18 1 1 A 45 45 GLY N N 1808 125.480 106.505 18.975 1
1 498 . 18 1 1 A 46 46 CYS H H 1809 6.898 7.318 -0.420 1
1 499 . 18 1 1 A 46 46 CYS HA H 1809 3.957 4.170 -0.213 1
1 502 . 18 1 1 A 46 46 CYS CA C 1809 60.551 59.401 1.150 1
1 503 . 18 1 1 A 46 46 CYS CB C 1809 30.260 28.688 1.572 1
1 504 . 18 1 1 A 46 46 CYS N N 1809 123.457 120.087 3.370 1
1 505 . 18 1 1 A 47 47 LYS HA H 1810 4.471 4.101 0.370 1
1 514 . 18 1 1 A 47 47 LYS CA C 1810 56.800 58.532 -1.732 1
1 515 . 18 1 1 A 47 47 LYS CB C 1810 33.840 32.372 1.468 1
1 518 . 18 1 1 A 48 48 ARG H H 1811 8.575 7.254 1.321 1
1 519 . 18 1 1 A 48 48 ARG HA H 1811 4.366 4.534 -0.168 1
1 526 . 18 1 1 A 48 48 ARG CA C 1811 57.256 55.791 1.465 1
1 527 . 18 1 1 A 48 48 ARG CB C 1811 32.143 32.584 -0.441 1
1 530 . 18 1 1 A 48 48 ARG N N 1811 122.731 114.224 8.507 1
1 531 . 18 1 1 A 49 49 LYS H H 1812 8.663 7.736 0.927 1
1 532 . 18 1 1 A 49 49 LYS HA H 1812 4.521 4.358 0.163 1
1 539 . 18 1 1 A 49 49 LYS CA C 1812 57.256 58.064 -0.808 1
1 540 . 18 1 1 A 49 49 LYS CB C 1812 32.378 32.234 0.144 1
1 543 . 18 1 1 A 49 49 LYS N N 1812 118.409 120.423 -2.014 1
1 544 . 18 1 1 A 50 50 THR HA H 1813 4.710 3.958 0.752 1
1 549 . 18 1 1 A 50 50 THR CA C 1813 63.846 65.458 -1.612 1
1 550 . 18 1 1 A 50 50 THR CB C 1813 68.317 68.266 0.051 1
1 552 . 18 1 1 A 51 51 ASN HA H 1814 4.676 4.356 0.320 1
1 557 . 18 1 1 A 51 51 ASN CA C 1814 82.908 56.325 26.583 1
1 558 . 18 1 1 A 51 51 ASN CB C 1814 38.732 38.301 0.431 1
1 560 . 18 1 1 A 52 52 GLY H H 1815 7.879 7.933 -0.054 1
1 561 . 18 1 1 A 52 52 GLY HA2 H 1815 4.300 3.945 0.355 1
1 562 . 18 1 1 A 52 52 GLY HA3 H 1815 3.831 3.948 -0.117 1
1 563 . 18 1 1 A 52 52 GLY CA C 1815 45.557 45.370 0.187 1
1 564 . 18 1 1 A 52 52 GLY N N 1815 129.890 106.320 23.570 1
1 565 . 18 1 1 A 53 53 GLY H H 1816 7.765 7.435 0.330 1
1 566 . 18 1 1 A 53 53 GLY HA2 H 1816 3.885 3.958 -0.073 1
1 567 . 18 1 1 A 53 53 GLY HA3 H 1816 3.985 3.959 0.026 1
1 568 . 18 1 1 A 53 53 GLY CA C 1816 45.792 45.453 0.339 1
1 569 . 18 1 1 A 53 53 GLY N N 1816 128.949 107.332 21.617 1
1 570 . 18 1 1 A 54 54 CYS H H 1817 8.800 8.094 0.706 1
1 571 . 18 1 1 A 54 54 CYS HA H 1817 4.821 4.542 0.279 1
1 574 . 18 1 1 A 54 54 CYS CA C 1817 55.138 57.511 -2.373 1
1 575 . 18 1 1 A 54 54 CYS CB C 1817 30.966 28.995 1.971 1
1 576 . 18 1 1 A 54 54 CYS N N 1817 122.429 119.268 3.161 1
1 577 . 18 1 1 A 55 55 PRO HA H 1818 4.330 4.354 -0.024 1
1 584 . 18 1 1 A 55 55 PRO CA C 1818 64.787 65.662 -0.875 1
1 585 . 18 1 1 A 55 55 PRO CB C 1818 32.613 31.634 0.979 1
1 588 . 18 1 1 A 56 56 VAL H H 1819 7.750 7.713 0.037 1
1 589 . 18 1 1 A 56 56 VAL HA H 1819 3.884 3.722 0.162 1
1 597 . 18 1 1 A 56 56 VAL CA C 1819 65.728 64.875 0.853 1
1 598 . 18 1 1 A 56 56 VAL CB C 1819 32.849 31.222 1.627 1
1 601 . 18 1 1 A 56 56 VAL N N 1819 121.605 115.909 5.696 1
1 602 . 18 1 1 A 57 57 CYS H H 1820 8.884 8.097 0.787 1
1 603 . 18 1 1 A 57 57 CYS HA H 1820 4.106 3.905 0.201 1
1 606 . 18 1 1 A 57 57 CYS CA C 1820 65.728 63.889 1.839 1
1 607 . 18 1 1 A 57 57 CYS CB C 1820 30.250 26.941 3.309 1
1 608 . 18 1 1 A 57 57 CYS N N 1820 124.260 120.133 4.127 1
1 609 . 18 1 1 A 58 58 LYS H H 1821 8.133 8.098 0.035 1
1 610 . 18 1 1 A 58 58 LYS HA H 1821 3.942 3.862 0.080 1
1 619 . 18 1 1 A 58 58 LYS CA C 1821 59.610 59.768 -0.158 1
1 620 . 18 1 1 A 58 58 LYS CB C 1821 32.849 32.380 0.469 1
1 624 . 18 1 1 A 58 58 LYS N N 1821 117.129 121.042 -3.913 1
1 625 . 18 1 1 A 59 59 GLN H H 1822 7.318 7.967 -0.649 1
1 626 . 18 1 1 A 59 59 GLN HA H 1822 4.357 3.966 0.391 1
1 632 . 18 1 1 A 59 59 GLN N N 1822 117.943 118.550 -0.607 1
1 633 . 18 1 1 A 60 60 LEU H H 1823 8.667 7.789 0.878 1
1 634 . 18 1 1 A 60 60 LEU HA H 1823 4.950 3.970 0.980 1
1 647 . 18 1 1 A 60 60 LEU N N 1823 120.670 121.436 -0.766 1
1 648 . 18 1 1 A 61 61 ILE H H 1824 8.780 8.360 0.420 1
1 649 . 18 1 1 A 61 61 ILE HA H 1824 3.614 3.617 -0.003 1
1 659 . 18 1 1 A 61 61 ILE CA C 1824 64.787 65.377 -0.590 1
1 660 . 18 1 1 A 61 61 ILE CB C 1824 37.320 37.202 0.118 1
1 664 . 18 1 1 A 61 61 ILE N N 1824 119.837 119.586 0.251 1
1 665 . 18 1 1 A 62 62 ALA H H 1825 7.675 8.252 -0.577 1
1 666 . 18 1 1 A 62 62 ALA HA H 1825 4.112 4.058 0.054 1
1 670 . 18 1 1 A 62 62 ALA CA C 1825 55.374 55.287 0.087 1
1 671 . 18 1 1 A 62 62 ALA CB C 1825 18.560 18.046 0.514 1
1 672 . 18 1 1 A 62 62 ALA N N 1825 122.779 122.361 0.418 1
1 673 . 18 1 1 A 63 63 LEU H H 1826 7.983 7.758 0.225 1
1 674 . 18 1 1 A 63 63 LEU HA H 1826 4.114 4.053 0.061 1
1 684 . 18 1 1 A 63 63 LEU CA C 1826 58.334 58.053 0.281 1
1 685 . 18 1 1 A 63 63 LEU CB C 1826 42.821 41.475 1.346 1
1 689 . 18 1 1 A 63 63 LEU N N 1826 118.291 118.203 0.088 1
1 690 . 18 1 1 A 64 64 CYS H H 1827 8.663 8.211 0.452 1
1 691 . 18 1 1 A 64 64 CYS HA H 1827 4.350 4.210 0.140 1
1 694 . 18 1 1 A 64 64 CYS CA C 1827 64.800 62.716 2.084 1
1 695 . 18 1 1 A 64 64 CYS CB C 1827 26.495 25.741 0.754 1
1 696 . 18 1 1 A 64 64 CYS N N 1827 118.409 117.550 0.859 1
1 697 . 18 1 1 A 65 65 CYS H H 1828 8.672 8.570 0.102 1
1 698 . 18 1 1 A 65 65 CYS HA H 1828 4.152 4.078 0.074 1
1 701 . 18 1 1 A 65 65 CYS CA C 1828 63.547 63.145 0.402 1
1 702 . 18 1 1 A 65 65 CYS CB C 1828 26.495 26.412 0.083 1
1 703 . 18 1 1 A 65 65 CYS N N 1828 118.996 122.159 -3.163 1
1 704 . 18 1 1 A 66 66 TYR H H 1829 7.837 8.755 -0.918 1
1 705 . 18 1 1 A 66 66 TYR HA H 1829 4.199 4.226 -0.027 1
1 712 . 18 1 1 A 66 66 TYR CA C 1829 61.220 61.833 -0.613 1
1 713 . 18 1 1 A 66 66 TYR CB C 1829 38.261 38.696 -0.435 1
1 716 . 18 1 1 A 66 66 TYR N N 1829 120.650 122.234 -1.584 1
1 717 . 18 1 1 A 67 67 HIS H H 1830 8.323 8.476 -0.153 1
1 718 . 18 1 1 A 67 67 HIS HA H 1830 4.341 4.362 -0.021 1
1 723 . 18 1 1 A 67 67 HIS CA C 1830 58.668 60.313 -1.645 1
1 724 . 18 1 1 A 67 67 HIS CB C 1830 27.907 29.869 -1.962 1
1 727 . 18 1 1 A 67 67 HIS N N 1830 117.149 119.381 -2.232 1
1 728 . 18 1 1 A 68 68 ALA H H 1831 8.693 8.531 0.162 1
1 729 . 18 1 1 A 68 68 ALA HA H 1831 4.250 4.042 0.208 1
1 733 . 18 1 1 A 68 68 ALA CA C 1831 55.205 55.401 -0.196 1
1 734 . 18 1 1 A 68 68 ALA CB C 1831 20.695 18.493 2.202 1
1 735 . 18 1 1 A 68 68 ALA N N 1831 121.519 120.809 0.710 1
1 736 . 18 1 1 A 69 69 LYS H H 1832 7.126 8.245 -1.119 1
1 737 . 18 1 1 A 69 69 LYS HA H 1832 3.737 4.022 -0.285 1
1 746 . 18 1 1 A 69 69 LYS CA C 1832 57.962 59.405 -1.443 1
1 747 . 18 1 1 A 69 69 LYS CB C 1832 32.613 31.699 0.914 1
1 751 . 18 1 1 A 69 69 LYS N N 1832 114.376 118.979 -4.603 1
1 752 . 18 1 1 A 70 70 HIS H H 1833 6.884 7.351 -0.467 1
1 753 . 18 1 1 A 70 70 HIS HA H 1833 4.711 4.361 0.350 1
1 758 . 18 1 1 A 70 70 HIS CA C 1833 54.970 57.869 -2.899 1
1 759 . 18 1 1 A 70 70 HIS CB C 1833 31.201 30.832 0.369 1
1 762 . 18 1 1 A 70 70 HIS N N 1833 113.369 114.488 -1.119 1
1 763 . 18 1 1 A 71 71 CYS H H 1834 6.969 7.474 -0.505 1
1 764 . 18 1 1 A 71 71 CYS HA H 1834 4.210 4.269 -0.059 1
1 767 . 18 1 1 A 71 71 CYS CA C 1834 60.800 59.436 1.364 1
1 768 . 18 1 1 A 71 71 CYS CB C 1834 30.250 28.584 1.666 1
1 769 . 18 1 1 A 71 71 CYS N N 1834 123.813 118.109 5.704 1
1 770 . 18 1 1 A 72 72 GLN H H 1835 9.101 8.524 0.577 1
1 771 . 18 1 1 A 72 72 GLN HA H 1835 4.646 4.726 -0.080 1
1 778 . 18 1 1 A 72 72 GLN CA C 1835 54.735 55.522 -0.787 1
1 779 . 18 1 1 A 72 72 GLN CB C 1835 29.319 30.666 -1.347 1
1 781 . 18 1 1 A 72 72 GLN N N 1835 128.430 122.129 6.301 1
1 783 . 18 1 1 A 73 73 GLU H H 1836 8.331 7.283 1.048 1
1 784 . 18 1 1 A 73 73 GLU HA H 1836 4.365 4.316 0.049 1
1 788 . 18 1 1 A 73 73 GLU CA C 1836 55.374 56.764 -1.390 1
1 789 . 18 1 1 A 73 73 GLU CB C 1836 30.731 30.775 -0.044 1
1 791 . 18 1 1 A 73 73 GLU N N 1836 123.251 121.793 1.458 1
1 792 . 18 1 1 A 74 74 ASN HA H 1837 4.512 4.455 0.057 1
1 797 . 18 1 1 A 74 74 ASN CA C 1837 54.970 55.184 -0.214 1
1 798 . 18 1 1 A 74 74 ASN CB C 1837 38.732 38.437 0.295 1
1 800 . 18 1 1 A 75 75 LYS H H 1838 8.779 7.842 0.937 1
1 801 . 18 1 1 A 75 75 LYS HA H 1838 4.424 4.637 -0.213 1
1 810 . 18 1 1 A 75 75 LYS CA C 1838 54.735 55.093 -0.358 1
1 811 . 18 1 1 A 75 75 LYS CB C 1838 30.966 33.089 -2.123 1
1 815 . 18 1 1 A 75 75 LYS N N 1838 121.350 115.542 5.808 1
1 816 . 18 1 1 A 76 76 CYS H H 1839 7.590 6.986 0.604 1
1 817 . 18 1 1 A 76 76 CYS HA H 1839 4.361 4.388 -0.027 1
1 820 . 18 1 1 A 76 76 CYS CA C 1839 57.256 57.705 -0.449 1
1 821 . 18 1 1 A 76 76 CYS CB C 1839 30.731 28.340 2.391 1
1 822 . 18 1 1 A 76 76 CYS N N 1839 124.209 121.623 2.586 1
1 823 . 18 1 1 A 77 77 PRO HA H 1840 4.651 4.373 0.278 1
1 830 . 18 1 1 A 77 77 PRO CA C 1840 62.669 64.369 -1.700 1
1 831 . 18 1 1 A 77 77 PRO CB C 1840 32.849 31.933 0.916 1
1 834 . 18 1 1 A 78 78 VAL H H 1841 8.962 7.737 1.225 1
1 835 . 18 1 1 A 78 78 VAL HA H 1841 4.199 4.196 0.003 1
1 843 . 18 1 1 A 78 78 VAL CA C 1841 61.257 60.907 0.350 1
1 844 . 18 1 1 A 78 78 VAL CB C 1841 31.672 32.091 -0.419 1
1 847 . 18 1 1 A 78 78 VAL N N 1841 128.606 119.702 8.904 1
1 848 . 18 1 1 A 79 79 PRO HA H 1842 3.936 4.175 -0.239 1
1 855 . 18 1 1 A 79 79 PRO CA C 1842 63.846 65.274 -1.428 1
1 856 . 18 1 1 A 79 79 PRO CB C 1842 30.731 31.710 -0.979 1
1 859 . 18 1 1 A 80 80 PHE HA H 1843 4.255 4.190 0.065 1
1 866 . 18 1 1 A 80 80 PHE CA C 1843 59.374 60.474 -1.100 1
1 867 . 18 1 1 A 80 80 PHE CB C 1843 37.791 37.948 -0.157 1
1 870 . 18 1 1 A 81 81 CYS H H 1844 7.660 8.303 -0.643 1
1 871 . 18 1 1 A 81 81 CYS HA H 1844 3.997 4.187 -0.190 1
1 874 . 18 1 1 A 81 81 CYS CA C 1844 64.552 62.536 2.016 1
1 875 . 18 1 1 A 81 81 CYS CB C 1844 30.495 26.907 3.588 1
1 876 . 18 1 1 A 81 81 CYS N N 1844 124.104 118.335 5.769 1
1 877 . 18 1 1 A 82 82 LEU H H 1845 8.170 8.353 -0.183 1
1 878 . 18 1 1 A 82 82 LEU HA H 1845 3.988 3.964 0.024 1
1 888 . 18 1 1 A 82 82 LEU CA C 1845 57.962 58.190 -0.228 1
1 889 . 18 1 1 A 82 82 LEU CB C 1845 41.321 41.407 -0.086 1
1 893 . 18 1 1 A 82 82 LEU N N 1845 115.950 120.926 -4.976 1
1 894 . 18 1 1 A 83 83 ASN H H 1846 7.826 8.103 -0.277 1
1 895 . 18 1 1 A 83 83 ASN HA H 1846 4.447 4.597 -0.150 1
1 900 . 18 1 1 A 83 83 ASN CA C 1846 56.800 56.261 0.539 1
1 901 . 18 1 1 A 83 83 ASN CB C 1846 38.967 38.589 0.378 1
1 902 . 18 1 1 A 83 83 ASN N N 1846 116.117 118.229 -2.112 1
1 904 . 18 1 1 A 84 84 ILE H H 1847 8.607 8.308 0.299 1
1 905 . 18 1 1 A 84 84 ILE HA H 1847 3.718 3.638 0.080 1
1 915 . 18 1 1 A 84 84 ILE CA C 1847 64.787 65.438 -0.651 1
1 916 . 18 1 1 A 84 84 ILE CB C 1847 38.497 37.822 0.675 1
1 920 . 18 1 1 A 84 84 ILE N N 1847 121.553 120.678 0.875 1
1 921 . 18 1 1 A 85 85 LYS H H 1848 8.855 8.286 0.569 1
1 922 . 18 1 1 A 85 85 LYS HA H 1848 3.859 3.941 -0.082 1
1 931 . 18 1 1 A 85 85 LYS CA C 1848 60.551 59.394 1.157 1
1 932 . 18 1 1 A 85 85 LYS CB C 1848 32.613 32.340 0.273 1
1 936 . 18 1 1 A 85 85 LYS N N 1848 119.992 118.950 1.042 1
1 937 . 18 1 1 A 86 86 HIS H H 1849 8.100 8.133 -0.033 1
1 938 . 18 1 1 A 86 86 HIS HA H 1849 4.411 4.319 0.092 1
1 943 . 18 1 1 A 86 86 HIS CA C 1849 58.433 60.107 -1.674 1
1 944 . 18 1 1 A 86 86 HIS CB C 1849 30.495 29.583 0.912 1
1 947 . 18 1 1 A 86 86 HIS N N 1849 117.237 119.772 -2.535 1
1 948 . 18 1 1 A 87 87 LYS H H 1850 7.685 8.184 -0.499 1
1 949 . 18 1 1 A 87 87 LYS HA H 1850 4.128 3.868 0.260 1
1 958 . 18 1 1 A 87 87 LYS CA C 1850 57.727 59.354 -1.627 1
1 959 . 18 1 1 A 87 87 LYS CB C 1850 32.378 32.611 -0.233 1
1 963 . 18 1 1 A 87 87 LYS N N 1850 119.118 117.842 1.276 1
1 964 . 18 1 1 A 88 88 LEU H H 1851 8.230 8.599 -0.369 1
1 965 . 18 1 1 A 88 88 LEU HA H 1851 4.174 3.934 0.240 1
1 975 . 18 1 1 A 88 88 LEU CA C 1851 56.800 57.957 -1.157 1
1 976 . 18 1 1 A 88 88 LEU CB C 1851 42.262 41.444 0.818 1
1 980 . 18 1 1 A 88 88 LEU N N 1851 119.305 120.272 -0.967 1
1 981 . 18 1 1 A 89 89 ARG H H 1852 7.765 7.804 -0.039 1
1 982 . 18 1 1 A 89 89 ARG HA H 1852 4.245 4.201 0.044 1
1 989 . 18 1 1 A 89 89 ARG CA C 1852 56.550 58.452 -1.902 1
1 990 . 18 1 1 A 89 89 ARG CB C 1852 30.260 30.169 0.091 1
1 993 . 18 1 1 A 89 89 ARG N N 1852 118.302 118.287 0.015 1
1 994 . 18 1 1 A 90 90 GLN H H 1853 7.851 7.695 0.156 1
1 995 . 18 1 1 A 90 90 GLN HA H 1853 4.262 4.265 -0.003 1
1 1002 . 18 1 1 A 90 90 GLN CA C 1853 55.609 56.476 -0.867 1
1 1003 . 18 1 1 A 90 90 GLN CB C 1853 29.554 28.955 0.599 1
1 1005 . 18 1 1 A 90 90 GLN N N 1853 119.450 116.435 3.015 1
1 1007 . 18 1 1 A 91 91 GLN H H 1854 8.710 7.125 1.585 1
1 1008 . 18 1 1 A 91 91 GLN HA H 1854 4.317 4.363 -0.046 1
1 1015 . 18 1 1 A 91 91 GLN CA C 1854 55.609 55.661 -0.052 1
1 1016 . 18 1 1 A 91 91 GLN CB C 1854 29.554 29.718 -0.164 1
1 1018 . 18 1 1 A 91 91 GLN N N 1854 120.675 119.684 0.991 1
1 1038 . 18 2 2 B 2 2 HIS HA H 51 4.636 5.149 -0.513 1
1 1043 . 18 2 2 B 2 2 HIS CA C 51 55.844 53.855 1.989 1
1 1044 . 18 2 2 B 2 2 HIS CB C 51 30.495 31.987 -1.492 1
1 1047 . 18 2 2 B 3 3 MET H H 52 8.230 8.913 -0.683 1
1 1048 . 18 2 2 B 3 3 MET HA H 52 4.430 4.441 -0.011 1
1 1053 . 18 2 2 B 3 3 MET CA C 52 54.903 55.273 -0.370 1
1 1054 . 18 2 2 B 3 3 MET CB C 52 33.840 34.324 -0.484 1
1 1056 . 18 2 2 B 3 3 MET N N 52 121.881 119.222 2.659 1
1 1057 . 18 2 2 B 4 4 ALA H H 53 8.269 8.393 -0.124 1
1 1058 . 18 2 2 B 4 4 ALA HA H 53 4.586 4.541 0.045 1
1 1062 . 18 2 2 B 4 4 ALA CA C 53 51.255 50.902 0.353 1
1 1063 . 18 2 2 B 4 4 ALA CB C 53 18.796 17.847 0.949 1
1 1064 . 18 2 2 B 4 4 ALA N N 53 126.758 122.984 3.774 1
1 1065 . 18 2 2 B 5 5 PRO HA H 54 4.705 4.702 0.003 1
1 1072 . 18 2 2 B 5 5 PRO CA C 54 61.257 62.485 -1.228 1
1 1073 . 18 2 2 B 5 5 PRO CB C 54 30.966 32.827 -1.861 1
1 1076 . 18 2 2 B 6 6 GLU H H 55 8.468 8.002 0.466 1
1 1077 . 18 2 2 B 6 6 GLU HA H 55 4.150 5.001 -0.851 1
1 1082 . 18 2 2 B 6 6 GLU CA C 55 56.550 55.237 1.313 1
1 1083 . 18 2 2 B 6 6 GLU CB C 55 30.495 33.135 -2.640 1
1 1085 . 18 2 2 B 6 6 GLU N N 55 121.693 113.879 7.814 1
1 1086 . 18 2 2 B 7 7 ASP H H 56 8.574 8.788 -0.214 1
1 1087 . 18 2 2 B 7 7 ASP HA H 56 5.200 4.894 0.306 1
1 1090 . 18 2 2 B 7 7 ASP CA C 56 51.255 51.985 -0.730 1
1 1091 . 18 2 2 B 7 7 ASP CB C 56 42.262 43.750 -1.488 1
1 1092 . 18 2 2 B 7 7 ASP N N 56 120.873 119.140 1.733 1
1 1093 . 18 2 2 B 8 8 PRO HA H 57 4.465 4.476 -0.011 1
1 1100 . 18 2 2 B 8 8 PRO CA C 57 63.610 64.209 -0.599 1
1 1101 . 18 2 2 B 8 8 PRO CB C 57 32.378 31.949 0.429 1
1 1104 . 18 2 2 B 9 9 ASN H H 58 8.301 8.229 0.072 1
1 1105 . 18 2 2 B 9 9 ASN HA H 58 4.809 4.581 0.228 1
1 1110 . 18 2 2 B 9 9 ASN CA C 58 53.558 55.238 -1.680 1
1 1111 . 18 2 2 B 9 9 ASN CB C 58 38.497 38.349 0.148 1
1 1112 . 18 2 2 B 9 9 ASN N N 58 117.190 116.164 1.026 1
1 1114 . 18 2 2 B 10 10 GLU H H 59 7.366 8.434 -1.068 1
1 1115 . 18 2 2 B 10 10 GLU HA H 59 3.641 4.073 -0.432 1
1 1120 . 18 2 2 B 10 10 GLU CA C 59 60.800 58.788 2.012 1
1 1121 . 18 2 2 B 10 10 GLU CB C 59 29.554 28.622 0.932 1
1 1123 . 18 2 2 B 10 10 GLU N N 59 122.354 119.046 3.308 1
1 1124 . 18 2 2 B 11 11 GLU H H 60 8.618 8.506 0.112 1
1 1125 . 18 2 2 B 11 11 GLU HA H 60 3.933 4.012 -0.079 1
1 1130 . 18 2 2 B 11 11 GLU CA C 60 59.139 59.309 -0.170 1
1 1131 . 18 2 2 B 11 11 GLU CB C 60 29.830 29.399 0.431 1
1 1133 . 18 2 2 B 11 11 GLU N N 60 120.391 119.422 0.969 1
1 1134 . 18 2 2 B 12 12 ALA H H 61 8.280 7.888 0.392 1
1 1135 . 18 2 2 B 12 12 ALA HA H 61 4.180 4.127 0.053 1
1 1139 . 18 2 2 B 12 12 ALA CA C 61 55.205 54.864 0.341 1
1 1140 . 18 2 2 B 12 12 ALA CB C 61 20.695 18.286 2.409 1
1 1141 . 18 2 2 B 12 12 ALA N N 61 122.378 122.024 0.354 1
1 1142 . 18 2 2 B 13 13 VAL H H 62 7.773 7.893 -0.120 1
1 1143 . 18 2 2 B 13 13 VAL HA H 62 3.974 3.571 0.403 1
1 1151 . 18 2 2 B 13 13 VAL CA C 62 66.199 66.738 -0.539 1
1 1152 . 18 2 2 B 13 13 VAL CB C 62 31.907 31.291 0.616 1
1 1155 . 18 2 2 B 13 13 VAL N N 62 116.653 118.744 -2.091 1
1 1156 . 18 2 2 B 14 14 SER H H 63 8.288 8.331 -0.043 1
1 1157 . 18 2 2 B 14 14 SER HA H 63 4.620 4.283 0.337 1
1 1160 . 18 2 2 B 14 14 SER CA C 63 60.786 62.168 -1.382 1
1 1161 . 18 2 2 B 14 14 SER CB C 63 62.434 63.057 -0.623 1
1 1162 . 18 2 2 B 14 14 SER N N 63 115.328 116.300 -0.972 1
1 1163 . 18 2 2 B 15 15 GLN H H 64 7.775 7.911 -0.136 1
1 1164 . 18 2 2 B 15 15 GLN HA H 64 4.190 4.138 0.052 1
1 1171 . 18 2 2 B 15 15 GLN CA C 64 57.492 57.826 -0.334 1
1 1172 . 18 2 2 B 15 15 GLN CB C 64 28.613 28.655 -0.042 1
1 1174 . 18 2 2 B 15 15 GLN N N 64 119.350 118.423 0.927 1
1 1176 . 18 2 2 B 16 16 ILE H H 65 7.217 7.432 -0.215 1
1 1177 . 18 2 2 B 16 16 ILE HA H 65 3.788 3.767 0.021 1
1 1186 . 18 2 2 B 16 16 ILE CA C 65 61.492 63.280 -1.788 1
1 1187 . 18 2 2 B 16 16 ILE CB C 65 37.320 39.264 -1.944 1
1 1191 . 18 2 2 B 16 16 ILE N N 65 117.427 119.238 -1.811 1
1 1192 . 18 2 2 B 17 17 PHE H H 66 8.370 8.398 -0.028 1
1 1193 . 18 2 2 B 17 17 PHE HA H 66 4.407 5.019 -0.612 1
1 1200 . 18 2 2 B 17 17 PHE CA C 66 55.374 55.053 0.321 1
1 1201 . 18 2 2 B 17 17 PHE CB C 66 42.270 39.067 3.203 1
1 1205 . 18 2 2 B 17 17 PHE N N 66 117.389 118.480 -1.091 1
1 1206 . 18 2 2 B 18 18 PRO HA H 67 4.784 4.699 0.085 1
1 1213 . 18 2 2 B 18 18 PRO CA C 67 62.669 62.723 -0.054 1
1 1214 . 18 2 2 B 18 18 PRO CB C 67 32.378 33.458 -1.080 1
1 1217 . 18 2 2 B 19 19 ASP H H 68 9.127 8.757 0.370 1
1 1218 . 18 2 2 B 19 19 ASP HA H 68 4.261 4.303 -0.042 1
1 1221 . 18 2 2 B 19 19 ASP CA C 68 57.927 56.457 1.470 1
1 1222 . 18 2 2 B 19 19 ASP CB C 68 40.451 40.007 0.444 1
1 1223 . 18 2 2 B 19 19 ASP N N 68 123.618 122.710 0.908 1
1 1224 . 18 2 2 B 20 20 SER H H 69 8.624 7.701 0.923 1
1 1225 . 18 2 2 B 20 20 SER HA H 69 4.816 4.426 0.390 1
1 1226 . 18 2 2 B 20 20 SER N N 69 112.914 112.060 0.854 1
1 1227 . 18 2 2 B 21 21 VAL H H 70 7.380 7.731 -0.351 1
1 1228 . 18 2 2 B 21 21 VAL HA H 70 3.958 4.737 -0.779 1
1 1236 . 18 2 2 B 21 21 VAL CA C 70 64.316 58.929 5.387 1
1 1237 . 18 2 2 B 21 21 VAL CB C 70 32.378 35.844 -3.466 1
1 1240 . 18 2 2 B 21 21 VAL N N 70 123.280 116.695 6.585 1
1 1241 . 18 2 2 B 22 22 MET H H 71 7.638 8.792 -1.154 1
1 1242 . 18 2 2 B 22 22 MET HA H 71 4.266 4.861 -0.595 1
1 1248 . 18 2 2 B 22 22 MET CA C 71 55.844 54.688 1.156 1
1 1249 . 18 2 2 B 22 22 MET CB C 71 31.907 30.778 1.129 1
1 1251 . 18 2 2 B 22 22 MET N N 71 117.825 122.657 -4.832 1
1 1252 . 18 2 2 B 23 23 LEU H H 72 8.102 7.609 0.493 1
1 1253 . 18 2 2 B 23 23 LEU HA H 72 4.132 3.978 0.154 1
1 1263 . 18 2 2 B 23 23 LEU CA C 72 56.786 58.112 -1.326 1
1 1264 . 18 2 2 B 23 23 LEU CB C 72 42.270 41.790 0.480 1
1 1268 . 18 2 2 B 23 23 LEU N N 72 119.633 123.293 -3.660 1
1 1269 . 18 2 2 B 24 24 ALA H H 73 7.464 7.424 0.040 1
1 1270 . 18 2 2 B 24 24 ALA HA H 73 4.197 3.933 0.264 1
1 1274 . 18 2 2 B 24 24 ALA CA C 73 84.840 54.296 30.544 1
1 1275 . 18 2 2 B 24 24 ALA CB C 73 19.266 17.925 1.341 1
1 1276 . 18 2 2 B 24 24 ALA N N 73 120.682 120.557 0.125 1
1 1277 . 18 2 2 B 25 25 VAL H H 74 7.668 7.844 -0.176 1
1 1278 . 18 2 2 B 25 25 VAL HA H 74 4.258 3.834 0.424 1
1 1286 . 18 2 2 B 25 25 VAL CA C 74 62.434 64.132 -1.698 1
1 1287 . 18 2 2 B 25 25 VAL CB C 74 31.672 31.597 0.075 1
1 1290 . 18 2 2 B 25 25 VAL N N 74 112.530 116.869 -4.339 1
1 1291 . 18 2 2 B 26 26 GLN H H 75 7.806 8.065 -0.259 1
1 1292 . 18 2 2 B 26 26 GLN HA H 75 4.308 4.497 -0.189 1
1 1299 . 18 2 2 B 26 26 GLN CA C 75 56.786 55.218 1.568 1
1 1300 . 18 2 2 B 26 26 GLN CB C 75 29.554 30.098 -0.544 1
1 1302 . 18 2 2 B 26 26 GLN N N 75 121.794 115.550 6.244 1
1 1304 . 18 2 2 B 27 27 GLU H H 76 8.340 7.277 1.063 1
1 1305 . 18 2 2 B 27 27 GLU HA H 76 4.349 4.885 -0.536 1
1 1310 . 18 2 2 B 27 27 GLU CA C 76 56.315 54.685 1.630 1
1 1311 . 18 2 2 B 27 27 GLU CB C 76 30.495 33.183 -2.688 1
1 1313 . 18 2 2 B 27 27 GLU N N 76 120.410 120.419 -0.009 1
1 1314 . 18 2 2 B 28 28 GLY H H 77 8.295 8.912 -0.617 1
1 1315 . 18 2 2 B 28 28 GLY HA2 H 77 3.938 4.160 -0.222 1
1 1316 . 18 2 2 B 28 28 GLY HA3 H 77 4.190 4.176 0.014 1
1 1317 . 18 2 2 B 28 28 GLY CA C 77 45.792 44.119 1.673 1
1 1318 . 18 2 2 B 28 28 GLY N N 77 109.255 112.349 -3.094 1
1 1319 . 18 2 2 B 29 29 ILE H H 78 7.889 8.838 -0.949 1
1 1320 . 18 2 2 B 29 29 ILE HA H 78 4.166 4.302 -0.136 1
1 1330 . 18 2 2 B 29 29 ILE CA C 78 60.786 61.270 -0.484 1
1 1331 . 18 2 2 B 29 29 ILE CB C 78 39.203 38.135 1.068 1
1 1335 . 18 2 2 B 29 29 ILE N N 78 119.126 123.752 -4.626 1
1 1336 . 18 2 2 B 30 30 ASP H H 79 8.442 9.062 -0.620 1
1 1337 . 18 2 2 B 30 30 ASP HA H 79 4.577 4.477 0.100 1
1 1340 . 18 2 2 B 30 30 ASP CA C 79 55.255 54.740 0.515 1
1 1341 . 18 2 2 B 30 30 ASP CB C 79 41.850 39.322 2.528 1
1 1342 . 18 2 2 B 30 30 ASP N N 79 123.665 124.369 -0.704 1
1 1343 . 18 2 2 B 31 31 LEU H H 80 8.141 7.630 0.511 1
1 1344 . 18 2 2 B 31 31 LEU HA H 80 4.292 3.971 0.321 1
1 1354 . 18 2 2 B 31 31 LEU CA C 80 55.205 57.429 -2.224 1
1 1355 . 18 2 2 B 31 31 LEU CB C 80 42.262 41.958 0.304 1
1 1359 . 18 2 2 B 31 31 LEU N N 80 122.359 121.708 0.651 1
1 1360 . 18 2 2 B 32 32 LEU H H 81 8.840 7.871 0.969 1
1 1361 . 18 2 2 B 32 32 LEU HA H 81 4.256 4.134 0.122 1
1 1371 . 18 2 2 B 32 32 LEU CA C 81 54.903 57.758 -2.855 1
1 1372 . 18 2 2 B 32 32 LEU CB C 81 42.497 41.713 0.784 1
1 1376 . 18 2 2 B 32 32 LEU N N 81 120.762 118.225 2.537 1
1 1377 . 18 2 2 B 33 33 THR H H 82 7.728 7.895 -0.167 1
1 1378 . 18 2 2 B 33 33 THR HA H 82 4.226 4.153 0.073 1
1 1383 . 18 2 2 B 33 33 THR CA C 82 61.220 64.089 -2.869 1
1 1384 . 18 2 2 B 33 33 THR CB C 82 69.494 68.813 0.681 1
1 1386 . 18 2 2 B 33 33 THR N N 82 113.606 113.681 -0.075 1
1 1387 . 18 2 2 B 34 34 PHE H H 83 8.181 7.948 0.233 1
1 1388 . 18 2 2 B 34 34 PHE HA H 83 4.825 4.612 0.213 1
1 1395 . 18 2 2 B 34 34 PHE CA C 83 55.138 55.952 -0.814 1
1 1396 . 18 2 2 B 34 34 PHE CB C 83 39.203 38.779 0.424 1
1 1399 . 18 2 2 B 34 34 PHE N N 83 123.600 118.311 5.289 1
1 1400 . 18 2 2 B 35 35 PRO HA H 84 4.765 4.470 0.295 1
1 1407 . 18 2 2 B 35 35 PRO CA C 84 62.900 61.639 1.261 1
1 1408 . 18 2 2 B 35 35 PRO CB C 84 32.538 31.723 0.815 1
1 1411 . 18 2 2 B 36 36 PRO HA H 85 4.422 4.251 0.171 1
1 1418 . 18 2 2 B 36 36 PRO CA C 85 62.434 61.996 0.438 1
1 1419 . 18 2 2 B 36 36 PRO CB C 85 32.143 32.225 -0.082 1
1 1422 . 18 2 2 B 37 37 ALA H H 86 8.370 8.175 0.195 1
1 1423 . 18 2 2 B 37 37 ALA HA H 86 4.429 4.501 -0.072 1
1 1427 . 18 2 2 B 37 37 ALA CA C 86 50.263 50.868 -0.605 1
1 1428 . 18 2 2 B 37 37 ALA CB C 86 19.972 17.811 2.161 1
1 1429 . 18 2 2 B 37 37 ALA N N 86 125.277 123.956 1.321 1
1 1430 . 18 2 2 B 38 38 PRO HA H 87 4.388 4.451 -0.063 1
1 1437 . 18 2 2 B 38 38 PRO CA C 87 63.140 63.836 -0.696 1
1 1438 . 18 2 2 B 38 38 PRO CB C 87 32.143 31.974 0.169 1
1 1441 . 18 2 2 B 39 39 GLY H H 88 8.503 7.298 1.205 1
1 1442 . 18 2 2 B 39 39 GLY HA2 H 88 3.895 4.043 -0.148 1
1 1443 . 18 2 2 B 39 39 GLY HA3 H 88 3.981 4.047 -0.066 1
1 1444 . 18 2 2 B 39 39 GLY CA C 88 74.671 45.321 29.350 1
1 1445 . 18 2 2 B 39 39 GLY N N 88 109.831 105.263 4.568 1
1 1446 . 18 2 2 B 40 40 SER H H 89 8.800 8.476 0.324 1
1 1447 . 18 2 2 B 40 40 SER HA H 89 4.748 4.707 0.041 1
1 1450 . 18 2 2 B 40 40 SER CA C 89 56.800 57.299 -0.499 1
1 1451 . 18 2 2 B 40 40 SER CB C 89 63.140 62.474 0.666 1
1 1452 . 18 2 2 B 40 40 SER N N 89 116.937 116.770 0.167 1
1 1453 . 18 2 2 B 41 41 PRO HA H 90 4.441 4.525 -0.084 1
1 1460 . 18 2 2 B 41 41 PRO CA C 90 63.140 64.136 -0.996 1
1 1461 . 18 2 2 B 41 41 PRO CB C 90 32.143 31.976 0.167 1
1 6 . 19 1 1 A 2 2 PRO HA H 1765 4.433 4.292 0.141 1
1 13 . 19 1 1 A 2 2 PRO CA C 1765 64.810 65.593 -0.783 1
1 14 . 19 1 1 A 2 2 PRO CB C 1765 31.907 31.835 0.072 1
1 17 . 19 1 1 A 3 3 GLN H H 1766 8.442 8.118 0.324 1
1 18 . 19 1 1 A 3 3 GLN HA H 1766 3.889 4.083 -0.194 1
1 25 . 19 1 1 A 3 3 GLN CA C 1766 59.103 58.631 0.472 1
1 26 . 19 1 1 A 3 3 GLN CB C 1766 28.595 28.750 -0.155 1
1 28 . 19 1 1 A 3 3 GLN N N 1766 115.685 117.556 -1.871 1
1 30 . 19 1 1 A 4 4 GLU H H 1767 8.161 8.253 -0.092 1
1 31 . 19 1 1 A 4 4 GLU HA H 1767 4.197 4.056 0.141 1
1 36 . 19 1 1 A 4 4 GLU CA C 1767 57.727 59.508 -1.781 1
1 37 . 19 1 1 A 4 4 GLU CB C 1767 30.250 29.288 0.962 1
1 39 . 19 1 1 A 4 4 GLU N N 1767 121.941 119.547 2.394 1
1 40 . 19 1 1 A 5 5 SER H H 1768 8.291 8.205 0.086 1
1 41 . 19 1 1 A 5 5 SER HA H 1768 4.280 4.113 0.167 1
1 44 . 19 1 1 A 5 5 SER CA C 1768 60.800 61.755 -0.955 1
1 45 . 19 1 1 A 5 5 SER CB C 1768 63.435 62.858 0.577 1
1 46 . 19 1 1 A 5 5 SER N N 1768 116.360 117.224 -0.864 1
1 47 . 19 1 1 A 6 6 ARG H H 1769 7.935 8.196 -0.261 1
1 48 . 19 1 1 A 6 6 ARG HA H 1769 4.120 4.030 0.090 1
1 52 . 19 1 1 A 6 6 ARG N N 1769 122.139 122.140 -0.001 1
1 53 . 19 1 1 A 7 7 ARG H H 1770 7.952 7.809 0.143 1
1 54 . 19 1 1 A 7 7 ARG HA H 1770 3.939 4.036 -0.097 1
1 61 . 19 1 1 A 7 7 ARG N N 1770 119.527 119.643 -0.116 1
1 62 . 19 1 1 A 8 8 LEU H H 1771 8.120 8.139 -0.019 1
1 63 . 19 1 1 A 8 8 LEU HA H 1771 4.188 4.026 0.162 1
1 73 . 19 1 1 A 8 8 LEU CA C 1771 56.786 57.606 -0.820 1
1 74 . 19 1 1 A 8 8 LEU CB C 1771 41.556 41.865 -0.309 1
1 78 . 19 1 1 A 8 8 LEU N N 1771 120.237 120.927 -0.690 1
1 79 . 19 1 1 A 9 9 SER H H 1772 8.860 8.052 0.808 1
1 80 . 19 1 1 A 9 9 SER HA H 1772 4.224 4.035 0.189 1
1 83 . 19 1 1 A 9 9 SER CA C 1772 61.728 62.171 -0.443 1
1 84 . 19 1 1 A 9 9 SER CB C 1772 62.198 62.907 -0.709 1
1 85 . 19 1 1 A 9 9 SER N N 1772 116.214 113.492 2.722 1
1 86 . 19 1 1 A 10 10 ILE H H 1773 8.133 8.281 -0.148 1
1 87 . 19 1 1 A 10 10 ILE HA H 1773 3.510 3.771 -0.261 1
1 97 . 19 1 1 A 10 10 ILE CA C 1773 64.787 64.224 0.563 1
1 98 . 19 1 1 A 10 10 ILE CB C 1773 38.732 37.417 1.315 1
1 102 . 19 1 1 A 10 10 ILE N N 1773 122.927 120.820 2.107 1
1 103 . 19 1 1 A 11 11 GLN H H 1774 8.250 8.101 0.149 1
1 104 . 19 1 1 A 11 11 GLN HA H 1774 3.980 4.102 -0.122 1
1 111 . 19 1 1 A 11 11 GLN CA C 1774 58.900 58.634 0.266 1
1 113 . 19 1 1 A 11 11 GLN N N 1774 118.893 119.786 -0.893 1
1 115 . 19 1 1 A 12 12 ARG H H 1775 8.272 8.021 0.251 1
1 116 . 19 1 1 A 12 12 ARG HA H 1775 4.168 4.073 0.095 1
1 123 . 19 1 1 A 12 12 ARG CA C 1775 57.730 59.290 -1.560 1
1 126 . 19 1 1 A 12 12 ARG N N 1775 119.560 119.216 0.344 1
1 127 . 19 1 1 A 13 13 CYS HA H 1776 4.176 4.104 0.072 1
1 130 . 19 1 1 A 13 13 CYS CA C 1776 63.610 62.223 1.387 1
1 131 . 19 1 1 A 13 13 CYS CB C 1776 26.965 27.224 -0.259 1
1 132 . 19 1 1 A 14 14 ILE H H 1777 8.597 8.123 0.474 1
1 133 . 19 1 1 A 14 14 ILE HA H 1777 3.735 3.723 0.012 1
1 143 . 19 1 1 A 14 14 ILE CA C 1777 65.220 64.943 0.277 1
1 144 . 19 1 1 A 14 14 ILE CB C 1777 37.320 37.158 0.162 1
1 148 . 19 1 1 A 14 14 ILE N N 1777 120.174 120.537 -0.363 1
1 149 . 19 1 1 A 15 15 GLN H H 1778 8.105 8.069 0.036 1
1 150 . 19 1 1 A 15 15 GLN HA H 1778 4.700 4.048 0.652 1
1 157 . 19 1 1 A 15 15 GLN CA C 1778 59.139 59.011 0.128 1
1 158 . 19 1 1 A 15 15 GLN CB C 1778 28.377 28.797 -0.420 1
1 160 . 19 1 1 A 15 15 GLN N N 1778 119.677 120.327 -0.650 1
1 162 . 19 1 1 A 16 16 SER H H 1779 8.115 7.714 0.401 1
1 163 . 19 1 1 A 16 16 SER HA H 1779 4.407 4.120 0.287 1
1 166 . 19 1 1 A 16 16 SER CA C 1779 61.963 62.554 -0.591 1
1 167 . 19 1 1 A 16 16 SER CB C 1779 63.425 62.763 0.662 1
1 168 . 19 1 1 A 16 16 SER N N 1779 116.542 116.517 0.025 1
1 169 . 19 1 1 A 17 17 LEU H H 1780 8.496 7.962 0.534 1
1 170 . 19 1 1 A 17 17 LEU HA H 1780 3.970 4.046 -0.076 1
1 180 . 19 1 1 A 17 17 LEU CA C 1780 58.286 58.264 0.022 1
1 181 . 19 1 1 A 17 17 LEU CB C 1780 42.262 41.719 0.543 1
1 185 . 19 1 1 A 17 17 LEU N N 1780 124.870 123.497 1.373 1
1 186 . 19 1 1 A 18 18 VAL H H 1781 8.540 8.073 0.467 1
1 187 . 19 1 1 A 18 18 VAL HA H 1781 3.246 3.535 -0.289 1
1 195 . 19 1 1 A 18 18 VAL CA C 1781 66.905 66.645 0.260 1
1 196 . 19 1 1 A 18 18 VAL CB C 1781 31.672 31.626 0.046 1
1 199 . 19 1 1 A 18 18 VAL N N 1781 119.345 119.111 0.234 1
1 200 . 19 1 1 A 19 19 HIS H H 1782 7.944 8.132 -0.188 1
1 201 . 19 1 1 A 19 19 HIS HA H 1782 4.191 4.097 0.094 1
1 206 . 19 1 1 A 19 19 HIS CA C 1782 59.845 60.222 -0.377 1
1 207 . 19 1 1 A 19 19 HIS CB C 1782 26.965 29.707 -2.742 1
1 210 . 19 1 1 A 19 19 HIS N N 1782 116.521 119.132 -2.611 1
1 211 . 19 1 1 A 20 20 ALA H H 1783 9.830 8.314 1.516 1
1 212 . 19 1 1 A 20 20 ALA HA H 1783 4.367 4.074 0.293 1
1 216 . 19 1 1 A 20 20 ALA CA C 1783 55.191 55.028 0.163 1
1 217 . 19 1 1 A 20 20 ALA CB C 1783 20.695 18.319 2.376 1
1 218 . 19 1 1 A 20 20 ALA N N 1783 121.753 120.472 1.281 1
1 219 . 19 1 1 A 21 21 CYS H H 1784 7.913 7.520 0.393 1
1 220 . 19 1 1 A 21 21 CYS HA H 1784 4.236 4.387 -0.151 1
1 223 . 19 1 1 A 21 21 CYS CA C 1784 61.963 60.415 1.548 1
1 224 . 19 1 1 A 21 21 CYS CB C 1784 26.965 26.875 0.090 1
1 225 . 19 1 1 A 21 21 CYS N N 1784 112.237 115.301 -3.064 1
1 226 . 19 1 1 A 22 22 GLN H H 1785 7.320 8.006 -0.686 1
1 227 . 19 1 1 A 22 22 GLN HA H 1785 4.475 4.431 0.044 1
1 234 . 19 1 1 A 22 22 GLN CA C 1785 54.970 55.230 -0.260 1
1 235 . 19 1 1 A 22 22 GLN CB C 1785 30.731 29.806 0.925 1
1 237 . 19 1 1 A 22 22 GLN N N 1785 115.939 115.380 0.559 1
1 239 . 19 1 1 A 23 23 CYS H H 1786 7.268 7.476 -0.208 1
1 240 . 19 1 1 A 23 23 CYS HA H 1786 3.898 4.099 -0.201 1
1 243 . 19 1 1 A 23 23 CYS CA C 1786 60.800 60.176 0.624 1
1 244 . 19 1 1 A 23 23 CYS CB C 1786 28.848 28.738 0.110 1
1 245 . 19 1 1 A 23 23 CYS N N 1786 124.452 119.893 4.559 1
1 246 . 19 1 1 A 24 24 ARG H H 1787 8.854 8.842 0.012 1
1 247 . 19 1 1 A 24 24 ARG HA H 1787 4.539 4.254 0.285 1
1 254 . 19 1 1 A 24 24 ARG CA C 1787 54.735 57.818 -3.083 1
1 255 . 19 1 1 A 24 24 ARG CB C 1787 30.250 30.657 -0.407 1
1 258 . 19 1 1 A 24 24 ARG N N 1787 130.523 127.107 3.416 1
1 259 . 19 1 1 A 25 25 ASN H H 1788 7.553 7.754 -0.201 1
1 260 . 19 1 1 A 25 25 ASN HA H 1788 4.799 5.002 -0.203 1
1 265 . 19 1 1 A 25 25 ASN CA C 1788 51.911 51.810 0.101 1
1 266 . 19 1 1 A 25 25 ASN CB C 1788 39.203 40.492 -1.289 1
1 267 . 19 1 1 A 25 25 ASN N N 1788 119.613 118.066 1.547 1
1 269 . 19 1 1 A 26 26 ALA H H 1789 9.185 9.110 0.075 1
1 270 . 19 1 1 A 26 26 ALA HA H 1789 4.740 4.027 0.713 1
1 274 . 19 1 1 A 26 26 ALA CA C 1789 54.264 54.796 -0.532 1
1 275 . 19 1 1 A 26 26 ALA CB C 1789 18.796 18.434 0.362 1
1 276 . 19 1 1 A 26 26 ALA N N 1789 130.841 128.926 1.915 1
1 277 . 19 1 1 A 27 27 ASN H H 1790 8.520 7.716 0.804 1
1 278 . 19 1 1 A 27 27 ASN HA H 1790 4.761 4.857 -0.096 1
1 283 . 19 1 1 A 27 27 ASN CA C 1790 51.911 53.557 -1.646 1
1 284 . 19 1 1 A 27 27 ASN CB C 1790 38.967 39.042 -0.075 1
1 285 . 19 1 1 A 27 27 ASN N N 1790 113.345 113.691 -0.346 1
1 287 . 19 1 1 A 28 28 CYS H H 1791 7.224 7.321 -0.097 1
1 288 . 19 1 1 A 28 28 CYS HA H 1791 4.950 4.285 0.665 1
1 291 . 19 1 1 A 28 28 CYS CA C 1791 61.257 60.204 1.053 1
1 292 . 19 1 1 A 28 28 CYS CB C 1791 30.495 29.020 1.475 1
1 293 . 19 1 1 A 28 28 CYS N N 1791 123.463 120.534 2.929 1
1 294 . 19 1 1 A 29 29 SER H H 1792 8.811 8.900 -0.089 1
1 295 . 19 1 1 A 29 29 SER HA H 1792 4.449 4.404 0.045 1
1 298 . 19 1 1 A 29 29 SER CA C 1792 57.492 59.386 -1.894 1
1 299 . 19 1 1 A 29 29 SER CB C 1792 63.835 63.468 0.367 1
1 300 . 19 1 1 A 29 29 SER N N 1792 125.781 121.824 3.957 1
1 301 . 19 1 1 A 30 30 LEU H H 1793 7.851 7.365 0.486 1
1 302 . 19 1 1 A 30 30 LEU HA H 1793 4.507 4.438 0.069 1
1 312 . 19 1 1 A 30 30 LEU CA C 1793 53.558 53.098 0.460 1
1 313 . 19 1 1 A 30 30 LEU CB C 1793 42.270 43.448 -1.178 1
1 317 . 19 1 1 A 30 30 LEU N N 1793 125.656 124.277 1.379 1
1 318 . 19 1 1 A 31 31 PRO HA H 1794 4.363 4.266 0.097 1
1 325 . 19 1 1 A 31 31 PRO CA C 1794 64.787 65.150 -0.363 1
1 326 . 19 1 1 A 31 31 PRO CB C 1794 32.708 31.760 0.948 1
1 329 . 19 1 1 A 32 32 SER H H 1795 8.625 8.212 0.413 1
1 330 . 19 1 1 A 32 32 SER HA H 1795 4.309 4.175 0.134 1
1 332 . 19 1 1 A 32 32 SER CA C 1795 60.124 61.581 -1.457 1
1 333 . 19 1 1 A 32 32 SER CB C 1795 62.982 62.645 0.337 1
1 334 . 19 1 1 A 32 32 SER N N 1795 112.707 112.694 0.013 1
1 335 . 19 1 1 A 33 33 CYS H H 1796 6.679 8.006 -1.327 1
1 336 . 19 1 1 A 33 33 CYS HA H 1796 4.108 3.977 0.131 1
1 339 . 19 1 1 A 33 33 CYS CA C 1796 62.669 62.777 -0.108 1
1 340 . 19 1 1 A 33 33 CYS CB C 1796 30.495 26.459 4.036 1
1 341 . 19 1 1 A 33 33 CYS N N 1796 126.200 120.956 5.244 1
1 342 . 19 1 1 A 34 34 GLN H H 1797 7.870 8.074 -0.204 1
1 343 . 19 1 1 A 34 34 GLN HA H 1797 3.867 3.934 -0.067 1
1 350 . 19 1 1 A 34 34 GLN CA C 1797 59.140 59.136 0.004 1
1 351 . 19 1 1 A 34 34 GLN CB C 1797 31.360 28.030 3.330 1
1 353 . 19 1 1 A 34 34 GLN N N 1797 115.529 119.019 -3.490 1
1 355 . 19 1 1 A 35 35 LYS H H 1798 8.340 7.817 0.523 1
1 356 . 19 1 1 A 35 35 LYS HA H 1798 4.240 4.049 0.191 1
1 365 . 19 1 1 A 35 35 LYS CA C 1798 58.904 59.393 -0.489 1
1 366 . 19 1 1 A 35 35 LYS CB C 1798 32.686 32.381 0.305 1
1 370 . 19 1 1 A 35 35 LYS N N 1798 117.144 119.689 -2.545 1
1 371 . 19 1 1 A 36 36 MET H H 1799 8.163 8.447 -0.284 1
1 372 . 19 1 1 A 36 36 MET HA H 1799 4.369 4.078 0.291 1
1 380 . 19 1 1 A 36 36 MET CA C 1799 56.474 59.198 -2.724 1
1 381 . 19 1 1 A 36 36 MET CB C 1799 31.110 32.771 -1.661 1
1 384 . 19 1 1 A 36 36 MET N N 1799 117.485 119.136 -1.651 1
1 385 . 19 1 1 A 37 37 LYS H H 1800 9.337 8.203 1.134 1
1 386 . 19 1 1 A 37 37 LYS HA H 1800 3.840 4.011 -0.171 1
1 395 . 19 1 1 A 37 37 LYS CA C 1800 61.200 59.974 1.226 1
1 396 . 19 1 1 A 37 37 LYS CB C 1800 32.691 32.312 0.379 1
1 400 . 19 1 1 A 37 37 LYS N N 1800 120.830 119.098 1.732 1
1 401 . 19 1 1 A 38 38 ARG H H 1801 7.399 7.465 -0.066 1
1 402 . 19 1 1 A 38 38 ARG HA H 1801 4.490 4.040 0.450 1
1 409 . 19 1 1 A 38 38 ARG CA C 1801 59.263 59.454 -0.191 1
1 410 . 19 1 1 A 38 38 ARG CB C 1801 31.179 30.112 1.067 1
1 413 . 19 1 1 A 38 38 ARG N N 1801 118.965 119.526 -0.561 1
1 414 . 19 1 1 A 39 39 VAL H H 1802 8.420 7.844 0.576 1
1 415 . 19 1 1 A 39 39 VAL HA H 1802 3.239 3.820 -0.581 1
1 423 . 19 1 1 A 39 39 VAL CA C 1802 67.140 65.454 1.686 1
1 424 . 19 1 1 A 39 39 VAL CB C 1802 31.685 31.460 0.225 1
1 427 . 19 1 1 A 39 39 VAL N N 1802 123.140 115.790 7.350 1
1 428 . 19 1 1 A 40 40 VAL H H 1803 8.195 8.347 -0.152 1
1 429 . 19 1 1 A 40 40 VAL HA H 1803 3.403 3.592 -0.189 1
1 437 . 19 1 1 A 40 40 VAL CA C 1803 66.905 66.886 0.019 1
1 438 . 19 1 1 A 40 40 VAL CB C 1803 31.907 31.521 0.386 1
1 441 . 19 1 1 A 40 40 VAL N N 1803 118.716 121.214 -2.498 1
1 442 . 19 1 1 A 41 41 GLN H H 1804 8.310 8.260 0.050 1
1 443 . 19 1 1 A 41 41 GLN HA H 1804 3.916 4.082 -0.166 1
1 450 . 19 1 1 A 41 41 GLN CA C 1804 58.591 58.610 -0.019 1
1 451 . 19 1 1 A 41 41 GLN CB C 1804 28.561 28.680 -0.119 1
1 453 . 19 1 1 A 41 41 GLN N N 1804 119.193 118.452 0.741 1
1 455 . 19 1 1 A 42 42 HIS H H 1805 8.152 7.949 0.203 1
1 456 . 19 1 1 A 42 42 HIS HA H 1805 4.222 4.367 -0.145 1
1 461 . 19 1 1 A 42 42 HIS CA C 1805 59.139 59.437 -0.298 1
1 462 . 19 1 1 A 42 42 HIS CB C 1805 27.201 30.286 -3.085 1
1 465 . 19 1 1 A 42 42 HIS N N 1805 118.579 121.838 -3.259 1
1 466 . 19 1 1 A 43 43 THR H H 1806 7.997 8.520 -0.523 1
1 467 . 19 1 1 A 43 43 THR HA H 1806 3.888 4.075 -0.187 1
1 473 . 19 1 1 A 43 43 THR CA C 1806 65.728 65.429 0.299 1
1 474 . 19 1 1 A 43 43 THR CB C 1806 69.023 69.050 -0.027 1
1 476 . 19 1 1 A 43 43 THR N N 1806 113.599 113.817 -0.218 1
1 477 . 19 1 1 A 44 44 LYS H H 1807 7.381 8.645 -1.264 1
1 478 . 19 1 1 A 44 44 LYS HA H 1807 4.190 4.215 -0.025 1
1 487 . 19 1 1 A 44 44 LYS CA C 1807 58.668 58.108 0.560 1
1 488 . 19 1 1 A 44 44 LYS CB C 1807 32.731 31.319 1.412 1
1 492 . 19 1 1 A 44 44 LYS N N 1807 120.270 119.721 0.549 1
1 493 . 19 1 1 A 45 45 GLY H H 1808 7.610 7.934 -0.324 1
1 494 . 19 1 1 A 45 45 GLY HA2 H 1808 3.610 3.999 -0.389 1
1 495 . 19 1 1 A 45 45 GLY HA3 H 1808 4.380 4.018 0.362 1
1 496 . 19 1 1 A 45 45 GLY CA C 1808 44.851 45.309 -0.458 1
1 497 . 19 1 1 A 45 45 GLY N N 1808 125.480 106.896 18.584 1
1 498 . 19 1 1 A 46 46 CYS H H 1809 6.898 7.681 -0.783 1
1 499 . 19 1 1 A 46 46 CYS HA H 1809 3.957 4.217 -0.260 1
1 502 . 19 1 1 A 46 46 CYS CA C 1809 60.551 59.389 1.162 1
1 503 . 19 1 1 A 46 46 CYS CB C 1809 30.260 28.411 1.849 1
1 504 . 19 1 1 A 46 46 CYS N N 1809 123.457 120.156 3.301 1
1 505 . 19 1 1 A 47 47 LYS HA H 1810 4.471 4.474 -0.003 1
1 514 . 19 1 1 A 47 47 LYS CA C 1810 56.800 56.844 -0.044 1
1 515 . 19 1 1 A 47 47 LYS CB C 1810 33.840 32.843 0.997 1
1 518 . 19 1 1 A 48 48 ARG H H 1811 8.575 7.540 1.035 1
1 519 . 19 1 1 A 48 48 ARG HA H 1811 4.366 4.328 0.038 1
1 526 . 19 1 1 A 48 48 ARG CA C 1811 57.256 58.014 -0.758 1
1 527 . 19 1 1 A 48 48 ARG CB C 1811 32.143 31.729 0.414 1
1 530 . 19 1 1 A 48 48 ARG N N 1811 122.731 119.287 3.444 1
1 531 . 19 1 1 A 49 49 LYS H H 1812 8.663 7.726 0.937 1
1 532 . 19 1 1 A 49 49 LYS HA H 1812 4.521 4.141 0.380 1
1 539 . 19 1 1 A 49 49 LYS CA C 1812 57.256 58.462 -1.206 1
1 540 . 19 1 1 A 49 49 LYS CB C 1812 32.378 31.283 1.095 1
1 543 . 19 1 1 A 49 49 LYS N N 1812 118.409 117.898 0.511 1
1 544 . 19 1 1 A 50 50 THR HA H 1813 4.710 3.917 0.793 1
1 549 . 19 1 1 A 50 50 THR CA C 1813 63.846 65.999 -2.153 1
1 550 . 19 1 1 A 50 50 THR CB C 1813 68.317 68.308 0.009 1
1 552 . 19 1 1 A 51 51 ASN HA H 1814 4.676 4.421 0.255 1
1 557 . 19 1 1 A 51 51 ASN CA C 1814 82.908 55.453 27.455 1
1 558 . 19 1 1 A 51 51 ASN CB C 1814 38.732 37.264 1.468 1
1 560 . 19 1 1 A 52 52 GLY H H 1815 7.879 7.694 0.185 1
1 561 . 19 1 1 A 52 52 GLY HA2 H 1815 4.300 3.946 0.354 1
1 562 . 19 1 1 A 52 52 GLY HA3 H 1815 3.831 3.949 -0.118 1
1 563 . 19 1 1 A 52 52 GLY CA C 1815 45.557 45.449 0.108 1
1 564 . 19 1 1 A 52 52 GLY N N 1815 129.890 107.120 22.770 1
1 565 . 19 1 1 A 53 53 GLY H H 1816 7.765 7.687 0.078 1
1 566 . 19 1 1 A 53 53 GLY HA2 H 1816 3.885 4.032 -0.147 1
1 567 . 19 1 1 A 53 53 GLY HA3 H 1816 3.985 4.035 -0.050 1
1 568 . 19 1 1 A 53 53 GLY CA C 1816 45.792 45.074 0.718 1
1 569 . 19 1 1 A 53 53 GLY N N 1816 128.949 107.559 21.390 1
1 570 . 19 1 1 A 54 54 CYS H H 1817 8.800 8.072 0.728 1
1 571 . 19 1 1 A 54 54 CYS HA H 1817 4.821 4.598 0.223 1
1 574 . 19 1 1 A 54 54 CYS CA C 1817 55.138 57.386 -2.248 1
1 575 . 19 1 1 A 54 54 CYS CB C 1817 30.966 28.805 2.161 1
1 576 . 19 1 1 A 54 54 CYS N N 1817 122.429 119.575 2.854 1
1 577 . 19 1 1 A 55 55 PRO HA H 1818 4.330 4.321 0.009 1
1 584 . 19 1 1 A 55 55 PRO CA C 1818 64.787 65.225 -0.438 1
1 585 . 19 1 1 A 55 55 PRO CB C 1818 32.613 31.963 0.650 1
1 588 . 19 1 1 A 56 56 VAL H H 1819 7.750 7.322 0.428 1
1 589 . 19 1 1 A 56 56 VAL HA H 1819 3.884 3.569 0.315 1
1 597 . 19 1 1 A 56 56 VAL CA C 1819 65.728 66.170 -0.442 1
1 598 . 19 1 1 A 56 56 VAL CB C 1819 32.849 31.115 1.734 1
1 601 . 19 1 1 A 56 56 VAL N N 1819 121.605 115.568 6.037 1
1 602 . 19 1 1 A 57 57 CYS H H 1820 8.884 8.107 0.777 1
1 603 . 19 1 1 A 57 57 CYS HA H 1820 4.106 3.916 0.190 1
1 606 . 19 1 1 A 57 57 CYS CA C 1820 65.728 63.788 1.940 1
1 607 . 19 1 1 A 57 57 CYS CB C 1820 30.250 27.095 3.155 1
1 608 . 19 1 1 A 57 57 CYS N N 1820 124.260 117.478 6.782 1
1 609 . 19 1 1 A 58 58 LYS H H 1821 8.133 7.847 0.286 1
1 610 . 19 1 1 A 58 58 LYS HA H 1821 3.942 3.882 0.060 1
1 619 . 19 1 1 A 58 58 LYS CA C 1821 59.610 59.793 -0.183 1
1 620 . 19 1 1 A 58 58 LYS CB C 1821 32.849 32.252 0.597 1
1 624 . 19 1 1 A 58 58 LYS N N 1821 117.129 119.786 -2.657 1
1 625 . 19 1 1 A 59 59 GLN H H 1822 7.318 7.649 -0.331 1
1 626 . 19 1 1 A 59 59 GLN HA H 1822 4.357 3.992 0.365 1
1 632 . 19 1 1 A 59 59 GLN N N 1822 117.943 119.168 -1.225 1
1 633 . 19 1 1 A 60 60 LEU H H 1823 8.667 7.621 1.046 1
1 634 . 19 1 1 A 60 60 LEU HA H 1823 4.950 4.027 0.923 1
1 647 . 19 1 1 A 60 60 LEU N N 1823 120.670 120.476 0.194 1
1 648 . 19 1 1 A 61 61 ILE H H 1824 8.780 8.263 0.517 1
1 649 . 19 1 1 A 61 61 ILE HA H 1824 3.614 3.527 0.087 1
1 659 . 19 1 1 A 61 61 ILE CA C 1824 64.787 65.672 -0.885 1
1 660 . 19 1 1 A 61 61 ILE CB C 1824 37.320 37.369 -0.049 1
1 664 . 19 1 1 A 61 61 ILE N N 1824 119.837 118.811 1.026 1
1 665 . 19 1 1 A 62 62 ALA H H 1825 7.675 8.403 -0.728 1
1 666 . 19 1 1 A 62 62 ALA HA H 1825 4.112 4.054 0.058 1
1 670 . 19 1 1 A 62 62 ALA CA C 1825 55.374 55.240 0.134 1
1 671 . 19 1 1 A 62 62 ALA CB C 1825 18.560 18.169 0.391 1
1 672 . 19 1 1 A 62 62 ALA N N 1825 122.779 122.423 0.356 1
1 673 . 19 1 1 A 63 63 LEU H H 1826 7.983 7.754 0.229 1
1 674 . 19 1 1 A 63 63 LEU HA H 1826 4.114 4.092 0.022 1
1 684 . 19 1 1 A 63 63 LEU CA C 1826 58.334 57.910 0.424 1
1 685 . 19 1 1 A 63 63 LEU CB C 1826 42.821 41.170 1.651 1
1 689 . 19 1 1 A 63 63 LEU N N 1826 118.291 118.064 0.227 1
1 690 . 19 1 1 A 64 64 CYS H H 1827 8.663 8.349 0.314 1
1 691 . 19 1 1 A 64 64 CYS HA H 1827 4.350 4.222 0.128 1
1 694 . 19 1 1 A 64 64 CYS CA C 1827 64.800 62.733 2.067 1
1 695 . 19 1 1 A 64 64 CYS CB C 1827 26.495 25.957 0.538 1
1 696 . 19 1 1 A 64 64 CYS N N 1827 118.409 117.755 0.654 1
1 697 . 19 1 1 A 65 65 CYS H H 1828 8.672 8.497 0.175 1
1 698 . 19 1 1 A 65 65 CYS HA H 1828 4.152 4.112 0.040 1
1 701 . 19 1 1 A 65 65 CYS CA C 1828 63.547 63.724 -0.177 1
1 702 . 19 1 1 A 65 65 CYS CB C 1828 26.495 27.588 -1.093 1
1 703 . 19 1 1 A 65 65 CYS N N 1828 118.996 119.426 -0.430 1
1 704 . 19 1 1 A 66 66 TYR H H 1829 7.837 8.428 -0.591 1
1 705 . 19 1 1 A 66 66 TYR HA H 1829 4.199 4.293 -0.094 1
1 712 . 19 1 1 A 66 66 TYR CA C 1829 61.220 61.833 -0.613 1
1 713 . 19 1 1 A 66 66 TYR CB C 1829 38.261 38.719 -0.458 1
1 716 . 19 1 1 A 66 66 TYR N N 1829 120.650 122.564 -1.914 1
1 717 . 19 1 1 A 67 67 HIS H H 1830 8.323 8.392 -0.069 1
1 718 . 19 1 1 A 67 67 HIS HA H 1830 4.341 4.345 -0.004 1
1 723 . 19 1 1 A 67 67 HIS CA C 1830 58.668 60.374 -1.706 1
1 724 . 19 1 1 A 67 67 HIS CB C 1830 27.907 29.844 -1.937 1
1 727 . 19 1 1 A 67 67 HIS N N 1830 117.149 119.387 -2.238 1
1 728 . 19 1 1 A 68 68 ALA H H 1831 8.693 8.518 0.175 1
1 729 . 19 1 1 A 68 68 ALA HA H 1831 4.250 4.024 0.226 1
1 733 . 19 1 1 A 68 68 ALA CA C 1831 55.205 55.356 -0.151 1
1 734 . 19 1 1 A 68 68 ALA CB C 1831 20.695 18.482 2.213 1
1 735 . 19 1 1 A 68 68 ALA N N 1831 121.519 120.861 0.658 1
1 736 . 19 1 1 A 69 69 LYS H H 1832 7.126 8.026 -0.900 1
1 737 . 19 1 1 A 69 69 LYS HA H 1832 3.737 4.075 -0.338 1
1 746 . 19 1 1 A 69 69 LYS CA C 1832 57.962 59.530 -1.568 1
1 747 . 19 1 1 A 69 69 LYS CB C 1832 32.613 31.592 1.021 1
1 751 . 19 1 1 A 69 69 LYS N N 1832 114.376 118.745 -4.369 1
1 752 . 19 1 1 A 70 70 HIS H H 1833 6.884 7.324 -0.440 1
1 753 . 19 1 1 A 70 70 HIS HA H 1833 4.711 4.368 0.343 1
1 758 . 19 1 1 A 70 70 HIS CA C 1833 54.970 57.898 -2.928 1
1 759 . 19 1 1 A 70 70 HIS CB C 1833 31.201 30.992 0.209 1
1 762 . 19 1 1 A 70 70 HIS N N 1833 113.369 114.443 -1.074 1
1 763 . 19 1 1 A 71 71 CYS H H 1834 6.969 7.447 -0.478 1
1 764 . 19 1 1 A 71 71 CYS HA H 1834 4.210 4.198 0.012 1
1 767 . 19 1 1 A 71 71 CYS CA C 1834 60.800 59.952 0.848 1
1 768 . 19 1 1 A 71 71 CYS CB C 1834 30.250 27.920 2.330 1
1 769 . 19 1 1 A 71 71 CYS N N 1834 123.813 117.934 5.879 1
1 770 . 19 1 1 A 72 72 GLN H H 1835 9.101 8.805 0.296 1
1 771 . 19 1 1 A 72 72 GLN HA H 1835 4.646 4.591 0.055 1
1 778 . 19 1 1 A 72 72 GLN CA C 1835 54.735 55.578 -0.843 1
1 779 . 19 1 1 A 72 72 GLN CB C 1835 29.319 30.445 -1.126 1
1 781 . 19 1 1 A 72 72 GLN N N 1835 128.430 122.766 5.664 1
1 783 . 19 1 1 A 73 73 GLU H H 1836 8.331 7.837 0.494 1
1 784 . 19 1 1 A 73 73 GLU HA H 1836 4.365 4.345 0.020 1
1 788 . 19 1 1 A 73 73 GLU CA C 1836 55.374 56.207 -0.833 1
1 789 . 19 1 1 A 73 73 GLU CB C 1836 30.731 30.755 -0.024 1
1 791 . 19 1 1 A 73 73 GLU N N 1836 123.251 123.001 0.250 1
1 792 . 19 1 1 A 74 74 ASN HA H 1837 4.512 4.416 0.096 1
1 797 . 19 1 1 A 74 74 ASN CA C 1837 54.970 55.230 -0.260 1
1 798 . 19 1 1 A 74 74 ASN CB C 1837 38.732 38.324 0.408 1
1 800 . 19 1 1 A 75 75 LYS H H 1838 8.779 7.839 0.940 1
1 801 . 19 1 1 A 75 75 LYS HA H 1838 4.424 4.634 -0.210 1
1 810 . 19 1 1 A 75 75 LYS CA C 1838 54.735 55.089 -0.354 1
1 811 . 19 1 1 A 75 75 LYS CB C 1838 30.966 33.102 -2.136 1
1 815 . 19 1 1 A 75 75 LYS N N 1838 121.350 115.867 5.483 1
1 816 . 19 1 1 A 76 76 CYS H H 1839 7.590 6.987 0.603 1
1 817 . 19 1 1 A 76 76 CYS HA H 1839 4.361 4.386 -0.025 1
1 820 . 19 1 1 A 76 76 CYS CA C 1839 57.256 57.703 -0.447 1
1 821 . 19 1 1 A 76 76 CYS CB C 1839 30.731 28.311 2.420 1
1 822 . 19 1 1 A 76 76 CYS N N 1839 124.209 121.607 2.602 1
1 823 . 19 1 1 A 77 77 PRO HA H 1840 4.651 4.391 0.260 1
1 830 . 19 1 1 A 77 77 PRO CA C 1840 62.669 64.238 -1.569 1
1 831 . 19 1 1 A 77 77 PRO CB C 1840 32.849 31.946 0.903 1
1 834 . 19 1 1 A 78 78 VAL H H 1841 8.962 7.688 1.274 1
1 835 . 19 1 1 A 78 78 VAL HA H 1841 4.199 4.167 0.032 1
1 843 . 19 1 1 A 78 78 VAL CA C 1841 61.257 60.940 0.317 1
1 844 . 19 1 1 A 78 78 VAL CB C 1841 31.672 32.065 -0.393 1
1 847 . 19 1 1 A 78 78 VAL N N 1841 128.606 119.595 9.011 1
1 848 . 19 1 1 A 79 79 PRO HA H 1842 3.936 4.242 -0.306 1
1 855 . 19 1 1 A 79 79 PRO CA C 1842 63.846 65.378 -1.532 1
1 856 . 19 1 1 A 79 79 PRO CB C 1842 30.731 31.325 -0.594 1
1 859 . 19 1 1 A 80 80 PHE HA H 1843 4.255 4.232 0.023 1
1 866 . 19 1 1 A 80 80 PHE CA C 1843 59.374 60.479 -1.105 1
1 867 . 19 1 1 A 80 80 PHE CB C 1843 37.791 38.128 -0.337 1
1 870 . 19 1 1 A 81 81 CYS H H 1844 7.660 8.316 -0.656 1
1 871 . 19 1 1 A 81 81 CYS HA H 1844 3.997 4.201 -0.204 1
1 874 . 19 1 1 A 81 81 CYS CA C 1844 64.552 62.620 1.932 1
1 875 . 19 1 1 A 81 81 CYS CB C 1844 30.495 27.282 3.213 1
1 876 . 19 1 1 A 81 81 CYS N N 1844 124.104 118.521 5.583 1
1 877 . 19 1 1 A 82 82 LEU H H 1845 8.170 8.315 -0.145 1
1 878 . 19 1 1 A 82 82 LEU HA H 1845 3.988 3.966 0.022 1
1 888 . 19 1 1 A 82 82 LEU CA C 1845 57.962 58.080 -0.118 1
1 889 . 19 1 1 A 82 82 LEU CB C 1845 41.321 41.403 -0.082 1
1 893 . 19 1 1 A 82 82 LEU N N 1845 115.950 120.895 -4.945 1
1 894 . 19 1 1 A 83 83 ASN H H 1846 7.826 8.396 -0.570 1
1 895 . 19 1 1 A 83 83 ASN HA H 1846 4.447 4.470 -0.023 1
1 900 . 19 1 1 A 83 83 ASN CA C 1846 56.800 57.019 -0.219 1
1 901 . 19 1 1 A 83 83 ASN CB C 1846 38.967 39.129 -0.162 1
1 902 . 19 1 1 A 83 83 ASN N N 1846 116.117 118.210 -2.093 1
1 904 . 19 1 1 A 84 84 ILE H H 1847 8.607 8.218 0.389 1
1 905 . 19 1 1 A 84 84 ILE HA H 1847 3.718 3.623 0.095 1
1 915 . 19 1 1 A 84 84 ILE CA C 1847 64.787 65.555 -0.768 1
1 916 . 19 1 1 A 84 84 ILE CB C 1847 38.497 37.869 0.628 1
1 920 . 19 1 1 A 84 84 ILE N N 1847 121.553 119.538 2.015 1
1 921 . 19 1 1 A 85 85 LYS H H 1848 8.855 8.148 0.707 1
1 922 . 19 1 1 A 85 85 LYS HA H 1848 3.859 3.959 -0.100 1
1 931 . 19 1 1 A 85 85 LYS CA C 1848 60.551 59.238 1.313 1
1 932 . 19 1 1 A 85 85 LYS CB C 1848 32.613 32.375 0.238 1
1 936 . 19 1 1 A 85 85 LYS N N 1848 119.992 118.897 1.095 1
1 937 . 19 1 1 A 86 86 HIS H H 1849 8.100 7.832 0.268 1
1 938 . 19 1 1 A 86 86 HIS HA H 1849 4.411 4.263 0.148 1
1 943 . 19 1 1 A 86 86 HIS CA C 1849 58.433 60.097 -1.664 1
1 944 . 19 1 1 A 86 86 HIS CB C 1849 30.495 29.977 0.518 1
1 947 . 19 1 1 A 86 86 HIS N N 1849 117.237 119.725 -2.488 1
1 948 . 19 1 1 A 87 87 LYS H H 1850 7.685 8.341 -0.656 1
1 949 . 19 1 1 A 87 87 LYS HA H 1850 4.128 3.881 0.247 1
1 958 . 19 1 1 A 87 87 LYS CA C 1850 57.727 59.382 -1.655 1
1 959 . 19 1 1 A 87 87 LYS CB C 1850 32.378 32.703 -0.325 1
1 963 . 19 1 1 A 87 87 LYS N N 1850 119.118 117.490 1.628 1
1 964 . 19 1 1 A 88 88 LEU H H 1851 8.230 8.635 -0.405 1
1 965 . 19 1 1 A 88 88 LEU HA H 1851 4.174 3.956 0.218 1
1 975 . 19 1 1 A 88 88 LEU CA C 1851 56.800 57.268 -0.468 1
1 976 . 19 1 1 A 88 88 LEU CB C 1851 42.262 41.344 0.918 1
1 980 . 19 1 1 A 88 88 LEU N N 1851 119.305 119.789 -0.484 1
1 981 . 19 1 1 A 89 89 ARG H H 1852 7.765 7.736 0.029 1
1 982 . 19 1 1 A 89 89 ARG HA H 1852 4.245 4.363 -0.118 1
1 989 . 19 1 1 A 89 89 ARG CA C 1852 56.550 56.591 -0.041 1
1 990 . 19 1 1 A 89 89 ARG CB C 1852 30.260 30.682 -0.422 1
1 993 . 19 1 1 A 89 89 ARG N N 1852 118.302 118.424 -0.122 1
1 994 . 19 1 1 A 90 90 GLN H H 1853 7.851 7.925 -0.074 1
1 995 . 19 1 1 A 90 90 GLN HA H 1853 4.262 3.923 0.339 1
1 1002 . 19 1 1 A 90 90 GLN CA C 1853 55.609 58.932 -3.323 1
1 1003 . 19 1 1 A 90 90 GLN CB C 1853 29.554 28.436 1.118 1
1 1005 . 19 1 1 A 90 90 GLN N N 1853 119.450 118.781 0.669 1
1 1007 . 19 1 1 A 91 91 GLN H H 1854 8.710 7.346 1.364 1
1 1008 . 19 1 1 A 91 91 GLN HA H 1854 4.317 4.353 -0.036 1
1 1015 . 19 1 1 A 91 91 GLN CA C 1854 55.609 55.450 0.159 1
1 1016 . 19 1 1 A 91 91 GLN CB C 1854 29.554 29.363 0.191 1
1 1018 . 19 1 1 A 91 91 GLN N N 1854 120.675 116.269 4.406 1
1 1038 . 19 2 2 B 2 2 HIS HA H 51 4.636 4.893 -0.257 1
1 1043 . 19 2 2 B 2 2 HIS CA C 51 55.844 55.004 0.840 1
1 1044 . 19 2 2 B 2 2 HIS CB C 51 30.495 29.375 1.120 1
1 1047 . 19 2 2 B 3 3 MET H H 52 8.230 7.478 0.752 1
1 1048 . 19 2 2 B 3 3 MET HA H 52 4.430 4.284 0.146 1
1 1053 . 19 2 2 B 3 3 MET CA C 52 54.903 55.725 -0.822 1
1 1054 . 19 2 2 B 3 3 MET CB C 52 33.840 32.538 1.302 1
1 1056 . 19 2 2 B 3 3 MET N N 52 121.881 120.211 1.670 1
1 1057 . 19 2 2 B 4 4 ALA H H 53 8.269 8.531 -0.262 1
1 1058 . 19 2 2 B 4 4 ALA HA H 53 4.586 4.517 0.069 1
1 1062 . 19 2 2 B 4 4 ALA CA C 53 51.255 50.837 0.418 1
1 1063 . 19 2 2 B 4 4 ALA CB C 53 18.796 17.774 1.022 1
1 1064 . 19 2 2 B 4 4 ALA N N 53 126.758 126.496 0.262 1
1 1065 . 19 2 2 B 5 5 PRO HA H 54 4.705 4.686 0.019 1
1 1072 . 19 2 2 B 5 5 PRO CA C 54 61.257 62.464 -1.207 1
1 1073 . 19 2 2 B 5 5 PRO CB C 54 30.966 32.808 -1.842 1
1 1076 . 19 2 2 B 6 6 GLU H H 55 8.468 8.082 0.386 1
1 1077 . 19 2 2 B 6 6 GLU HA H 55 4.150 4.885 -0.735 1
1 1082 . 19 2 2 B 6 6 GLU CA C 55 56.550 55.247 1.303 1
1 1083 . 19 2 2 B 6 6 GLU CB C 55 30.495 33.121 -2.626 1
1 1085 . 19 2 2 B 6 6 GLU N N 55 121.693 114.334 7.359 1
1 1086 . 19 2 2 B 7 7 ASP H H 56 8.574 8.680 -0.106 1
1 1087 . 19 2 2 B 7 7 ASP HA H 56 5.200 5.049 0.151 1
1 1090 . 19 2 2 B 7 7 ASP CA C 56 51.255 50.670 0.585 1
1 1091 . 19 2 2 B 7 7 ASP CB C 56 42.262 43.946 -1.684 1
1 1092 . 19 2 2 B 7 7 ASP N N 56 120.873 119.974 0.899 1
1 1093 . 19 2 2 B 8 8 PRO HA H 57 4.465 4.377 0.088 1
1 1100 . 19 2 2 B 8 8 PRO CA C 57 63.610 64.346 -0.736 1
1 1101 . 19 2 2 B 8 8 PRO CB C 57 32.378 31.945 0.433 1
1 1104 . 19 2 2 B 9 9 ASN H H 58 8.301 8.577 -0.276 1
1 1105 . 19 2 2 B 9 9 ASN HA H 58 4.809 4.674 0.135 1
1 1110 . 19 2 2 B 9 9 ASN CA C 58 53.558 53.818 -0.260 1
1 1111 . 19 2 2 B 9 9 ASN CB C 58 38.497 39.139 -0.642 1
1 1112 . 19 2 2 B 9 9 ASN N N 58 117.190 116.232 0.958 1
1 1114 . 19 2 2 B 10 10 GLU H H 59 7.366 8.204 -0.838 1
1 1115 . 19 2 2 B 10 10 GLU HA H 59 3.641 4.016 -0.375 1
1 1120 . 19 2 2 B 10 10 GLU CA C 59 60.800 59.131 1.669 1
1 1121 . 19 2 2 B 10 10 GLU CB C 59 29.554 28.672 0.882 1
1 1123 . 19 2 2 B 10 10 GLU N N 59 122.354 118.768 3.586 1
1 1124 . 19 2 2 B 11 11 GLU H H 60 8.618 8.261 0.357 1
1 1125 . 19 2 2 B 11 11 GLU HA H 60 3.933 4.045 -0.112 1
1 1130 . 19 2 2 B 11 11 GLU CA C 60 59.139 59.377 -0.238 1
1 1131 . 19 2 2 B 11 11 GLU CB C 60 29.830 29.357 0.473 1
1 1133 . 19 2 2 B 11 11 GLU N N 60 120.391 120.241 0.150 1
1 1134 . 19 2 2 B 12 12 ALA H H 61 8.280 7.364 0.916 1
1 1135 . 19 2 2 B 12 12 ALA HA H 61 4.180 4.048 0.132 1
1 1139 . 19 2 2 B 12 12 ALA CA C 61 55.205 54.546 0.659 1
1 1140 . 19 2 2 B 12 12 ALA CB C 61 20.695 18.128 2.567 1
1 1141 . 19 2 2 B 12 12 ALA N N 61 122.378 121.210 1.168 1
1 1142 . 19 2 2 B 13 13 VAL H H 62 7.773 7.177 0.596 1
1 1143 . 19 2 2 B 13 13 VAL HA H 62 3.974 3.380 0.594 1
1 1151 . 19 2 2 B 13 13 VAL CA C 62 66.199 66.046 0.153 1
1 1152 . 19 2 2 B 13 13 VAL CB C 62 31.907 31.606 0.301 1
1 1155 . 19 2 2 B 13 13 VAL N N 62 116.653 118.147 -1.494 1
1 1156 . 19 2 2 B 14 14 SER H H 63 8.288 8.126 0.162 1
1 1157 . 19 2 2 B 14 14 SER HA H 63 4.620 3.985 0.635 1
1 1160 . 19 2 2 B 14 14 SER CA C 63 60.786 62.201 -1.415 1
1 1161 . 19 2 2 B 14 14 SER CB C 63 62.434 63.189 -0.755 1
1 1162 . 19 2 2 B 14 14 SER N N 63 115.328 115.938 -0.610 1
1 1163 . 19 2 2 B 15 15 GLN H H 64 7.775 7.956 -0.181 1
1 1164 . 19 2 2 B 15 15 GLN HA H 64 4.190 4.055 0.135 1
1 1171 . 19 2 2 B 15 15 GLN CA C 64 57.492 58.367 -0.875 1
1 1172 . 19 2 2 B 15 15 GLN CB C 64 28.613 27.411 1.202 1
1 1174 . 19 2 2 B 15 15 GLN N N 64 119.350 118.518 0.832 1
1 1176 . 19 2 2 B 16 16 ILE H H 65 7.217 7.428 -0.211 1
1 1177 . 19 2 2 B 16 16 ILE HA H 65 3.788 3.929 -0.141 1
1 1186 . 19 2 2 B 16 16 ILE CA C 65 61.492 63.442 -1.950 1
1 1187 . 19 2 2 B 16 16 ILE CB C 65 37.320 38.989 -1.669 1
1 1191 . 19 2 2 B 16 16 ILE N N 65 117.427 119.251 -1.824 1
1 1192 . 19 2 2 B 17 17 PHE H H 66 8.370 7.711 0.659 1
1 1193 . 19 2 2 B 17 17 PHE HA H 66 4.407 4.935 -0.528 1
1 1200 . 19 2 2 B 17 17 PHE CA C 66 55.374 54.700 0.674 1
1 1201 . 19 2 2 B 17 17 PHE CB C 66 42.270 39.551 2.719 1
1 1205 . 19 2 2 B 17 17 PHE N N 66 117.389 115.107 2.282 1
1 1206 . 19 2 2 B 18 18 PRO HA H 67 4.784 4.784 0.000 1
1 1213 . 19 2 2 B 18 18 PRO CA C 67 62.669 62.373 0.296 1
1 1214 . 19 2 2 B 18 18 PRO CB C 67 32.378 33.320 -0.942 1
1 1217 . 19 2 2 B 19 19 ASP H H 68 9.127 9.082 0.045 1
1 1218 . 19 2 2 B 19 19 ASP HA H 68 4.261 4.437 -0.176 1
1 1221 . 19 2 2 B 19 19 ASP CA C 68 57.927 56.763 1.164 1
1 1222 . 19 2 2 B 19 19 ASP CB C 68 40.451 40.500 -0.049 1
1 1223 . 19 2 2 B 19 19 ASP N N 68 123.618 123.258 0.360 1
1 1224 . 19 2 2 B 20 20 SER H H 69 8.624 7.821 0.803 1
1 1225 . 19 2 2 B 20 20 SER HA H 69 4.816 4.365 0.451 1
1 1226 . 19 2 2 B 20 20 SER N N 69 112.914 113.776 -0.862 1
1 1227 . 19 2 2 B 21 21 VAL H H 70 7.380 7.686 -0.306 1
1 1228 . 19 2 2 B 21 21 VAL HA H 70 3.958 4.762 -0.804 1
1 1236 . 19 2 2 B 21 21 VAL CA C 70 64.316 58.751 5.565 1
1 1237 . 19 2 2 B 21 21 VAL CB C 70 32.378 35.614 -3.236 1
1 1240 . 19 2 2 B 21 21 VAL N N 70 123.280 114.657 8.623 1
1 1241 . 19 2 2 B 22 22 MET H H 71 7.638 8.649 -1.011 1
1 1242 . 19 2 2 B 22 22 MET HA H 71 4.266 4.513 -0.247 1
1 1248 . 19 2 2 B 22 22 MET CA C 71 55.844 53.920 1.924 1
1 1249 . 19 2 2 B 22 22 MET CB C 71 31.907 31.046 0.861 1
1 1251 . 19 2 2 B 22 22 MET N N 71 117.825 123.315 -5.490 1
1 1252 . 19 2 2 B 23 23 LEU H H 72 8.102 7.823 0.279 1
1 1253 . 19 2 2 B 23 23 LEU HA H 72 4.132 4.060 0.072 1
1 1263 . 19 2 2 B 23 23 LEU CA C 72 56.786 57.876 -1.090 1
1 1264 . 19 2 2 B 23 23 LEU CB C 72 42.270 41.989 0.281 1
1 1268 . 19 2 2 B 23 23 LEU N N 72 119.633 126.562 -6.929 1
1 1269 . 19 2 2 B 24 24 ALA H H 73 7.464 8.269 -0.805 1
1 1270 . 19 2 2 B 24 24 ALA HA H 73 4.197 4.210 -0.013 1
1 1274 . 19 2 2 B 24 24 ALA CA C 73 84.840 54.611 30.229 1
1 1275 . 19 2 2 B 24 24 ALA CB C 73 19.266 18.479 0.787 1
1 1276 . 19 2 2 B 24 24 ALA N N 73 120.682 121.073 -0.391 1
1 1277 . 19 2 2 B 25 25 VAL H H 74 7.668 7.925 -0.257 1
1 1278 . 19 2 2 B 25 25 VAL HA H 74 4.258 3.850 0.408 1
1 1286 . 19 2 2 B 25 25 VAL CA C 74 62.434 64.235 -1.801 1
1 1287 . 19 2 2 B 25 25 VAL CB C 74 31.672 31.620 0.052 1
1 1290 . 19 2 2 B 25 25 VAL N N 74 112.530 116.782 -4.252 1
1 1291 . 19 2 2 B 26 26 GLN H H 75 7.806 8.160 -0.354 1
1 1292 . 19 2 2 B 26 26 GLN HA H 75 4.308 4.546 -0.238 1
1 1299 . 19 2 2 B 26 26 GLN CA C 75 56.786 55.576 1.210 1
1 1300 . 19 2 2 B 26 26 GLN CB C 75 29.554 30.489 -0.935 1
1 1302 . 19 2 2 B 26 26 GLN N N 75 121.794 116.244 5.550 1
1 1304 . 19 2 2 B 27 27 GLU H H 76 8.340 7.814 0.526 1
1 1305 . 19 2 2 B 27 27 GLU HA H 76 4.349 4.298 0.051 1
1 1310 . 19 2 2 B 27 27 GLU CA C 76 56.315 56.940 -0.625 1
1 1311 . 19 2 2 B 27 27 GLU CB C 76 30.495 30.921 -0.426 1
1 1313 . 19 2 2 B 27 27 GLU N N 76 120.410 120.959 -0.549 1
1 1314 . 19 2 2 B 28 28 GLY H H 77 8.295 8.804 -0.509 1
1 1315 . 19 2 2 B 28 28 GLY HA2 H 77 3.938 4.236 -0.298 1
1 1316 . 19 2 2 B 28 28 GLY HA3 H 77 4.190 4.238 -0.048 1
1 1317 . 19 2 2 B 28 28 GLY CA C 77 45.792 45.204 0.588 1
1 1318 . 19 2 2 B 28 28 GLY N N 77 109.255 111.114 -1.859 1
1 1319 . 19 2 2 B 29 29 ILE H H 78 7.889 8.345 -0.456 1
1 1320 . 19 2 2 B 29 29 ILE HA H 78 4.166 4.019 0.147 1
1 1330 . 19 2 2 B 29 29 ILE CA C 78 60.786 61.947 -1.161 1
1 1331 . 19 2 2 B 29 29 ILE CB C 78 39.203 38.011 1.192 1
1 1335 . 19 2 2 B 29 29 ILE N N 78 119.126 125.662 -6.536 1
1 1336 . 19 2 2 B 30 30 ASP H H 79 8.442 9.021 -0.579 1
1 1337 . 19 2 2 B 30 30 ASP HA H 79 4.577 4.444 0.133 1
1 1340 . 19 2 2 B 30 30 ASP CA C 79 55.255 55.744 -0.489 1
1 1341 . 19 2 2 B 30 30 ASP CB C 79 41.850 39.905 1.945 1
1 1342 . 19 2 2 B 30 30 ASP N N 79 123.665 126.176 -2.511 1
1 1343 . 19 2 2 B 31 31 LEU H H 80 8.141 7.819 0.322 1
1 1344 . 19 2 2 B 31 31 LEU HA H 80 4.292 3.865 0.427 1
1 1354 . 19 2 2 B 31 31 LEU CA C 80 55.205 57.280 -2.075 1
1 1355 . 19 2 2 B 31 31 LEU CB C 80 42.262 41.751 0.511 1
1 1359 . 19 2 2 B 31 31 LEU N N 80 122.359 122.146 0.213 1
1 1360 . 19 2 2 B 32 32 LEU H H 81 8.840 7.863 0.977 1
1 1361 . 19 2 2 B 32 32 LEU HA H 81 4.256 4.014 0.242 1
1 1371 . 19 2 2 B 32 32 LEU CA C 81 54.903 58.072 -3.169 1
1 1372 . 19 2 2 B 32 32 LEU CB C 81 42.497 41.788 0.709 1
1 1376 . 19 2 2 B 32 32 LEU N N 81 120.762 118.547 2.215 1
1 1377 . 19 2 2 B 33 33 THR H H 82 7.728 7.408 0.320 1
1 1378 . 19 2 2 B 33 33 THR HA H 82 4.226 4.370 -0.144 1
1 1383 . 19 2 2 B 33 33 THR CA C 82 61.220 63.696 -2.476 1
1 1384 . 19 2 2 B 33 33 THR CB C 82 69.494 68.997 0.497 1
1 1386 . 19 2 2 B 33 33 THR N N 82 113.606 112.892 0.714 1
1 1387 . 19 2 2 B 34 34 PHE H H 83 8.181 7.869 0.312 1
1 1388 . 19 2 2 B 34 34 PHE HA H 83 4.825 4.705 0.120 1
1 1395 . 19 2 2 B 34 34 PHE CA C 83 55.138 55.971 -0.833 1
1 1396 . 19 2 2 B 34 34 PHE CB C 83 39.203 38.480 0.723 1
1 1399 . 19 2 2 B 34 34 PHE N N 83 123.600 120.705 2.895 1
1 1400 . 19 2 2 B 35 35 PRO HA H 84 4.765 4.721 0.044 1
1 1407 . 19 2 2 B 35 35 PRO CA C 84 62.900 61.843 1.057 1
1 1408 . 19 2 2 B 35 35 PRO CB C 84 32.538 32.286 0.252 1
1 1411 . 19 2 2 B 36 36 PRO HA H 85 4.422 4.366 0.056 1
1 1418 . 19 2 2 B 36 36 PRO CA C 85 62.434 64.901 -2.467 1
1 1419 . 19 2 2 B 36 36 PRO CB C 85 32.143 32.123 0.020 1
1 1422 . 19 2 2 B 37 37 ALA H H 86 8.370 7.243 1.127 1
1 1423 . 19 2 2 B 37 37 ALA HA H 86 4.429 4.819 -0.390 1
1 1427 . 19 2 2 B 37 37 ALA CA C 86 50.263 49.968 0.295 1
1 1428 . 19 2 2 B 37 37 ALA CB C 86 19.972 21.454 -1.482 1
1 1429 . 19 2 2 B 37 37 ALA N N 86 125.277 116.691 8.586 1
1 1430 . 19 2 2 B 38 38 PRO HA H 87 4.388 4.673 -0.285 1
1 1437 . 19 2 2 B 38 38 PRO CA C 87 63.140 63.146 -0.006 1
1 1438 . 19 2 2 B 38 38 PRO CB C 87 32.143 31.721 0.422 1
1 1441 . 19 2 2 B 39 39 GLY H H 88 8.503 8.677 -0.174 1
1 1442 . 19 2 2 B 39 39 GLY HA2 H 88 3.895 3.887 0.008 1
1 1443 . 19 2 2 B 39 39 GLY HA3 H 88 3.981 3.890 0.091 1
1 1444 . 19 2 2 B 39 39 GLY CA C 88 74.671 45.696 28.975 1
1 1445 . 19 2 2 B 39 39 GLY N N 88 109.831 109.437 0.394 1
1 1446 . 19 2 2 B 40 40 SER H H 89 8.800 7.766 1.034 1
1 1447 . 19 2 2 B 40 40 SER HA H 89 4.748 4.471 0.277 1
1 1450 . 19 2 2 B 40 40 SER CA C 89 56.800 57.379 -0.579 1
1 1451 . 19 2 2 B 40 40 SER CB C 89 63.140 62.732 0.408 1
1 1452 . 19 2 2 B 40 40 SER N N 89 116.937 117.069 -0.132 1
1 1453 . 19 2 2 B 41 41 PRO HA H 90 4.441 4.500 -0.059 1
1 1460 . 19 2 2 B 41 41 PRO CA C 90 63.140 64.214 -1.074 1
1 1461 . 19 2 2 B 41 41 PRO CB C 90 32.143 31.914 0.229 1
1 6 . 20 1 1 A 2 2 PRO HA H 1765 4.433 4.354 0.079 1
1 13 . 20 1 1 A 2 2 PRO CA C 1765 64.810 65.338 -0.528 1
1 14 . 20 1 1 A 2 2 PRO CB C 1765 31.907 32.019 -0.112 1
1 17 . 20 1 1 A 3 3 GLN H H 1766 8.442 8.450 -0.008 1
1 18 . 20 1 1 A 3 3 GLN HA H 1766 3.889 4.099 -0.210 1
1 25 . 20 1 1 A 3 3 GLN CA C 1766 59.103 58.696 0.407 1
1 26 . 20 1 1 A 3 3 GLN CB C 1766 28.595 27.878 0.717 1
1 28 . 20 1 1 A 3 3 GLN N N 1766 115.685 116.799 -1.114 1
1 30 . 20 1 1 A 4 4 GLU H H 1767 8.161 8.420 -0.259 1
1 31 . 20 1 1 A 4 4 GLU HA H 1767 4.197 4.080 0.117 1
1 36 . 20 1 1 A 4 4 GLU CA C 1767 57.727 59.384 -1.657 1
1 37 . 20 1 1 A 4 4 GLU CB C 1767 30.250 29.249 1.001 1
1 39 . 20 1 1 A 4 4 GLU N N 1767 121.941 120.771 1.170 1
1 40 . 20 1 1 A 5 5 SER H H 1768 8.291 8.087 0.204 1
1 41 . 20 1 1 A 5 5 SER HA H 1768 4.280 4.132 0.148 1
1 44 . 20 1 1 A 5 5 SER CA C 1768 60.800 61.245 -0.445 1
1 45 . 20 1 1 A 5 5 SER CB C 1768 63.435 62.451 0.984 1
1 46 . 20 1 1 A 5 5 SER N N 1768 116.360 115.728 0.632 1
1 47 . 20 1 1 A 6 6 ARG H H 1769 7.935 7.551 0.384 1
1 48 . 20 1 1 A 6 6 ARG HA H 1769 4.120 4.056 0.064 1
1 52 . 20 1 1 A 6 6 ARG N N 1769 122.139 122.301 -0.162 1
1 53 . 20 1 1 A 7 7 ARG H H 1770 7.952 7.481 0.471 1
1 54 . 20 1 1 A 7 7 ARG HA H 1770 3.939 4.024 -0.085 1
1 61 . 20 1 1 A 7 7 ARG N N 1770 119.527 119.955 -0.428 1
1 62 . 20 1 1 A 8 8 LEU H H 1771 8.120 8.293 -0.173 1
1 63 . 20 1 1 A 8 8 LEU HA H 1771 4.188 4.002 0.186 1
1 73 . 20 1 1 A 8 8 LEU CA C 1771 56.786 57.816 -1.030 1
1 74 . 20 1 1 A 8 8 LEU CB C 1771 41.556 41.624 -0.068 1
1 78 . 20 1 1 A 8 8 LEU N N 1771 120.237 120.232 0.005 1
1 79 . 20 1 1 A 9 9 SER H H 1772 8.860 8.014 0.846 1
1 80 . 20 1 1 A 9 9 SER HA H 1772 4.224 4.079 0.145 1
1 83 . 20 1 1 A 9 9 SER CA C 1772 61.728 62.387 -0.659 1
1 84 . 20 1 1 A 9 9 SER CB C 1772 62.198 62.806 -0.608 1
1 85 . 20 1 1 A 9 9 SER N N 1772 116.214 114.012 2.202 1
1 86 . 20 1 1 A 10 10 ILE H H 1773 8.133 7.970 0.163 1
1 87 . 20 1 1 A 10 10 ILE HA H 1773 3.510 3.497 0.013 1
1 97 . 20 1 1 A 10 10 ILE CA C 1773 64.787 65.091 -0.304 1
1 98 . 20 1 1 A 10 10 ILE CB C 1773 38.732 37.422 1.310 1
1 102 . 20 1 1 A 10 10 ILE N N 1773 122.927 121.194 1.733 1
1 103 . 20 1 1 A 11 11 GLN H H 1774 8.250 7.933 0.317 1
1 104 . 20 1 1 A 11 11 GLN HA H 1774 3.980 4.021 -0.041 1
1 111 . 20 1 1 A 11 11 GLN CA C 1774 58.900 58.096 0.804 1
1 113 . 20 1 1 A 11 11 GLN N N 1774 118.893 120.121 -1.228 1
1 115 . 20 1 1 A 12 12 ARG H H 1775 8.272 7.617 0.655 1
1 116 . 20 1 1 A 12 12 ARG HA H 1775 4.168 4.055 0.113 1
1 123 . 20 1 1 A 12 12 ARG CA C 1775 57.730 59.448 -1.718 1
1 126 . 20 1 1 A 12 12 ARG N N 1775 119.560 119.191 0.369 1
1 127 . 20 1 1 A 13 13 CYS HA H 1776 4.176 4.185 -0.009 1
1 130 . 20 1 1 A 13 13 CYS CA C 1776 63.610 62.048 1.562 1
1 131 . 20 1 1 A 13 13 CYS CB C 1776 26.965 27.387 -0.422 1
1 132 . 20 1 1 A 14 14 ILE H H 1777 8.597 8.147 0.450 1
1 133 . 20 1 1 A 14 14 ILE HA H 1777 3.735 3.716 0.019 1
1 143 . 20 1 1 A 14 14 ILE CA C 1777 65.220 65.002 0.218 1
1 144 . 20 1 1 A 14 14 ILE CB C 1777 37.320 36.995 0.325 1
1 148 . 20 1 1 A 14 14 ILE N N 1777 120.174 120.704 -0.530 1
1 149 . 20 1 1 A 15 15 GLN H H 1778 8.105 8.149 -0.044 1
1 150 . 20 1 1 A 15 15 GLN HA H 1778 4.700 4.016 0.684 1
1 157 . 20 1 1 A 15 15 GLN CA C 1778 59.139 59.034 0.105 1
1 158 . 20 1 1 A 15 15 GLN CB C 1778 28.377 28.642 -0.265 1
1 160 . 20 1 1 A 15 15 GLN N N 1778 119.677 120.233 -0.556 1
1 162 . 20 1 1 A 16 16 SER H H 1779 8.115 7.607 0.508 1
1 163 . 20 1 1 A 16 16 SER HA H 1779 4.407 4.110 0.297 1
1 166 . 20 1 1 A 16 16 SER CA C 1779 61.963 62.504 -0.541 1
1 167 . 20 1 1 A 16 16 SER CB C 1779 63.425 63.097 0.328 1
1 168 . 20 1 1 A 16 16 SER N N 1779 116.542 116.361 0.181 1
1 169 . 20 1 1 A 17 17 LEU H H 1780 8.496 8.099 0.397 1
1 170 . 20 1 1 A 17 17 LEU HA H 1780 3.970 4.041 -0.071 1
1 180 . 20 1 1 A 17 17 LEU CA C 1780 58.286 58.555 -0.269 1
1 181 . 20 1 1 A 17 17 LEU CB C 1780 42.262 42.056 0.206 1
1 185 . 20 1 1 A 17 17 LEU N N 1780 124.870 122.993 1.877 1
1 186 . 20 1 1 A 18 18 VAL H H 1781 8.540 8.252 0.288 1
1 187 . 20 1 1 A 18 18 VAL HA H 1781 3.246 3.547 -0.301 1
1 195 . 20 1 1 A 18 18 VAL CA C 1781 66.905 66.598 0.307 1
1 196 . 20 1 1 A 18 18 VAL CB C 1781 31.672 31.693 -0.021 1
1 199 . 20 1 1 A 18 18 VAL N N 1781 119.345 119.168 0.177 1
1 200 . 20 1 1 A 19 19 HIS H H 1782 7.944 8.352 -0.408 1
1 201 . 20 1 1 A 19 19 HIS HA H 1782 4.191 4.098 0.093 1
1 206 . 20 1 1 A 19 19 HIS CA C 1782 59.845 60.260 -0.415 1
1 207 . 20 1 1 A 19 19 HIS CB C 1782 26.965 29.938 -2.973 1
1 210 . 20 1 1 A 19 19 HIS N N 1782 116.521 119.134 -2.613 1
1 211 . 20 1 1 A 20 20 ALA H H 1783 9.830 8.514 1.316 1
1 212 . 20 1 1 A 20 20 ALA HA H 1783 4.367 4.069 0.298 1
1 216 . 20 1 1 A 20 20 ALA CA C 1783 55.191 55.062 0.129 1
1 217 . 20 1 1 A 20 20 ALA CB C 1783 20.695 18.385 2.310 1
1 218 . 20 1 1 A 20 20 ALA N N 1783 121.753 120.412 1.341 1
1 219 . 20 1 1 A 21 21 CYS H H 1784 7.913 7.731 0.182 1
1 220 . 20 1 1 A 21 21 CYS HA H 1784 4.236 4.306 -0.070 1
1 223 . 20 1 1 A 21 21 CYS CA C 1784 61.963 61.017 0.946 1
1 224 . 20 1 1 A 21 21 CYS CB C 1784 26.965 27.170 -0.205 1
1 225 . 20 1 1 A 21 21 CYS N N 1784 112.237 115.664 -3.427 1
1 226 . 20 1 1 A 22 22 GLN H H 1785 7.320 8.035 -0.715 1
1 227 . 20 1 1 A 22 22 GLN HA H 1785 4.475 4.438 0.037 1
1 234 . 20 1 1 A 22 22 GLN CA C 1785 54.970 55.243 -0.273 1
1 235 . 20 1 1 A 22 22 GLN CB C 1785 30.731 29.773 0.958 1
1 237 . 20 1 1 A 22 22 GLN N N 1785 115.939 115.499 0.440 1
1 239 . 20 1 1 A 23 23 CYS H H 1786 7.268 7.507 -0.239 1
1 240 . 20 1 1 A 23 23 CYS HA H 1786 3.898 4.065 -0.167 1
1 243 . 20 1 1 A 23 23 CYS CA C 1786 60.800 60.022 0.778 1
1 244 . 20 1 1 A 23 23 CYS CB C 1786 28.848 28.539 0.309 1
1 245 . 20 1 1 A 23 23 CYS N N 1786 124.452 119.928 4.524 1
1 246 . 20 1 1 A 24 24 ARG H H 1787 8.854 8.826 0.028 1
1 247 . 20 1 1 A 24 24 ARG HA H 1787 4.539 4.259 0.280 1
1 254 . 20 1 1 A 24 24 ARG CA C 1787 54.735 57.987 -3.252 1
1 255 . 20 1 1 A 24 24 ARG CB C 1787 30.250 30.242 0.008 1
1 258 . 20 1 1 A 24 24 ARG N N 1787 130.523 127.941 2.582 1
1 259 . 20 1 1 A 25 25 ASN H H 1788 7.553 7.724 -0.171 1
1 260 . 20 1 1 A 25 25 ASN HA H 1788 4.799 5.038 -0.239 1
1 265 . 20 1 1 A 25 25 ASN CA C 1788 51.911 51.875 0.036 1
1 266 . 20 1 1 A 25 25 ASN CB C 1788 39.203 40.049 -0.846 1
1 267 . 20 1 1 A 25 25 ASN N N 1788 119.613 118.319 1.294 1
1 269 . 20 1 1 A 26 26 ALA H H 1789 9.185 9.004 0.181 1
1 270 . 20 1 1 A 26 26 ALA HA H 1789 4.740 4.072 0.668 1
1 274 . 20 1 1 A 26 26 ALA CA C 1789 54.264 54.648 -0.384 1
1 275 . 20 1 1 A 26 26 ALA CB C 1789 18.796 18.454 0.342 1
1 276 . 20 1 1 A 26 26 ALA N N 1789 130.841 128.873 1.968 1
1 277 . 20 1 1 A 27 27 ASN H H 1790 8.520 7.989 0.531 1
1 278 . 20 1 1 A 27 27 ASN HA H 1790 4.761 4.934 -0.173 1
1 283 . 20 1 1 A 27 27 ASN CA C 1790 51.911 53.136 -1.225 1
1 284 . 20 1 1 A 27 27 ASN CB C 1790 38.967 39.592 -0.625 1
1 285 . 20 1 1 A 27 27 ASN N N 1790 113.345 114.033 -0.688 1
1 287 . 20 1 1 A 28 28 CYS H H 1791 7.224 7.301 -0.077 1
1 288 . 20 1 1 A 28 28 CYS HA H 1791 4.950 4.254 0.696 1
1 291 . 20 1 1 A 28 28 CYS CA C 1791 61.257 60.127 1.130 1
1 292 . 20 1 1 A 28 28 CYS CB C 1791 30.495 28.745 1.750 1
1 293 . 20 1 1 A 28 28 CYS N N 1791 123.463 120.696 2.767 1
1 294 . 20 1 1 A 29 29 SER H H 1792 8.811 8.870 -0.059 1
1 295 . 20 1 1 A 29 29 SER HA H 1792 4.449 4.493 -0.044 1
1 298 . 20 1 1 A 29 29 SER CA C 1792 57.492 59.231 -1.739 1
1 299 . 20 1 1 A 29 29 SER CB C 1792 63.835 63.526 0.309 1
1 300 . 20 1 1 A 29 29 SER N N 1792 125.781 122.463 3.318 1
1 301 . 20 1 1 A 30 30 LEU H H 1793 7.851 7.364 0.487 1
1 302 . 20 1 1 A 30 30 LEU HA H 1793 4.507 4.443 0.064 1
1 312 . 20 1 1 A 30 30 LEU CA C 1793 53.558 53.115 0.443 1
1 313 . 20 1 1 A 30 30 LEU CB C 1793 42.270 43.267 -0.997 1
1 317 . 20 1 1 A 30 30 LEU N N 1793 125.656 123.891 1.765 1
1 318 . 20 1 1 A 31 31 PRO HA H 1794 4.363 4.244 0.119 1
1 325 . 20 1 1 A 31 31 PRO CA C 1794 64.787 64.823 -0.036 1
1 326 . 20 1 1 A 31 31 PRO CB C 1794 32.708 32.010 0.698 1
1 329 . 20 1 1 A 32 32 SER H H 1795 8.625 8.181 0.444 1
1 330 . 20 1 1 A 32 32 SER HA H 1795 4.309 4.184 0.125 1
1 332 . 20 1 1 A 32 32 SER CA C 1795 60.124 61.545 -1.421 1
1 333 . 20 1 1 A 32 32 SER CB C 1795 62.982 62.336 0.646 1
1 334 . 20 1 1 A 32 32 SER N N 1795 112.707 112.138 0.569 1
1 335 . 20 1 1 A 33 33 CYS H H 1796 6.679 8.042 -1.363 1
1 336 . 20 1 1 A 33 33 CYS HA H 1796 4.108 3.949 0.159 1
1 339 . 20 1 1 A 33 33 CYS CA C 1796 62.669 62.666 0.003 1
1 340 . 20 1 1 A 33 33 CYS CB C 1796 30.495 26.407 4.088 1
1 341 . 20 1 1 A 33 33 CYS N N 1796 126.200 119.825 6.375 1
1 342 . 20 1 1 A 34 34 GLN H H 1797 7.870 8.418 -0.548 1
1 343 . 20 1 1 A 34 34 GLN HA H 1797 3.867 3.913 -0.046 1
1 350 . 20 1 1 A 34 34 GLN CA C 1797 59.140 59.469 -0.329 1
1 351 . 20 1 1 A 34 34 GLN CB C 1797 31.360 28.266 3.094 1
1 353 . 20 1 1 A 34 34 GLN N N 1797 115.529 119.691 -4.162 1
1 355 . 20 1 1 A 35 35 LYS H H 1798 8.340 7.843 0.497 1
1 356 . 20 1 1 A 35 35 LYS HA H 1798 4.240 4.036 0.204 1
1 365 . 20 1 1 A 35 35 LYS CA C 1798 58.904 58.999 -0.095 1
1 366 . 20 1 1 A 35 35 LYS CB C 1798 32.686 31.900 0.786 1
1 370 . 20 1 1 A 35 35 LYS N N 1798 117.144 119.150 -2.006 1
1 371 . 20 1 1 A 36 36 MET H H 1799 8.163 8.295 -0.132 1
1 372 . 20 1 1 A 36 36 MET HA H 1799 4.369 4.066 0.303 1
1 380 . 20 1 1 A 36 36 MET CA C 1799 56.474 58.812 -2.338 1
1 381 . 20 1 1 A 36 36 MET CB C 1799 31.110 32.004 -0.894 1
1 384 . 20 1 1 A 36 36 MET N N 1799 117.485 119.335 -1.850 1
1 385 . 20 1 1 A 37 37 LYS H H 1800 9.337 8.243 1.094 1
1 386 . 20 1 1 A 37 37 LYS HA H 1800 3.840 3.974 -0.134 1
1 395 . 20 1 1 A 37 37 LYS CA C 1800 61.200 60.102 1.098 1
1 396 . 20 1 1 A 37 37 LYS CB C 1800 32.691 32.157 0.534 1
1 400 . 20 1 1 A 37 37 LYS N N 1800 120.830 118.756 2.074 1
1 401 . 20 1 1 A 38 38 ARG H H 1801 7.399 7.485 -0.086 1
1 402 . 20 1 1 A 38 38 ARG HA H 1801 4.490 4.041 0.449 1
1 409 . 20 1 1 A 38 38 ARG CA C 1801 59.263 59.439 -0.176 1
1 410 . 20 1 1 A 38 38 ARG CB C 1801 31.179 30.064 1.115 1
1 413 . 20 1 1 A 38 38 ARG N N 1801 118.965 119.521 -0.556 1
1 414 . 20 1 1 A 39 39 VAL H H 1802 8.420 7.341 1.079 1
1 415 . 20 1 1 A 39 39 VAL HA H 1802 3.239 3.804 -0.565 1
1 423 . 20 1 1 A 39 39 VAL CA C 1802 67.140 65.485 1.655 1
1 424 . 20 1 1 A 39 39 VAL CB C 1802 31.685 31.570 0.115 1
1 427 . 20 1 1 A 39 39 VAL N N 1802 123.140 115.747 7.393 1
1 428 . 20 1 1 A 40 40 VAL H H 1803 8.195 8.266 -0.071 1
1 429 . 20 1 1 A 40 40 VAL HA H 1803 3.403 3.584 -0.181 1
1 437 . 20 1 1 A 40 40 VAL CA C 1803 66.905 66.871 0.034 1
1 438 . 20 1 1 A 40 40 VAL CB C 1803 31.907 31.531 0.376 1
1 441 . 20 1 1 A 40 40 VAL N N 1803 118.716 120.876 -2.160 1
1 442 . 20 1 1 A 41 41 GLN H H 1804 8.310 8.208 0.102 1
1 443 . 20 1 1 A 41 41 GLN HA H 1804 3.916 4.077 -0.161 1
1 450 . 20 1 1 A 41 41 GLN CA C 1804 58.591 58.743 -0.152 1
1 451 . 20 1 1 A 41 41 GLN CB C 1804 28.561 28.502 0.059 1
1 453 . 20 1 1 A 41 41 GLN N N 1804 119.193 118.470 0.723 1
1 455 . 20 1 1 A 42 42 HIS H H 1805 8.152 7.936 0.216 1
1 456 . 20 1 1 A 42 42 HIS HA H 1805 4.222 4.341 -0.119 1
1 461 . 20 1 1 A 42 42 HIS CA C 1805 59.139 59.440 -0.301 1
1 462 . 20 1 1 A 42 42 HIS CB C 1805 27.201 30.307 -3.106 1
1 465 . 20 1 1 A 42 42 HIS N N 1805 118.579 121.743 -3.164 1
1 466 . 20 1 1 A 43 43 THR H H 1806 7.997 8.477 -0.480 1
1 467 . 20 1 1 A 43 43 THR HA H 1806 3.888 4.055 -0.167 1
1 473 . 20 1 1 A 43 43 THR CA C 1806 65.728 65.418 0.310 1
1 474 . 20 1 1 A 43 43 THR CB C 1806 69.023 69.050 -0.027 1
1 476 . 20 1 1 A 43 43 THR N N 1806 113.599 113.821 -0.222 1
1 477 . 20 1 1 A 44 44 LYS H H 1807 7.381 8.750 -1.369 1
1 478 . 20 1 1 A 44 44 LYS HA H 1807 4.190 4.227 -0.037 1
1 487 . 20 1 1 A 44 44 LYS CA C 1807 58.668 58.177 0.491 1
1 488 . 20 1 1 A 44 44 LYS CB C 1807 32.731 31.409 1.322 1
1 492 . 20 1 1 A 44 44 LYS N N 1807 120.270 119.580 0.690 1
1 493 . 20 1 1 A 45 45 GLY H H 1808 7.610 7.963 -0.353 1
1 494 . 20 1 1 A 45 45 GLY HA2 H 1808 3.610 4.064 -0.454 1
1 495 . 20 1 1 A 45 45 GLY HA3 H 1808 4.380 4.077 0.303 1
1 496 . 20 1 1 A 45 45 GLY CA C 1808 44.851 45.430 -0.579 1
1 497 . 20 1 1 A 45 45 GLY N N 1808 125.480 106.400 19.080 1
1 498 . 20 1 1 A 46 46 CYS H H 1809 6.898 7.523 -0.625 1
1 499 . 20 1 1 A 46 46 CYS HA H 1809 3.957 4.163 -0.206 1
1 502 . 20 1 1 A 46 46 CYS CA C 1809 60.551 59.403 1.148 1
1 503 . 20 1 1 A 46 46 CYS CB C 1809 30.260 28.837 1.423 1
1 504 . 20 1 1 A 46 46 CYS N N 1809 123.457 120.023 3.434 1
1 505 . 20 1 1 A 47 47 LYS HA H 1810 4.471 4.023 0.448 1
1 514 . 20 1 1 A 47 47 LYS CA C 1810 56.800 58.720 -1.920 1
1 515 . 20 1 1 A 47 47 LYS CB C 1810 33.840 32.573 1.267 1
1 518 . 20 1 1 A 48 48 ARG H H 1811 8.575 7.256 1.319 1
1 519 . 20 1 1 A 48 48 ARG HA H 1811 4.366 4.546 -0.180 1
1 526 . 20 1 1 A 48 48 ARG CA C 1811 57.256 56.233 1.023 1
1 527 . 20 1 1 A 48 48 ARG CB C 1811 32.143 32.662 -0.519 1
1 530 . 20 1 1 A 48 48 ARG N N 1811 122.731 114.255 8.476 1
1 531 . 20 1 1 A 49 49 LYS H H 1812 8.663 7.783 0.880 1
1 532 . 20 1 1 A 49 49 LYS HA H 1812 4.521 4.229 0.292 1
1 539 . 20 1 1 A 49 49 LYS CA C 1812 57.256 58.406 -1.150 1
1 540 . 20 1 1 A 49 49 LYS CB C 1812 32.378 31.110 1.268 1
1 543 . 20 1 1 A 49 49 LYS N N 1812 118.409 116.399 2.010 1
1 544 . 20 1 1 A 50 50 THR HA H 1813 4.710 3.920 0.790 1
1 549 . 20 1 1 A 50 50 THR CA C 1813 63.846 65.869 -2.023 1
1 550 . 20 1 1 A 50 50 THR CB C 1813 68.317 68.409 -0.092 1
1 552 . 20 1 1 A 51 51 ASN HA H 1814 4.676 4.458 0.218 1
1 557 . 20 1 1 A 51 51 ASN CA C 1814 82.908 55.303 27.605 1
1 558 . 20 1 1 A 51 51 ASN CB C 1814 38.732 36.955 1.777 1
1 560 . 20 1 1 A 52 52 GLY H H 1815 7.879 7.623 0.256 1
1 561 . 20 1 1 A 52 52 GLY HA2 H 1815 4.300 3.970 0.330 1
1 562 . 20 1 1 A 52 52 GLY HA3 H 1815 3.831 3.973 -0.142 1
1 563 . 20 1 1 A 52 52 GLY CA C 1815 45.557 45.374 0.183 1
1 564 . 20 1 1 A 52 52 GLY N N 1815 129.890 106.923 22.967 1
1 565 . 20 1 1 A 53 53 GLY H H 1816 7.765 7.944 -0.179 1
1 566 . 20 1 1 A 53 53 GLY HA2 H 1816 3.885 3.939 -0.054 1
1 567 . 20 1 1 A 53 53 GLY HA3 H 1816 3.985 3.941 0.044 1
1 568 . 20 1 1 A 53 53 GLY CA C 1816 45.792 45.318 0.474 1
1 569 . 20 1 1 A 53 53 GLY N N 1816 128.949 107.794 21.155 1
1 570 . 20 1 1 A 54 54 CYS H H 1817 8.800 8.037 0.763 1
1 571 . 20 1 1 A 54 54 CYS HA H 1817 4.821 4.619 0.202 1
1 574 . 20 1 1 A 54 54 CYS CA C 1817 55.138 57.285 -2.147 1
1 575 . 20 1 1 A 54 54 CYS CB C 1817 30.966 28.684 2.282 1
1 576 . 20 1 1 A 54 54 CYS N N 1817 122.429 119.573 2.856 1
1 577 . 20 1 1 A 55 55 PRO HA H 1818 4.330 4.318 0.012 1
1 584 . 20 1 1 A 55 55 PRO CA C 1818 64.787 65.172 -0.385 1
1 585 . 20 1 1 A 55 55 PRO CB C 1818 32.613 32.148 0.465 1
1 588 . 20 1 1 A 56 56 VAL H H 1819 7.750 7.331 0.419 1
1 589 . 20 1 1 A 56 56 VAL HA H 1819 3.884 3.664 0.220 1
1 597 . 20 1 1 A 56 56 VAL CA C 1819 65.728 65.829 -0.101 1
1 598 . 20 1 1 A 56 56 VAL CB C 1819 32.849 31.311 1.538 1
1 601 . 20 1 1 A 56 56 VAL N N 1819 121.605 115.943 5.662 1
1 602 . 20 1 1 A 57 57 CYS H H 1820 8.884 8.077 0.807 1
1 603 . 20 1 1 A 57 57 CYS HA H 1820 4.106 3.905 0.201 1
1 606 . 20 1 1 A 57 57 CYS CA C 1820 65.728 63.634 2.094 1
1 607 . 20 1 1 A 57 57 CYS CB C 1820 30.250 27.008 3.242 1
1 608 . 20 1 1 A 57 57 CYS N N 1820 124.260 117.517 6.743 1
1 609 . 20 1 1 A 58 58 LYS H H 1821 8.133 8.058 0.075 1
1 610 . 20 1 1 A 58 58 LYS HA H 1821 3.942 3.829 0.113 1
1 619 . 20 1 1 A 58 58 LYS CA C 1821 59.610 59.607 0.003 1
1 620 . 20 1 1 A 58 58 LYS CB C 1821 32.849 32.188 0.661 1
1 624 . 20 1 1 A 58 58 LYS N N 1821 117.129 121.002 -3.873 1
1 625 . 20 1 1 A 59 59 GLN H H 1822 7.318 7.957 -0.639 1
1 626 . 20 1 1 A 59 59 GLN HA H 1822 4.357 3.929 0.428 1
1 632 . 20 1 1 A 59 59 GLN N N 1822 117.943 118.620 -0.677 1
1 633 . 20 1 1 A 60 60 LEU H H 1823 8.667 7.742 0.925 1
1 634 . 20 1 1 A 60 60 LEU HA H 1823 4.950 3.966 0.984 1
1 647 . 20 1 1 A 60 60 LEU N N 1823 120.670 121.665 -0.995 1
1 648 . 20 1 1 A 61 61 ILE H H 1824 8.780 8.202 0.578 1
1 649 . 20 1 1 A 61 61 ILE HA H 1824 3.614 3.536 0.078 1
1 659 . 20 1 1 A 61 61 ILE CA C 1824 64.787 65.261 -0.474 1
1 660 . 20 1 1 A 61 61 ILE CB C 1824 37.320 37.364 -0.044 1
1 664 . 20 1 1 A 61 61 ILE N N 1824 119.837 119.220 0.617 1
1 665 . 20 1 1 A 62 62 ALA H H 1825 7.675 8.261 -0.586 1
1 666 . 20 1 1 A 62 62 ALA HA H 1825 4.112 4.041 0.071 1
1 670 . 20 1 1 A 62 62 ALA CA C 1825 55.374 55.236 0.138 1
1 671 . 20 1 1 A 62 62 ALA CB C 1825 18.560 18.204 0.356 1
1 672 . 20 1 1 A 62 62 ALA N N 1825 122.779 122.206 0.573 1
1 673 . 20 1 1 A 63 63 LEU H H 1826 7.983 7.967 0.016 1
1 674 . 20 1 1 A 63 63 LEU HA H 1826 4.114 4.022 0.092 1
1 684 . 20 1 1 A 63 63 LEU CA C 1826 58.334 58.011 0.323 1
1 685 . 20 1 1 A 63 63 LEU CB C 1826 42.821 41.633 1.188 1
1 689 . 20 1 1 A 63 63 LEU N N 1826 118.291 119.830 -1.539 1
1 690 . 20 1 1 A 64 64 CYS H H 1827 8.663 8.291 0.372 1
1 691 . 20 1 1 A 64 64 CYS HA H 1827 4.350 4.238 0.112 1
1 694 . 20 1 1 A 64 64 CYS CA C 1827 64.800 62.781 2.019 1
1 695 . 20 1 1 A 64 64 CYS CB C 1827 26.495 26.525 -0.030 1
1 696 . 20 1 1 A 64 64 CYS N N 1827 118.409 116.349 2.060 1
1 697 . 20 1 1 A 65 65 CYS H H 1828 8.672 8.472 0.200 1
1 698 . 20 1 1 A 65 65 CYS HA H 1828 4.152 4.122 0.030 1
1 701 . 20 1 1 A 65 65 CYS CA C 1828 63.547 63.729 -0.182 1
1 702 . 20 1 1 A 65 65 CYS CB C 1828 26.495 27.675 -1.180 1
1 703 . 20 1 1 A 65 65 CYS N N 1828 118.996 119.301 -0.305 1
1 704 . 20 1 1 A 66 66 TYR H H 1829 7.837 8.352 -0.515 1
1 705 . 20 1 1 A 66 66 TYR HA H 1829 4.199 4.231 -0.032 1
1 712 . 20 1 1 A 66 66 TYR CA C 1829 61.220 61.841 -0.621 1
1 713 . 20 1 1 A 66 66 TYR CB C 1829 38.261 38.413 -0.152 1
1 716 . 20 1 1 A 66 66 TYR N N 1829 120.650 122.702 -2.052 1
1 717 . 20 1 1 A 67 67 HIS H H 1830 8.323 8.365 -0.042 1
1 718 . 20 1 1 A 67 67 HIS HA H 1830 4.341 4.408 -0.067 1
1 723 . 20 1 1 A 67 67 HIS CA C 1830 58.668 60.486 -1.818 1
1 724 . 20 1 1 A 67 67 HIS CB C 1830 27.907 30.008 -2.101 1
1 727 . 20 1 1 A 67 67 HIS N N 1830 117.149 119.613 -2.464 1
1 728 . 20 1 1 A 68 68 ALA H H 1831 8.693 8.607 0.086 1
1 729 . 20 1 1 A 68 68 ALA HA H 1831 4.250 4.025 0.225 1
1 733 . 20 1 1 A 68 68 ALA CA C 1831 55.205 55.353 -0.148 1
1 734 . 20 1 1 A 68 68 ALA CB C 1831 20.695 18.538 2.157 1
1 735 . 20 1 1 A 68 68 ALA N N 1831 121.519 120.864 0.655 1
1 736 . 20 1 1 A 69 69 LYS H H 1832 7.126 8.287 -1.161 1
1 737 . 20 1 1 A 69 69 LYS HA H 1832 3.737 4.087 -0.350 1
1 746 . 20 1 1 A 69 69 LYS CA C 1832 57.962 59.549 -1.587 1
1 747 . 20 1 1 A 69 69 LYS CB C 1832 32.613 31.636 0.977 1
1 751 . 20 1 1 A 69 69 LYS N N 1832 114.376 119.072 -4.696 1
1 752 . 20 1 1 A 70 70 HIS H H 1833 6.884 7.285 -0.401 1
1 753 . 20 1 1 A 70 70 HIS HA H 1833 4.711 4.422 0.289 1
1 758 . 20 1 1 A 70 70 HIS CA C 1833 54.970 57.653 -2.683 1
1 759 . 20 1 1 A 70 70 HIS CB C 1833 31.201 30.575 0.626 1
1 762 . 20 1 1 A 70 70 HIS N N 1833 113.369 114.504 -1.135 1
1 763 . 20 1 1 A 71 71 CYS H H 1834 6.969 7.374 -0.405 1
1 764 . 20 1 1 A 71 71 CYS HA H 1834 4.210 4.272 -0.062 1
1 767 . 20 1 1 A 71 71 CYS CA C 1834 60.800 59.447 1.353 1
1 768 . 20 1 1 A 71 71 CYS CB C 1834 30.250 28.605 1.645 1
1 769 . 20 1 1 A 71 71 CYS N N 1834 123.813 118.749 5.064 1
1 770 . 20 1 1 A 72 72 GLN H H 1835 9.101 8.542 0.559 1
1 771 . 20 1 1 A 72 72 GLN HA H 1835 4.646 4.726 -0.080 1
1 778 . 20 1 1 A 72 72 GLN CA C 1835 54.735 55.426 -0.691 1
1 779 . 20 1 1 A 72 72 GLN CB C 1835 29.319 30.651 -1.332 1
1 781 . 20 1 1 A 72 72 GLN N N 1835 128.430 122.183 6.247 1
1 783 . 20 1 1 A 73 73 GLU H H 1836 8.331 7.263 1.068 1
1 784 . 20 1 1 A 73 73 GLU HA H 1836 4.365 4.286 0.079 1
1 788 . 20 1 1 A 73 73 GLU CA C 1836 55.374 56.741 -1.367 1
1 789 . 20 1 1 A 73 73 GLU CB C 1836 30.731 31.151 -0.420 1
1 791 . 20 1 1 A 73 73 GLU N N 1836 123.251 121.787 1.464 1
1 792 . 20 1 1 A 74 74 ASN HA H 1837 4.512 4.466 0.046 1
1 797 . 20 1 1 A 74 74 ASN CA C 1837 54.970 55.510 -0.540 1
1 798 . 20 1 1 A 74 74 ASN CB C 1837 38.732 38.332 0.400 1
1 800 . 20 1 1 A 75 75 LYS H H 1838 8.779 7.982 0.797 1
1 801 . 20 1 1 A 75 75 LYS HA H 1838 4.424 4.552 -0.128 1
1 810 . 20 1 1 A 75 75 LYS CA C 1838 54.735 55.053 -0.318 1
1 811 . 20 1 1 A 75 75 LYS CB C 1838 30.966 32.913 -1.947 1
1 815 . 20 1 1 A 75 75 LYS N N 1838 121.350 116.314 5.036 1
1 816 . 20 1 1 A 76 76 CYS H H 1839 7.590 7.357 0.233 1
1 817 . 20 1 1 A 76 76 CYS HA H 1839 4.361 4.491 -0.130 1
1 820 . 20 1 1 A 76 76 CYS CA C 1839 57.256 57.674 -0.418 1
1 821 . 20 1 1 A 76 76 CYS CB C 1839 30.731 28.265 2.466 1
1 822 . 20 1 1 A 76 76 CYS N N 1839 124.209 121.015 3.194 1
1 823 . 20 1 1 A 77 77 PRO HA H 1840 4.651 4.397 0.254 1
1 830 . 20 1 1 A 77 77 PRO CA C 1840 62.669 64.221 -1.552 1
1 831 . 20 1 1 A 77 77 PRO CB C 1840 32.849 31.836 1.013 1
1 834 . 20 1 1 A 78 78 VAL H H 1841 8.962 7.811 1.151 1
1 835 . 20 1 1 A 78 78 VAL HA H 1841 4.199 4.163 0.036 1
1 843 . 20 1 1 A 78 78 VAL CA C 1841 61.257 60.663 0.594 1
1 844 . 20 1 1 A 78 78 VAL CB C 1841 31.672 31.958 -0.286 1
1 847 . 20 1 1 A 78 78 VAL N N 1841 128.606 119.709 8.897 1
1 848 . 20 1 1 A 79 79 PRO HA H 1842 3.936 4.230 -0.294 1
1 855 . 20 1 1 A 79 79 PRO CA C 1842 63.846 65.377 -1.531 1
1 856 . 20 1 1 A 79 79 PRO CB C 1842 30.731 31.351 -0.620 1
1 859 . 20 1 1 A 80 80 PHE HA H 1843 4.255 4.217 0.038 1
1 866 . 20 1 1 A 80 80 PHE CA C 1843 59.374 60.455 -1.081 1
1 867 . 20 1 1 A 80 80 PHE CB C 1843 37.791 37.886 -0.095 1
1 870 . 20 1 1 A 81 81 CYS H H 1844 7.660 8.347 -0.687 1
1 871 . 20 1 1 A 81 81 CYS HA H 1844 3.997 4.196 -0.199 1
1 874 . 20 1 1 A 81 81 CYS CA C 1844 64.552 62.500 2.052 1
1 875 . 20 1 1 A 81 81 CYS CB C 1844 30.495 27.273 3.222 1
1 876 . 20 1 1 A 81 81 CYS N N 1844 124.104 118.745 5.359 1
1 877 . 20 1 1 A 82 82 LEU H H 1845 8.170 8.351 -0.181 1
1 878 . 20 1 1 A 82 82 LEU HA H 1845 3.988 4.027 -0.039 1
1 888 . 20 1 1 A 82 82 LEU CA C 1845 57.962 58.125 -0.163 1
1 889 . 20 1 1 A 82 82 LEU CB C 1845 41.321 41.618 -0.297 1
1 893 . 20 1 1 A 82 82 LEU N N 1845 115.950 121.126 -5.176 1
1 894 . 20 1 1 A 83 83 ASN H H 1846 7.826 8.270 -0.444 1
1 895 . 20 1 1 A 83 83 ASN HA H 1846 4.447 4.439 0.008 1
1 900 . 20 1 1 A 83 83 ASN CA C 1846 56.800 56.934 -0.134 1
1 901 . 20 1 1 A 83 83 ASN CB C 1846 38.967 39.236 -0.269 1
1 902 . 20 1 1 A 83 83 ASN N N 1846 116.117 117.732 -1.615 1
1 904 . 20 1 1 A 84 84 ILE H H 1847 8.607 8.331 0.276 1
1 905 . 20 1 1 A 84 84 ILE HA H 1847 3.718 3.641 0.077 1
1 915 . 20 1 1 A 84 84 ILE CA C 1847 64.787 65.407 -0.620 1
1 916 . 20 1 1 A 84 84 ILE CB C 1847 38.497 37.837 0.660 1
1 920 . 20 1 1 A 84 84 ILE N N 1847 121.553 119.500 2.053 1
1 921 . 20 1 1 A 85 85 LYS H H 1848 8.855 8.210 0.645 1
1 922 . 20 1 1 A 85 85 LYS HA H 1848 3.859 3.946 -0.087 1
1 931 . 20 1 1 A 85 85 LYS CA C 1848 60.551 59.355 1.196 1
1 932 . 20 1 1 A 85 85 LYS CB C 1848 32.613 32.451 0.162 1
1 936 . 20 1 1 A 85 85 LYS N N 1848 119.992 118.730 1.262 1
1 937 . 20 1 1 A 86 86 HIS H H 1849 8.100 8.129 -0.029 1
1 938 . 20 1 1 A 86 86 HIS HA H 1849 4.411 4.271 0.140 1
1 943 . 20 1 1 A 86 86 HIS CA C 1849 58.433 60.180 -1.747 1
1 944 . 20 1 1 A 86 86 HIS CB C 1849 30.495 29.929 0.566 1
1 947 . 20 1 1 A 86 86 HIS N N 1849 117.237 119.697 -2.460 1
1 948 . 20 1 1 A 87 87 LYS H H 1850 7.685 8.296 -0.611 1
1 949 . 20 1 1 A 87 87 LYS HA H 1850 4.128 3.901 0.227 1
1 958 . 20 1 1 A 87 87 LYS CA C 1850 57.727 59.286 -1.559 1
1 959 . 20 1 1 A 87 87 LYS CB C 1850 32.378 32.652 -0.274 1
1 963 . 20 1 1 A 87 87 LYS N N 1850 119.118 118.137 0.981 1
1 964 . 20 1 1 A 88 88 LEU H H 1851 8.230 8.503 -0.273 1
1 965 . 20 1 1 A 88 88 LEU HA H 1851 4.174 3.964 0.210 1
1 975 . 20 1 1 A 88 88 LEU CA C 1851 56.800 57.758 -0.958 1
1 976 . 20 1 1 A 88 88 LEU CB C 1851 42.262 40.926 1.336 1
1 980 . 20 1 1 A 88 88 LEU N N 1851 119.305 119.934 -0.629 1
1 981 . 20 1 1 A 89 89 ARG H H 1852 7.765 7.617 0.148 1
1 982 . 20 1 1 A 89 89 ARG HA H 1852 4.245 4.052 0.193 1
1 989 . 20 1 1 A 89 89 ARG CA C 1852 56.550 58.548 -1.998 1
1 990 . 20 1 1 A 89 89 ARG CB C 1852 30.260 30.001 0.259 1
1 993 . 20 1 1 A 89 89 ARG N N 1852 118.302 119.262 -0.960 1
1 994 . 20 1 1 A 90 90 GLN H H 1853 7.851 7.887 -0.036 1
1 995 . 20 1 1 A 90 90 GLN HA H 1853 4.262 4.037 0.225 1
1 1002 . 20 1 1 A 90 90 GLN CA C 1853 55.609 57.111 -1.502 1
1 1003 . 20 1 1 A 90 90 GLN CB C 1853 29.554 27.207 2.347 1
1 1005 . 20 1 1 A 90 90 GLN N N 1853 119.450 117.593 1.857 1
1 1007 . 20 1 1 A 91 91 GLN H H 1854 8.710 8.004 0.706 1
1 1008 . 20 1 1 A 91 91 GLN HA H 1854 4.317 4.048 0.269 1
1 1015 . 20 1 1 A 91 91 GLN CA C 1854 55.609 58.457 -2.848 1
1 1016 . 20 1 1 A 91 91 GLN CB C 1854 29.554 28.557 0.997 1
1 1018 . 20 1 1 A 91 91 GLN N N 1854 120.675 117.835 2.840 1
1 1038 . 20 2 2 B 2 2 HIS HA H 51 4.636 4.423 0.213 1
1 1043 . 20 2 2 B 2 2 HIS CA C 51 55.844 58.055 -2.211 1
1 1044 . 20 2 2 B 2 2 HIS CB C 51 30.495 29.783 0.712 1
1 1047 . 20 2 2 B 3 3 MET H H 52 8.230 7.751 0.479 1
1 1048 . 20 2 2 B 3 3 MET HA H 52 4.430 4.844 -0.414 1
1 1053 . 20 2 2 B 3 3 MET CA C 52 54.903 53.874 1.029 1
1 1054 . 20 2 2 B 3 3 MET CB C 52 33.840 35.052 -1.212 1
1 1056 . 20 2 2 B 3 3 MET N N 52 121.881 114.037 7.844 1
1 1057 . 20 2 2 B 4 4 ALA H H 53 8.269 8.570 -0.301 1
1 1058 . 20 2 2 B 4 4 ALA HA H 53 4.586 4.413 0.173 1
1 1062 . 20 2 2 B 4 4 ALA CA C 53 51.255 50.739 0.516 1
1 1063 . 20 2 2 B 4 4 ALA CB C 53 18.796 18.085 0.711 1
1 1064 . 20 2 2 B 4 4 ALA N N 53 126.758 123.685 3.073 1
1 1065 . 20 2 2 B 5 5 PRO HA H 54 4.705 4.413 0.292 1
1 1072 . 20 2 2 B 5 5 PRO CA C 54 61.257 65.190 -3.933 1
1 1073 . 20 2 2 B 5 5 PRO CB C 54 30.966 31.910 -0.944 1
1 1076 . 20 2 2 B 6 6 GLU H H 55 8.468 7.563 0.905 1
1 1077 . 20 2 2 B 6 6 GLU HA H 55 4.150 4.654 -0.504 1
1 1082 . 20 2 2 B 6 6 GLU CA C 55 56.550 55.654 0.896 1
1 1083 . 20 2 2 B 6 6 GLU CB C 55 30.495 31.814 -1.319 1
1 1085 . 20 2 2 B 6 6 GLU N N 55 121.693 112.394 9.299 1
1 1086 . 20 2 2 B 7 7 ASP H H 56 8.574 8.750 -0.176 1
1 1087 . 20 2 2 B 7 7 ASP HA H 56 5.200 5.111 0.089 1
1 1090 . 20 2 2 B 7 7 ASP CA C 56 51.255 50.579 0.676 1
1 1091 . 20 2 2 B 7 7 ASP CB C 56 42.262 43.811 -1.549 1
1 1092 . 20 2 2 B 7 7 ASP N N 56 120.873 120.373 0.500 1
1 1093 . 20 2 2 B 8 8 PRO HA H 57 4.465 4.332 0.133 1
1 1100 . 20 2 2 B 8 8 PRO CA C 57 63.610 64.373 -0.763 1
1 1101 . 20 2 2 B 8 8 PRO CB C 57 32.378 31.951 0.427 1
1 1104 . 20 2 2 B 9 9 ASN H H 58 8.301 8.545 -0.244 1
1 1105 . 20 2 2 B 9 9 ASN HA H 58 4.809 4.565 0.244 1
1 1110 . 20 2 2 B 9 9 ASN CA C 58 53.558 54.800 -1.242 1
1 1111 . 20 2 2 B 9 9 ASN CB C 58 38.497 38.083 0.414 1
1 1112 . 20 2 2 B 9 9 ASN N N 58 117.190 115.997 1.193 1
1 1114 . 20 2 2 B 10 10 GLU H H 59 7.366 8.504 -1.138 1
1 1115 . 20 2 2 B 10 10 GLU HA H 59 3.641 3.990 -0.349 1
1 1120 . 20 2 2 B 10 10 GLU CA C 59 60.800 58.917 1.883 1
1 1121 . 20 2 2 B 10 10 GLU CB C 59 29.554 28.799 0.755 1
1 1123 . 20 2 2 B 10 10 GLU N N 59 122.354 118.344 4.010 1
1 1124 . 20 2 2 B 11 11 GLU H H 60 8.618 8.337 0.281 1
1 1125 . 20 2 2 B 11 11 GLU HA H 60 3.933 4.027 -0.094 1
1 1130 . 20 2 2 B 11 11 GLU CA C 60 59.139 59.416 -0.277 1
1 1131 . 20 2 2 B 11 11 GLU CB C 60 29.830 29.402 0.428 1
1 1133 . 20 2 2 B 11 11 GLU N N 60 120.391 120.307 0.084 1
1 1134 . 20 2 2 B 12 12 ALA H H 61 8.280 7.659 0.621 1
1 1135 . 20 2 2 B 12 12 ALA HA H 61 4.180 4.039 0.141 1
1 1139 . 20 2 2 B 12 12 ALA CA C 61 55.205 54.959 0.246 1
1 1140 . 20 2 2 B 12 12 ALA CB C 61 20.695 18.440 2.255 1
1 1141 . 20 2 2 B 12 12 ALA N N 61 122.378 122.085 0.293 1
1 1142 . 20 2 2 B 13 13 VAL H H 62 7.773 8.002 -0.229 1
1 1143 . 20 2 2 B 13 13 VAL HA H 62 3.974 3.186 0.788 1
1 1151 . 20 2 2 B 13 13 VAL CA C 62 66.199 66.844 -0.645 1
1 1152 . 20 2 2 B 13 13 VAL CB C 62 31.907 31.441 0.466 1
1 1155 . 20 2 2 B 13 13 VAL N N 62 116.653 118.307 -1.654 1
1 1156 . 20 2 2 B 14 14 SER H H 63 8.288 8.017 0.271 1
1 1157 . 20 2 2 B 14 14 SER HA H 63 4.620 3.997 0.623 1
1 1160 . 20 2 2 B 14 14 SER CA C 63 60.786 62.528 -1.742 1
1 1161 . 20 2 2 B 14 14 SER CB C 63 62.434 62.710 -0.276 1
1 1162 . 20 2 2 B 14 14 SER N N 63 115.328 114.771 0.557 1
1 1163 . 20 2 2 B 15 15 GLN H H 64 7.775 8.348 -0.573 1
1 1164 . 20 2 2 B 15 15 GLN HA H 64 4.190 4.124 0.066 1
1 1171 . 20 2 2 B 15 15 GLN CA C 64 57.492 58.140 -0.648 1
1 1172 . 20 2 2 B 15 15 GLN CB C 64 28.613 27.472 1.141 1
1 1174 . 20 2 2 B 15 15 GLN N N 64 119.350 118.552 0.798 1
1 1176 . 20 2 2 B 16 16 ILE H H 65 7.217 7.312 -0.095 1
1 1177 . 20 2 2 B 16 16 ILE HA H 65 3.788 3.962 -0.174 1
1 1186 . 20 2 2 B 16 16 ILE CA C 65 61.492 63.371 -1.879 1
1 1187 . 20 2 2 B 16 16 ILE CB C 65 37.320 39.295 -1.975 1
1 1191 . 20 2 2 B 16 16 ILE N N 65 117.427 119.490 -2.063 1
1 1192 . 20 2 2 B 17 17 PHE H H 66 8.370 7.630 0.740 1
1 1193 . 20 2 2 B 17 17 PHE HA H 66 4.407 4.955 -0.548 1
1 1200 . 20 2 2 B 17 17 PHE CA C 66 55.374 54.631 0.743 1
1 1201 . 20 2 2 B 17 17 PHE CB C 66 42.270 39.212 3.058 1
1 1205 . 20 2 2 B 17 17 PHE N N 66 117.389 115.785 1.604 1
1 1206 . 20 2 2 B 18 18 PRO HA H 67 4.784 4.726 0.058 1
1 1213 . 20 2 2 B 18 18 PRO CA C 67 62.669 62.465 0.204 1
1 1214 . 20 2 2 B 18 18 PRO CB C 67 32.378 33.336 -0.958 1
1 1217 . 20 2 2 B 19 19 ASP H H 68 9.127 8.742 0.385 1
1 1218 . 20 2 2 B 19 19 ASP HA H 68 4.261 4.334 -0.073 1
1 1221 . 20 2 2 B 19 19 ASP CA C 68 57.927 56.231 1.696 1
1 1222 . 20 2 2 B 19 19 ASP CB C 68 40.451 39.968 0.483 1
1 1223 . 20 2 2 B 19 19 ASP N N 68 123.618 121.757 1.861 1
1 1224 . 20 2 2 B 20 20 SER H H 69 8.624 7.688 0.936 1
1 1225 . 20 2 2 B 20 20 SER HA H 69 4.816 4.375 0.441 1
1 1226 . 20 2 2 B 20 20 SER N N 69 112.914 111.922 0.992 1
1 1227 . 20 2 2 B 21 21 VAL H H 70 7.380 7.721 -0.341 1
1 1228 . 20 2 2 B 21 21 VAL HA H 70 3.958 4.627 -0.669 1
1 1236 . 20 2 2 B 21 21 VAL CA C 70 64.316 58.887 5.429 1
1 1237 . 20 2 2 B 21 21 VAL CB C 70 32.378 35.508 -3.130 1
1 1240 . 20 2 2 B 21 21 VAL N N 70 123.280 117.036 6.244 1
1 1241 . 20 2 2 B 22 22 MET H H 71 7.638 8.710 -1.072 1
1 1242 . 20 2 2 B 22 22 MET HA H 71 4.266 4.561 -0.295 1
1 1248 . 20 2 2 B 22 22 MET CA C 71 55.844 54.066 1.778 1
1 1249 . 20 2 2 B 22 22 MET CB C 71 31.907 30.973 0.934 1
1 1251 . 20 2 2 B 22 22 MET N N 71 117.825 123.318 -5.493 1
1 1252 . 20 2 2 B 23 23 LEU H H 72 8.102 7.882 0.220 1
1 1253 . 20 2 2 B 23 23 LEU HA H 72 4.132 4.039 0.093 1
1 1263 . 20 2 2 B 23 23 LEU CA C 72 56.786 58.065 -1.279 1
1 1264 . 20 2 2 B 23 23 LEU CB C 72 42.270 41.845 0.425 1
1 1268 . 20 2 2 B 23 23 LEU N N 72 119.633 125.425 -5.792 1
1 1269 . 20 2 2 B 24 24 ALA H H 73 7.464 8.375 -0.911 1
1 1270 . 20 2 2 B 24 24 ALA HA H 73 4.197 4.204 -0.007 1
1 1274 . 20 2 2 B 24 24 ALA CA C 73 84.840 54.276 30.564 1
1 1275 . 20 2 2 B 24 24 ALA CB C 73 19.266 18.602 0.664 1
1 1276 . 20 2 2 B 24 24 ALA N N 73 120.682 120.625 0.057 1
1 1277 . 20 2 2 B 25 25 VAL H H 74 7.668 7.994 -0.326 1
1 1278 . 20 2 2 B 25 25 VAL HA H 74 4.258 3.857 0.401 1
1 1286 . 20 2 2 B 25 25 VAL CA C 74 62.434 64.222 -1.788 1
1 1287 . 20 2 2 B 25 25 VAL CB C 74 31.672 31.606 0.066 1
1 1290 . 20 2 2 B 25 25 VAL N N 74 112.530 117.160 -4.630 1
1 1291 . 20 2 2 B 26 26 GLN H H 75 7.806 8.115 -0.309 1
1 1292 . 20 2 2 B 26 26 GLN HA H 75 4.308 4.603 -0.295 1
1 1299 . 20 2 2 B 26 26 GLN CA C 75 56.786 55.999 0.787 1
1 1300 . 20 2 2 B 26 26 GLN CB C 75 29.554 31.057 -1.503 1
1 1302 . 20 2 2 B 26 26 GLN N N 75 121.794 115.666 6.128 1
1 1304 . 20 2 2 B 27 27 GLU H H 76 8.340 7.861 0.479 1
1 1305 . 20 2 2 B 27 27 GLU HA H 76 4.349 4.423 -0.074 1
1 1310 . 20 2 2 B 27 27 GLU CA C 76 56.315 55.527 0.788 1
1 1311 . 20 2 2 B 27 27 GLU CB C 76 30.495 30.958 -0.463 1
1 1313 . 20 2 2 B 27 27 GLU N N 76 120.410 120.303 0.107 1
1 1314 . 20 2 2 B 28 28 GLY H H 77 8.295 8.681 -0.386 1
1 1315 . 20 2 2 B 28 28 GLY HA2 H 77 3.938 4.340 -0.402 1
1 1316 . 20 2 2 B 28 28 GLY HA3 H 77 4.190 4.345 -0.155 1
1 1317 . 20 2 2 B 28 28 GLY CA C 77 45.792 44.609 1.183 1
1 1318 . 20 2 2 B 28 28 GLY N N 77 109.255 106.953 2.302 1
1 1319 . 20 2 2 B 29 29 ILE H H 78 7.889 8.730 -0.841 1
1 1320 . 20 2 2 B 29 29 ILE HA H 78 4.166 4.077 0.089 1
1 1330 . 20 2 2 B 29 29 ILE CA C 78 60.786 61.451 -0.665 1
1 1331 . 20 2 2 B 29 29 ILE CB C 78 39.203 37.512 1.691 1
1 1335 . 20 2 2 B 29 29 ILE N N 78 119.126 127.540 -8.414 1
1 1336 . 20 2 2 B 30 30 ASP H H 79 8.442 8.761 -0.319 1
1 1337 . 20 2 2 B 30 30 ASP HA H 79 4.577 4.680 -0.103 1
1 1340 . 20 2 2 B 30 30 ASP CA C 79 55.255 52.873 2.382 1
1 1341 . 20 2 2 B 30 30 ASP CB C 79 41.850 39.254 2.596 1
1 1342 . 20 2 2 B 30 30 ASP N N 79 123.665 128.199 -4.534 1
1 1343 . 20 2 2 B 31 31 LEU H H 80 8.141 7.927 0.214 1
1 1344 . 20 2 2 B 31 31 LEU HA H 80 4.292 4.079 0.213 1
1 1354 . 20 2 2 B 31 31 LEU CA C 80 55.205 57.515 -2.310 1
1 1355 . 20 2 2 B 31 31 LEU CB C 80 42.262 42.101 0.161 1
1 1359 . 20 2 2 B 31 31 LEU N N 80 122.359 126.710 -4.351 1
1 1360 . 20 2 2 B 32 32 LEU H H 81 8.840 8.058 0.782 1
1 1361 . 20 2 2 B 32 32 LEU HA H 81 4.256 4.247 0.009 1
1 1371 . 20 2 2 B 32 32 LEU CA C 81 54.903 57.544 -2.641 1
1 1372 . 20 2 2 B 32 32 LEU CB C 81 42.497 41.334 1.163 1
1 1376 . 20 2 2 B 32 32 LEU N N 81 120.762 118.622 2.140 1
1 1377 . 20 2 2 B 33 33 THR H H 82 7.728 7.958 -0.230 1
1 1378 . 20 2 2 B 33 33 THR HA H 82 4.226 4.144 0.082 1
1 1383 . 20 2 2 B 33 33 THR CA C 82 61.220 64.108 -2.888 1
1 1384 . 20 2 2 B 33 33 THR CB C 82 69.494 68.686 0.808 1
1 1386 . 20 2 2 B 33 33 THR N N 82 113.606 113.392 0.214 1
1 1387 . 20 2 2 B 34 34 PHE H H 83 8.181 7.600 0.581 1
1 1388 . 20 2 2 B 34 34 PHE HA H 83 4.825 4.558 0.267 1
1 1395 . 20 2 2 B 34 34 PHE CA C 83 55.138 56.184 -1.046 1
1 1396 . 20 2 2 B 34 34 PHE CB C 83 39.203 38.777 0.426 1
1 1399 . 20 2 2 B 34 34 PHE N N 83 123.600 118.520 5.080 1
1 1400 . 20 2 2 B 35 35 PRO HA H 84 4.765 4.482 0.283 1
1 1407 . 20 2 2 B 35 35 PRO CA C 84 62.900 62.256 0.644 1
1 1408 . 20 2 2 B 35 35 PRO CB C 84 32.538 31.954 0.584 1
1 1411 . 20 2 2 B 36 36 PRO HA H 85 4.422 4.503 -0.081 1
1 1418 . 20 2 2 B 36 36 PRO CA C 85 62.434 62.300 0.134 1
1 1419 . 20 2 2 B 36 36 PRO CB C 85 32.143 32.941 -0.798 1
1 1422 . 20 2 2 B 37 37 ALA H H 86 8.370 8.476 -0.106 1
1 1423 . 20 2 2 B 37 37 ALA HA H 86 4.429 4.831 -0.402 1
1 1427 . 20 2 2 B 37 37 ALA CA C 86 50.263 49.581 0.682 1
1 1428 . 20 2 2 B 37 37 ALA CB C 86 19.972 19.269 0.703 1
1 1429 . 20 2 2 B 37 37 ALA N N 86 125.277 123.041 2.236 1
1 1430 . 20 2 2 B 38 38 PRO HA H 87 4.388 4.424 -0.036 1
1 1437 . 20 2 2 B 38 38 PRO CA C 87 63.140 63.910 -0.770 1
1 1438 . 20 2 2 B 38 38 PRO CB C 87 32.143 31.807 0.336 1
1 1441 . 20 2 2 B 39 39 GLY H H 88 8.503 8.445 0.058 1
1 1442 . 20 2 2 B 39 39 GLY HA2 H 88 3.895 3.951 -0.056 1
1 1443 . 20 2 2 B 39 39 GLY HA3 H 88 3.981 3.952 0.029 1
1 1444 . 20 2 2 B 39 39 GLY CA C 88 74.671 45.217 29.454 1
1 1445 . 20 2 2 B 39 39 GLY N N 88 109.831 106.839 2.992 1
1 1446 . 20 2 2 B 40 40 SER H H 89 8.800 7.366 1.434 1
1 1447 . 20 2 2 B 40 40 SER HA H 89 4.748 4.533 0.215 1
1 1450 . 20 2 2 B 40 40 SER CA C 89 56.800 56.643 0.157 1
1 1451 . 20 2 2 B 40 40 SER CB C 89 63.140 63.408 -0.268 1
1 1452 . 20 2 2 B 40 40 SER N N 89 116.937 115.762 1.175 1
1 1453 . 20 2 2 B 41 41 PRO HA H 90 4.441 4.287 0.154 1
1 1460 . 20 2 2 B 41 41 PRO CA C 90 63.140 65.511 -2.371 1
1 1461 . 20 2 2 B 41 41 PRO CB C 90 32.143 32.126 0.017 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 86 3.120 1
3 1 1 1 "RMS(OBS, PRED)" CB 81 1.322 1
4 1 1 1 "RMS(OBS, PRED)" H 79 0.585 1
5 1 1 1 "RMS(OBS, PRED)" HA 93 0.262 1
6 1 1 1 "RMS(OBS, PRED)" N 79 5.177 1
7 1 1 2 "RMS(OBS, PRED)" C 0 0.000 1
8 1 1 2 "RMS(OBS, PRED)" CA 39 7.019 1
9 1 1 2 "RMS(OBS, PRED)" CB 37 1.299 1
10 1 1 2 "RMS(OBS, PRED)" H 32 0.597 1
11 1 1 2 "RMS(OBS, PRED)" HA 42 0.304 1
12 1 1 2 "RMS(OBS, PRED)" N 32 4.126 1
13 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 2 1 "RMS(OBS, PRED)" CA 86 3.094 1
15 1 2 1 "RMS(OBS, PRED)" CB 81 1.293 1
16 1 2 1 "RMS(OBS, PRED)" H 79 0.620 1
17 1 2 1 "RMS(OBS, PRED)" HA 93 0.258 1
18 1 2 1 "RMS(OBS, PRED)" N 79 5.127 1
19 1 2 2 "RMS(OBS, PRED)" C 0 0.000 1
20 1 2 2 "RMS(OBS, PRED)" CA 39 6.925 1
21 1 2 2 "RMS(OBS, PRED)" CB 37 1.158 1
22 1 2 2 "RMS(OBS, PRED)" H 32 0.623 1
23 1 2 2 "RMS(OBS, PRED)" HA 42 0.306 1
24 1 2 2 "RMS(OBS, PRED)" N 32 3.564 1
25 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 3 1 "RMS(OBS, PRED)" CA 86 3.128 1
27 1 3 1 "RMS(OBS, PRED)" CB 81 1.308 1
28 1 3 1 "RMS(OBS, PRED)" H 79 0.614 1
29 1 3 1 "RMS(OBS, PRED)" HA 93 0.266 1
30 1 3 1 "RMS(OBS, PRED)" N 79 5.185 1
31 1 3 2 "RMS(OBS, PRED)" C 0 0.000 1
32 1 3 2 "RMS(OBS, PRED)" CA 39 6.928 1
33 1 3 2 "RMS(OBS, PRED)" CB 37 1.357 1
34 1 3 2 "RMS(OBS, PRED)" H 32 0.613 1
35 1 3 2 "RMS(OBS, PRED)" HA 42 0.302 1
36 1 3 2 "RMS(OBS, PRED)" N 32 3.831 1
37 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 4 1 "RMS(OBS, PRED)" CA 86 3.122 1
39 1 4 1 "RMS(OBS, PRED)" CB 81 1.302 1
40 1 4 1 "RMS(OBS, PRED)" H 79 0.574 1
41 1 4 1 "RMS(OBS, PRED)" HA 93 0.263 1
42 1 4 1 "RMS(OBS, PRED)" N 79 5.178 1
43 1 4 2 "RMS(OBS, PRED)" C 0 0.000 1
44 1 4 2 "RMS(OBS, PRED)" CA 39 6.873 1
45 1 4 2 "RMS(OBS, PRED)" CB 37 1.563 1
46 1 4 2 "RMS(OBS, PRED)" H 32 0.640 1
47 1 4 2 "RMS(OBS, PRED)" HA 42 0.345 1
48 1 4 2 "RMS(OBS, PRED)" N 32 3.542 1
49 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 5 1 "RMS(OBS, PRED)" CA 86 3.112 1
51 1 5 1 "RMS(OBS, PRED)" CB 81 1.309 1
52 1 5 1 "RMS(OBS, PRED)" H 79 0.587 1
53 1 5 1 "RMS(OBS, PRED)" HA 93 0.255 1
54 1 5 1 "RMS(OBS, PRED)" N 79 5.124 1
55 1 5 2 "RMS(OBS, PRED)" C 0 0.000 1
56 1 5 2 "RMS(OBS, PRED)" CA 39 7.029 1
57 1 5 2 "RMS(OBS, PRED)" CB 37 1.322 1
58 1 5 2 "RMS(OBS, PRED)" H 32 0.557 1
59 1 5 2 "RMS(OBS, PRED)" HA 42 0.308 1
60 1 5 2 "RMS(OBS, PRED)" N 32 3.316 1
61 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 6 1 "RMS(OBS, PRED)" CA 86 3.086 1
63 1 6 1 "RMS(OBS, PRED)" CB 81 1.301 1
64 1 6 1 "RMS(OBS, PRED)" H 79 0.640 1
65 1 6 1 "RMS(OBS, PRED)" HA 93 0.250 1
66 1 6 1 "RMS(OBS, PRED)" N 79 5.081 1
67 1 6 2 "RMS(OBS, PRED)" C 0 0.000 1
68 1 6 2 "RMS(OBS, PRED)" CA 39 7.246 1
69 1 6 2 "RMS(OBS, PRED)" CB 37 1.438 1
70 1 6 2 "RMS(OBS, PRED)" H 32 0.669 1
71 1 6 2 "RMS(OBS, PRED)" HA 42 0.324 1
72 1 6 2 "RMS(OBS, PRED)" N 32 3.774 1
73 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 7 1 "RMS(OBS, PRED)" CA 86 3.105 1
75 1 7 1 "RMS(OBS, PRED)" CB 81 1.292 1
76 1 7 1 "RMS(OBS, PRED)" H 79 0.587 1
77 1 7 1 "RMS(OBS, PRED)" HA 93 0.266 1
78 1 7 1 "RMS(OBS, PRED)" N 79 5.170 1
79 1 7 2 "RMS(OBS, PRED)" C 0 0.000 1
80 1 7 2 "RMS(OBS, PRED)" CA 39 6.980 1
81 1 7 2 "RMS(OBS, PRED)" CB 37 1.399 1
82 1 7 2 "RMS(OBS, PRED)" H 32 0.614 1
83 1 7 2 "RMS(OBS, PRED)" HA 42 0.323 1
84 1 7 2 "RMS(OBS, PRED)" N 32 3.333 1
85 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 8 1 "RMS(OBS, PRED)" CA 86 3.142 1
87 1 8 1 "RMS(OBS, PRED)" CB 81 1.345 1
88 1 8 1 "RMS(OBS, PRED)" H 79 0.587 1
89 1 8 1 "RMS(OBS, PRED)" HA 93 0.257 1
90 1 8 1 "RMS(OBS, PRED)" N 79 5.206 1
91 1 8 2 "RMS(OBS, PRED)" C 0 0.000 1
92 1 8 2 "RMS(OBS, PRED)" CA 39 7.031 1
93 1 8 2 "RMS(OBS, PRED)" CB 37 1.469 1
94 1 8 2 "RMS(OBS, PRED)" H 32 0.597 1
95 1 8 2 "RMS(OBS, PRED)" HA 42 0.357 1
96 1 8 2 "RMS(OBS, PRED)" N 32 3.791 1
97 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 9 1 "RMS(OBS, PRED)" CA 86 3.120 1
99 1 9 1 "RMS(OBS, PRED)" CB 81 1.300 1
100 1 9 1 "RMS(OBS, PRED)" H 79 0.578 1
101 1 9 1 "RMS(OBS, PRED)" HA 93 0.263 1
102 1 9 1 "RMS(OBS, PRED)" N 79 5.110 1
103 1 9 2 "RMS(OBS, PRED)" C 0 0.000 1
104 1 9 2 "RMS(OBS, PRED)" CA 39 7.138 1
105 1 9 2 "RMS(OBS, PRED)" CB 37 1.443 1
106 1 9 2 "RMS(OBS, PRED)" H 32 0.564 1
107 1 9 2 "RMS(OBS, PRED)" HA 42 0.357 1
108 1 9 2 "RMS(OBS, PRED)" N 32 3.182 1
109 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 10 1 "RMS(OBS, PRED)" CA 86 3.121 1
111 1 10 1 "RMS(OBS, PRED)" CB 81 1.312 1
112 1 10 1 "RMS(OBS, PRED)" H 79 0.582 1
113 1 10 1 "RMS(OBS, PRED)" HA 93 0.261 1
114 1 10 1 "RMS(OBS, PRED)" N 79 5.130 1
115 1 10 2 "RMS(OBS, PRED)" C 0 0.000 1
116 1 10 2 "RMS(OBS, PRED)" CA 39 7.097 1
117 1 10 2 "RMS(OBS, PRED)" CB 37 1.484 1
118 1 10 2 "RMS(OBS, PRED)" H 32 0.594 1
119 1 10 2 "RMS(OBS, PRED)" HA 42 0.292 1
120 1 10 2 "RMS(OBS, PRED)" N 32 4.370 1
121 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
122 1 11 1 "RMS(OBS, PRED)" CA 86 3.241 1
123 1 11 1 "RMS(OBS, PRED)" CB 81 1.348 1
124 1 11 1 "RMS(OBS, PRED)" H 79 0.622 1
125 1 11 1 "RMS(OBS, PRED)" HA 93 0.269 1
126 1 11 1 "RMS(OBS, PRED)" N 79 5.098 1
127 1 11 2 "RMS(OBS, PRED)" C 0 0.000 1
128 1 11 2 "RMS(OBS, PRED)" CA 39 6.877 1
129 1 11 2 "RMS(OBS, PRED)" CB 37 1.242 1
130 1 11 2 "RMS(OBS, PRED)" H 32 0.622 1
131 1 11 2 "RMS(OBS, PRED)" HA 42 0.321 1
132 1 11 2 "RMS(OBS, PRED)" N 32 3.908 1
133 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
134 1 12 1 "RMS(OBS, PRED)" CA 86 3.257 1
135 1 12 1 "RMS(OBS, PRED)" CB 81 1.321 1
136 1 12 1 "RMS(OBS, PRED)" H 79 0.586 1
137 1 12 1 "RMS(OBS, PRED)" HA 93 0.256 1
138 1 12 1 "RMS(OBS, PRED)" N 79 5.022 1
139 1 12 2 "RMS(OBS, PRED)" C 0 0.000 1
140 1 12 2 "RMS(OBS, PRED)" CA 39 6.965 1
141 1 12 2 "RMS(OBS, PRED)" CB 37 1.377 1
142 1 12 2 "RMS(OBS, PRED)" H 32 0.603 1
143 1 12 2 "RMS(OBS, PRED)" HA 42 0.354 1
144 1 12 2 "RMS(OBS, PRED)" N 32 3.443 1
145 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
146 1 13 1 "RMS(OBS, PRED)" CA 86 3.110 1
147 1 13 1 "RMS(OBS, PRED)" CB 81 1.334 1
148 1 13 1 "RMS(OBS, PRED)" H 79 0.604 1
149 1 13 1 "RMS(OBS, PRED)" HA 93 0.263 1
150 1 13 1 "RMS(OBS, PRED)" N 79 5.199 1
151 1 13 2 "RMS(OBS, PRED)" C 0 0.000 1
152 1 13 2 "RMS(OBS, PRED)" CA 39 6.951 1
153 1 13 2 "RMS(OBS, PRED)" CB 37 1.232 1
154 1 13 2 "RMS(OBS, PRED)" H 32 0.603 1
155 1 13 2 "RMS(OBS, PRED)" HA 42 0.323 1
156 1 13 2 "RMS(OBS, PRED)" N 32 3.607 1
157 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
158 1 14 1 "RMS(OBS, PRED)" CA 86 3.121 1
159 1 14 1 "RMS(OBS, PRED)" CB 81 1.314 1
160 1 14 1 "RMS(OBS, PRED)" H 79 0.583 1
161 1 14 1 "RMS(OBS, PRED)" HA 93 0.259 1
162 1 14 1 "RMS(OBS, PRED)" N 79 5.221 1
163 1 14 2 "RMS(OBS, PRED)" C 0 0.000 1
164 1 14 2 "RMS(OBS, PRED)" CA 39 6.912 1
165 1 14 2 "RMS(OBS, PRED)" CB 37 1.513 1
166 1 14 2 "RMS(OBS, PRED)" H 32 0.612 1
167 1 14 2 "RMS(OBS, PRED)" HA 42 0.350 1
168 1 14 2 "RMS(OBS, PRED)" N 32 3.714 1
169 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
170 1 15 1 "RMS(OBS, PRED)" CA 86 3.123 1
171 1 15 1 "RMS(OBS, PRED)" CB 81 1.339 1
172 1 15 1 "RMS(OBS, PRED)" H 79 0.617 1
173 1 15 1 "RMS(OBS, PRED)" HA 93 0.262 1
174 1 15 1 "RMS(OBS, PRED)" N 79 5.107 1
175 1 15 2 "RMS(OBS, PRED)" C 0 0.000 1
176 1 15 2 "RMS(OBS, PRED)" CA 39 6.996 1
177 1 15 2 "RMS(OBS, PRED)" CB 37 1.332 1
178 1 15 2 "RMS(OBS, PRED)" H 32 0.582 1
179 1 15 2 "RMS(OBS, PRED)" HA 42 0.287 1
180 1 15 2 "RMS(OBS, PRED)" N 32 3.605 1
181 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
182 1 16 1 "RMS(OBS, PRED)" CA 86 3.115 1
183 1 16 1 "RMS(OBS, PRED)" CB 81 1.318 1
184 1 16 1 "RMS(OBS, PRED)" H 79 0.607 1
185 1 16 1 "RMS(OBS, PRED)" HA 93 0.258 1
186 1 16 1 "RMS(OBS, PRED)" N 79 5.277 1
187 1 16 2 "RMS(OBS, PRED)" C 0 0.000 1
188 1 16 2 "RMS(OBS, PRED)" CA 39 7.071 1
189 1 16 2 "RMS(OBS, PRED)" CB 37 1.636 1
190 1 16 2 "RMS(OBS, PRED)" H 32 0.631 1
191 1 16 2 "RMS(OBS, PRED)" HA 42 0.322 1
192 1 16 2 "RMS(OBS, PRED)" N 32 3.650 1
193 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
194 1 17 1 "RMS(OBS, PRED)" CA 86 3.184 1
195 1 17 1 "RMS(OBS, PRED)" CB 81 1.321 1
196 1 17 1 "RMS(OBS, PRED)" H 79 0.606 1
197 1 17 1 "RMS(OBS, PRED)" HA 93 0.268 1
198 1 17 1 "RMS(OBS, PRED)" N 79 5.098 1
199 1 17 2 "RMS(OBS, PRED)" C 0 0.000 1
200 1 17 2 "RMS(OBS, PRED)" CA 39 7.116 1
201 1 17 2 "RMS(OBS, PRED)" CB 37 1.377 1
202 1 17 2 "RMS(OBS, PRED)" H 32 0.631 1
203 1 17 2 "RMS(OBS, PRED)" HA 42 0.325 1
204 1 17 2 "RMS(OBS, PRED)" N 32 3.977 1
205 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
206 1 18 1 "RMS(OBS, PRED)" CA 86 3.111 1
207 1 18 1 "RMS(OBS, PRED)" CB 81 1.295 1
208 1 18 1 "RMS(OBS, PRED)" H 79 0.607 1
209 1 18 1 "RMS(OBS, PRED)" HA 93 0.257 1
210 1 18 1 "RMS(OBS, PRED)" N 79 5.144 1
211 1 18 2 "RMS(OBS, PRED)" C 0 0.000 1
212 1 18 2 "RMS(OBS, PRED)" CA 39 7.046 1
213 1 18 2 "RMS(OBS, PRED)" CB 37 1.461 1
214 1 18 2 "RMS(OBS, PRED)" H 32 0.585 1
215 1 18 2 "RMS(OBS, PRED)" HA 42 0.317 1
216 1 18 2 "RMS(OBS, PRED)" N 32 3.300 1
217 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
218 1 19 1 "RMS(OBS, PRED)" CA 86 3.198 1
219 1 19 1 "RMS(OBS, PRED)" CB 81 1.330 1
220 1 19 1 "RMS(OBS, PRED)" H 79 0.586 1
221 1 19 1 "RMS(OBS, PRED)" HA 93 0.263 1
222 1 19 1 "RMS(OBS, PRED)" N 79 5.046 1
223 1 19 2 "RMS(OBS, PRED)" C 0 0.000 1
224 1 19 2 "RMS(OBS, PRED)" CA 39 6.965 1
225 1 19 2 "RMS(OBS, PRED)" CB 37 1.300 1
226 1 19 2 "RMS(OBS, PRED)" H 32 0.591 1
227 1 19 2 "RMS(OBS, PRED)" HA 42 0.306 1
228 1 19 2 "RMS(OBS, PRED)" N 32 3.715 1
229 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
230 1 20 1 "RMS(OBS, PRED)" CA 86 3.219 1
231 1 20 1 "RMS(OBS, PRED)" CB 81 1.342 1
232 1 20 1 "RMS(OBS, PRED)" H 79 0.588 1
233 1 20 1 "RMS(OBS, PRED)" HA 93 0.265 1
234 1 20 1 "RMS(OBS, PRED)" N 79 5.150 1
235 1 20 2 "RMS(OBS, PRED)" C 0 0.000 1
236 1 20 2 "RMS(OBS, PRED)" CA 39 7.101 1
237 1 20 2 "RMS(OBS, PRED)" CB 37 1.258 1
238 1 20 2 "RMS(OBS, PRED)" H 32 0.614 1
239 1 20 2 "RMS(OBS, PRED)" HA 42 0.305 1
240 1 20 2 "RMS(OBS, PRED)" N 32 4.069 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 40 . 1 1 A 5 5 SER H H 1768 8.291 8.202 0.089 2
1 46 . 1 1 A 5 5 SER N N 1768 116.360 116.448 -0.088 2
1 62 . 1 1 A 8 8 LEU H H 1771 8.120 8.351 -0.231 2
1 78 . 1 1 A 8 8 LEU N N 1771 120.237 120.451 -0.214 2
1 186 . 1 1 A 18 18 VAL H H 1781 8.540 8.134 0.406 2
1 199 . 1 1 A 18 18 VAL N N 1781 119.345 119.115 0.230 2
1 216 . 1 1 A 20 20 ALA CA C 1783 55.191 55.051 0.140 2
1 217 . 1 1 A 20 20 ALA CB C 1783 20.695 18.332 2.363 2
1 288 . 1 1 A 28 28 CYS HA H 1791 4.950 4.292 0.658 2
1 292 . 1 1 A 28 28 CYS CB C 1791 30.495 28.872 1.623 2
1 355 . 1 1 A 35 35 LYS H H 1798 8.340 7.834 0.506 2
1 370 . 1 1 A 35 35 LYS N N 1798 117.144 119.479 -2.335 2
1 371 . 1 1 A 36 36 MET H H 1799 8.163 8.265 -0.102 2
1 384 . 1 1 A 36 36 MET N N 1799 117.485 119.109 -1.624 2
1 401 . 1 1 A 38 38 ARG H H 1801 7.399 7.579 -0.180 2
1 413 . 1 1 A 38 38 ARG N N 1801 118.965 119.511 -0.546 2
1 415 . 1 1 A 39 39 VAL HA H 1802 3.239 3.753 -0.514 2
1 424 . 1 1 A 39 39 VAL CB C 1802 31.685 31.514 0.171 2
1 442 . 1 1 A 41 41 GLN H H 1804 8.310 8.200 0.110 2
1 453 . 1 1 A 41 41 GLN N N 1804 119.193 119.111 0.082 2
1 455 . 1 1 A 42 42 HIS H H 1805 8.152 7.917 0.235 2
1 456 . 1 1 A 42 42 HIS HA H 1805 4.222 4.332 -0.110 2
1 461 . 1 1 A 42 42 HIS CA C 1805 59.139 59.438 -0.299 2
1 462 . 1 1 A 42 42 HIS CB C 1805 27.201 30.295 -3.094 2
1 465 . 1 1 A 42 42 HIS N N 1805 118.579 121.806 -3.227 2
1 466 . 1 1 A 43 43 THR H H 1806 7.997 8.452 -0.455 2
1 467 . 1 1 A 43 43 THR HA H 1806 3.888 4.064 -0.176 2
1 473 . 1 1 A 43 43 THR CA C 1806 65.728 65.394 0.334 2
1 474 . 1 1 A 43 43 THR CB C 1806 69.023 68.979 0.044 2
1 476 . 1 1 A 43 43 THR N N 1806 113.599 113.788 -0.189 2
1 477 . 1 1 A 44 44 LYS H H 1807 7.381 8.659 -1.278 2
1 478 . 1 1 A 44 44 LYS HA H 1807 4.190 4.214 -0.024 2
1 487 . 1 1 A 44 44 LYS CA C 1807 58.668 58.234 0.434 2
1 488 . 1 1 A 44 44 LYS CB C 1807 32.731 31.420 1.311 2
1 492 . 1 1 A 44 44 LYS N N 1807 120.270 119.565 0.705 2
1 493 . 1 1 A 45 45 GLY H H 1808 7.610 7.893 -0.283 2
1 494 . 1 1 A 45 45 GLY HA2 H 1808 3.610 4.046 -0.436 2
1 495 . 1 1 A 45 45 GLY HA3 H 1808 4.380 4.063 0.317 2
1 496 . 1 1 A 45 45 GLY CA C 1808 44.851 45.313 -0.462 2
1 497 . 1 1 A 45 45 GLY N N 1808 125.480 106.637 18.843 2
1 498 . 1 1 A 46 46 CYS H H 1809 6.898 7.557 -0.659 2
1 499 . 1 1 A 46 46 CYS HA H 1809 3.957 4.196 -0.239 2
1 502 . 1 1 A 46 46 CYS CA C 1809 60.551 59.446 1.105 2
1 503 . 1 1 A 46 46 CYS CB C 1809 30.260 28.731 1.529 2
1 504 . 1 1 A 46 46 CYS N N 1809 123.457 120.038 3.419 2
1 505 . 1 1 A 47 47 LYS HA H 1810 4.471 4.228 0.243 2
1 514 . 1 1 A 47 47 LYS CA C 1810 56.800 57.949 -1.149 2
1 515 . 1 1 A 47 47 LYS CB C 1810 33.840 32.498 1.342 2
1 518 . 1 1 A 48 48 ARG H H 1811 8.575 7.412 1.163 2
1 519 . 1 1 A 48 48 ARG HA H 1811 4.366 4.489 -0.123 2
1 526 . 1 1 A 48 48 ARG CA C 1811 57.256 57.056 0.200 2
1 527 . 1 1 A 48 48 ARG CB C 1811 32.143 32.381 -0.238 2
1 530 . 1 1 A 48 48 ARG N N 1811 122.731 117.663 5.068 2
1 531 . 1 1 A 49 49 LYS H H 1812 8.663 7.823 0.840 2
1 532 . 1 1 A 49 49 LYS HA H 1812 4.521 4.270 0.251 2
1 539 . 1 1 A 49 49 LYS CA C 1812 57.256 57.806 -0.550 2
1 540 . 1 1 A 49 49 LYS CB C 1812 32.378 31.963 0.415 2
1 543 . 1 1 A 49 49 LYS N N 1812 118.409 118.697 -0.288 2
1 544 . 1 1 A 50 50 THR HA H 1813 4.710 3.942 0.768 2
1 549 . 1 1 A 50 50 THR CA C 1813 63.846 65.742 -1.896 2
1 550 . 1 1 A 50 50 THR CB C 1813 68.317 68.301 0.016 2
1 552 . 1 1 A 51 51 ASN HA H 1814 4.676 4.386 0.290 2
1 557 . 1 1 A 51 51 ASN CA C 1814 82.908 56.094 26.814 2
1 558 . 1 1 A 51 51 ASN CB C 1814 38.732 38.169 0.563 2
1 560 . 1 1 A 52 52 GLY H H 1815 7.879 7.695 0.184 2
1 561 . 1 1 A 52 52 GLY HA2 H 1815 4.300 3.951 0.349 2
1 562 . 1 1 A 52 52 GLY HA3 H 1815 3.831 3.954 -0.123 2
1 563 . 1 1 A 52 52 GLY CA C 1815 45.557 45.332 0.225 2
1 564 . 1 1 A 52 52 GLY N N 1815 129.890 106.113 23.777 2
1 565 . 1 1 A 53 53 GLY H H 1816 7.765 7.689 0.076 2
1 566 . 1 1 A 53 53 GLY HA2 H 1816 3.885 3.963 -0.078 2
1 567 . 1 1 A 53 53 GLY HA3 H 1816 3.985 3.966 0.019 2
1 568 . 1 1 A 53 53 GLY CA C 1816 45.792 45.407 0.385 2
1 569 . 1 1 A 53 53 GLY N N 1816 128.949 107.749 21.200 2
1 570 . 1 1 A 54 54 CYS H H 1817 8.800 8.041 0.759 2
1 571 . 1 1 A 54 54 CYS HA H 1817 4.821 4.586 0.235 2
1 574 . 1 1 A 54 54 CYS CA C 1817 55.138 57.429 -2.291 2
1 575 . 1 1 A 54 54 CYS CB C 1817 30.966 28.871 2.095 2
1 576 . 1 1 A 54 54 CYS N N 1817 122.429 119.405 3.024 2
1 577 . 1 1 A 55 55 PRO HA H 1818 4.330 4.316 0.014 2
1 584 . 1 1 A 55 55 PRO CA C 1818 64.787 65.385 -0.598 2
1 585 . 1 1 A 55 55 PRO CB C 1818 32.613 31.900 0.713 2
1 588 . 1 1 A 56 56 VAL H H 1819 7.750 7.397 0.353 2
1 589 . 1 1 A 56 56 VAL HA H 1819 3.884 3.571 0.313 2
1 597 . 1 1 A 56 56 VAL CA C 1819 65.728 66.150 -0.422 2
1 598 . 1 1 A 56 56 VAL CB C 1819 32.849 31.177 1.672 2
1 601 . 1 1 A 56 56 VAL N N 1819 121.605 115.563 6.042 2
1 602 . 1 1 A 57 57 CYS H H 1820 8.884 8.085 0.799 2
1 603 . 1 1 A 57 57 CYS HA H 1820 4.106 3.904 0.202 2
1 606 . 1 1 A 57 57 CYS CA C 1820 65.728 63.780 1.948 2
1 607 . 1 1 A 57 57 CYS CB C 1820 30.250 27.050 3.200 2
1 608 . 1 1 A 57 57 CYS N N 1820 124.260 117.640 6.620 2
1 609 . 1 1 A 58 58 LYS H H 1821 8.133 7.946 0.187 2
1 610 . 1 1 A 58 58 LYS HA H 1821 3.942 3.851 0.091 2
1 619 . 1 1 A 58 58 LYS CA C 1821 59.610 59.721 -0.111 2
1 620 . 1 1 A 58 58 LYS CB C 1821 32.849 32.324 0.525 2
1 624 . 1 1 A 58 58 LYS N N 1821 117.129 120.719 -3.590 2
1 625 . 1 1 A 59 59 GLN H H 1822 7.318 7.831 -0.513 2
1 626 . 1 1 A 59 59 GLN HA H 1822 4.357 3.981 0.376 2
1 632 . 1 1 A 59 59 GLN N N 1822 117.943 118.737 -0.794 2
1 633 . 1 1 A 60 60 LEU H H 1823 8.667 7.672 0.995 2
1 634 . 1 1 A 60 60 LEU HA H 1823 4.950 3.990 0.960 2
1 647 . 1 1 A 60 60 LEU N N 1823 120.670 120.901 -0.231 2
1 648 . 1 1 A 61 61 ILE H H 1824 8.780 8.227 0.553 2
1 649 . 1 1 A 61 61 ILE HA H 1824 3.614 3.563 0.051 2
1 659 . 1 1 A 61 61 ILE CA C 1824 64.787 65.375 -0.588 2
1 660 . 1 1 A 61 61 ILE CB C 1824 37.320 37.169 0.151 2
1 664 . 1 1 A 61 61 ILE N N 1824 119.837 119.151 0.686 2
1 665 . 1 1 A 62 62 ALA H H 1825 7.675 8.341 -0.666 2
1 666 . 1 1 A 62 62 ALA HA H 1825 4.112 4.065 0.047 2
1 670 . 1 1 A 62 62 ALA CA C 1825 55.374 55.283 0.091 2
1 671 . 1 1 A 62 62 ALA CB C 1825 18.560 18.183 0.377 2
1 672 . 1 1 A 62 62 ALA N N 1825 122.779 122.423 0.356 2
1 673 . 1 1 A 63 63 LEU H H 1826 7.983 7.810 0.173 2
1 674 . 1 1 A 63 63 LEU HA H 1826 4.114 4.048 0.066 2
1 684 . 1 1 A 63 63 LEU CA C 1826 58.334 58.008 0.326 2
1 685 . 1 1 A 63 63 LEU CB C 1826 42.821 41.366 1.455 2
1 689 . 1 1 A 63 63 LEU N N 1826 118.291 118.190 0.101 2
1 690 . 1 1 A 64 64 CYS H H 1827 8.663 8.269 0.394 2
1 691 . 1 1 A 64 64 CYS HA H 1827 4.350 4.209 0.141 2
1 694 . 1 1 A 64 64 CYS CA C 1827 64.800 62.770 2.030 2
1 695 . 1 1 A 64 64 CYS CB C 1827 26.495 26.203 0.292 2
1 696 . 1 1 A 64 64 CYS N N 1827 118.409 117.584 0.825 2
1 697 . 1 1 A 65 65 CYS H H 1828 8.672 8.521 0.151 2
1 698 . 1 1 A 65 65 CYS HA H 1828 4.152 4.091 0.061 2
1 701 . 1 1 A 65 65 CYS CA C 1828 63.547 63.352 0.195 2
1 702 . 1 1 A 65 65 CYS CB C 1828 26.495 26.765 -0.270 2
1 703 . 1 1 A 65 65 CYS N N 1828 118.996 120.803 -1.807 2
1 704 . 1 1 A 66 66 TYR H H 1829 7.837 8.507 -0.670 2
1 705 . 1 1 A 66 66 TYR HA H 1829 4.199 4.230 -0.031 2
1 712 . 1 1 A 66 66 TYR CA C 1829 61.220 61.830 -0.610 2
1 713 . 1 1 A 66 66 TYR CB C 1829 38.261 38.537 -0.276 2
1 716 . 1 1 A 66 66 TYR N N 1829 120.650 122.383 -1.733 2
1 717 . 1 1 A 67 67 HIS H H 1830 8.323 8.438 -0.115 2
1 718 . 1 1 A 67 67 HIS HA H 1830 4.341 4.382 -0.041 2
1 723 . 1 1 A 67 67 HIS CA C 1830 58.668 60.400 -1.732 2
1 724 . 1 1 A 67 67 HIS CB C 1830 27.907 29.946 -2.039 2
1 727 . 1 1 A 67 67 HIS N N 1830 117.149 119.488 -2.339 2
1 728 . 1 1 A 68 68 ALA H H 1831 8.693 8.572 0.121 2
1 729 . 1 1 A 68 68 ALA HA H 1831 4.250 4.035 0.215 2
1 733 . 1 1 A 68 68 ALA CA C 1831 55.205 55.380 -0.175 2
1 734 . 1 1 A 68 68 ALA CB C 1831 20.695 18.501 2.194 2
1 735 . 1 1 A 68 68 ALA N N 1831 121.519 120.863 0.656 2
1 736 . 1 1 A 69 69 LYS H H 1832 7.126 8.160 -1.034 2
1 737 . 1 1 A 69 69 LYS HA H 1832 3.737 4.049 -0.312 2
1 746 . 1 1 A 69 69 LYS CA C 1832 57.962 59.494 -1.532 2
1 747 . 1 1 A 69 69 LYS CB C 1832 32.613 31.681 0.932 2
1 751 . 1 1 A 69 69 LYS N N 1832 114.376 119.008 -4.632 2
1 752 . 1 1 A 70 70 HIS H H 1833 6.884 7.363 -0.479 2
1 753 . 1 1 A 70 70 HIS HA H 1833 4.711 4.385 0.326 2
1 758 . 1 1 A 70 70 HIS CA C 1833 54.970 57.781 -2.811 2
1 759 . 1 1 A 70 70 HIS CB C 1833 31.201 30.818 0.383 2
1 762 . 1 1 A 70 70 HIS N N 1833 113.369 114.480 -1.111 2
1 763 . 1 1 A 71 71 CYS H H 1834 6.969 7.478 -0.509 2
1 764 . 1 1 A 71 71 CYS HA H 1834 4.210 4.248 -0.038 2
1 767 . 1 1 A 71 71 CYS CA C 1834 60.800 59.703 1.097 2
1 768 . 1 1 A 71 71 CYS CB C 1834 30.250 28.305 1.945 2
1 769 . 1 1 A 71 71 CYS N N 1834 123.813 118.185 5.628 2
1 770 . 1 1 A 72 72 GLN H H 1835 9.101 8.637 0.464 2
1 771 . 1 1 A 72 72 GLN HA H 1835 4.646 4.671 -0.025 2
1 778 . 1 1 A 72 72 GLN CA C 1835 54.735 55.472 -0.737 2
1 779 . 1 1 A 72 72 GLN CB C 1835 29.319 30.453 -1.134 2
1 781 . 1 1 A 72 72 GLN N N 1835 128.430 122.480 5.951 2
1 783 . 1 1 A 73 73 GLU H H 1836 8.331 7.378 0.953 2
1 784 . 1 1 A 73 73 GLU HA H 1836 4.365 4.328 0.037 2
1 788 . 1 1 A 73 73 GLU CA C 1836 55.374 56.435 -1.061 2
1 789 . 1 1 A 73 73 GLU CB C 1836 30.731 30.783 -0.052 2
1 791 . 1 1 A 73 73 GLU N N 1836 123.251 122.230 1.021 2
1 792 . 1 1 A 74 74 ASN HA H 1837 4.512 4.473 0.039 2
1 797 . 1 1 A 74 74 ASN CA C 1837 54.970 55.335 -0.365 2
1 798 . 1 1 A 74 74 ASN CB C 1837 38.732 38.299 0.433 2
1 800 . 1 1 A 75 75 LYS H H 1838 8.779 7.877 0.902 2
1 801 . 1 1 A 75 75 LYS HA H 1838 4.424 4.600 -0.176 2
1 810 . 1 1 A 75 75 LYS CA C 1838 54.735 55.059 -0.324 2
1 811 . 1 1 A 75 75 LYS CB C 1838 30.966 33.017 -2.051 2
1 815 . 1 1 A 75 75 LYS N N 1838 121.350 116.011 5.339 2
1 816 . 1 1 A 76 76 CYS H H 1839 7.590 7.096 0.494 2
1 817 . 1 1 A 76 76 CYS HA H 1839 4.361 4.404 -0.043 2
1 820 . 1 1 A 76 76 CYS CA C 1839 57.256 57.664 -0.408 2
1 821 . 1 1 A 76 76 CYS CB C 1839 30.731 28.268 2.463 2
1 822 . 1 1 A 76 76 CYS N N 1839 124.209 121.332 2.877 2
1 823 . 1 1 A 77 77 PRO HA H 1840 4.651 4.381 0.270 2
1 830 . 1 1 A 77 77 PRO CA C 1840 62.669 64.332 -1.663 2
1 831 . 1 1 A 77 77 PRO CB C 1840 32.849 31.934 0.915 2
1 834 . 1 1 A 78 78 VAL H H 1841 8.962 7.735 1.227 2
1 835 . 1 1 A 78 78 VAL HA H 1841 4.199 4.171 0.028 2
1 843 . 1 1 A 78 78 VAL CA C 1841 61.257 60.938 0.319 2
1 844 . 1 1 A 78 78 VAL CB C 1841 31.672 32.058 -0.386 2
1 847 . 1 1 A 78 78 VAL N N 1841 128.606 119.590 9.016 2
1 848 . 1 1 A 79 79 PRO HA H 1842 3.936 4.199 -0.264 2
1 855 . 1 1 A 79 79 PRO CA C 1842 63.846 65.462 -1.616 2
1 856 . 1 1 A 79 79 PRO CB C 1842 30.731 31.485 -0.754 2
1 859 . 1 1 A 80 80 PHE HA H 1843 4.255 4.220 0.035 2
1 866 . 1 1 A 80 80 PHE CA C 1843 59.374 60.409 -1.035 2
1 867 . 1 1 A 80 80 PHE CB C 1843 37.791 37.996 -0.205 2
1 870 . 1 1 A 81 81 CYS H H 1844 7.660 8.320 -0.660 2
1 871 . 1 1 A 81 81 CYS HA H 1844 3.997 4.197 -0.200 2
1 874 . 1 1 A 81 81 CYS CA C 1844 64.552 62.554 1.998 2
1 875 . 1 1 A 81 81 CYS CB C 1844 30.495 27.087 3.408 2
1 876 . 1 1 A 81 81 CYS N N 1844 124.104 118.558 5.546 2
1 877 . 1 1 A 82 82 LEU H H 1845 8.170 8.333 -0.163 2
1 878 . 1 1 A 82 82 LEU HA H 1845 3.988 3.979 0.009 2
1 888 . 1 1 A 82 82 LEU CA C 1845 57.962 58.156 -0.194 2
1 889 . 1 1 A 82 82 LEU CB C 1845 41.321 41.421 -0.100 2
1 893 . 1 1 A 82 82 LEU N N 1845 115.950 120.999 -5.049 2
1 894 . 1 1 A 83 83 ASN H H 1846 7.826 8.282 -0.456 2
1 895 . 1 1 A 83 83 ASN HA H 1846 4.447 4.492 -0.045 2
1 900 . 1 1 A 83 83 ASN CA C 1846 56.800 56.830 -0.030 2
1 901 . 1 1 A 83 83 ASN CB C 1846 38.967 39.008 -0.040 2
1 902 . 1 1 A 83 83 ASN N N 1846 116.117 118.005 -1.888 2
1 904 . 1 1 A 84 84 ILE H H 1847 8.607 8.286 0.321 2
1 905 . 1 1 A 84 84 ILE HA H 1847 3.718 3.614 0.104 2
1 915 . 1 1 A 84 84 ILE CA C 1847 64.787 65.493 -0.706 2
1 916 . 1 1 A 84 84 ILE CB C 1847 38.497 37.894 0.603 2
1 920 . 1 1 A 84 84 ILE N N 1847 121.553 119.807 1.746 2
1 921 . 1 1 A 85 85 LYS H H 1848 8.855 8.171 0.684 2
1 922 . 1 1 A 85 85 LYS HA H 1848 3.859 3.946 -0.087 2
1 931 . 1 1 A 85 85 LYS CA C 1848 60.551 59.319 1.232 2
1 932 . 1 1 A 85 85 LYS CB C 1848 32.613 32.378 0.235 2
1 936 . 1 1 A 85 85 LYS N N 1848 119.992 118.897 1.095 2
1 937 . 1 1 A 86 86 HIS H H 1849 8.100 8.030 0.070 2
1 938 . 1 1 A 86 86 HIS HA H 1849 4.411 4.277 0.134 2
1 943 . 1 1 A 86 86 HIS CA C 1849 58.433 60.111 -1.678 2
1 944 . 1 1 A 86 86 HIS CB C 1849 30.495 29.749 0.746 2
1 947 . 1 1 A 86 86 HIS N N 1849 117.237 119.764 -2.527 2
1 948 . 1 1 A 87 87 LYS H H 1850 7.685 8.266 -0.581 2
1 949 . 1 1 A 87 87 LYS HA H 1850 4.128 3.894 0.234 2
1 958 . 1 1 A 87 87 LYS CA C 1850 57.727 59.295 -1.568 2
1 959 . 1 1 A 87 87 LYS CB C 1850 32.378 32.532 -0.154 2
1 963 . 1 1 A 87 87 LYS N N 1850 119.118 117.885 1.233 2
1 964 . 1 1 A 88 88 LEU H H 1851 8.230 8.531 -0.301 2
1 965 . 1 1 A 88 88 LEU HA H 1851 4.174 3.966 0.208 2
1 975 . 1 1 A 88 88 LEU CA C 1851 56.800 57.833 -1.033 2
1 976 . 1 1 A 88 88 LEU CB C 1851 42.262 41.473 0.789 2
1 980 . 1 1 A 88 88 LEU N N 1851 119.305 120.027 -0.722 2
1 981 . 1 1 A 89 89 ARG H H 1852 7.765 8.054 -0.289 2
1 982 . 1 1 A 89 89 ARG HA H 1852 4.245 4.093 0.152 2
1 989 . 1 1 A 89 89 ARG CA C 1852 56.550 58.755 -2.205 2
1 990 . 1 1 A 89 89 ARG CB C 1852 30.260 29.799 0.461 2
1 993 . 1 1 A 89 89 ARG N N 1852 118.302 118.849 -0.547 2
1 994 . 1 1 A 90 90 GLN H H 1853 7.851 7.829 0.022 2
1 995 . 1 1 A 90 90 GLN HA H 1853 4.262 4.094 0.168 2
1 1002 . 1 1 A 90 90 GLN CA C 1853 55.609 57.729 -2.120 2
1 1003 . 1 1 A 90 90 GLN CB C 1853 29.554 28.405 1.149 2
1 1005 . 1 1 A 90 90 GLN N N 1853 119.450 117.817 1.633 2
1 1007 . 1 1 A 91 91 GLN H H 1854 8.710 7.571 1.139 2
1 1008 . 1 1 A 91 91 GLN HA H 1854 4.317 4.218 0.099 2
1 1015 . 1 1 A 91 91 GLN CA C 1854 55.609 57.227 -1.618 2
1 1016 . 1 1 A 91 91 GLN CB C 1854 29.554 28.980 0.574 2
1 1018 . 1 1 A 91 91 GLN N N 1854 120.675 117.860 2.815 2
1 1038 . 2 2 B 2 2 HIS HA H 51 4.636 4.508 0.128 2
1 1043 . 2 2 B 2 2 HIS CA C 51 55.844 60.721 -4.877 2
1 1044 . 2 2 B 2 2 HIS CB C 51 30.495 31.283 -0.788 2
1 1047 . 2 2 B 3 3 MET H H 52 8.230 8.199 0.031 2
1 1048 . 2 2 B 3 3 MET HA H 52 4.430 4.350 0.080 2
1 1053 . 2 2 B 3 3 MET CA C 52 54.903 56.867 -1.964 2
1 1054 . 2 2 B 3 3 MET CB C 52 33.840 31.181 2.659 2
1 1056 . 2 2 B 3 3 MET N N 52 121.881 117.455 4.426 2
1 1057 . 2 2 B 4 4 ALA H H 53 8.269 8.170 0.099 2
1 1058 . 2 2 B 4 4 ALA HA H 53 4.586 4.298 0.288 2
1 1062 . 2 2 B 4 4 ALA CA C 53 51.255 55.026 -3.771 2
1 1063 . 2 2 B 4 4 ALA CB C 53 18.796 24.137 -5.341 2
1 1064 . 2 2 B 4 4 ALA N N 53 126.758 121.699 5.059 2
1 1065 . 2 2 B 5 5 PRO HA H 54 4.705 4.327 0.378 2
1 1072 . 2 2 B 5 5 PRO CA C 54 61.257 62.791 -1.534 2
1 1073 . 2 2 B 5 5 PRO CB C 54 30.966 47.509 -16.543 2
1 1076 . 2 2 B 6 6 GLU H H 55 8.468 7.905 0.563 2
1 1077 . 2 2 B 6 6 GLU HA H 55 4.150 4.434 -0.284 2
1 1082 . 2 2 B 6 6 GLU CA C 55 56.550 55.327 1.223 2
1 1083 . 2 2 B 6 6 GLU CB C 55 30.495 32.640 -2.145 2
1 1085 . 2 2 B 6 6 GLU N N 55 121.693 118.111 3.582 2
1 1086 . 2 2 B 7 7 ASP H H 56 8.574 8.243 0.331 2
1 1087 . 2 2 B 7 7 ASP HA H 56 5.200 4.511 0.689 2
1 1090 . 2 2 B 7 7 ASP CA C 56 51.255 51.013 0.242 2
1 1091 . 2 2 B 7 7 ASP CB C 56 42.262 43.501 -1.239 2
1 1092 . 2 2 B 7 7 ASP N N 56 120.873 119.920 0.953 2
1 1093 . 2 2 B 8 8 PRO HA H 57 4.465 4.205 0.260 2
1 1100 . 2 2 B 8 8 PRO CA C 57 63.610 61.202 2.408 2
1 1101 . 2 2 B 8 8 PRO CB C 57 32.378 36.767 -4.389 2
1 1104 . 2 2 B 9 9 ASN H H 58 8.301 8.217 0.084 2
1 1105 . 2 2 B 9 9 ASN HA H 58 4.809 4.302 0.507 2
1 1110 . 2 2 B 9 9 ASN CA C 58 53.558 58.539 -4.981 2
1 1111 . 2 2 B 9 9 ASN CB C 58 38.497 50.658 -12.161 2
1 1112 . 2 2 B 9 9 ASN N N 58 117.190 114.702 2.488 2
1 1114 . 2 2 B 10 10 GLU H H 59 7.366 8.157 -0.791 2
1 1115 . 2 2 B 10 10 GLU HA H 59 3.641 3.805 -0.164 2
1 1120 . 2 2 B 10 10 GLU CA C 59 60.800 61.974 -1.174 2
1 1121 . 2 2 B 10 10 GLU CB C 59 29.554 33.081 -3.527 2
1 1123 . 2 2 B 10 10 GLU N N 59 122.354 119.951 2.403 2
1 1124 . 2 2 B 11 11 GLU H H 60 8.618 8.196 0.422 2
1 1125 . 2 2 B 11 11 GLU HA H 60 3.933 4.040 -0.107 2
1 1130 . 2 2 B 11 11 GLU CA C 60 59.139 58.803 0.336 2
1 1131 . 2 2 B 11 11 GLU CB C 60 29.830 29.343 0.487 2
1 1133 . 2 2 B 11 11 GLU N N 60 120.391 120.014 0.377 2
1 1134 . 2 2 B 12 12 ALA H H 61 8.280 7.738 0.542 2
1 1135 . 2 2 B 12 12 ALA HA H 61 4.180 4.061 0.119 2
1 1139 . 2 2 B 12 12 ALA CA C 61 55.205 57.099 -1.894 2
1 1140 . 2 2 B 12 12 ALA CB C 61 20.695 18.335 2.360 2
1 1141 . 2 2 B 12 12 ALA N N 61 122.378 120.490 1.888 2
1 1142 . 2 2 B 13 13 VAL H H 62 7.773 7.616 0.157 2
1 1143 . 2 2 B 13 13 VAL HA H 62 3.974 3.720 0.254 2
1 1151 . 2 2 B 13 13 VAL CA C 62 66.199 64.419 1.780 2
1 1152 . 2 2 B 13 13 VAL CB C 62 31.907 29.354 2.553 2
1 1155 . 2 2 B 13 13 VAL N N 62 116.653 118.495 -1.842 2
1 1156 . 2 2 B 14 14 SER H H 63 8.288 8.128 0.160 2
1 1157 . 2 2 B 14 14 SER HA H 63 4.620 3.836 0.784 2
1 1160 . 2 2 B 14 14 SER CA C 63 60.786 63.515 -2.729 2
1 1161 . 2 2 B 14 14 SER CB C 63 62.434 50.076 12.358 2
1 1162 . 2 2 B 14 14 SER N N 63 115.328 118.072 -2.744 2
1 1163 . 2 2 B 15 15 GLN H H 64 7.775 8.127 -0.352 2
1 1164 . 2 2 B 15 15 GLN HA H 64 4.190 4.064 0.126 2
1 1171 . 2 2 B 15 15 GLN CA C 64 57.492 58.617 -1.125 2
1 1172 . 2 2 B 15 15 GLN CB C 64 28.613 28.039 0.574 2
1 1174 . 2 2 B 15 15 GLN N N 64 119.350 119.351 -0.001 2
1 1176 . 2 2 B 16 16 ILE H H 65 7.217 7.518 -0.301 2
1 1177 . 2 2 B 16 16 ILE HA H 65 3.788 4.030 -0.242 2
1 1186 . 2 2 B 16 16 ILE CA C 65 61.492 62.852 -1.360 2
1 1187 . 2 2 B 16 16 ILE CB C 65 37.320 50.954 -13.634 2
1 1191 . 2 2 B 16 16 ILE N N 65 117.427 117.778 -0.351 2
1 1192 . 2 2 B 17 17 PHE H H 66 8.370 7.877 0.493 2
1 1193 . 2 2 B 17 17 PHE HA H 66 4.407 4.491 -0.084 2
1 1200 . 2 2 B 17 17 PHE CA C 66 55.374 56.586 -1.212 2
1 1201 . 2 2 B 17 17 PHE CB C 66 42.270 40.837 1.433 2
1 1205 . 2 2 B 17 17 PHE N N 66 117.389 119.501 -2.112 2
1 1206 . 2 2 B 18 18 PRO HA H 67 4.784 4.136 0.648 2
1 1213 . 2 2 B 18 18 PRO CA C 67 62.669 64.618 -1.949 2
1 1214 . 2 2 B 18 18 PRO CB C 67 32.378 32.426 -0.048 2
1 1217 . 2 2 B 19 19 ASP H H 68 9.127 8.590 0.537 2
1 1218 . 2 2 B 19 19 ASP HA H 68 4.261 4.268 -0.007 2
1 1221 . 2 2 B 19 19 ASP CA C 68 57.927 58.339 -0.412 2
1 1222 . 2 2 B 19 19 ASP CB C 68 40.451 35.145 5.306 2
1 1223 . 2 2 B 19 19 ASP N N 68 123.618 120.867 2.751 2
1 1224 . 2 2 B 20 20 SER H H 69 8.624 8.188 0.436 2
1 1225 . 2 2 B 20 20 SER HA H 69 4.816 4.228 0.588 2
1 1226 . 2 2 B 20 20 SER N N 69 112.914 116.530 -3.616 2
1 1227 . 2 2 B 21 21 VAL H H 70 7.380 7.648 -0.268 2
1 1228 . 2 2 B 21 21 VAL HA H 70 3.958 4.500 -0.542 2
1 1236 . 2 2 B 21 21 VAL CA C 70 64.316 59.867 4.449 2
1 1237 . 2 2 B 21 21 VAL CB C 70 32.378 31.224 1.154 2
1 1240 . 2 2 B 21 21 VAL N N 70 123.280 116.046 7.234 2
1 1241 . 2 2 B 22 22 MET H H 71 7.638 8.384 -0.746 2
1 1242 . 2 2 B 22 22 MET HA H 71 4.266 4.505 -0.239 2
1 1248 . 2 2 B 22 22 MET CA C 71 55.844 54.783 1.061 2
1 1249 . 2 2 B 22 22 MET CB C 71 31.907 30.311 1.596 2
1 1251 . 2 2 B 22 22 MET N N 71 117.825 119.394 -1.569 2
1 1252 . 2 2 B 23 23 LEU H H 72 8.102 7.626 0.476 2
1 1253 . 2 2 B 23 23 LEU HA H 72 4.132 4.078 0.054 2
1 1263 . 2 2 B 23 23 LEU CA C 72 56.786 58.965 -2.179 2
1 1264 . 2 2 B 23 23 LEU CB C 72 42.270 35.227 7.043 2
1 1268 . 2 2 B 23 23 LEU N N 72 119.633 122.346 -2.713 2
1 1269 . 2 2 B 24 24 ALA H H 73 7.464 8.507 -1.043 2
1 1270 . 2 2 B 24 24 ALA HA H 73 4.197 4.171 0.026 2
1 1274 . 2 2 B 24 24 ALA CA C 73 84.840 56.208 28.632 2
1 1275 . 2 2 B 24 24 ALA CB C 73 19.266 24.328 -5.062 2
1 1276 . 2 2 B 24 24 ALA N N 73 120.682 123.856 -3.174 2
1 1277 . 2 2 B 25 25 VAL H H 74 7.668 7.832 -0.164 2
1 1278 . 2 2 B 25 25 VAL HA H 74 4.258 4.420 -0.162 2
1 1286 . 2 2 B 25 25 VAL CA C 74 62.434 58.110 4.324 2
1 1287 . 2 2 B 25 25 VAL CB C 74 31.672 35.965 -4.293 2
1 1290 . 2 2 B 25 25 VAL N N 74 112.530 117.562 -5.032 2
1 1291 . 2 2 B 26 26 GLN H H 75 7.806 8.583 -0.777 2
1 1292 . 2 2 B 26 26 GLN HA H 75 4.308 4.299 0.009 2
1 1299 . 2 2 B 26 26 GLN CA C 75 56.786 55.234 1.552 2
1 1300 . 2 2 B 26 26 GLN CB C 75 29.554 24.564 4.990 2
1 1302 . 2 2 B 26 26 GLN N N 75 121.794 122.694 -0.900 2
1 1304 . 2 2 B 27 27 GLU H H 76 8.340 7.774 0.566 2
1 1305 . 2 2 B 27 27 GLU HA H 76 4.349 4.693 -0.344 2
1 1310 . 2 2 B 27 27 GLU CA C 76 56.315 54.722 1.593 2
1 1311 . 2 2 B 27 27 GLU CB C 76 30.495 35.419 -4.924 2
1 1313 . 2 2 B 27 27 GLU N N 76 120.410 117.355 3.055 2
1 1314 . 2 2 B 28 28 GLY H H 77 8.295 7.977 0.318 2
1 1315 . 2 2 B 28 28 GLY HA2 H 77 3.938 4.258 -0.320 2
1 1316 . 2 2 B 28 28 GLY HA3 H 77 4.190 4.264 -0.074 2
1 1317 . 2 2 B 28 28 GLY CA C 77 45.792 52.492 -6.700 2
1 1318 . 2 2 B 28 28 GLY N N 77 109.255 115.708 -6.453 2
1 1319 . 2 2 B 29 29 ILE H H 78 7.889 8.811 -0.922 2
1 1320 . 2 2 B 29 29 ILE HA H 78 4.166 4.387 -0.221 2
1 1330 . 2 2 B 29 29 ILE CA C 78 60.786 60.423 0.363 2
1 1331 . 2 2 B 29 29 ILE CB C 78 39.203 51.151 -11.948 2
1 1335 . 2 2 B 29 29 ILE N N 78 119.126 123.075 -3.949 2
1 1336 . 2 2 B 30 30 ASP H H 79 8.442 8.113 0.329 2
1 1337 . 2 2 B 30 30 ASP HA H 79 4.577 4.562 0.015 2
1 1340 . 2 2 B 30 30 ASP CA C 79 55.255 53.432 1.823 2
1 1341 . 2 2 B 30 30 ASP CB C 79 41.850 41.336 0.514 2
1 1342 . 2 2 B 30 30 ASP N N 79 123.665 125.879 -2.214 2
1 1343 . 2 2 B 31 31 LEU H H 80 8.141 7.809 0.332 2
1 1344 . 2 2 B 31 31 LEU HA H 80 4.292 4.174 0.118 2
1 1354 . 2 2 B 31 31 LEU CA C 80 55.205 61.267 -6.062 2
1 1355 . 2 2 B 31 31 LEU CB C 80 42.262 36.899 5.363 2
1 1359 . 2 2 B 31 31 LEU N N 80 122.359 123.192 -0.833 2
1 1360 . 2 2 B 32 32 LEU H H 81 8.840 8.090 0.750 2
1 1361 . 2 2 B 32 32 LEU HA H 81 4.256 4.193 0.063 2
1 1371 . 2 2 B 32 32 LEU CA C 81 54.903 59.537 -4.634 2
1 1372 . 2 2 B 32 32 LEU CB C 81 42.497 52.092 -9.595 2
1 1376 . 2 2 B 32 32 LEU N N 81 120.762 115.634 5.128 2
1 1377 . 2 2 B 33 33 THR H H 82 7.728 7.955 -0.227 2
1 1378 . 2 2 B 33 33 THR HA H 82 4.226 4.064 0.163 2
1 1383 . 2 2 B 33 33 THR CA C 82 61.220 63.428 -2.208 2
1 1384 . 2 2 B 33 33 THR CB C 82 69.494 47.666 21.828 2
1 1386 . 2 2 B 33 33 THR N N 82 113.606 117.063 -3.457 2
1 1387 . 2 2 B 34 34 PHE H H 83 8.181 7.937 0.244 2
1 1388 . 2 2 B 34 34 PHE HA H 83 4.825 4.290 0.535 2
1 1395 . 2 2 B 34 34 PHE CA C 83 55.138 57.656 -2.518 2
1 1396 . 2 2 B 34 34 PHE CB C 83 39.203 33.560 5.643 2
1 1399 . 2 2 B 34 34 PHE N N 83 123.600 119.342 4.258 2
1 1400 . 2 2 B 35 35 PRO HA H 84 4.765 4.279 0.486 2
1 1407 . 2 2 B 35 35 PRO CA C 84 62.900 60.718 2.182 2
1 1408 . 2 2 B 35 35 PRO CB C 84 32.538 32.087 0.451 2
1 1411 . 2 2 B 36 36 PRO HA H 85 4.422 4.197 0.225 2
1 1418 . 2 2 B 36 36 PRO CA C 85 62.434 61.045 1.389 2
1 1419 . 2 2 B 36 36 PRO CB C 85 32.143 32.176 -0.033 2
1 1422 . 2 2 B 37 37 ALA H H 86 8.370 8.006 0.364 2
1 1423 . 2 2 B 37 37 ALA HA H 86 4.429 4.312 0.117 2
1 1427 . 2 2 B 37 37 ALA CA C 86 50.263 55.162 -4.899 2
1 1428 . 2 2 B 37 37 ALA CB C 86 19.972 26.172 -6.200 2
1 1429 . 2 2 B 37 37 ALA N N 86 125.277 119.953 5.324 2
1 1430 . 2 2 B 38 38 PRO HA H 87 4.388 4.271 0.117 2
1 1437 . 2 2 B 38 38 PRO CA C 87 63.140 61.615 1.525 2
1 1438 . 2 2 B 38 38 PRO CB C 87 32.143 30.962 1.181 2
1 1441 . 2 2 B 39 39 GLY H H 88 8.503 7.926 0.577 2
1 1442 . 2 2 B 39 39 GLY HA2 H 88 3.895 3.994 -0.099 2
1 1443 . 2 2 B 39 39 GLY HA3 H 88 3.981 3.997 -0.016 2
1 1444 . 2 2 B 39 39 GLY CA C 88 74.671 55.576 19.095 2
1 1445 . 2 2 B 39 39 GLY N N 88 109.831 111.801 -1.970 2
1 1446 . 2 2 B 40 40 SER H H 89 8.800 8.120 0.680 2
1 1447 . 2 2 B 40 40 SER HA H 89 4.748 4.116 0.632 2
1 1450 . 2 2 B 40 40 SER CA C 89 56.800 61.666 -4.866 2
1 1451 . 2 2 B 40 40 SER CB C 89 63.140 47.464 15.676 2
1 1452 . 2 2 B 40 40 SER N N 89 116.937 118.804 -1.867 2
1 1453 . 2 2 B 41 41 PRO HA H 90 4.441 4.268 0.173 2
1 1460 . 2 2 B 41 41 PRO CA C 90 63.140 61.537 1.603 2
1 1461 . 2 2 B 41 41 PRO CB C 90 32.143 30.303 1.840 2
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