data_15374_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15374
_Entry.PDB_ID 2QL0
_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 5 . 1 1 1 A 2 2 LYS HA H 2 4.325 5.052 -0.727 1
1 12 . 1 1 1 A 3 3 LYS H H 3 8.325 8.777 -0.452 1
1 13 . 1 1 1 A 3 3 LYS HA H 3 4.881 5.135 -0.254 1
1 22 . 1 1 1 A 3 3 LYS N N 3 121.705 126.283 -4.578 1
1 23 . 1 1 1 A 4 4 TYR H H 4 8.556 9.005 -0.449 1
1 24 . 1 1 1 A 4 4 TYR HA H 4 4.931 5.660 -0.729 1
1 31 . 1 1 1 A 4 4 TYR N N 4 120.748 119.101 1.647 1
1 32 . 1 1 1 A 5 5 VAL H H 5 9.498 8.889 0.609 1
1 33 . 1 1 1 A 5 5 VAL HA H 5 5.132 5.022 0.110 1
1 41 . 1 1 1 A 5 5 VAL N N 5 120.677 116.979 3.698 1
1 42 . 1 1 1 A 6 6 CYS H H 6 9.438 8.884 0.554 1
1 43 . 1 1 1 A 6 6 CYS HA H 6 2.742 3.998 -1.256 1
1 46 . 1 1 1 A 6 6 CYS N N 6 131.360 124.905 6.455 1
1 47 . 1 1 1 A 7 7 THR H H 7 8.289 8.574 -0.285 1
1 48 . 1 1 1 A 7 7 THR HA H 7 4.365 4.596 -0.231 1
1 53 . 1 1 1 A 7 7 THR N N 7 122.494 117.482 5.012 1
1 54 . 1 1 1 A 8 8 VAL H H 8 9.102 7.887 1.215 1
1 55 . 1 1 1 A 8 8 VAL HA H 8 3.934 4.159 -0.225 1
1 63 . 1 1 1 A 8 8 VAL N N 8 126.451 119.870 6.581 1
1 64 . 1 1 1 A 9 9 CYS H H 9 9.195 8.113 1.082 1
1 65 . 1 1 1 A 9 9 CYS HA H 9 4.980 4.535 0.445 1
1 68 . 1 1 1 A 9 9 CYS N N 9 121.274 115.442 5.832 1
1 69 . 1 1 1 A 10 10 GLY H H 10 7.821 8.150 -0.329 1
1 70 . 1 1 1 A 10 10 GLY HA2 H 10 3.663 4.010 -0.347 1
1 71 . 1 1 1 A 10 10 GLY HA3 H 10 4.251 4.026 0.225 1
1 72 . 1 1 1 A 10 10 GLY N N 10 113.067 110.049 3.018 1
1 73 . 1 1 1 A 11 11 TYR H H 11 9.393 7.612 1.781 1
1 74 . 1 1 1 A 11 11 TYR HA H 11 4.213 4.836 -0.623 1
1 81 . 1 1 1 A 11 11 TYR N N 11 128.218 121.474 6.744 1
1 82 . 1 1 1 A 12 12 GLU H H 12 7.456 8.872 -1.416 1
1 83 . 1 1 1 A 12 12 GLU HA H 12 4.887 5.000 -0.113 1
1 88 . 1 1 1 A 12 12 GLU N N 12 127.210 123.558 3.652 1
1 89 . 1 1 1 A 13 13 TYR H H 13 9.540 8.811 0.729 1
1 90 . 1 1 1 A 13 13 TYR HA H 13 4.445 5.201 -0.756 1
1 98 . 1 1 1 A 13 13 TYR N N 13 125.578 125.349 0.229 1
1 99 . 1 1 1 A 14 14 ASP H H 14 8.390 8.710 -0.320 1
1 100 . 1 1 1 A 14 14 ASP HA H 14 5.013 4.883 0.130 1
1 103 . 1 1 1 A 14 14 ASP N N 14 128.076 128.312 -0.236 1
1 104 . 1 1 1 A 15 15 PRO HA H 15 4.008 4.152 -0.144 1
1 111 . 1 1 1 A 16 16 ALA H H 16 7.897 8.312 -0.415 1
1 112 . 1 1 1 A 16 16 ALA HA H 16 3.910 4.012 -0.102 1
1 116 . 1 1 1 A 16 16 ALA N N 16 116.302 120.829 -4.527 1
1 117 . 1 1 1 A 17 17 GLU H H 17 7.388 8.111 -0.723 1
1 118 . 1 1 1 A 17 17 GLU HA H 17 4.354 4.412 -0.058 1
1 123 . 1 1 1 A 17 17 GLU N N 17 114.338 113.253 1.085 1
1 124 . 1 1 1 A 18 18 GLY H H 18 8.069 7.569 0.500 1
1 125 . 1 1 1 A 18 18 GLY HA2 H 18 3.963 4.033 -0.070 1
1 126 . 1 1 1 A 18 18 GLY HA3 H 18 3.510 4.072 -0.562 1
1 127 . 1 1 1 A 18 18 GLY N N 18 105.574 109.807 -4.233 1
1 128 . 1 1 1 A 19 19 ASP H H 19 8.141 8.609 -0.468 1
1 129 . 1 1 1 A 19 19 ASP HA H 19 5.198 5.476 -0.278 1
1 132 . 1 1 1 A 19 19 ASP N N 19 117.708 118.883 -1.175 1
1 133 . 1 1 1 A 20 20 PRO HA H 20 4.005 4.506 -0.501 1
1 140 . 1 1 1 A 21 21 ASP H H 21 9.391 8.523 0.868 1
1 141 . 1 1 1 A 21 21 ASP HA H 21 4.473 4.499 -0.026 1
1 144 . 1 1 1 A 21 21 ASP N N 21 120.881 117.701 3.180 1
1 145 . 1 1 1 A 22 22 ASN H H 22 7.663 7.935 -0.272 1
1 146 . 1 1 1 A 22 22 ASN HA H 22 5.078 4.843 0.235 1
1 151 . 1 1 1 A 22 22 ASN N N 22 114.971 115.428 -0.457 1
1 152 . 1 1 1 A 23 23 GLY H H 23 7.678 7.642 0.036 1
1 153 . 1 1 1 A 23 23 GLY HA2 H 23 4.165 4.096 0.069 1
1 154 . 1 1 1 A 23 23 GLY HA3 H 23 3.789 4.097 -0.308 1
1 155 . 1 1 1 A 23 23 GLY N N 23 105.605 105.552 0.053 1
1 156 . 1 1 1 A 24 24 VAL H H 24 7.556 7.619 -0.063 1
1 157 . 1 1 1 A 24 24 VAL HA H 24 4.167 3.868 0.299 1
1 165 . 1 1 1 A 24 24 VAL N N 24 122.396 122.496 -0.100 1
1 166 . 1 1 1 A 25 25 LYS H H 25 8.552 8.735 -0.183 1
1 167 . 1 1 1 A 25 25 LYS HA H 25 4.414 4.425 -0.011 1
1 174 . 1 1 1 A 25 25 LYS N N 25 128.930 126.031 2.899 1
1 175 . 1 1 1 A 26 26 PRO HA H 26 3.683 4.504 -0.821 1
1 180 . 1 1 1 A 27 27 GLY H H 27 8.708 8.232 0.476 1
1 181 . 1 1 1 A 27 27 GLY HA2 H 27 4.172 4.046 0.126 1
1 182 . 1 1 1 A 27 27 GLY HA3 H 27 3.419 4.047 -0.628 1
1 183 . 1 1 1 A 27 27 GLY N N 27 112.997 106.721 6.276 1
1 184 . 1 1 1 A 28 28 THR H H 28 7.133 7.465 -0.332 1
1 185 . 1 1 1 A 28 28 THR HA H 28 4.197 4.973 -0.776 1
1 191 . 1 1 1 A 28 28 THR N N 28 117.317 114.582 2.735 1
1 192 . 1 1 1 A 29 29 SER H H 29 9.543 8.934 0.609 1
1 193 . 1 1 1 A 29 29 SER HA H 29 3.951 4.882 -0.931 1
1 195 . 1 1 1 A 29 29 SER N N 29 127.007 122.743 4.264 1
1 196 . 1 1 1 A 30 30 PHE H H 30 9.546 9.185 0.361 1
1 197 . 1 1 1 A 30 30 PHE HA H 30 3.288 3.896 -0.608 1
1 205 . 1 1 1 A 30 30 PHE N N 30 124.800 122.349 2.451 1
1 206 . 1 1 1 A 31 31 ASP H H 31 7.915 8.323 -0.408 1
1 207 . 1 1 1 A 31 31 ASP HA H 31 4.005 4.437 -0.432 1
1 210 . 1 1 1 A 31 31 ASP N N 31 114.735 118.796 -4.061 1
1 211 . 1 1 1 A 32 32 ASP H H 32 7.330 7.834 -0.504 1
1 212 . 1 1 1 A 32 32 ASP HA H 32 4.524 4.572 -0.048 1
1 215 . 1 1 1 A 32 32 ASP N N 32 117.008 118.972 -1.964 1
1 216 . 1 1 1 A 33 33 LEU H H 33 6.802 7.495 -0.693 1
1 217 . 1 1 1 A 33 33 LEU HA H 33 3.773 4.072 -0.299 1
1 227 . 1 1 1 A 33 33 LEU N N 33 123.359 121.775 1.584 1
1 228 . 1 1 1 A 34 34 PRO HA H 34 4.277 4.500 -0.223 1
1 235 . 1 1 1 A 35 35 ALA H H 35 7.896 8.579 -0.683 1
1 236 . 1 1 1 A 35 35 ALA HA H 35 3.932 4.121 -0.189 1
1 240 . 1 1 1 A 35 35 ALA N N 35 129.585 122.917 6.668 1
1 241 . 1 1 1 A 36 36 ASP H H 36 8.216 7.985 0.231 1
1 242 . 1 1 1 A 36 36 ASP HA H 36 4.555 4.819 -0.264 1
1 245 . 1 1 1 A 36 36 ASP N N 36 112.620 116.066 -3.446 1
1 246 . 1 1 1 A 37 37 TRP H H 37 7.625 7.836 -0.211 1
1 247 . 1 1 1 A 37 37 TRP HA H 37 4.112 4.873 -0.761 1
1 256 . 1 1 1 A 37 37 TRP N N 37 123.123 123.085 0.038 1
1 257 . 1 1 1 A 38 38 VAL H H 38 6.310 8.691 -2.381 1
1 258 . 1 1 1 A 38 38 VAL HA H 38 4.395 4.565 -0.170 1
1 266 . 1 1 1 A 38 38 VAL N N 38 117.596 119.510 -1.914 1
1 267 . 1 1 1 A 39 39 CYS H H 39 8.991 8.684 0.307 1
1 268 . 1 1 1 A 39 39 CYS HA H 39 3.817 4.257 -0.440 1
1 271 . 1 1 1 A 39 39 CYS N N 39 121.584 122.525 -0.941 1
1 272 . 1 1 1 A 40 40 PRO HA H 40 4.075 4.428 -0.353 1
1 279 . 1 1 1 A 41 41 VAL H H 41 8.754 7.774 0.980 1
1 280 . 1 1 1 A 41 41 VAL HA H 41 3.893 3.764 0.129 1
1 288 . 1 1 1 A 41 41 VAL N N 41 123.419 115.468 7.951 1
1 289 . 1 1 1 A 42 42 CYS H H 42 8.824 8.117 0.707 1
1 290 . 1 1 1 A 42 42 CYS HA H 42 4.893 4.567 0.326 1
1 293 . 1 1 1 A 42 42 CYS N N 42 121.044 115.101 5.943 1
1 294 . 1 1 1 A 43 43 GLY H H 43 7.892 7.792 0.100 1
1 295 . 1 1 1 A 43 43 GLY HA2 H 43 3.526 3.946 -0.420 1
1 296 . 1 1 1 A 43 43 GLY HA3 H 43 4.055 3.998 0.057 1
1 297 . 1 1 1 A 43 43 GLY N N 43 112.916 108.892 4.024 1
1 298 . 1 1 1 A 44 44 ALA H H 44 9.156 7.987 1.169 1
1 299 . 1 1 1 A 44 44 ALA HA H 44 4.395 4.781 -0.386 1
1 303 . 1 1 1 A 44 44 ALA N N 44 129.120 122.145 6.975 1
1 310 . 1 1 1 A 46 46 LYS H H 46 8.229 8.596 -0.367 1
1 311 . 1 1 1 A 46 46 LYS HA H 46 4.117 4.268 -0.151 1
1 320 . 1 1 1 A 46 46 LYS N N 46 118.692 122.513 -3.821 1
1 321 . 1 1 1 A 47 47 SER H H 47 8.070 8.171 -0.101 1
1 322 . 1 1 1 A 47 47 SER HA H 47 4.377 4.431 -0.054 1
1 323 . 1 1 1 A 47 47 SER N N 47 110.772 115.031 -4.259 1
1 324 . 1 1 1 A 48 48 GLU H H 48 8.476 7.948 0.528 1
1 329 . 1 1 1 A 48 48 GLU N N 48 119.845 118.272 1.573 1
1 330 . 1 1 1 A 49 49 PHE H H 49 8.116 7.735 0.381 1
1 331 . 1 1 1 A 49 49 PHE HA H 49 5.436 5.393 0.043 1
1 339 . 1 1 1 A 49 49 PHE N N 49 122.914 119.174 3.740 1
1 340 . 1 1 1 A 50 50 GLU H H 50 9.055 8.970 0.085 1
1 345 . 1 1 1 A 50 50 GLU N N 50 119.977 122.918 -2.941 1
1 346 . 1 1 1 A 51 51 ALA H H 51 8.557 8.736 -0.179 1
1 347 . 1 1 1 A 51 51 ALA HA H 51 3.306 3.744 -0.438 1
1 351 . 1 1 1 A 51 51 ALA N N 51 127.085 123.851 3.234 1
1 5 . 2 1 1 A 2 2 LYS HA H 2 4.325 4.878 -0.553 1
1 12 . 2 1 1 A 3 3 LYS H H 3 8.325 8.640 -0.315 1
1 13 . 2 1 1 A 3 3 LYS HA H 3 4.881 4.739 0.142 1
1 22 . 2 1 1 A 3 3 LYS N N 3 121.705 124.024 -2.319 1
1 23 . 2 1 1 A 4 4 TYR H H 4 8.556 8.878 -0.322 1
1 24 . 2 1 1 A 4 4 TYR HA H 4 4.931 5.554 -0.623 1
1 31 . 2 1 1 A 4 4 TYR N N 4 120.748 122.923 -2.175 1
1 32 . 2 1 1 A 5 5 VAL H H 5 9.498 8.821 0.677 1
1 33 . 2 1 1 A 5 5 VAL HA H 5 5.132 4.656 0.476 1
1 41 . 2 1 1 A 5 5 VAL N N 5 120.677 120.835 -0.158 1
1 42 . 2 1 1 A 6 6 CYS H H 6 9.438 8.461 0.977 1
1 43 . 2 1 1 A 6 6 CYS HA H 6 2.742 4.200 -1.458 1
1 46 . 2 1 1 A 6 6 CYS N N 6 131.360 121.352 10.008 1
1 47 . 2 1 1 A 7 7 THR H H 7 8.289 8.570 -0.281 1
1 48 . 2 1 1 A 7 7 THR HA H 7 4.365 4.506 -0.141 1
1 53 . 2 1 1 A 7 7 THR N N 7 122.494 117.730 4.764 1
1 54 . 2 1 1 A 8 8 VAL H H 8 9.102 7.866 1.236 1
1 55 . 2 1 1 A 8 8 VAL HA H 8 3.934 4.179 -0.245 1
1 63 . 2 1 1 A 8 8 VAL N N 8 126.451 119.857 6.594 1
1 64 . 2 1 1 A 9 9 CYS H H 9 9.195 8.073 1.122 1
1 65 . 2 1 1 A 9 9 CYS HA H 9 4.980 4.612 0.368 1
1 68 . 2 1 1 A 9 9 CYS N N 9 121.274 115.155 6.119 1
1 69 . 2 1 1 A 10 10 GLY H H 10 7.821 8.086 -0.265 1
1 70 . 2 1 1 A 10 10 GLY HA2 H 10 3.663 3.922 -0.259 1
1 71 . 2 1 1 A 10 10 GLY HA3 H 10 4.251 3.943 0.308 1
1 72 . 2 1 1 A 10 10 GLY N N 10 113.067 110.166 2.901 1
1 73 . 2 1 1 A 11 11 TYR H H 11 9.393 8.015 1.378 1
1 74 . 2 1 1 A 11 11 TYR HA H 11 4.213 4.573 -0.360 1
1 81 . 2 1 1 A 11 11 TYR N N 11 128.218 122.264 5.954 1
1 82 . 2 1 1 A 12 12 GLU H H 12 7.456 9.069 -1.613 1
1 83 . 2 1 1 A 12 12 GLU HA H 12 4.887 4.973 -0.086 1
1 88 . 2 1 1 A 12 12 GLU N N 12 127.210 121.813 5.397 1
1 89 . 2 1 1 A 13 13 TYR H H 13 9.540 8.828 0.712 1
1 90 . 2 1 1 A 13 13 TYR HA H 13 4.445 5.266 -0.821 1
1 98 . 2 1 1 A 13 13 TYR N N 13 125.578 125.140 0.438 1
1 99 . 2 1 1 A 14 14 ASP H H 14 8.390 8.827 -0.437 1
1 100 . 2 1 1 A 14 14 ASP HA H 14 5.013 4.861 0.152 1
1 103 . 2 1 1 A 14 14 ASP N N 14 128.076 126.896 1.180 1
1 104 . 2 1 1 A 15 15 PRO HA H 15 4.008 4.262 -0.254 1
1 111 . 2 1 1 A 16 16 ALA H H 16 7.897 8.263 -0.366 1
1 112 . 2 1 1 A 16 16 ALA HA H 16 3.910 4.044 -0.134 1
1 116 . 2 1 1 A 16 16 ALA N N 16 116.302 120.956 -4.654 1
1 117 . 2 1 1 A 17 17 GLU H H 17 7.388 8.075 -0.687 1
1 118 . 2 1 1 A 17 17 GLU HA H 17 4.354 4.382 -0.028 1
1 123 . 2 1 1 A 17 17 GLU N N 17 114.338 114.686 -0.348 1
1 124 . 2 1 1 A 18 18 GLY H H 18 8.069 7.481 0.588 1
1 125 . 2 1 1 A 18 18 GLY HA2 H 18 3.963 4.121 -0.158 1
1 126 . 2 1 1 A 18 18 GLY HA3 H 18 3.510 4.144 -0.634 1
1 127 . 2 1 1 A 18 18 GLY N N 18 105.574 106.750 -1.176 1
1 128 . 2 1 1 A 19 19 ASP H H 19 8.141 8.533 -0.392 1
1 129 . 2 1 1 A 19 19 ASP HA H 19 5.198 5.152 0.046 1
1 132 . 2 1 1 A 19 19 ASP N N 19 117.708 119.907 -2.199 1
1 133 . 2 1 1 A 20 20 PRO HA H 20 4.005 4.459 -0.454 1
1 140 . 2 1 1 A 21 21 ASP H H 21 9.391 8.464 0.927 1
1 141 . 2 1 1 A 21 21 ASP HA H 21 4.473 4.377 0.096 1
1 144 . 2 1 1 A 21 21 ASP N N 21 120.881 119.226 1.655 1
1 145 . 2 1 1 A 22 22 ASN H H 22 7.663 7.790 -0.127 1
1 146 . 2 1 1 A 22 22 ASN HA H 22 5.078 4.716 0.362 1
1 151 . 2 1 1 A 22 22 ASN N N 22 114.971 115.255 -0.284 1
1 152 . 2 1 1 A 23 23 GLY H H 23 7.678 7.180 0.498 1
1 153 . 2 1 1 A 23 23 GLY HA2 H 23 4.165 4.168 -0.003 1
1 154 . 2 1 1 A 23 23 GLY HA3 H 23 3.789 4.170 -0.381 1
1 155 . 2 1 1 A 23 23 GLY N N 23 105.605 103.636 1.969 1
1 156 . 2 1 1 A 24 24 VAL H H 24 7.556 8.104 -0.548 1
1 157 . 2 1 1 A 24 24 VAL HA H 24 4.167 4.517 -0.350 1
1 165 . 2 1 1 A 24 24 VAL N N 24 122.396 119.943 2.453 1
1 166 . 2 1 1 A 25 25 LYS H H 25 8.552 8.476 0.076 1
1 167 . 2 1 1 A 25 25 LYS HA H 25 4.414 4.397 0.017 1
1 174 . 2 1 1 A 25 25 LYS N N 25 128.930 127.649 1.281 1
1 175 . 2 1 1 A 26 26 PRO HA H 26 3.683 4.636 -0.953 1
1 180 . 2 1 1 A 27 27 GLY H H 27 8.708 8.813 -0.105 1
1 181 . 2 1 1 A 27 27 GLY HA2 H 27 4.172 4.048 0.124 1
1 182 . 2 1 1 A 27 27 GLY HA3 H 27 3.419 4.053 -0.634 1
1 183 . 2 1 1 A 27 27 GLY N N 27 112.997 112.729 0.268 1
1 184 . 2 1 1 A 28 28 THR H H 28 7.133 7.821 -0.688 1
1 185 . 2 1 1 A 28 28 THR HA H 28 4.197 4.652 -0.455 1
1 191 . 2 1 1 A 28 28 THR N N 28 117.317 115.011 2.306 1
1 192 . 2 1 1 A 29 29 SER H H 29 9.543 8.764 0.779 1
1 193 . 2 1 1 A 29 29 SER HA H 29 3.951 4.440 -0.489 1
1 195 . 2 1 1 A 29 29 SER N N 29 127.007 123.461 3.546 1
1 196 . 2 1 1 A 30 30 PHE H H 30 9.546 9.033 0.513 1
1 197 . 2 1 1 A 30 30 PHE HA H 30 3.288 4.035 -0.747 1
1 205 . 2 1 1 A 30 30 PHE N N 30 124.800 123.783 1.017 1
1 206 . 2 1 1 A 31 31 ASP H H 31 7.915 8.324 -0.409 1
1 207 . 2 1 1 A 31 31 ASP HA H 31 4.005 4.594 -0.589 1
1 210 . 2 1 1 A 31 31 ASP N N 31 114.735 118.870 -4.135 1
1 211 . 2 1 1 A 32 32 ASP H H 32 7.330 7.875 -0.545 1
1 212 . 2 1 1 A 32 32 ASP HA H 32 4.524 4.744 -0.220 1
1 215 . 2 1 1 A 32 32 ASP N N 32 117.008 117.237 -0.229 1
1 216 . 2 1 1 A 33 33 LEU H H 33 6.802 7.300 -0.498 1
1 217 . 2 1 1 A 33 33 LEU HA H 33 3.773 4.375 -0.602 1
1 227 . 2 1 1 A 33 33 LEU N N 33 123.359 121.442 1.917 1
1 228 . 2 1 1 A 34 34 PRO HA H 34 4.277 4.539 -0.262 1
1 235 . 2 1 1 A 35 35 ALA H H 35 7.896 8.611 -0.715 1
1 236 . 2 1 1 A 35 35 ALA HA H 35 3.932 4.047 -0.115 1
1 240 . 2 1 1 A 35 35 ALA N N 35 129.585 125.383 4.202 1
1 241 . 2 1 1 A 36 36 ASP H H 36 8.216 7.931 0.285 1
1 242 . 2 1 1 A 36 36 ASP HA H 36 4.555 4.813 -0.258 1
1 245 . 2 1 1 A 36 36 ASP N N 36 112.620 116.175 -3.555 1
1 246 . 2 1 1 A 37 37 TRP H H 37 7.625 7.722 -0.097 1
1 247 . 2 1 1 A 37 37 TRP HA H 37 4.112 4.969 -0.857 1
1 256 . 2 1 1 A 37 37 TRP N N 37 123.123 122.926 0.197 1
1 257 . 2 1 1 A 38 38 VAL H H 38 6.310 8.763 -2.453 1
1 258 . 2 1 1 A 38 38 VAL HA H 38 4.395 4.608 -0.213 1
1 266 . 2 1 1 A 38 38 VAL N N 38 117.596 118.238 -0.642 1
1 267 . 2 1 1 A 39 39 CYS H H 39 8.991 8.546 0.445 1
1 268 . 2 1 1 A 39 39 CYS HA H 39 3.817 4.362 -0.545 1
1 271 . 2 1 1 A 39 39 CYS N N 39 121.584 121.497 0.087 1
1 272 . 2 1 1 A 40 40 PRO HA H 40 4.075 4.368 -0.293 1
1 279 . 2 1 1 A 41 41 VAL H H 41 8.754 7.676 1.078 1
1 280 . 2 1 1 A 41 41 VAL HA H 41 3.893 3.795 0.098 1
1 288 . 2 1 1 A 41 41 VAL N N 41 123.419 114.947 8.472 1
1 289 . 2 1 1 A 42 42 CYS H H 42 8.824 8.024 0.800 1
1 290 . 2 1 1 A 42 42 CYS HA H 42 4.893 4.626 0.267 1
1 293 . 2 1 1 A 42 42 CYS N N 42 121.044 115.207 5.837 1
1 294 . 2 1 1 A 43 43 GLY H H 43 7.892 7.595 0.297 1
1 295 . 2 1 1 A 43 43 GLY HA2 H 43 3.526 3.950 -0.424 1
1 296 . 2 1 1 A 43 43 GLY HA3 H 43 4.055 4.017 0.038 1
1 297 . 2 1 1 A 43 43 GLY N N 43 112.916 108.559 4.357 1
1 298 . 2 1 1 A 44 44 ALA H H 44 9.156 7.938 1.218 1
1 299 . 2 1 1 A 44 44 ALA HA H 44 4.395 4.807 -0.412 1
1 303 . 2 1 1 A 44 44 ALA N N 44 129.120 122.498 6.622 1
1 310 . 2 1 1 A 46 46 LYS H H 46 8.229 8.539 -0.310 1
1 311 . 2 1 1 A 46 46 LYS HA H 46 4.117 4.110 0.007 1
1 320 . 2 1 1 A 46 46 LYS N N 46 118.692 122.680 -3.988 1
1 321 . 2 1 1 A 47 47 SER H H 47 8.070 8.030 0.040 1
1 322 . 2 1 1 A 47 47 SER HA H 47 4.377 4.386 -0.009 1
1 323 . 2 1 1 A 47 47 SER N N 47 110.772 114.812 -4.040 1
1 324 . 2 1 1 A 48 48 GLU H H 48 8.476 7.898 0.578 1
1 329 . 2 1 1 A 48 48 GLU N N 48 119.845 118.144 1.701 1
1 330 . 2 1 1 A 49 49 PHE H H 49 8.116 7.528 0.588 1
1 331 . 2 1 1 A 49 49 PHE HA H 49 5.436 5.400 0.036 1
1 339 . 2 1 1 A 49 49 PHE N N 49 122.914 118.875 4.039 1
1 340 . 2 1 1 A 50 50 GLU H H 50 9.055 9.070 -0.015 1
1 345 . 2 1 1 A 50 50 GLU N N 50 119.977 120.695 -0.718 1
1 346 . 2 1 1 A 51 51 ALA H H 51 8.557 8.704 -0.147 1
1 347 . 2 1 1 A 51 51 ALA HA H 51 3.306 4.140 -0.834 1
1 351 . 2 1 1 A 51 51 ALA N N 51 127.085 123.487 3.598 1
1 5 . 3 1 1 A 2 2 LYS HA H 2 4.325 4.166 0.159 1
1 12 . 3 1 1 A 3 3 LYS H H 3 8.325 7.715 0.610 1
1 13 . 3 1 1 A 3 3 LYS HA H 3 4.881 4.895 -0.014 1
1 22 . 3 1 1 A 3 3 LYS N N 3 121.705 118.445 3.260 1
1 23 . 3 1 1 A 4 4 TYR H H 4 8.556 8.880 -0.324 1
1 24 . 3 1 1 A 4 4 TYR HA H 4 4.931 5.421 -0.490 1
1 31 . 3 1 1 A 4 4 TYR N N 4 120.748 123.018 -2.270 1
1 32 . 3 1 1 A 5 5 VAL H H 5 9.498 8.943 0.555 1
1 33 . 3 1 1 A 5 5 VAL HA H 5 5.132 4.967 0.165 1
1 41 . 3 1 1 A 5 5 VAL N N 5 120.677 119.271 1.406 1
1 42 . 3 1 1 A 6 6 CYS H H 6 9.438 8.683 0.755 1
1 43 . 3 1 1 A 6 6 CYS HA H 6 2.742 3.858 -1.116 1
1 46 . 3 1 1 A 6 6 CYS N N 6 131.360 125.000 6.360 1
1 47 . 3 1 1 A 7 7 THR H H 7 8.289 8.927 -0.638 1
1 48 . 3 1 1 A 7 7 THR HA H 7 4.365 4.273 0.092 1
1 53 . 3 1 1 A 7 7 THR N N 7 122.494 120.848 1.646 1
1 54 . 3 1 1 A 8 8 VAL H H 8 9.102 7.759 1.343 1
1 55 . 3 1 1 A 8 8 VAL HA H 8 3.934 3.892 0.042 1
1 63 . 3 1 1 A 8 8 VAL N N 8 126.451 120.899 5.552 1
1 64 . 3 1 1 A 9 9 CYS H H 9 9.195 7.897 1.298 1
1 65 . 3 1 1 A 9 9 CYS HA H 9 4.980 4.467 0.513 1
1 68 . 3 1 1 A 9 9 CYS N N 9 121.274 116.912 4.362 1
1 69 . 3 1 1 A 10 10 GLY H H 10 7.821 8.046 -0.225 1
1 70 . 3 1 1 A 10 10 GLY HA2 H 10 3.663 4.035 -0.372 1
1 71 . 3 1 1 A 10 10 GLY HA3 H 10 4.251 4.057 0.194 1
1 72 . 3 1 1 A 10 10 GLY N N 10 113.067 108.208 4.859 1
1 73 . 3 1 1 A 11 11 TYR H H 11 9.393 8.013 1.380 1
1 74 . 3 1 1 A 11 11 TYR HA H 11 4.213 4.508 -0.295 1
1 81 . 3 1 1 A 11 11 TYR N N 11 128.218 122.117 6.101 1
1 82 . 3 1 1 A 12 12 GLU H H 12 7.456 8.848 -1.392 1
1 83 . 3 1 1 A 12 12 GLU HA H 12 4.887 4.635 0.252 1
1 88 . 3 1 1 A 12 12 GLU N N 12 127.210 126.690 0.520 1
1 89 . 3 1 1 A 13 13 TYR H H 13 9.540 8.798 0.742 1
1 90 . 3 1 1 A 13 13 TYR HA H 13 4.445 4.998 -0.553 1
1 98 . 3 1 1 A 13 13 TYR N N 13 125.578 125.445 0.133 1
1 99 . 3 1 1 A 14 14 ASP H H 14 8.390 8.654 -0.264 1
1 100 . 3 1 1 A 14 14 ASP HA H 14 5.013 5.024 -0.011 1
1 103 . 3 1 1 A 14 14 ASP N N 14 128.076 128.415 -0.339 1
1 104 . 3 1 1 A 15 15 PRO HA H 15 4.008 4.199 -0.191 1
1 111 . 3 1 1 A 16 16 ALA H H 16 7.897 8.381 -0.484 1
1 112 . 3 1 1 A 16 16 ALA HA H 16 3.910 4.068 -0.158 1
1 116 . 3 1 1 A 16 16 ALA N N 16 116.302 121.669 -5.367 1
1 117 . 3 1 1 A 17 17 GLU H H 17 7.388 8.120 -0.732 1
1 118 . 3 1 1 A 17 17 GLU HA H 17 4.354 4.366 -0.012 1
1 123 . 3 1 1 A 17 17 GLU N N 17 114.338 112.990 1.348 1
1 124 . 3 1 1 A 18 18 GLY H H 18 8.069 7.342 0.727 1
1 125 . 3 1 1 A 18 18 GLY HA2 H 18 3.963 4.004 -0.041 1
1 126 . 3 1 1 A 18 18 GLY HA3 H 18 3.510 4.025 -0.515 1
1 127 . 3 1 1 A 18 18 GLY N N 18 105.574 108.107 -2.533 1
1 128 . 3 1 1 A 19 19 ASP H H 19 8.141 8.647 -0.506 1
1 129 . 3 1 1 A 19 19 ASP HA H 19 5.198 5.352 -0.154 1
1 132 . 3 1 1 A 19 19 ASP N N 19 117.708 118.680 -0.972 1
1 133 . 3 1 1 A 20 20 PRO HA H 20 4.005 4.489 -0.484 1
1 140 . 3 1 1 A 21 21 ASP H H 21 9.391 8.352 1.039 1
1 141 . 3 1 1 A 21 21 ASP HA H 21 4.473 4.418 0.055 1
1 144 . 3 1 1 A 21 21 ASP N N 21 120.881 118.218 2.663 1
1 145 . 3 1 1 A 22 22 ASN H H 22 7.663 8.238 -0.575 1
1 146 . 3 1 1 A 22 22 ASN HA H 22 5.078 4.739 0.339 1
1 151 . 3 1 1 A 22 22 ASN N N 22 114.971 114.735 0.236 1
1 152 . 3 1 1 A 23 23 GLY H H 23 7.678 8.013 -0.335 1
1 153 . 3 1 1 A 23 23 GLY HA2 H 23 4.165 4.023 0.142 1
1 154 . 3 1 1 A 23 23 GLY HA3 H 23 3.789 4.028 -0.239 1
1 155 . 3 1 1 A 23 23 GLY N N 23 105.605 105.936 -0.331 1
1 156 . 3 1 1 A 24 24 VAL H H 24 7.556 7.690 -0.134 1
1 157 . 3 1 1 A 24 24 VAL HA H 24 4.167 4.087 0.080 1
1 165 . 3 1 1 A 24 24 VAL N N 24 122.396 122.391 0.005 1
1 166 . 3 1 1 A 25 25 LYS H H 25 8.552 8.574 -0.022 1
1 167 . 3 1 1 A 25 25 LYS HA H 25 4.414 4.808 -0.394 1
1 174 . 3 1 1 A 25 25 LYS N N 25 128.930 121.207 7.723 1
1 175 . 3 1 1 A 26 26 PRO HA H 26 3.683 4.379 -0.696 1
1 180 . 3 1 1 A 27 27 GLY H H 27 8.708 8.799 -0.091 1
1 181 . 3 1 1 A 27 27 GLY HA2 H 27 4.172 4.028 0.144 1
1 182 . 3 1 1 A 27 27 GLY HA3 H 27 3.419 4.031 -0.612 1
1 183 . 3 1 1 A 27 27 GLY N N 27 112.997 112.850 0.147 1
1 184 . 3 1 1 A 28 28 THR H H 28 7.133 7.842 -0.709 1
1 185 . 3 1 1 A 28 28 THR HA H 28 4.197 4.570 -0.373 1
1 191 . 3 1 1 A 28 28 THR N N 28 117.317 115.225 2.092 1
1 192 . 3 1 1 A 29 29 SER H H 29 9.543 8.932 0.611 1
1 193 . 3 1 1 A 29 29 SER HA H 29 3.951 4.456 -0.505 1
1 195 . 3 1 1 A 29 29 SER N N 29 127.007 123.347 3.660 1
1 196 . 3 1 1 A 30 30 PHE H H 30 9.546 9.108 0.438 1
1 197 . 3 1 1 A 30 30 PHE HA H 30 3.288 4.032 -0.744 1
1 205 . 3 1 1 A 30 30 PHE N N 30 124.800 124.040 0.760 1
1 206 . 3 1 1 A 31 31 ASP H H 31 7.915 8.492 -0.577 1
1 207 . 3 1 1 A 31 31 ASP HA H 31 4.005 4.517 -0.512 1
1 210 . 3 1 1 A 31 31 ASP N N 31 114.735 118.729 -3.994 1
1 211 . 3 1 1 A 32 32 ASP H H 32 7.330 7.988 -0.658 1
1 212 . 3 1 1 A 32 32 ASP HA H 32 4.524 4.679 -0.155 1
1 215 . 3 1 1 A 32 32 ASP N N 32 117.008 117.538 -0.530 1
1 216 . 3 1 1 A 33 33 LEU H H 33 6.802 7.371 -0.569 1
1 217 . 3 1 1 A 33 33 LEU HA H 33 3.773 4.230 -0.457 1
1 227 . 3 1 1 A 33 33 LEU N N 33 123.359 121.597 1.762 1
1 228 . 3 1 1 A 34 34 PRO HA H 34 4.277 4.600 -0.323 1
1 235 . 3 1 1 A 35 35 ALA H H 35 7.896 8.696 -0.800 1
1 236 . 3 1 1 A 35 35 ALA HA H 35 3.932 3.964 -0.032 1
1 240 . 3 1 1 A 35 35 ALA N N 35 129.585 125.627 3.958 1
1 241 . 3 1 1 A 36 36 ASP H H 36 8.216 8.149 0.067 1
1 242 . 3 1 1 A 36 36 ASP HA H 36 4.555 4.755 -0.200 1
1 245 . 3 1 1 A 36 36 ASP N N 36 112.620 115.776 -3.156 1
1 246 . 3 1 1 A 37 37 TRP H H 37 7.625 7.813 -0.188 1
1 247 . 3 1 1 A 37 37 TRP HA H 37 4.112 5.019 -0.907 1
1 256 . 3 1 1 A 37 37 TRP N N 37 123.123 122.803 0.320 1
1 257 . 3 1 1 A 38 38 VAL H H 38 6.310 8.852 -2.542 1
1 258 . 3 1 1 A 38 38 VAL HA H 38 4.395 4.714 -0.319 1
1 266 . 3 1 1 A 38 38 VAL N N 38 117.596 119.093 -1.497 1
1 267 . 3 1 1 A 39 39 CYS H H 39 8.991 8.622 0.369 1
1 268 . 3 1 1 A 39 39 CYS HA H 39 3.817 4.445 -0.628 1
1 271 . 3 1 1 A 39 39 CYS N N 39 121.584 121.503 0.081 1
1 272 . 3 1 1 A 40 40 PRO HA H 40 4.075 4.377 -0.302 1
1 279 . 3 1 1 A 41 41 VAL H H 41 8.754 7.822 0.932 1
1 280 . 3 1 1 A 41 41 VAL HA H 41 3.893 3.833 0.060 1
1 288 . 3 1 1 A 41 41 VAL N N 41 123.419 115.210 8.209 1
1 289 . 3 1 1 A 42 42 CYS H H 42 8.824 8.141 0.683 1
1 290 . 3 1 1 A 42 42 CYS HA H 42 4.893 4.579 0.314 1
1 293 . 3 1 1 A 42 42 CYS N N 42 121.044 115.147 5.897 1
1 294 . 3 1 1 A 43 43 GLY H H 43 7.892 7.739 0.153 1
1 295 . 3 1 1 A 43 43 GLY HA2 H 43 3.526 3.907 -0.381 1
1 296 . 3 1 1 A 43 43 GLY HA3 H 43 4.055 3.976 0.079 1
1 297 . 3 1 1 A 43 43 GLY N N 43 112.916 109.146 3.770 1
1 298 . 3 1 1 A 44 44 ALA H H 44 9.156 7.910 1.246 1
1 299 . 3 1 1 A 44 44 ALA HA H 44 4.395 4.683 -0.288 1
1 303 . 3 1 1 A 44 44 ALA N N 44 129.120 123.143 5.977 1
1 310 . 3 1 1 A 46 46 LYS H H 46 8.229 8.809 -0.580 1
1 311 . 3 1 1 A 46 46 LYS HA H 46 4.117 4.497 -0.380 1
1 320 . 3 1 1 A 46 46 LYS N N 46 118.692 120.630 -1.938 1
1 321 . 3 1 1 A 47 47 SER H H 47 8.070 8.070 0.000 1
1 322 . 3 1 1 A 47 47 SER HA H 47 4.377 4.595 -0.218 1
1 323 . 3 1 1 A 47 47 SER N N 47 110.772 114.622 -3.850 1
1 324 . 3 1 1 A 48 48 GLU H H 48 8.476 8.428 0.048 1
1 329 . 3 1 1 A 48 48 GLU N N 48 119.845 118.238 1.607 1
1 330 . 3 1 1 A 49 49 PHE H H 49 8.116 7.728 0.388 1
1 331 . 3 1 1 A 49 49 PHE HA H 49 5.436 4.887 0.549 1
1 339 . 3 1 1 A 49 49 PHE N N 49 122.914 121.379 1.535 1
1 340 . 3 1 1 A 50 50 GLU H H 50 9.055 8.441 0.614 1
1 345 . 3 1 1 A 50 50 GLU N N 50 119.977 122.411 -2.434 1
1 346 . 3 1 1 A 51 51 ALA H H 51 8.557 8.707 -0.150 1
1 347 . 3 1 1 A 51 51 ALA HA H 51 3.306 4.640 -1.334 1
1 351 . 3 1 1 A 51 51 ALA N N 51 127.085 123.170 3.915 1
1 5 . 4 1 1 A 2 2 LYS HA H 2 4.325 4.614 -0.289 1
1 12 . 4 1 1 A 3 3 LYS H H 3 8.325 8.988 -0.663 1
1 13 . 4 1 1 A 3 3 LYS HA H 3 4.881 4.842 0.039 1
1 22 . 4 1 1 A 3 3 LYS N N 3 121.705 126.517 -4.812 1
1 23 . 4 1 1 A 4 4 TYR H H 4 8.556 8.808 -0.252 1
1 24 . 4 1 1 A 4 4 TYR HA H 4 4.931 5.153 -0.222 1
1 31 . 4 1 1 A 4 4 TYR N N 4 120.748 123.722 -2.974 1
1 32 . 4 1 1 A 5 5 VAL H H 5 9.498 8.806 0.692 1
1 33 . 4 1 1 A 5 5 VAL HA H 5 5.132 4.776 0.356 1
1 41 . 4 1 1 A 5 5 VAL N N 5 120.677 121.286 -0.609 1
1 42 . 4 1 1 A 6 6 CYS H H 6 9.438 8.604 0.834 1
1 43 . 4 1 1 A 6 6 CYS HA H 6 2.742 4.127 -1.385 1
1 46 . 4 1 1 A 6 6 CYS N N 6 131.360 121.072 10.288 1
1 47 . 4 1 1 A 7 7 THR H H 7 8.289 8.776 -0.487 1
1 48 . 4 1 1 A 7 7 THR HA H 7 4.365 4.410 -0.045 1
1 53 . 4 1 1 A 7 7 THR N N 7 122.494 118.661 3.833 1
1 54 . 4 1 1 A 8 8 VAL H H 8 9.102 8.027 1.075 1
1 55 . 4 1 1 A 8 8 VAL HA H 8 3.934 4.216 -0.282 1
1 63 . 4 1 1 A 8 8 VAL N N 8 126.451 119.586 6.865 1
1 64 . 4 1 1 A 9 9 CYS H H 9 9.195 8.137 1.058 1
1 65 . 4 1 1 A 9 9 CYS HA H 9 4.980 4.632 0.348 1
1 68 . 4 1 1 A 9 9 CYS N N 9 121.274 115.132 6.142 1
1 69 . 4 1 1 A 10 10 GLY H H 10 7.821 8.008 -0.187 1
1 70 . 4 1 1 A 10 10 GLY HA2 H 10 3.663 3.904 -0.241 1
1 71 . 4 1 1 A 10 10 GLY HA3 H 10 4.251 3.925 0.326 1
1 72 . 4 1 1 A 10 10 GLY N N 10 113.067 110.277 2.790 1
1 73 . 4 1 1 A 11 11 TYR H H 11 9.393 8.086 1.307 1
1 74 . 4 1 1 A 11 11 TYR HA H 11 4.213 4.582 -0.369 1
1 81 . 4 1 1 A 11 11 TYR N N 11 128.218 122.042 6.176 1
1 82 . 4 1 1 A 12 12 GLU H H 12 7.456 9.144 -1.688 1
1 83 . 4 1 1 A 12 12 GLU HA H 12 4.887 4.887 0.000 1
1 88 . 4 1 1 A 12 12 GLU N N 12 127.210 120.650 6.560 1
1 89 . 4 1 1 A 13 13 TYR H H 13 9.540 9.083 0.457 1
1 90 . 4 1 1 A 13 13 TYR HA H 13 4.445 5.197 -0.752 1
1 98 . 4 1 1 A 13 13 TYR N N 13 125.578 126.283 -0.705 1
1 99 . 4 1 1 A 14 14 ASP H H 14 8.390 8.829 -0.439 1
1 100 . 4 1 1 A 14 14 ASP HA H 14 5.013 5.022 -0.009 1
1 103 . 4 1 1 A 14 14 ASP N N 14 128.076 127.879 0.197 1
1 104 . 4 1 1 A 15 15 PRO HA H 15 4.008 4.191 -0.183 1
1 111 . 4 1 1 A 16 16 ALA H H 16 7.897 8.299 -0.402 1
1 112 . 4 1 1 A 16 16 ALA HA H 16 3.910 4.040 -0.130 1
1 116 . 4 1 1 A 16 16 ALA N N 16 116.302 121.294 -4.992 1
1 117 . 4 1 1 A 17 17 GLU H H 17 7.388 8.104 -0.716 1
1 118 . 4 1 1 A 17 17 GLU HA H 17 4.354 4.212 0.142 1
1 123 . 4 1 1 A 17 17 GLU N N 17 114.338 112.674 1.664 1
1 124 . 4 1 1 A 18 18 GLY H H 18 8.069 7.505 0.564 1
1 125 . 4 1 1 A 18 18 GLY HA2 H 18 3.963 4.079 -0.116 1
1 126 . 4 1 1 A 18 18 GLY HA3 H 18 3.510 4.097 -0.587 1
1 127 . 4 1 1 A 18 18 GLY N N 18 105.574 108.322 -2.748 1
1 128 . 4 1 1 A 19 19 ASP H H 19 8.141 8.659 -0.518 1
1 129 . 4 1 1 A 19 19 ASP HA H 19 5.198 5.197 0.001 1
1 132 . 4 1 1 A 19 19 ASP N N 19 117.708 120.999 -3.291 1
1 133 . 4 1 1 A 20 20 PRO HA H 20 4.005 4.489 -0.484 1
1 140 . 4 1 1 A 21 21 ASP H H 21 9.391 8.726 0.665 1
1 141 . 4 1 1 A 21 21 ASP HA H 21 4.473 4.375 0.098 1
1 144 . 4 1 1 A 21 21 ASP N N 21 120.881 119.495 1.386 1
1 145 . 4 1 1 A 22 22 ASN H H 22 7.663 8.111 -0.448 1
1 146 . 4 1 1 A 22 22 ASN HA H 22 5.078 4.943 0.135 1
1 151 . 4 1 1 A 22 22 ASN N N 22 114.971 113.460 1.511 1
1 152 . 4 1 1 A 23 23 GLY H H 23 7.678 7.272 0.406 1
1 153 . 4 1 1 A 23 23 GLY HA2 H 23 4.165 4.095 0.070 1
1 154 . 4 1 1 A 23 23 GLY HA3 H 23 3.789 4.101 -0.312 1
1 155 . 4 1 1 A 23 23 GLY N N 23 105.605 106.973 -1.368 1
1 156 . 4 1 1 A 24 24 VAL H H 24 7.556 8.015 -0.459 1
1 157 . 4 1 1 A 24 24 VAL HA H 24 4.167 4.577 -0.410 1
1 165 . 4 1 1 A 24 24 VAL N N 24 122.396 120.236 2.160 1
1 166 . 4 1 1 A 25 25 LYS H H 25 8.552 8.836 -0.284 1
1 167 . 4 1 1 A 25 25 LYS HA H 25 4.414 5.008 -0.594 1
1 174 . 4 1 1 A 25 25 LYS N N 25 128.930 120.812 8.118 1
1 175 . 4 1 1 A 26 26 PRO HA H 26 3.683 4.400 -0.717 1
1 180 . 4 1 1 A 27 27 GLY H H 27 8.708 8.779 -0.071 1
1 181 . 4 1 1 A 27 27 GLY HA2 H 27 4.172 4.065 0.107 1
1 182 . 4 1 1 A 27 27 GLY HA3 H 27 3.419 4.069 -0.650 1
1 183 . 4 1 1 A 27 27 GLY N N 27 112.997 112.896 0.101 1
1 184 . 4 1 1 A 28 28 THR H H 28 7.133 7.942 -0.809 1
1 185 . 4 1 1 A 28 28 THR HA H 28 4.197 4.664 -0.467 1
1 191 . 4 1 1 A 28 28 THR N N 28 117.317 115.010 2.307 1
1 192 . 4 1 1 A 29 29 SER H H 29 9.543 8.843 0.700 1
1 193 . 4 1 1 A 29 29 SER HA H 29 3.951 4.438 -0.487 1
1 195 . 4 1 1 A 29 29 SER N N 29 127.007 122.943 4.064 1
1 196 . 4 1 1 A 30 30 PHE H H 30 9.546 8.996 0.550 1
1 197 . 4 1 1 A 30 30 PHE HA H 30 3.288 4.085 -0.797 1
1 205 . 4 1 1 A 30 30 PHE N N 30 124.800 124.422 0.378 1
1 206 . 4 1 1 A 31 31 ASP H H 31 7.915 8.348 -0.433 1
1 207 . 4 1 1 A 31 31 ASP HA H 31 4.005 4.508 -0.503 1
1 210 . 4 1 1 A 31 31 ASP N N 31 114.735 118.383 -3.648 1
1 211 . 4 1 1 A 32 32 ASP H H 32 7.330 7.838 -0.508 1
1 212 . 4 1 1 A 32 32 ASP HA H 32 4.524 4.627 -0.103 1
1 215 . 4 1 1 A 32 32 ASP N N 32 117.008 117.815 -0.807 1
1 216 . 4 1 1 A 33 33 LEU H H 33 6.802 7.479 -0.677 1
1 217 . 4 1 1 A 33 33 LEU HA H 33 3.773 4.136 -0.363 1
1 227 . 4 1 1 A 33 33 LEU N N 33 123.359 122.164 1.195 1
1 228 . 4 1 1 A 34 34 PRO HA H 34 4.277 4.468 -0.191 1
1 235 . 4 1 1 A 35 35 ALA H H 35 7.896 8.691 -0.795 1
1 236 . 4 1 1 A 35 35 ALA HA H 35 3.932 3.971 -0.039 1
1 240 . 4 1 1 A 35 35 ALA N N 35 129.585 125.827 3.758 1
1 241 . 4 1 1 A 36 36 ASP H H 36 8.216 8.126 0.090 1
1 242 . 4 1 1 A 36 36 ASP HA H 36 4.555 4.708 -0.153 1
1 245 . 4 1 1 A 36 36 ASP N N 36 112.620 115.562 -2.942 1
1 246 . 4 1 1 A 37 37 TRP H H 37 7.625 7.765 -0.140 1
1 247 . 4 1 1 A 37 37 TRP HA H 37 4.112 4.754 -0.642 1
1 256 . 4 1 1 A 37 37 TRP N N 37 123.123 123.032 0.091 1
1 257 . 4 1 1 A 38 38 VAL H H 38 6.310 8.701 -2.391 1
1 258 . 4 1 1 A 38 38 VAL HA H 38 4.395 4.533 -0.138 1
1 266 . 4 1 1 A 38 38 VAL N N 38 117.596 119.468 -1.872 1
1 267 . 4 1 1 A 39 39 CYS H H 39 8.991 8.559 0.432 1
1 268 . 4 1 1 A 39 39 CYS HA H 39 3.817 4.368 -0.551 1
1 271 . 4 1 1 A 39 39 CYS N N 39 121.584 121.819 -0.235 1
1 272 . 4 1 1 A 40 40 PRO HA H 40 4.075 4.343 -0.268 1
1 279 . 4 1 1 A 41 41 VAL H H 41 8.754 7.816 0.938 1
1 280 . 4 1 1 A 41 41 VAL HA H 41 3.893 3.841 0.052 1
1 288 . 4 1 1 A 41 41 VAL N N 41 123.419 114.956 8.463 1
1 289 . 4 1 1 A 42 42 CYS H H 42 8.824 8.126 0.698 1
1 290 . 4 1 1 A 42 42 CYS HA H 42 4.893 4.643 0.250 1
1 293 . 4 1 1 A 42 42 CYS N N 42 121.044 115.206 5.838 1
1 294 . 4 1 1 A 43 43 GLY H H 43 7.892 7.602 0.290 1
1 295 . 4 1 1 A 43 43 GLY HA2 H 43 3.526 3.933 -0.407 1
1 296 . 4 1 1 A 43 43 GLY HA3 H 43 4.055 3.992 0.063 1
1 297 . 4 1 1 A 43 43 GLY N N 43 112.916 108.573 4.343 1
1 298 . 4 1 1 A 44 44 ALA H H 44 9.156 7.955 1.201 1
1 299 . 4 1 1 A 44 44 ALA HA H 44 4.395 4.712 -0.317 1
1 303 . 4 1 1 A 44 44 ALA N N 44 129.120 123.416 5.704 1
1 310 . 4 1 1 A 46 46 LYS H H 46 8.229 8.625 -0.396 1
1 311 . 4 1 1 A 46 46 LYS HA H 46 4.117 4.173 -0.056 1
1 320 . 4 1 1 A 46 46 LYS N N 46 118.692 123.121 -4.429 1
1 321 . 4 1 1 A 47 47 SER H H 47 8.070 8.102 -0.032 1
1 322 . 4 1 1 A 47 47 SER HA H 47 4.377 4.393 -0.016 1
1 323 . 4 1 1 A 47 47 SER N N 47 110.772 114.921 -4.149 1
1 324 . 4 1 1 A 48 48 GLU H H 48 8.476 7.857 0.619 1
1 329 . 4 1 1 A 48 48 GLU N N 48 119.845 118.774 1.071 1
1 330 . 4 1 1 A 49 49 PHE H H 49 8.116 7.722 0.394 1
1 331 . 4 1 1 A 49 49 PHE HA H 49 5.436 4.720 0.716 1
1 339 . 4 1 1 A 49 49 PHE N N 49 122.914 120.178 2.736 1
1 340 . 4 1 1 A 50 50 GLU H H 50 9.055 9.001 0.054 1
1 345 . 4 1 1 A 50 50 GLU N N 50 119.977 122.527 -2.550 1
1 346 . 4 1 1 A 51 51 ALA H H 51 8.557 8.608 -0.051 1
1 347 . 4 1 1 A 51 51 ALA HA H 51 3.306 2.967 0.339 1
1 351 . 4 1 1 A 51 51 ALA N N 51 127.085 125.942 1.143 1
1 5 . 5 1 1 A 2 2 LYS HA H 2 4.325 4.263 0.062 1
1 12 . 5 1 1 A 3 3 LYS H H 3 8.325 7.853 0.472 1
1 13 . 5 1 1 A 3 3 LYS HA H 3 4.881 4.657 0.224 1
1 22 . 5 1 1 A 3 3 LYS N N 3 121.705 117.989 3.716 1
1 23 . 5 1 1 A 4 4 TYR H H 4 8.556 8.777 -0.221 1
1 24 . 5 1 1 A 4 4 TYR HA H 4 4.931 5.398 -0.467 1
1 31 . 5 1 1 A 4 4 TYR N N 4 120.748 118.554 2.194 1
1 32 . 5 1 1 A 5 5 VAL H H 5 9.498 8.769 0.729 1
1 33 . 5 1 1 A 5 5 VAL HA H 5 5.132 4.701 0.431 1
1 41 . 5 1 1 A 5 5 VAL N N 5 120.677 118.788 1.889 1
1 42 . 5 1 1 A 6 6 CYS H H 6 9.438 8.820 0.618 1
1 43 . 5 1 1 A 6 6 CYS HA H 6 2.742 4.098 -1.356 1
1 46 . 5 1 1 A 6 6 CYS N N 6 131.360 125.128 6.232 1
1 47 . 5 1 1 A 7 7 THR H H 7 8.289 8.545 -0.256 1
1 48 . 5 1 1 A 7 7 THR HA H 7 4.365 4.447 -0.082 1
1 53 . 5 1 1 A 7 7 THR N N 7 122.494 117.496 4.998 1
1 54 . 5 1 1 A 8 8 VAL H H 8 9.102 7.988 1.114 1
1 55 . 5 1 1 A 8 8 VAL HA H 8 3.934 3.743 0.191 1
1 63 . 5 1 1 A 8 8 VAL N N 8 126.451 121.643 4.808 1
1 64 . 5 1 1 A 9 9 CYS H H 9 9.195 7.895 1.300 1
1 65 . 5 1 1 A 9 9 CYS HA H 9 4.980 4.529 0.451 1
1 68 . 5 1 1 A 9 9 CYS N N 9 121.274 117.789 3.485 1
1 69 . 5 1 1 A 10 10 GLY H H 10 7.821 8.291 -0.470 1
1 70 . 5 1 1 A 10 10 GLY HA2 H 10 3.663 3.955 -0.292 1
1 71 . 5 1 1 A 10 10 GLY HA3 H 10 4.251 3.970 0.281 1
1 72 . 5 1 1 A 10 10 GLY N N 10 113.067 110.063 3.004 1
1 73 . 5 1 1 A 11 11 TYR H H 11 9.393 7.456 1.937 1
1 74 . 5 1 1 A 11 11 TYR HA H 11 4.213 4.989 -0.776 1
1 81 . 5 1 1 A 11 11 TYR N N 11 128.218 119.829 8.389 1
1 82 . 5 1 1 A 12 12 GLU H H 12 7.456 8.787 -1.331 1
1 83 . 5 1 1 A 12 12 GLU HA H 12 4.887 4.810 0.077 1
1 88 . 5 1 1 A 12 12 GLU N N 12 127.210 124.350 2.860 1
1 89 . 5 1 1 A 13 13 TYR H H 13 9.540 8.849 0.691 1
1 90 . 5 1 1 A 13 13 TYR HA H 13 4.445 5.030 -0.585 1
1 98 . 5 1 1 A 13 13 TYR N N 13 125.578 125.691 -0.113 1
1 99 . 5 1 1 A 14 14 ASP H H 14 8.390 8.676 -0.286 1
1 100 . 5 1 1 A 14 14 ASP HA H 14 5.013 4.922 0.091 1
1 103 . 5 1 1 A 14 14 ASP N N 14 128.076 127.652 0.424 1
1 104 . 5 1 1 A 15 15 PRO HA H 15 4.008 4.188 -0.180 1
1 111 . 5 1 1 A 16 16 ALA H H 16 7.897 8.227 -0.330 1
1 112 . 5 1 1 A 16 16 ALA HA H 16 3.910 3.992 -0.082 1
1 116 . 5 1 1 A 16 16 ALA N N 16 116.302 119.631 -3.329 1
1 117 . 5 1 1 A 17 17 GLU H H 17 7.388 8.009 -0.621 1
1 118 . 5 1 1 A 17 17 GLU HA H 17 4.354 4.251 0.103 1
1 123 . 5 1 1 A 17 17 GLU N N 17 114.338 112.851 1.487 1
1 124 . 5 1 1 A 18 18 GLY H H 18 8.069 7.558 0.511 1
1 125 . 5 1 1 A 18 18 GLY HA2 H 18 3.963 4.015 -0.052 1
1 126 . 5 1 1 A 18 18 GLY HA3 H 18 3.510 4.068 -0.558 1
1 127 . 5 1 1 A 18 18 GLY N N 18 105.574 109.733 -4.159 1
1 128 . 5 1 1 A 19 19 ASP H H 19 8.141 8.530 -0.389 1
1 129 . 5 1 1 A 19 19 ASP HA H 19 5.198 5.158 0.040 1
1 132 . 5 1 1 A 19 19 ASP N N 19 117.708 120.762 -3.054 1
1 133 . 5 1 1 A 20 20 PRO HA H 20 4.005 4.483 -0.478 1
1 140 . 5 1 1 A 21 21 ASP H H 21 9.391 8.404 0.987 1
1 141 . 5 1 1 A 21 21 ASP HA H 21 4.473 4.430 0.043 1
1 144 . 5 1 1 A 21 21 ASP N N 21 120.881 118.836 2.045 1
1 145 . 5 1 1 A 22 22 ASN H H 22 7.663 8.139 -0.476 1
1 146 . 5 1 1 A 22 22 ASN HA H 22 5.078 4.763 0.315 1
1 151 . 5 1 1 A 22 22 ASN N N 22 114.971 114.427 0.544 1
1 152 . 5 1 1 A 23 23 GLY H H 23 7.678 7.677 0.001 1
1 153 . 5 1 1 A 23 23 GLY HA2 H 23 4.165 4.061 0.104 1
1 154 . 5 1 1 A 23 23 GLY HA3 H 23 3.789 4.063 -0.274 1
1 155 . 5 1 1 A 23 23 GLY N N 23 105.605 105.777 -0.172 1
1 156 . 5 1 1 A 24 24 VAL H H 24 7.556 7.595 -0.039 1
1 157 . 5 1 1 A 24 24 VAL HA H 24 4.167 4.009 0.158 1
1 165 . 5 1 1 A 24 24 VAL N N 24 122.396 122.352 0.044 1
1 166 . 5 1 1 A 25 25 LYS H H 25 8.552 8.521 0.031 1
1 167 . 5 1 1 A 25 25 LYS HA H 25 4.414 4.343 0.071 1
1 174 . 5 1 1 A 25 25 LYS N N 25 128.930 127.171 1.759 1
1 175 . 5 1 1 A 26 26 PRO HA H 26 3.683 4.413 -0.730 1
1 180 . 5 1 1 A 27 27 GLY H H 27 8.708 8.408 0.300 1
1 181 . 5 1 1 A 27 27 GLY HA2 H 27 4.172 4.094 0.078 1
1 182 . 5 1 1 A 27 27 GLY HA3 H 27 3.419 4.095 -0.676 1
1 183 . 5 1 1 A 27 27 GLY N N 27 112.997 113.104 -0.107 1
1 184 . 5 1 1 A 28 28 THR H H 28 7.133 7.935 -0.802 1
1 185 . 5 1 1 A 28 28 THR HA H 28 4.197 4.645 -0.448 1
1 191 . 5 1 1 A 28 28 THR N N 28 117.317 115.669 1.648 1
1 192 . 5 1 1 A 29 29 SER H H 29 9.543 8.725 0.818 1
1 193 . 5 1 1 A 29 29 SER HA H 29 3.951 4.502 -0.551 1
1 195 . 5 1 1 A 29 29 SER N N 29 127.007 122.230 4.777 1
1 196 . 5 1 1 A 30 30 PHE H H 30 9.546 9.022 0.524 1
1 197 . 5 1 1 A 30 30 PHE HA H 30 3.288 4.012 -0.724 1
1 205 . 5 1 1 A 30 30 PHE N N 30 124.800 123.887 0.913 1
1 206 . 5 1 1 A 31 31 ASP H H 31 7.915 8.338 -0.423 1
1 207 . 5 1 1 A 31 31 ASP HA H 31 4.005 4.553 -0.548 1
1 210 . 5 1 1 A 31 31 ASP N N 31 114.735 118.834 -4.099 1
1 211 . 5 1 1 A 32 32 ASP H H 32 7.330 7.823 -0.493 1
1 212 . 5 1 1 A 32 32 ASP HA H 32 4.524 4.627 -0.103 1
1 215 . 5 1 1 A 32 32 ASP N N 32 117.008 117.674 -0.666 1
1 216 . 5 1 1 A 33 33 LEU H H 33 6.802 7.390 -0.588 1
1 217 . 5 1 1 A 33 33 LEU HA H 33 3.773 4.153 -0.380 1
1 227 . 5 1 1 A 33 33 LEU N N 33 123.359 122.044 1.315 1
1 228 . 5 1 1 A 34 34 PRO HA H 34 4.277 4.523 -0.246 1
1 235 . 5 1 1 A 35 35 ALA H H 35 7.896 8.346 -0.450 1
1 236 . 5 1 1 A 35 35 ALA HA H 35 3.932 4.195 -0.263 1
1 240 . 5 1 1 A 35 35 ALA N N 35 129.585 121.308 8.277 1
1 241 . 5 1 1 A 36 36 ASP H H 36 8.216 8.034 0.182 1
1 242 . 5 1 1 A 36 36 ASP HA H 36 4.555 4.812 -0.257 1
1 245 . 5 1 1 A 36 36 ASP N N 36 112.620 115.258 -2.638 1
1 246 . 5 1 1 A 37 37 TRP H H 37 7.625 7.704 -0.079 1
1 247 . 5 1 1 A 37 37 TRP HA H 37 4.112 4.695 -0.583 1
1 256 . 5 1 1 A 37 37 TRP N N 37 123.123 122.872 0.251 1
1 257 . 5 1 1 A 38 38 VAL H H 38 6.310 8.688 -2.378 1
1 258 . 5 1 1 A 38 38 VAL HA H 38 4.395 4.624 -0.229 1
1 266 . 5 1 1 A 38 38 VAL N N 38 117.596 119.742 -2.146 1
1 267 . 5 1 1 A 39 39 CYS H H 39 8.991 8.666 0.325 1
1 268 . 5 1 1 A 39 39 CYS HA H 39 3.817 4.276 -0.459 1
1 271 . 5 1 1 A 39 39 CYS N N 39 121.584 121.621 -0.037 1
1 272 . 5 1 1 A 40 40 PRO HA H 40 4.075 4.390 -0.315 1
1 279 . 5 1 1 A 41 41 VAL H H 41 8.754 7.769 0.985 1
1 280 . 5 1 1 A 41 41 VAL HA H 41 3.893 3.710 0.183 1
1 288 . 5 1 1 A 41 41 VAL N N 41 123.419 115.431 7.988 1
1 289 . 5 1 1 A 42 42 CYS H H 42 8.824 8.080 0.744 1
1 290 . 5 1 1 A 42 42 CYS HA H 42 4.893 4.611 0.282 1
1 293 . 5 1 1 A 42 42 CYS N N 42 121.044 115.182 5.862 1
1 294 . 5 1 1 A 43 43 GLY H H 43 7.892 7.571 0.321 1
1 295 . 5 1 1 A 43 43 GLY HA2 H 43 3.526 3.914 -0.388 1
1 296 . 5 1 1 A 43 43 GLY HA3 H 43 4.055 3.976 0.079 1
1 297 . 5 1 1 A 43 43 GLY N N 43 112.916 108.535 4.381 1
1 298 . 5 1 1 A 44 44 ALA H H 44 9.156 7.787 1.369 1
1 299 . 5 1 1 A 44 44 ALA HA H 44 4.395 4.684 -0.289 1
1 303 . 5 1 1 A 44 44 ALA N N 44 129.120 123.211 5.909 1
1 310 . 5 1 1 A 46 46 LYS H H 46 8.229 8.821 -0.592 1
1 311 . 5 1 1 A 46 46 LYS HA H 46 4.117 4.414 -0.297 1
1 320 . 5 1 1 A 46 46 LYS N N 46 118.692 120.323 -1.631 1
1 321 . 5 1 1 A 47 47 SER H H 47 8.070 8.267 -0.197 1
1 322 . 5 1 1 A 47 47 SER HA H 47 4.377 4.654 -0.277 1
1 323 . 5 1 1 A 47 47 SER N N 47 110.772 115.936 -5.164 1
1 324 . 5 1 1 A 48 48 GLU H H 48 8.476 8.374 0.102 1
1 329 . 5 1 1 A 48 48 GLU N N 48 119.845 116.168 3.677 1
1 330 . 5 1 1 A 49 49 PHE H H 49 8.116 7.747 0.369 1
1 331 . 5 1 1 A 49 49 PHE HA H 49 5.436 4.809 0.627 1
1 339 . 5 1 1 A 49 49 PHE N N 49 122.914 121.026 1.888 1
1 340 . 5 1 1 A 50 50 GLU H H 50 9.055 9.076 -0.021 1
1 345 . 5 1 1 A 50 50 GLU N N 50 119.977 121.171 -1.194 1
1 346 . 5 1 1 A 51 51 ALA H H 51 8.557 8.820 -0.263 1
1 347 . 5 1 1 A 51 51 ALA HA H 51 3.306 4.105 -0.799 1
1 351 . 5 1 1 A 51 51 ALA N N 51 127.085 123.801 3.284 1
1 5 . 6 1 1 A 2 2 LYS HA H 2 4.325 4.015 0.310 1
1 12 . 6 1 1 A 3 3 LYS H H 3 8.325 nan 8.325 1
1 13 . 6 1 1 A 3 3 LYS HA H 3 4.881 4.732 0.149 1
1 22 . 6 1 1 A 3 3 LYS N N 3 121.705 119.986 1.719 1
1 23 . 6 1 1 A 4 4 TYR H H 4 8.556 nan 8.556 1
1 24 . 6 1 1 A 4 4 TYR HA H 4 4.931 5.688 -0.757 1
1 31 . 6 1 1 A 4 4 TYR N N 4 120.748 117.871 2.877 1
1 32 . 6 1 1 A 5 5 VAL H H 5 9.498 nan 9.498 1
1 33 . 6 1 1 A 5 5 VAL HA H 5 5.132 5.071 0.061 1
1 41 . 6 1 1 A 5 5 VAL N N 5 120.677 117.524 3.153 1
1 42 . 6 1 1 A 6 6 CYS H H 6 9.438 nan 9.438 1
1 43 . 6 1 1 A 6 6 CYS HA H 6 2.742 4.010 -1.268 1
1 46 . 6 1 1 A 6 6 CYS N N 6 131.360 125.725 5.635 1
1 47 . 6 1 1 A 7 7 THR H H 7 8.289 nan 8.289 1
1 48 . 6 1 1 A 7 7 THR HA H 7 4.365 4.421 -0.056 1
1 53 . 6 1 1 A 7 7 THR N N 7 122.494 118.540 3.954 1
1 54 . 6 1 1 A 8 8 VAL H H 8 9.102 nan 9.102 1
1 55 . 6 1 1 A 8 8 VAL HA H 8 3.934 4.137 -0.203 1
1 63 . 6 1 1 A 8 8 VAL N N 8 126.451 119.897 6.554 1
1 64 . 6 1 1 A 9 9 CYS H H 9 9.195 nan 9.195 1
1 65 . 6 1 1 A 9 9 CYS HA H 9 4.980 4.616 0.364 1
1 68 . 6 1 1 A 9 9 CYS N N 9 121.274 115.861 5.413 1
1 69 . 6 1 1 A 10 10 GLY H H 10 7.821 7.818 0.003 1
1 70 . 6 1 1 A 10 10 GLY HA2 H 10 3.663 4.058 -0.395 1
1 71 . 6 1 1 A 10 10 GLY HA3 H 10 4.251 4.065 0.186 1
1 72 . 6 1 1 A 10 10 GLY N N 10 113.067 109.151 3.916 1
1 73 . 6 1 1 A 11 11 TYR H H 11 9.393 nan 9.393 1
1 74 . 6 1 1 A 11 11 TYR HA H 11 4.213 4.995 -0.782 1
1 81 . 6 1 1 A 11 11 TYR N N 11 128.218 121.177 7.041 1
1 82 . 6 1 1 A 12 12 GLU H H 12 7.456 nan 7.456 1
1 83 . 6 1 1 A 12 12 GLU HA H 12 4.887 4.682 0.205 1
1 88 . 6 1 1 A 12 12 GLU N N 12 127.210 120.831 6.379 1
1 89 . 6 1 1 A 13 13 TYR H H 13 9.540 nan 9.540 1
1 90 . 6 1 1 A 13 13 TYR HA H 13 4.445 4.531 -0.086 1
1 98 . 6 1 1 A 13 13 TYR N N 13 125.578 122.483 3.095 1
1 99 . 6 1 1 A 14 14 ASP H H 14 8.390 nan 8.390 1
1 100 . 6 1 1 A 14 14 ASP HA H 14 5.013 5.049 -0.036 1
1 103 . 6 1 1 A 14 14 ASP N N 14 128.076 127.684 0.392 1
1 104 . 6 1 1 A 15 15 PRO HA H 15 4.008 4.189 -0.181 1
1 111 . 6 1 1 A 16 16 ALA H H 16 7.897 nan 7.897 1
1 112 . 6 1 1 A 16 16 ALA HA H 16 3.910 4.126 -0.216 1
1 116 . 6 1 1 A 16 16 ALA N N 16 116.302 120.774 -4.472 1
1 117 . 6 1 1 A 17 17 GLU H H 17 7.388 nan 7.388 1
1 118 . 6 1 1 A 17 17 GLU HA H 17 4.354 4.436 -0.082 1
1 123 . 6 1 1 A 17 17 GLU N N 17 114.338 114.140 0.198 1
1 124 . 6 1 1 A 18 18 GLY H H 18 8.069 7.400 0.669 1
1 125 . 6 1 1 A 18 18 GLY HA2 H 18 3.963 3.996 -0.033 1
1 126 . 6 1 1 A 18 18 GLY HA3 H 18 3.510 4.029 -0.519 1
1 127 . 6 1 1 A 18 18 GLY N N 18 105.574 109.415 -3.841 1
1 128 . 6 1 1 A 19 19 ASP H H 19 8.141 nan 8.141 1
1 129 . 6 1 1 A 19 19 ASP HA H 19 5.198 5.222 -0.024 1
1 132 . 6 1 1 A 19 19 ASP N N 19 117.708 120.389 -2.681 1
1 133 . 6 1 1 A 20 20 PRO HA H 20 4.005 4.500 -0.495 1
1 140 . 6 1 1 A 21 21 ASP H H 21 9.391 nan 9.391 1
1 141 . 6 1 1 A 21 21 ASP HA H 21 4.473 4.400 0.073 1
1 144 . 6 1 1 A 21 21 ASP N N 21 120.881 119.574 1.307 1
1 145 . 6 1 1 A 22 22 ASN H H 22 7.663 nan 7.663 1
1 146 . 6 1 1 A 22 22 ASN HA H 22 5.078 5.095 -0.017 1
1 151 . 6 1 1 A 22 22 ASN N N 22 114.971 115.299 -0.328 1
1 152 . 6 1 1 A 23 23 GLY H H 23 7.678 8.739 -1.061 1
1 153 . 6 1 1 A 23 23 GLY HA2 H 23 4.165 3.843 0.322 1
1 154 . 6 1 1 A 23 23 GLY HA3 H 23 3.789 3.844 -0.055 1
1 155 . 6 1 1 A 23 23 GLY N N 23 105.605 108.567 -2.962 1
1 156 . 6 1 1 A 24 24 VAL H H 24 7.556 nan 7.556 1
1 157 . 6 1 1 A 24 24 VAL HA H 24 4.167 4.615 -0.448 1
1 165 . 6 1 1 A 24 24 VAL N N 24 122.396 120.233 2.163 1
1 166 . 6 1 1 A 25 25 LYS H H 25 8.552 nan 8.552 1
1 167 . 6 1 1 A 25 25 LYS HA H 25 4.414 4.656 -0.242 1
1 174 . 6 1 1 A 25 25 LYS N N 25 128.930 126.249 2.681 1
1 175 . 6 1 1 A 26 26 PRO HA H 26 3.683 4.365 -0.682 1
1 180 . 6 1 1 A 27 27 GLY H H 27 8.708 8.810 -0.102 1
1 181 . 6 1 1 A 27 27 GLY HA2 H 27 4.172 4.008 0.164 1
1 182 . 6 1 1 A 27 27 GLY HA3 H 27 3.419 4.014 -0.595 1
1 183 . 6 1 1 A 27 27 GLY N N 27 112.997 112.808 0.189 1
1 184 . 6 1 1 A 28 28 THR H H 28 7.133 nan 7.133 1
1 185 . 6 1 1 A 28 28 THR HA H 28 4.197 4.694 -0.497 1
1 191 . 6 1 1 A 28 28 THR N N 28 117.317 114.615 2.702 1
1 192 . 6 1 1 A 29 29 SER H H 29 9.543 nan 9.543 1
1 193 . 6 1 1 A 29 29 SER HA H 29 3.951 4.539 -0.588 1
1 195 . 6 1 1 A 29 29 SER N N 29 127.007 121.835 5.172 1
1 196 . 6 1 1 A 30 30 PHE H H 30 9.546 nan 9.546 1
1 197 . 6 1 1 A 30 30 PHE HA H 30 3.288 4.019 -0.731 1
1 205 . 6 1 1 A 30 30 PHE N N 30 124.800 124.359 0.441 1
1 206 . 6 1 1 A 31 31 ASP H H 31 7.915 nan 7.915 1
1 207 . 6 1 1 A 31 31 ASP HA H 31 4.005 4.539 -0.534 1
1 210 . 6 1 1 A 31 31 ASP N N 31 114.735 118.726 -3.991 1
1 211 . 6 1 1 A 32 32 ASP H H 32 7.330 nan 7.330 1
1 212 . 6 1 1 A 32 32 ASP HA H 32 4.524 4.732 -0.208 1
1 215 . 6 1 1 A 32 32 ASP N N 32 117.008 117.703 -0.695 1
1 216 . 6 1 1 A 33 33 LEU H H 33 6.802 nan 6.802 1
1 217 . 6 1 1 A 33 33 LEU HA H 33 3.773 4.360 -0.587 1
1 227 . 6 1 1 A 33 33 LEU N N 33 123.359 121.852 1.507 1
1 228 . 6 1 1 A 34 34 PRO HA H 34 4.277 4.610 -0.333 1
1 235 . 6 1 1 A 35 35 ALA H H 35 7.896 nan 7.896 1
1 236 . 6 1 1 A 35 35 ALA HA H 35 3.932 4.370 -0.438 1
1 240 . 6 1 1 A 35 35 ALA N N 35 129.585 122.834 6.751 1
1 241 . 6 1 1 A 36 36 ASP H H 36 8.216 nan 8.216 1
1 242 . 6 1 1 A 36 36 ASP HA H 36 4.555 4.743 -0.188 1
1 245 . 6 1 1 A 36 36 ASP N N 36 112.620 115.874 -3.254 1
1 246 . 6 1 1 A 37 37 TRP H H 37 7.625 nan 7.625 1
1 247 . 6 1 1 A 37 37 TRP HA H 37 4.112 4.947 -0.835 1
1 256 . 6 1 1 A 37 37 TRP N N 37 123.123 122.205 0.918 1
1 257 . 6 1 1 A 38 38 VAL H H 38 6.310 nan 6.310 1
1 258 . 6 1 1 A 38 38 VAL HA H 38 4.395 4.686 -0.291 1
1 266 . 6 1 1 A 38 38 VAL N N 38 117.596 119.141 -1.545 1
1 267 . 6 1 1 A 39 39 CYS H H 39 8.991 nan 8.991 1
1 268 . 6 1 1 A 39 39 CYS HA H 39 3.817 4.366 -0.549 1
1 271 . 6 1 1 A 39 39 CYS N N 39 121.584 121.497 0.087 1
1 272 . 6 1 1 A 40 40 PRO HA H 40 4.075 4.336 -0.261 1
1 279 . 6 1 1 A 41 41 VAL H H 41 8.754 nan 8.754 1
1 280 . 6 1 1 A 41 41 VAL HA H 41 3.893 3.835 0.058 1
1 288 . 6 1 1 A 41 41 VAL N N 41 123.419 115.152 8.267 1
1 289 . 6 1 1 A 42 42 CYS H H 42 8.824 nan 8.824 1
1 290 . 6 1 1 A 42 42 CYS HA H 42 4.893 4.551 0.342 1
1 293 . 6 1 1 A 42 42 CYS N N 42 121.044 114.942 6.102 1
1 294 . 6 1 1 A 43 43 GLY H H 43 7.892 7.776 0.116 1
1 295 . 6 1 1 A 43 43 GLY HA2 H 43 3.526 3.880 -0.354 1
1 296 . 6 1 1 A 43 43 GLY HA3 H 43 4.055 3.951 0.104 1
1 297 . 6 1 1 A 43 43 GLY N N 43 112.916 109.198 3.718 1
1 298 . 6 1 1 A 44 44 ALA H H 44 9.156 nan 9.156 1
1 299 . 6 1 1 A 44 44 ALA HA H 44 4.395 4.817 -0.422 1
1 303 . 6 1 1 A 44 44 ALA N N 44 129.120 122.424 6.696 1
1 310 . 6 1 1 A 46 46 LYS H H 46 8.229 nan 8.229 1
1 311 . 6 1 1 A 46 46 LYS HA H 46 4.117 4.254 -0.137 1
1 320 . 6 1 1 A 46 46 LYS N N 46 118.692 122.548 -3.856 1
1 321 . 6 1 1 A 47 47 SER H H 47 8.070 nan 8.070 1
1 322 . 6 1 1 A 47 47 SER HA H 47 4.377 4.409 -0.032 1
1 323 . 6 1 1 A 47 47 SER N N 47 110.772 114.593 -3.821 1
1 324 . 6 1 1 A 48 48 GLU H H 48 8.476 nan 8.476 1
1 329 . 6 1 1 A 48 48 GLU N N 48 119.845 117.963 1.882 1
1 330 . 6 1 1 A 49 49 PHE H H 49 8.116 nan 8.116 1
1 331 . 6 1 1 A 49 49 PHE HA H 49 5.436 5.454 -0.018 1
1 339 . 6 1 1 A 49 49 PHE N N 49 122.914 119.699 3.215 1
1 340 . 6 1 1 A 50 50 GLU H H 50 9.055 nan 9.055 1
1 345 . 6 1 1 A 50 50 GLU N N 50 119.977 120.932 -0.955 1
1 346 . 6 1 1 A 51 51 ALA H H 51 8.557 nan 8.557 1
1 347 . 6 1 1 A 51 51 ALA HA H 51 3.306 4.283 -0.977 1
1 351 . 6 1 1 A 51 51 ALA N N 51 127.085 123.823 3.262 1
1 5 . 7 1 1 A 2 2 LYS HA H 2 4.325 4.826 -0.501 1
1 12 . 7 1 1 A 3 3 LYS H H 3 8.325 9.009 -0.684 1
1 13 . 7 1 1 A 3 3 LYS HA H 3 4.881 4.857 0.024 1
1 22 . 7 1 1 A 3 3 LYS N N 3 121.705 124.608 -2.903 1
1 23 . 7 1 1 A 4 4 TYR H H 4 8.556 8.621 -0.065 1
1 24 . 7 1 1 A 4 4 TYR HA H 4 4.931 5.522 -0.591 1
1 31 . 7 1 1 A 4 4 TYR N N 4 120.748 117.658 3.090 1
1 32 . 7 1 1 A 5 5 VAL H H 5 9.498 8.845 0.653 1
1 33 . 7 1 1 A 5 5 VAL HA H 5 5.132 5.175 -0.043 1
1 41 . 7 1 1 A 5 5 VAL N N 5 120.677 117.211 3.466 1
1 42 . 7 1 1 A 6 6 CYS H H 6 9.438 8.860 0.578 1
1 43 . 7 1 1 A 6 6 CYS HA H 6 2.742 3.697 -0.955 1
1 46 . 7 1 1 A 6 6 CYS N N 6 131.360 125.051 6.309 1
1 47 . 7 1 1 A 7 7 THR H H 7 8.289 8.799 -0.510 1
1 48 . 7 1 1 A 7 7 THR HA H 7 4.365 4.337 0.028 1
1 53 . 7 1 1 A 7 7 THR N N 7 122.494 119.904 2.590 1
1 54 . 7 1 1 A 8 8 VAL H H 8 9.102 7.727 1.375 1
1 55 . 7 1 1 A 8 8 VAL HA H 8 3.934 3.916 0.018 1
1 63 . 7 1 1 A 8 8 VAL N N 8 126.451 120.672 5.779 1
1 64 . 7 1 1 A 9 9 CYS H H 9 9.195 7.887 1.308 1
1 65 . 7 1 1 A 9 9 CYS HA H 9 4.980 4.494 0.486 1
1 68 . 7 1 1 A 9 9 CYS N N 9 121.274 116.679 4.595 1
1 69 . 7 1 1 A 10 10 GLY H H 10 7.821 7.992 -0.171 1
1 70 . 7 1 1 A 10 10 GLY HA2 H 10 3.663 4.038 -0.375 1
1 71 . 7 1 1 A 10 10 GLY HA3 H 10 4.251 4.063 0.188 1
1 72 . 7 1 1 A 10 10 GLY N N 10 113.067 107.856 5.211 1
1 73 . 7 1 1 A 11 11 TYR H H 11 9.393 8.011 1.382 1
1 74 . 7 1 1 A 11 11 TYR HA H 11 4.213 4.531 -0.318 1
1 81 . 7 1 1 A 11 11 TYR N N 11 128.218 122.273 5.945 1
1 82 . 7 1 1 A 12 12 GLU H H 12 7.456 9.107 -1.651 1
1 83 . 7 1 1 A 12 12 GLU HA H 12 4.887 4.978 -0.091 1
1 88 . 7 1 1 A 12 12 GLU N N 12 127.210 123.440 3.770 1
1 89 . 7 1 1 A 13 13 TYR H H 13 9.540 8.982 0.558 1
1 90 . 7 1 1 A 13 13 TYR HA H 13 4.445 4.782 -0.337 1
1 98 . 7 1 1 A 13 13 TYR N N 13 125.578 126.135 -0.557 1
1 99 . 7 1 1 A 14 14 ASP H H 14 8.390 8.694 -0.304 1
1 100 . 7 1 1 A 14 14 ASP HA H 14 5.013 4.890 0.123 1
1 103 . 7 1 1 A 14 14 ASP N N 14 128.076 128.391 -0.315 1
1 104 . 7 1 1 A 15 15 PRO HA H 15 4.008 4.155 -0.147 1
1 111 . 7 1 1 A 16 16 ALA H H 16 7.897 8.298 -0.401 1
1 112 . 7 1 1 A 16 16 ALA HA H 16 3.910 3.967 -0.057 1
1 116 . 7 1 1 A 16 16 ALA N N 16 116.302 122.003 -5.701 1
1 117 . 7 1 1 A 17 17 GLU H H 17 7.388 7.976 -0.588 1
1 118 . 7 1 1 A 17 17 GLU HA H 17 4.354 4.487 -0.133 1
1 123 . 7 1 1 A 17 17 GLU N N 17 114.338 112.828 1.510 1
1 124 . 7 1 1 A 18 18 GLY H H 18 8.069 7.447 0.622 1
1 125 . 7 1 1 A 18 18 GLY HA2 H 18 3.963 4.007 -0.044 1
1 126 . 7 1 1 A 18 18 GLY HA3 H 18 3.510 4.018 -0.508 1
1 127 . 7 1 1 A 18 18 GLY N N 18 105.574 109.627 -4.053 1
1 128 . 7 1 1 A 19 19 ASP H H 19 8.141 8.580 -0.439 1
1 129 . 7 1 1 A 19 19 ASP HA H 19 5.198 5.356 -0.158 1
1 132 . 7 1 1 A 19 19 ASP N N 19 117.708 122.821 -5.113 1
1 133 . 7 1 1 A 20 20 PRO HA H 20 4.005 4.391 -0.386 1
1 140 . 7 1 1 A 21 21 ASP H H 21 9.391 8.425 0.966 1
1 141 . 7 1 1 A 21 21 ASP HA H 21 4.473 4.354 0.119 1
1 144 . 7 1 1 A 21 21 ASP N N 21 120.881 117.626 3.255 1
1 145 . 7 1 1 A 22 22 ASN H H 22 7.663 8.050 -0.387 1
1 146 . 7 1 1 A 22 22 ASN HA H 22 5.078 4.558 0.520 1
1 151 . 7 1 1 A 22 22 ASN N N 22 114.971 115.224 -0.253 1
1 152 . 7 1 1 A 23 23 GLY H H 23 7.678 7.883 -0.205 1
1 153 . 7 1 1 A 23 23 GLY HA2 H 23 4.165 4.080 0.085 1
1 154 . 7 1 1 A 23 23 GLY HA3 H 23 3.789 4.083 -0.294 1
1 155 . 7 1 1 A 23 23 GLY N N 23 105.605 105.654 -0.049 1
1 156 . 7 1 1 A 24 24 VAL H H 24 7.556 7.917 -0.361 1
1 157 . 7 1 1 A 24 24 VAL HA H 24 4.167 4.632 -0.465 1
1 165 . 7 1 1 A 24 24 VAL N N 24 122.396 119.550 2.846 1
1 166 . 7 1 1 A 25 25 LYS H H 25 8.552 8.534 0.018 1
1 167 . 7 1 1 A 25 25 LYS HA H 25 4.414 4.302 0.112 1
1 174 . 7 1 1 A 25 25 LYS N N 25 128.930 126.169 2.761 1
1 175 . 7 1 1 A 26 26 PRO HA H 26 3.683 4.913 -1.230 1
1 180 . 7 1 1 A 27 27 GLY H H 27 8.708 7.977 0.731 1
1 181 . 7 1 1 A 27 27 GLY HA2 H 27 4.172 4.134 0.038 1
1 182 . 7 1 1 A 27 27 GLY HA3 H 27 3.419 4.135 -0.716 1
1 183 . 7 1 1 A 27 27 GLY N N 27 112.997 107.090 5.907 1
1 184 . 7 1 1 A 28 28 THR H H 28 7.133 8.843 -1.710 1
1 185 . 7 1 1 A 28 28 THR HA H 28 4.197 4.858 -0.661 1
1 191 . 7 1 1 A 28 28 THR N N 28 117.317 118.016 -0.699 1
1 192 . 7 1 1 A 29 29 SER H H 29 9.543 8.944 0.599 1
1 193 . 7 1 1 A 29 29 SER HA H 29 3.951 4.501 -0.550 1
1 195 . 7 1 1 A 29 29 SER N N 29 127.007 123.131 3.876 1
1 196 . 7 1 1 A 30 30 PHE H H 30 9.546 9.047 0.499 1
1 197 . 7 1 1 A 30 30 PHE HA H 30 3.288 4.018 -0.730 1
1 205 . 7 1 1 A 30 30 PHE N N 30 124.800 123.816 0.984 1
1 206 . 7 1 1 A 31 31 ASP H H 31 7.915 8.544 -0.629 1
1 207 . 7 1 1 A 31 31 ASP HA H 31 4.005 4.442 -0.437 1
1 210 . 7 1 1 A 31 31 ASP N N 31 114.735 118.415 -3.680 1
1 211 . 7 1 1 A 32 32 ASP H H 32 7.330 7.821 -0.491 1
1 212 . 7 1 1 A 32 32 ASP HA H 32 4.524 4.585 -0.061 1
1 215 . 7 1 1 A 32 32 ASP N N 32 117.008 118.317 -1.309 1
1 216 . 7 1 1 A 33 33 LEU H H 33 6.802 7.511 -0.709 1
1 217 . 7 1 1 A 33 33 LEU HA H 33 3.773 4.129 -0.356 1
1 227 . 7 1 1 A 33 33 LEU N N 33 123.359 122.165 1.194 1
1 228 . 7 1 1 A 34 34 PRO HA H 34 4.277 4.540 -0.263 1
1 235 . 7 1 1 A 35 35 ALA H H 35 7.896 8.446 -0.550 1
1 236 . 7 1 1 A 35 35 ALA HA H 35 3.932 4.340 -0.408 1
1 240 . 7 1 1 A 35 35 ALA N N 35 129.585 122.219 7.366 1
1 241 . 7 1 1 A 36 36 ASP H H 36 8.216 8.427 -0.211 1
1 242 . 7 1 1 A 36 36 ASP HA H 36 4.555 4.739 -0.184 1
1 245 . 7 1 1 A 36 36 ASP N N 36 112.620 116.142 -3.522 1
1 246 . 7 1 1 A 37 37 TRP H H 37 7.625 7.734 -0.109 1
1 247 . 7 1 1 A 37 37 TRP HA H 37 4.112 4.692 -0.580 1
1 256 . 7 1 1 A 37 37 TRP N N 37 123.123 122.581 0.542 1
1 257 . 7 1 1 A 38 38 VAL H H 38 6.310 8.667 -2.357 1
1 258 . 7 1 1 A 38 38 VAL HA H 38 4.395 4.791 -0.396 1
1 266 . 7 1 1 A 38 38 VAL N N 38 117.596 119.785 -2.189 1
1 267 . 7 1 1 A 39 39 CYS H H 39 8.991 8.651 0.340 1
1 268 . 7 1 1 A 39 39 CYS HA H 39 3.817 4.356 -0.539 1
1 271 . 7 1 1 A 39 39 CYS N N 39 121.584 121.448 0.136 1
1 272 . 7 1 1 A 40 40 PRO HA H 40 4.075 4.402 -0.327 1
1 279 . 7 1 1 A 41 41 VAL H H 41 8.754 7.804 0.950 1
1 280 . 7 1 1 A 41 41 VAL HA H 41 3.893 3.877 0.016 1
1 288 . 7 1 1 A 41 41 VAL N N 41 123.419 115.091 8.328 1
1 289 . 7 1 1 A 42 42 CYS H H 42 8.824 8.101 0.723 1
1 290 . 7 1 1 A 42 42 CYS HA H 42 4.893 4.664 0.229 1
1 293 . 7 1 1 A 42 42 CYS N N 42 121.044 115.124 5.920 1
1 294 . 7 1 1 A 43 43 GLY H H 43 7.892 7.748 0.144 1
1 295 . 7 1 1 A 43 43 GLY HA2 H 43 3.526 3.933 -0.407 1
1 296 . 7 1 1 A 43 43 GLY HA3 H 43 4.055 3.991 0.064 1
1 297 . 7 1 1 A 43 43 GLY N N 43 112.916 109.141 3.775 1
1 298 . 7 1 1 A 44 44 ALA H H 44 9.156 7.872 1.284 1
1 299 . 7 1 1 A 44 44 ALA HA H 44 4.395 4.715 -0.320 1
1 303 . 7 1 1 A 44 44 ALA N N 44 129.120 123.214 5.906 1
1 310 . 7 1 1 A 46 46 LYS H H 46 8.229 8.770 -0.541 1
1 311 . 7 1 1 A 46 46 LYS HA H 46 4.117 4.468 -0.351 1
1 320 . 7 1 1 A 46 46 LYS N N 46 118.692 120.437 -1.745 1
1 321 . 7 1 1 A 47 47 SER H H 47 8.070 8.054 0.016 1
1 322 . 7 1 1 A 47 47 SER HA H 47 4.377 4.571 -0.194 1
1 323 . 7 1 1 A 47 47 SER N N 47 110.772 114.014 -3.242 1
1 324 . 7 1 1 A 48 48 GLU H H 48 8.476 7.894 0.582 1
1 329 . 7 1 1 A 48 48 GLU N N 48 119.845 118.582 1.263 1
1 330 . 7 1 1 A 49 49 PHE H H 49 8.116 7.774 0.342 1
1 331 . 7 1 1 A 49 49 PHE HA H 49 5.436 5.366 0.070 1
1 339 . 7 1 1 A 49 49 PHE N N 49 122.914 119.687 3.227 1
1 340 . 7 1 1 A 50 50 GLU H H 50 9.055 8.969 0.086 1
1 345 . 7 1 1 A 50 50 GLU N N 50 119.977 122.794 -2.817 1
1 346 . 7 1 1 A 51 51 ALA H H 51 8.557 8.919 -0.362 1
1 347 . 7 1 1 A 51 51 ALA HA H 51 3.306 4.099 -0.793 1
1 351 . 7 1 1 A 51 51 ALA N N 51 127.085 125.352 1.733 1
1 5 . 8 1 1 A 2 2 LYS HA H 2 4.325 4.394 -0.069 1
1 12 . 8 1 1 A 3 3 LYS H H 3 8.325 7.614 0.711 1
1 13 . 8 1 1 A 3 3 LYS HA H 3 4.881 4.500 0.381 1
1 22 . 8 1 1 A 3 3 LYS N N 3 121.705 120.587 1.118 1
1 23 . 8 1 1 A 4 4 TYR H H 4 8.556 9.033 -0.477 1
1 24 . 8 1 1 A 4 4 TYR HA H 4 4.931 5.210 -0.279 1
1 31 . 8 1 1 A 4 4 TYR N N 4 120.748 123.415 -2.667 1
1 32 . 8 1 1 A 5 5 VAL H H 5 9.498 8.860 0.638 1
1 33 . 8 1 1 A 5 5 VAL HA H 5 5.132 4.968 0.164 1
1 41 . 8 1 1 A 5 5 VAL N N 5 120.677 120.501 0.176 1
1 42 . 8 1 1 A 6 6 CYS H H 6 9.438 8.898 0.540 1
1 43 . 8 1 1 A 6 6 CYS HA H 6 2.742 3.517 -0.775 1
1 46 . 8 1 1 A 6 6 CYS N N 6 131.360 124.647 6.713 1
1 47 . 8 1 1 A 7 7 THR H H 7 8.289 8.516 -0.227 1
1 48 . 8 1 1 A 7 7 THR HA H 7 4.365 4.724 -0.359 1
1 53 . 8 1 1 A 7 7 THR N N 7 122.494 115.952 6.542 1
1 54 . 8 1 1 A 8 8 VAL H H 8 9.102 7.849 1.253 1
1 55 . 8 1 1 A 8 8 VAL HA H 8 3.934 4.157 -0.223 1
1 63 . 8 1 1 A 8 8 VAL N N 8 126.451 119.858 6.593 1
1 64 . 8 1 1 A 9 9 CYS H H 9 9.195 8.078 1.117 1
1 65 . 8 1 1 A 9 9 CYS HA H 9 4.980 4.568 0.412 1
1 68 . 8 1 1 A 9 9 CYS N N 9 121.274 115.499 5.775 1
1 69 . 8 1 1 A 10 10 GLY H H 10 7.821 8.030 -0.209 1
1 70 . 8 1 1 A 10 10 GLY HA2 H 10 3.663 3.986 -0.323 1
1 71 . 8 1 1 A 10 10 GLY HA3 H 10 4.251 4.010 0.241 1
1 72 . 8 1 1 A 10 10 GLY N N 10 113.067 110.198 2.869 1
1 73 . 8 1 1 A 11 11 TYR H H 11 9.393 7.969 1.424 1
1 74 . 8 1 1 A 11 11 TYR HA H 11 4.213 4.493 -0.280 1
1 81 . 8 1 1 A 11 11 TYR N N 11 128.218 122.334 5.884 1
1 82 . 8 1 1 A 12 12 GLU H H 12 7.456 8.790 -1.334 1
1 83 . 8 1 1 A 12 12 GLU HA H 12 4.887 4.962 -0.075 1
1 88 . 8 1 1 A 12 12 GLU N N 12 127.210 123.703 3.507 1
1 89 . 8 1 1 A 13 13 TYR H H 13 9.540 8.850 0.690 1
1 90 . 8 1 1 A 13 13 TYR HA H 13 4.445 5.173 -0.728 1
1 98 . 8 1 1 A 13 13 TYR N N 13 125.578 125.640 -0.062 1
1 99 . 8 1 1 A 14 14 ASP H H 14 8.390 8.574 -0.184 1
1 100 . 8 1 1 A 14 14 ASP HA H 14 5.013 5.049 -0.036 1
1 103 . 8 1 1 A 14 14 ASP N N 14 128.076 128.547 -0.471 1
1 104 . 8 1 1 A 15 15 PRO HA H 15 4.008 4.289 -0.281 1
1 111 . 8 1 1 A 16 16 ALA H H 16 7.897 8.243 -0.346 1
1 112 . 8 1 1 A 16 16 ALA HA H 16 3.910 4.032 -0.122 1
1 116 . 8 1 1 A 16 16 ALA N N 16 116.302 120.287 -3.985 1
1 117 . 8 1 1 A 17 17 GLU H H 17 7.388 7.862 -0.474 1
1 118 . 8 1 1 A 17 17 GLU HA H 17 4.354 4.340 0.014 1
1 123 . 8 1 1 A 17 17 GLU N N 17 114.338 112.829 1.509 1
1 124 . 8 1 1 A 18 18 GLY H H 18 8.069 7.559 0.510 1
1 125 . 8 1 1 A 18 18 GLY HA2 H 18 3.963 3.856 0.107 1
1 126 . 8 1 1 A 18 18 GLY HA3 H 18 3.510 3.912 -0.402 1
1 127 . 8 1 1 A 18 18 GLY N N 18 105.574 111.046 -5.472 1
1 128 . 8 1 1 A 19 19 ASP H H 19 8.141 8.540 -0.399 1
1 129 . 8 1 1 A 19 19 ASP HA H 19 5.198 5.248 -0.050 1
1 132 . 8 1 1 A 19 19 ASP N N 19 117.708 121.843 -4.135 1
1 133 . 8 1 1 A 20 20 PRO HA H 20 4.005 4.470 -0.465 1
1 140 . 8 1 1 A 21 21 ASP H H 21 9.391 8.449 0.942 1
1 141 . 8 1 1 A 21 21 ASP HA H 21 4.473 4.432 0.041 1
1 144 . 8 1 1 A 21 21 ASP N N 21 120.881 118.101 2.780 1
1 145 . 8 1 1 A 22 22 ASN H H 22 7.663 7.887 -0.224 1
1 146 . 8 1 1 A 22 22 ASN HA H 22 5.078 4.884 0.194 1
1 151 . 8 1 1 A 22 22 ASN N N 22 114.971 115.222 -0.251 1
1 152 . 8 1 1 A 23 23 GLY H H 23 7.678 7.713 -0.035 1
1 153 . 8 1 1 A 23 23 GLY HA2 H 23 4.165 4.055 0.110 1
1 154 . 8 1 1 A 23 23 GLY HA3 H 23 3.789 4.056 -0.267 1
1 155 . 8 1 1 A 23 23 GLY N N 23 105.605 105.593 0.012 1
1 156 . 8 1 1 A 24 24 VAL H H 24 7.556 7.598 -0.042 1
1 157 . 8 1 1 A 24 24 VAL HA H 24 4.167 3.891 0.276 1
1 165 . 8 1 1 A 24 24 VAL N N 24 122.396 121.959 0.437 1
1 166 . 8 1 1 A 25 25 LYS H H 25 8.552 8.750 -0.198 1
1 167 . 8 1 1 A 25 25 LYS HA H 25 4.414 4.471 -0.057 1
1 174 . 8 1 1 A 25 25 LYS N N 25 128.930 125.927 3.003 1
1 175 . 8 1 1 A 26 26 PRO HA H 26 3.683 4.484 -0.801 1
1 180 . 8 1 1 A 27 27 GLY H H 27 8.708 8.272 0.436 1
1 181 . 8 1 1 A 27 27 GLY HA2 H 27 4.172 4.021 0.151 1
1 182 . 8 1 1 A 27 27 GLY HA3 H 27 3.419 4.023 -0.604 1
1 183 . 8 1 1 A 27 27 GLY N N 27 112.997 106.677 6.320 1
1 184 . 8 1 1 A 28 28 THR H H 28 7.133 7.474 -0.341 1
1 185 . 8 1 1 A 28 28 THR HA H 28 4.197 4.717 -0.520 1
1 191 . 8 1 1 A 28 28 THR N N 28 117.317 114.514 2.803 1
1 192 . 8 1 1 A 29 29 SER H H 29 9.543 8.869 0.674 1
1 193 . 8 1 1 A 29 29 SER HA H 29 3.951 4.480 -0.529 1
1 195 . 8 1 1 A 29 29 SER N N 29 127.007 122.741 4.266 1
1 196 . 8 1 1 A 30 30 PHE H H 30 9.546 8.997 0.549 1
1 197 . 8 1 1 A 30 30 PHE HA H 30 3.288 3.953 -0.665 1
1 205 . 8 1 1 A 30 30 PHE N N 30 124.800 123.579 1.221 1
1 206 . 8 1 1 A 31 31 ASP H H 31 7.915 8.066 -0.151 1
1 207 . 8 1 1 A 31 31 ASP HA H 31 4.005 4.503 -0.498 1
1 210 . 8 1 1 A 31 31 ASP N N 31 114.735 119.078 -4.343 1
1 211 . 8 1 1 A 32 32 ASP H H 32 7.330 7.850 -0.520 1
1 212 . 8 1 1 A 32 32 ASP HA H 32 4.524 4.610 -0.086 1
1 215 . 8 1 1 A 32 32 ASP N N 32 117.008 118.876 -1.868 1
1 216 . 8 1 1 A 33 33 LEU H H 33 6.802 7.412 -0.610 1
1 217 . 8 1 1 A 33 33 LEU HA H 33 3.773 4.163 -0.390 1
1 227 . 8 1 1 A 33 33 LEU N N 33 123.359 122.096 1.263 1
1 228 . 8 1 1 A 34 34 PRO HA H 34 4.277 4.576 -0.299 1
1 235 . 8 1 1 A 35 35 ALA H H 35 7.896 8.337 -0.441 1
1 236 . 8 1 1 A 35 35 ALA HA H 35 3.932 4.449 -0.517 1
1 240 . 8 1 1 A 35 35 ALA N N 35 129.585 121.270 8.315 1
1 241 . 8 1 1 A 36 36 ASP H H 36 8.216 7.896 0.320 1
1 242 . 8 1 1 A 36 36 ASP HA H 36 4.555 4.902 -0.347 1
1 245 . 8 1 1 A 36 36 ASP N N 36 112.620 117.055 -4.435 1
1 246 . 8 1 1 A 37 37 TRP H H 37 7.625 7.614 0.011 1
1 247 . 8 1 1 A 37 37 TRP HA H 37 4.112 4.566 -0.454 1
1 256 . 8 1 1 A 37 37 TRP N N 37 123.123 122.962 0.161 1
1 257 . 8 1 1 A 38 38 VAL H H 38 6.310 8.592 -2.282 1
1 258 . 8 1 1 A 38 38 VAL HA H 38 4.395 4.351 0.044 1
1 266 . 8 1 1 A 38 38 VAL N N 38 117.596 120.088 -2.492 1
1 267 . 8 1 1 A 39 39 CYS H H 39 8.991 8.570 0.421 1
1 268 . 8 1 1 A 39 39 CYS HA H 39 3.817 4.207 -0.390 1
1 271 . 8 1 1 A 39 39 CYS N N 39 121.584 121.800 -0.216 1
1 272 . 8 1 1 A 40 40 PRO HA H 40 4.075 4.434 -0.359 1
1 279 . 8 1 1 A 41 41 VAL H H 41 8.754 7.749 1.005 1
1 280 . 8 1 1 A 41 41 VAL HA H 41 3.893 3.816 0.077 1
1 288 . 8 1 1 A 41 41 VAL N N 41 123.419 114.982 8.437 1
1 289 . 8 1 1 A 42 42 CYS H H 42 8.824 8.024 0.800 1
1 290 . 8 1 1 A 42 42 CYS HA H 42 4.893 4.653 0.240 1
1 293 . 8 1 1 A 42 42 CYS N N 42 121.044 115.097 5.947 1
1 294 . 8 1 1 A 43 43 GLY H H 43 7.892 7.738 0.154 1
1 295 . 8 1 1 A 43 43 GLY HA2 H 43 3.526 3.902 -0.376 1
1 296 . 8 1 1 A 43 43 GLY HA3 H 43 4.055 3.973 0.082 1
1 297 . 8 1 1 A 43 43 GLY N N 43 112.916 109.128 3.788 1
1 298 . 8 1 1 A 44 44 ALA H H 44 9.156 7.839 1.317 1
1 299 . 8 1 1 A 44 44 ALA HA H 44 4.395 4.699 -0.304 1
1 303 . 8 1 1 A 44 44 ALA N N 44 129.120 123.196 5.924 1
1 310 . 8 1 1 A 46 46 LYS H H 46 8.229 8.586 -0.357 1
1 311 . 8 1 1 A 46 46 LYS HA H 46 4.117 3.943 0.174 1
1 320 . 8 1 1 A 46 46 LYS N N 46 118.692 122.486 -3.794 1
1 321 . 8 1 1 A 47 47 SER H H 47 8.070 7.970 0.100 1
1 322 . 8 1 1 A 47 47 SER HA H 47 4.377 4.352 0.025 1
1 323 . 8 1 1 A 47 47 SER N N 47 110.772 115.407 -4.635 1
1 324 . 8 1 1 A 48 48 GLU H H 48 8.476 7.774 0.702 1
1 329 . 8 1 1 A 48 48 GLU N N 48 119.845 120.164 -0.319 1
1 330 . 8 1 1 A 49 49 PHE H H 49 8.116 7.578 0.538 1
1 331 . 8 1 1 A 49 49 PHE HA H 49 5.436 4.809 0.627 1
1 339 . 8 1 1 A 49 49 PHE N N 49 122.914 119.989 2.925 1
1 340 . 8 1 1 A 50 50 GLU H H 50 9.055 8.912 0.143 1
1 345 . 8 1 1 A 50 50 GLU N N 50 119.977 120.702 -0.725 1
1 346 . 8 1 1 A 51 51 ALA H H 51 8.557 8.784 -0.227 1
1 347 . 8 1 1 A 51 51 ALA HA H 51 3.306 3.761 -0.455 1
1 351 . 8 1 1 A 51 51 ALA N N 51 127.085 124.130 2.955 1
1 5 . 9 1 1 A 2 2 LYS HA H 2 4.325 5.022 -0.697 1
1 12 . 9 1 1 A 3 3 LYS H H 3 8.325 8.739 -0.414 1
1 13 . 9 1 1 A 3 3 LYS HA H 3 4.881 5.216 -0.335 1
1 22 . 9 1 1 A 3 3 LYS N N 3 121.705 119.980 1.725 1
1 23 . 9 1 1 A 4 4 TYR H H 4 8.556 8.746 -0.190 1
1 24 . 9 1 1 A 4 4 TYR HA H 4 4.931 5.750 -0.819 1
1 31 . 9 1 1 A 4 4 TYR N N 4 120.748 123.021 -2.273 1
1 32 . 9 1 1 A 5 5 VAL H H 5 9.498 8.894 0.604 1
1 33 . 9 1 1 A 5 5 VAL HA H 5 5.132 4.966 0.166 1
1 41 . 9 1 1 A 5 5 VAL N N 5 120.677 117.333 3.344 1
1 42 . 9 1 1 A 6 6 CYS H H 6 9.438 8.785 0.653 1
1 43 . 9 1 1 A 6 6 CYS HA H 6 2.742 3.997 -1.255 1
1 46 . 9 1 1 A 6 6 CYS N N 6 131.360 125.332 6.028 1
1 47 . 9 1 1 A 7 7 THR H H 7 8.289 8.777 -0.488 1
1 48 . 9 1 1 A 7 7 THR HA H 7 4.365 4.337 0.028 1
1 53 . 9 1 1 A 7 7 THR N N 7 122.494 119.917 2.577 1
1 54 . 9 1 1 A 8 8 VAL H H 8 9.102 7.707 1.395 1
1 55 . 9 1 1 A 8 8 VAL HA H 8 3.934 3.821 0.113 1
1 63 . 9 1 1 A 8 8 VAL N N 8 126.451 120.584 5.867 1
1 64 . 9 1 1 A 9 9 CYS H H 9 9.195 8.046 1.149 1
1 65 . 9 1 1 A 9 9 CYS HA H 9 4.980 4.573 0.407 1
1 68 . 9 1 1 A 9 9 CYS N N 9 121.274 115.028 6.246 1
1 69 . 9 1 1 A 10 10 GLY H H 10 7.821 7.709 0.112 1
1 70 . 9 1 1 A 10 10 GLY HA2 H 10 3.663 4.062 -0.399 1
1 71 . 9 1 1 A 10 10 GLY HA3 H 10 4.251 4.075 0.176 1
1 72 . 9 1 1 A 10 10 GLY N N 10 113.067 109.811 3.256 1
1 73 . 9 1 1 A 11 11 TYR H H 11 9.393 7.985 1.408 1
1 74 . 9 1 1 A 11 11 TYR HA H 11 4.213 4.492 -0.279 1
1 81 . 9 1 1 A 11 11 TYR N N 11 128.218 122.222 5.996 1
1 82 . 9 1 1 A 12 12 GLU H H 12 7.456 8.609 -1.153 1
1 83 . 9 1 1 A 12 12 GLU HA H 12 4.887 4.613 0.274 1
1 88 . 9 1 1 A 12 12 GLU N N 12 127.210 125.084 2.126 1
1 89 . 9 1 1 A 13 13 TYR H H 13 9.540 8.843 0.697 1
1 90 . 9 1 1 A 13 13 TYR HA H 13 4.445 4.930 -0.485 1
1 98 . 9 1 1 A 13 13 TYR N N 13 125.578 126.329 -0.751 1
1 99 . 9 1 1 A 14 14 ASP H H 14 8.390 8.729 -0.339 1
1 100 . 9 1 1 A 14 14 ASP HA H 14 5.013 4.930 0.083 1
1 103 . 9 1 1 A 14 14 ASP N N 14 128.076 128.089 -0.013 1
1 104 . 9 1 1 A 15 15 PRO HA H 15 4.008 4.134 -0.126 1
1 111 . 9 1 1 A 16 16 ALA H H 16 7.897 8.230 -0.333 1
1 112 . 9 1 1 A 16 16 ALA HA H 16 3.910 4.155 -0.245 1
1 116 . 9 1 1 A 16 16 ALA N N 16 116.302 120.694 -4.392 1
1 117 . 9 1 1 A 17 17 GLU H H 17 7.388 7.801 -0.413 1
1 118 . 9 1 1 A 17 17 GLU HA H 17 4.354 4.441 -0.087 1
1 123 . 9 1 1 A 17 17 GLU N N 17 114.338 114.332 0.006 1
1 124 . 9 1 1 A 18 18 GLY H H 18 8.069 7.950 0.119 1
1 125 . 9 1 1 A 18 18 GLY HA2 H 18 3.963 3.907 0.056 1
1 126 . 9 1 1 A 18 18 GLY HA3 H 18 3.510 3.911 -0.401 1
1 127 . 9 1 1 A 18 18 GLY N N 18 105.574 110.714 -5.140 1
1 128 . 9 1 1 A 19 19 ASP H H 19 8.141 8.594 -0.453 1
1 129 . 9 1 1 A 19 19 ASP HA H 19 5.198 5.312 -0.114 1
1 132 . 9 1 1 A 19 19 ASP N N 19 117.708 123.623 -5.915 1
1 133 . 9 1 1 A 20 20 PRO HA H 20 4.005 4.528 -0.523 1
1 140 . 9 1 1 A 21 21 ASP H H 21 9.391 8.297 1.094 1
1 141 . 9 1 1 A 21 21 ASP HA H 21 4.473 4.490 -0.017 1
1 144 . 9 1 1 A 21 21 ASP N N 21 120.881 117.061 3.820 1
1 145 . 9 1 1 A 22 22 ASN H H 22 7.663 7.741 -0.078 1
1 146 . 9 1 1 A 22 22 ASN HA H 22 5.078 5.080 -0.002 1
1 151 . 9 1 1 A 22 22 ASN N N 22 114.971 115.323 -0.352 1
1 152 . 9 1 1 A 23 23 GLY H H 23 7.678 8.656 -0.978 1
1 153 . 9 1 1 A 23 23 GLY HA2 H 23 4.165 3.890 0.275 1
1 154 . 9 1 1 A 23 23 GLY HA3 H 23 3.789 3.891 -0.102 1
1 155 . 9 1 1 A 23 23 GLY N N 23 105.605 108.389 -2.784 1
1 156 . 9 1 1 A 24 24 VAL H H 24 7.556 7.917 -0.361 1
1 157 . 9 1 1 A 24 24 VAL HA H 24 4.167 4.659 -0.492 1
1 165 . 9 1 1 A 24 24 VAL N N 24 122.396 121.991 0.405 1
1 166 . 9 1 1 A 25 25 LYS H H 25 8.552 8.494 0.058 1
1 167 . 9 1 1 A 25 25 LYS HA H 25 4.414 4.725 -0.311 1
1 174 . 9 1 1 A 25 25 LYS N N 25 128.930 125.772 3.158 1
1 175 . 9 1 1 A 26 26 PRO HA H 26 3.683 4.466 -0.783 1
1 180 . 9 1 1 A 27 27 GLY H H 27 8.708 8.363 0.345 1
1 181 . 9 1 1 A 27 27 GLY HA2 H 27 4.172 4.063 0.109 1
1 182 . 9 1 1 A 27 27 GLY HA3 H 27 3.419 4.071 -0.652 1
1 183 . 9 1 1 A 27 27 GLY N N 27 112.997 112.964 0.033 1
1 184 . 9 1 1 A 28 28 THR H H 28 7.133 7.926 -0.793 1
1 185 . 9 1 1 A 28 28 THR HA H 28 4.197 4.713 -0.516 1
1 191 . 9 1 1 A 28 28 THR N N 28 117.317 114.834 2.483 1
1 192 . 9 1 1 A 29 29 SER H H 29 9.543 8.984 0.559 1
1 193 . 9 1 1 A 29 29 SER HA H 29 3.951 4.551 -0.600 1
1 195 . 9 1 1 A 29 29 SER N N 29 127.007 123.156 3.851 1
1 196 . 9 1 1 A 30 30 PHE H H 30 9.546 9.022 0.524 1
1 197 . 9 1 1 A 30 30 PHE HA H 30 3.288 3.992 -0.704 1
1 205 . 9 1 1 A 30 30 PHE N N 30 124.800 122.225 2.575 1
1 206 . 9 1 1 A 31 31 ASP H H 31 7.915 8.195 -0.280 1
1 207 . 9 1 1 A 31 31 ASP HA H 31 4.005 4.524 -0.519 1
1 210 . 9 1 1 A 31 31 ASP N N 31 114.735 119.135 -4.400 1
1 211 . 9 1 1 A 32 32 ASP H H 32 7.330 7.794 -0.464 1
1 212 . 9 1 1 A 32 32 ASP HA H 32 4.524 4.607 -0.083 1
1 215 . 9 1 1 A 32 32 ASP N N 32 117.008 118.372 -1.364 1
1 216 . 9 1 1 A 33 33 LEU H H 33 6.802 7.422 -0.620 1
1 217 . 9 1 1 A 33 33 LEU HA H 33 3.773 4.132 -0.359 1
1 227 . 9 1 1 A 33 33 LEU N N 33 123.359 122.236 1.123 1
1 228 . 9 1 1 A 34 34 PRO HA H 34 4.277 4.588 -0.311 1
1 235 . 9 1 1 A 35 35 ALA H H 35 7.896 8.350 -0.454 1
1 236 . 9 1 1 A 35 35 ALA HA H 35 3.932 4.484 -0.552 1
1 240 . 9 1 1 A 35 35 ALA N N 35 129.585 121.214 8.371 1
1 241 . 9 1 1 A 36 36 ASP H H 36 8.216 7.994 0.222 1
1 242 . 9 1 1 A 36 36 ASP HA H 36 4.555 4.909 -0.354 1
1 245 . 9 1 1 A 36 36 ASP N N 36 112.620 117.306 -4.686 1
1 246 . 9 1 1 A 37 37 TRP H H 37 7.625 7.797 -0.172 1
1 247 . 9 1 1 A 37 37 TRP HA H 37 4.112 4.718 -0.606 1
1 256 . 9 1 1 A 37 37 TRP N N 37 123.123 123.113 0.010 1
1 257 . 9 1 1 A 38 38 VAL H H 38 6.310 8.638 -2.328 1
1 258 . 9 1 1 A 38 38 VAL HA H 38 4.395 4.726 -0.331 1
1 266 . 9 1 1 A 38 38 VAL N N 38 117.596 119.568 -1.972 1
1 267 . 9 1 1 A 39 39 CYS H H 39 8.991 8.642 0.349 1
1 268 . 9 1 1 A 39 39 CYS HA H 39 3.817 4.472 -0.655 1
1 271 . 9 1 1 A 39 39 CYS N N 39 121.584 121.741 -0.157 1
1 272 . 9 1 1 A 40 40 PRO HA H 40 4.075 4.411 -0.336 1
1 279 . 9 1 1 A 41 41 VAL H H 41 8.754 7.765 0.989 1
1 280 . 9 1 1 A 41 41 VAL HA H 41 3.893 3.789 0.104 1
1 288 . 9 1 1 A 41 41 VAL N N 41 123.419 115.189 8.230 1
1 289 . 9 1 1 A 42 42 CYS H H 42 8.824 8.091 0.733 1
1 290 . 9 1 1 A 42 42 CYS HA H 42 4.893 4.564 0.329 1
1 293 . 9 1 1 A 42 42 CYS N N 42 121.044 115.042 6.002 1
1 294 . 9 1 1 A 43 43 GLY H H 43 7.892 7.726 0.166 1
1 295 . 9 1 1 A 43 43 GLY HA2 H 43 3.526 3.940 -0.414 1
1 296 . 9 1 1 A 43 43 GLY HA3 H 43 4.055 3.993 0.062 1
1 297 . 9 1 1 A 43 43 GLY N N 43 112.916 109.153 3.763 1
1 298 . 9 1 1 A 44 44 ALA H H 44 9.156 7.892 1.264 1
1 299 . 9 1 1 A 44 44 ALA HA H 44 4.395 4.800 -0.405 1
1 303 . 9 1 1 A 44 44 ALA N N 44 129.120 122.360 6.760 1
1 310 . 9 1 1 A 46 46 LYS H H 46 8.229 8.566 -0.337 1
1 311 . 9 1 1 A 46 46 LYS HA H 46 4.117 4.288 -0.171 1
1 320 . 9 1 1 A 46 46 LYS N N 46 118.692 122.564 -3.872 1
1 321 . 9 1 1 A 47 47 SER H H 47 8.070 8.194 -0.124 1
1 322 . 9 1 1 A 47 47 SER HA H 47 4.377 4.378 -0.001 1
1 323 . 9 1 1 A 47 47 SER N N 47 110.772 114.629 -3.857 1
1 324 . 9 1 1 A 48 48 GLU H H 48 8.476 7.821 0.655 1
1 329 . 9 1 1 A 48 48 GLU N N 48 119.845 119.874 -0.029 1
1 330 . 9 1 1 A 49 49 PHE H H 49 8.116 7.683 0.433 1
1 331 . 9 1 1 A 49 49 PHE HA H 49 5.436 4.965 0.471 1
1 339 . 9 1 1 A 49 49 PHE N N 49 122.914 119.404 3.510 1
1 340 . 9 1 1 A 50 50 GLU H H 50 9.055 9.008 0.047 1
1 345 . 9 1 1 A 50 50 GLU N N 50 119.977 121.983 -2.006 1
1 346 . 9 1 1 A 51 51 ALA H H 51 8.557 8.723 -0.166 1
1 347 . 9 1 1 A 51 51 ALA HA H 51 3.306 4.588 -1.282 1
1 351 . 9 1 1 A 51 51 ALA N N 51 127.085 122.964 4.121 1
1 5 . 10 1 1 A 2 2 LYS HA H 2 4.325 3.904 0.421 1
1 12 . 10 1 1 A 3 3 LYS H H 3 8.325 nan 8.325 1
1 13 . 10 1 1 A 3 3 LYS HA H 3 4.881 4.465 0.416 1
1 22 . 10 1 1 A 3 3 LYS N N 3 121.705 119.652 2.053 1
1 23 . 10 1 1 A 4 4 TYR H H 4 8.556 nan 8.556 1
1 24 . 10 1 1 A 4 4 TYR HA H 4 4.931 5.285 -0.354 1
1 31 . 10 1 1 A 4 4 TYR N N 4 120.748 118.058 2.690 1
1 32 . 10 1 1 A 5 5 VAL H H 5 9.498 nan 9.498 1
1 33 . 10 1 1 A 5 5 VAL HA H 5 5.132 5.209 -0.077 1
1 41 . 10 1 1 A 5 5 VAL N N 5 120.677 123.107 -2.430 1
1 42 . 10 1 1 A 6 6 CYS H H 6 9.438 nan 9.438 1
1 43 . 10 1 1 A 6 6 CYS HA H 6 2.742 3.853 -1.111 1
1 46 . 10 1 1 A 6 6 CYS N N 6 131.360 126.588 4.772 1
1 47 . 10 1 1 A 7 7 THR H H 7 8.289 nan 8.289 1
1 48 . 10 1 1 A 7 7 THR HA H 7 4.365 4.625 -0.260 1
1 53 . 10 1 1 A 7 7 THR N N 7 122.494 116.135 6.359 1
1 54 . 10 1 1 A 8 8 VAL H H 8 9.102 nan 9.102 1
1 55 . 10 1 1 A 8 8 VAL HA H 8 3.934 3.906 0.028 1
1 63 . 10 1 1 A 8 8 VAL N N 8 126.451 120.863 5.588 1
1 64 . 10 1 1 A 9 9 CYS H H 9 9.195 nan 9.195 1
1 65 . 10 1 1 A 9 9 CYS HA H 9 4.980 4.613 0.367 1
1 68 . 10 1 1 A 9 9 CYS N N 9 121.274 115.165 6.109 1
1 69 . 10 1 1 A 10 10 GLY H H 10 7.821 7.826 -0.005 1
1 70 . 10 1 1 A 10 10 GLY HA2 H 10 3.663 4.046 -0.383 1
1 71 . 10 1 1 A 10 10 GLY HA3 H 10 4.251 4.064 0.187 1
1 72 . 10 1 1 A 10 10 GLY N N 10 113.067 108.796 4.271 1
1 73 . 10 1 1 A 11 11 TYR H H 11 9.393 nan 9.393 1
1 74 . 10 1 1 A 11 11 TYR HA H 11 4.213 5.147 -0.934 1
1 81 . 10 1 1 A 11 11 TYR N N 11 128.218 121.358 6.860 1
1 82 . 10 1 1 A 12 12 GLU H H 12 7.456 nan 7.456 1
1 83 . 10 1 1 A 12 12 GLU HA H 12 4.887 4.369 0.518 1
1 88 . 10 1 1 A 12 12 GLU N N 12 127.210 126.474 0.736 1
1 89 . 10 1 1 A 13 13 TYR H H 13 9.540 nan 9.540 1
1 90 . 10 1 1 A 13 13 TYR HA H 13 4.445 3.549 0.896 1
1 98 . 10 1 1 A 13 13 TYR N N 13 125.578 122.678 2.900 1
1 99 . 10 1 1 A 14 14 ASP H H 14 8.390 nan 8.390 1
1 100 . 10 1 1 A 14 14 ASP HA H 14 5.013 4.989 0.024 1
1 103 . 10 1 1 A 14 14 ASP N N 14 128.076 127.341 0.735 1
1 104 . 10 1 1 A 15 15 PRO HA H 15 4.008 4.275 -0.267 1
1 111 . 10 1 1 A 16 16 ALA H H 16 7.897 nan 7.897 1
1 112 . 10 1 1 A 16 16 ALA HA H 16 3.910 4.121 -0.211 1
1 116 . 10 1 1 A 16 16 ALA N N 16 116.302 120.885 -4.583 1
1 117 . 10 1 1 A 17 17 GLU H H 17 7.388 nan 7.388 1
1 118 . 10 1 1 A 17 17 GLU HA H 17 4.354 4.471 -0.117 1
1 123 . 10 1 1 A 17 17 GLU N N 17 114.338 113.722 0.616 1
1 124 . 10 1 1 A 18 18 GLY H H 18 8.069 7.993 0.076 1
1 125 . 10 1 1 A 18 18 GLY HA2 H 18 3.963 3.855 0.108 1
1 126 . 10 1 1 A 18 18 GLY HA3 H 18 3.510 3.887 -0.377 1
1 127 . 10 1 1 A 18 18 GLY N N 18 105.574 110.731 -5.157 1
1 128 . 10 1 1 A 19 19 ASP H H 19 8.141 nan 8.141 1
1 129 . 10 1 1 A 19 19 ASP HA H 19 5.198 5.170 0.028 1
1 132 . 10 1 1 A 19 19 ASP N N 19 117.708 124.279 -6.571 1
1 133 . 10 1 1 A 20 20 PRO HA H 20 4.005 4.515 -0.510 1
1 140 . 10 1 1 A 21 21 ASP H H 21 9.391 nan 9.391 1
1 141 . 10 1 1 A 21 21 ASP HA H 21 4.473 4.395 0.078 1
1 144 . 10 1 1 A 21 21 ASP N N 21 120.881 119.212 1.669 1
1 145 . 10 1 1 A 22 22 ASN H H 22 7.663 nan 7.663 1
1 146 . 10 1 1 A 22 22 ASN HA H 22 5.078 5.101 -0.023 1
1 151 . 10 1 1 A 22 22 ASN N N 22 114.971 115.301 -0.330 1
1 152 . 10 1 1 A 23 23 GLY H H 23 7.678 8.656 -0.978 1
1 153 . 10 1 1 A 23 23 GLY HA2 H 23 4.165 3.884 0.281 1
1 154 . 10 1 1 A 23 23 GLY HA3 H 23 3.789 3.886 -0.097 1
1 155 . 10 1 1 A 23 23 GLY N N 23 105.605 108.341 -2.736 1
1 156 . 10 1 1 A 24 24 VAL H H 24 7.556 nan 7.556 1
1 157 . 10 1 1 A 24 24 VAL HA H 24 4.167 4.588 -0.421 1
1 165 . 10 1 1 A 24 24 VAL N N 24 122.396 122.366 0.030 1
1 166 . 10 1 1 A 25 25 LYS H H 25 8.552 nan 8.552 1
1 167 . 10 1 1 A 25 25 LYS HA H 25 4.414 4.667 -0.253 1
1 174 . 10 1 1 A 25 25 LYS N N 25 128.930 126.300 2.630 1
1 175 . 10 1 1 A 26 26 PRO HA H 26 3.683 4.508 -0.825 1
1 180 . 10 1 1 A 27 27 GLY H H 27 8.708 8.401 0.307 1
1 181 . 10 1 1 A 27 27 GLY HA2 H 27 4.172 3.957 0.215 1
1 182 . 10 1 1 A 27 27 GLY HA3 H 27 3.419 3.959 -0.540 1
1 183 . 10 1 1 A 27 27 GLY N N 27 112.997 106.893 6.104 1
1 184 . 10 1 1 A 28 28 THR H H 28 7.133 nan 7.133 1
1 185 . 10 1 1 A 28 28 THR HA H 28 4.197 4.840 -0.643 1
1 191 . 10 1 1 A 28 28 THR N N 28 117.317 114.970 2.347 1
1 192 . 10 1 1 A 29 29 SER H H 29 9.543 nan 9.543 1
1 193 . 10 1 1 A 29 29 SER HA H 29 3.951 4.637 -0.686 1
1 195 . 10 1 1 A 29 29 SER N N 29 127.007 122.144 4.863 1
1 196 . 10 1 1 A 30 30 PHE H H 30 9.546 nan 9.546 1
1 197 . 10 1 1 A 30 30 PHE HA H 30 3.288 3.975 -0.687 1
1 205 . 10 1 1 A 30 30 PHE N N 30 124.800 123.592 1.208 1
1 206 . 10 1 1 A 31 31 ASP H H 31 7.915 nan 7.915 1
1 207 . 10 1 1 A 31 31 ASP HA H 31 4.005 4.498 -0.493 1
1 210 . 10 1 1 A 31 31 ASP N N 31 114.735 118.945 -4.210 1
1 211 . 10 1 1 A 32 32 ASP H H 32 7.330 nan 7.330 1
1 212 . 10 1 1 A 32 32 ASP HA H 32 4.524 4.615 -0.091 1
1 215 . 10 1 1 A 32 32 ASP N N 32 117.008 118.404 -1.396 1
1 216 . 10 1 1 A 33 33 LEU H H 33 6.802 nan 6.802 1
1 217 . 10 1 1 A 33 33 LEU HA H 33 3.773 4.148 -0.375 1
1 227 . 10 1 1 A 33 33 LEU N N 33 123.359 122.104 1.255 1
1 228 . 10 1 1 A 34 34 PRO HA H 34 4.277 4.521 -0.244 1
1 235 . 10 1 1 A 35 35 ALA H H 35 7.896 nan 7.896 1
1 236 . 10 1 1 A 35 35 ALA HA H 35 3.932 4.283 -0.351 1
1 240 . 10 1 1 A 35 35 ALA N N 35 129.585 121.026 8.559 1
1 241 . 10 1 1 A 36 36 ASP H H 36 8.216 nan 8.216 1
1 242 . 10 1 1 A 36 36 ASP HA H 36 4.555 4.822 -0.267 1
1 245 . 10 1 1 A 36 36 ASP N N 36 112.620 116.036 -3.416 1
1 246 . 10 1 1 A 37 37 TRP H H 37 7.625 nan 7.625 1
1 247 . 10 1 1 A 37 37 TRP HA H 37 4.112 4.709 -0.597 1
1 256 . 10 1 1 A 37 37 TRP N N 37 123.123 122.990 0.133 1
1 257 . 10 1 1 A 38 38 VAL H H 38 6.310 nan 6.310 1
1 258 . 10 1 1 A 38 38 VAL HA H 38 4.395 4.382 0.013 1
1 266 . 10 1 1 A 38 38 VAL N N 38 117.596 119.389 -1.793 1
1 267 . 10 1 1 A 39 39 CYS H H 39 8.991 nan 8.991 1
1 268 . 10 1 1 A 39 39 CYS HA H 39 3.817 4.437 -0.620 1
1 271 . 10 1 1 A 39 39 CYS N N 39 121.584 121.625 -0.041 1
1 272 . 10 1 1 A 40 40 PRO HA H 40 4.075 4.467 -0.392 1
1 279 . 10 1 1 A 41 41 VAL H H 41 8.754 nan 8.754 1
1 280 . 10 1 1 A 41 41 VAL HA H 41 3.893 3.806 0.087 1
1 288 . 10 1 1 A 41 41 VAL N N 41 123.419 115.559 7.860 1
1 289 . 10 1 1 A 42 42 CYS H H 42 8.824 nan 8.824 1
1 290 . 10 1 1 A 42 42 CYS HA H 42 4.893 4.578 0.315 1
1 293 . 10 1 1 A 42 42 CYS N N 42 121.044 115.160 5.884 1
1 294 . 10 1 1 A 43 43 GLY H H 43 7.892 7.754 0.138 1
1 295 . 10 1 1 A 43 43 GLY HA2 H 43 3.526 3.930 -0.404 1
1 296 . 10 1 1 A 43 43 GLY HA3 H 43 4.055 3.988 0.067 1
1 297 . 10 1 1 A 43 43 GLY N N 43 112.916 109.183 3.733 1
1 298 . 10 1 1 A 44 44 ALA H H 44 9.156 nan 9.156 1
1 299 . 10 1 1 A 44 44 ALA HA H 44 4.395 4.824 -0.429 1
1 303 . 10 1 1 A 44 44 ALA N N 44 129.120 122.409 6.711 1
1 310 . 10 1 1 A 46 46 LYS H H 46 8.229 nan 8.229 1
1 311 . 10 1 1 A 46 46 LYS HA H 46 4.117 4.157 -0.040 1
1 320 . 10 1 1 A 46 46 LYS N N 46 118.692 122.232 -3.540 1
1 321 . 10 1 1 A 47 47 SER H H 47 8.070 nan 8.070 1
1 322 . 10 1 1 A 47 47 SER HA H 47 4.377 4.402 -0.025 1
1 323 . 10 1 1 A 47 47 SER N N 47 110.772 114.914 -4.142 1
1 324 . 10 1 1 A 48 48 GLU H H 48 8.476 nan 8.476 1
1 329 . 10 1 1 A 48 48 GLU N N 48 119.845 117.920 1.925 1
1 330 . 10 1 1 A 49 49 PHE H H 49 8.116 nan 8.116 1
1 331 . 10 1 1 A 49 49 PHE HA H 49 5.436 5.233 0.203 1
1 339 . 10 1 1 A 49 49 PHE N N 49 122.914 119.464 3.450 1
1 340 . 10 1 1 A 50 50 GLU H H 50 9.055 nan 9.055 1
1 345 . 10 1 1 A 50 50 GLU N N 50 119.977 123.604 -3.627 1
1 346 . 10 1 1 A 51 51 ALA H H 51 8.557 nan 8.557 1
1 347 . 10 1 1 A 51 51 ALA HA H 51 3.306 4.320 -1.014 1
1 351 . 10 1 1 A 51 51 ALA N N 51 127.085 123.684 3.401 1
1 5 . 11 1 1 A 2 2 LYS HA H 2 4.325 4.456 -0.131 1
1 12 . 11 1 1 A 3 3 LYS H H 3 8.325 8.866 -0.541 1
1 13 . 11 1 1 A 3 3 LYS HA H 3 4.881 4.974 -0.093 1
1 22 . 11 1 1 A 3 3 LYS N N 3 121.705 124.034 -2.329 1
1 23 . 11 1 1 A 4 4 TYR H H 4 8.556 8.794 -0.238 1
1 24 . 11 1 1 A 4 4 TYR HA H 4 4.931 4.955 -0.024 1
1 31 . 11 1 1 A 4 4 TYR N N 4 120.748 118.171 2.577 1
1 32 . 11 1 1 A 5 5 VAL H H 5 9.498 8.911 0.587 1
1 33 . 11 1 1 A 5 5 VAL HA H 5 5.132 5.464 -0.332 1
1 41 . 11 1 1 A 5 5 VAL N N 5 120.677 121.561 -0.884 1
1 42 . 11 1 1 A 6 6 CYS H H 6 9.438 8.633 0.805 1
1 43 . 11 1 1 A 6 6 CYS HA H 6 2.742 4.292 -1.550 1
1 46 . 11 1 1 A 6 6 CYS N N 6 131.360 126.941 4.419 1
1 47 . 11 1 1 A 7 7 THR H H 7 8.289 8.809 -0.520 1
1 48 . 11 1 1 A 7 7 THR HA H 7 4.365 4.250 0.115 1
1 53 . 11 1 1 A 7 7 THR N N 7 122.494 120.750 1.744 1
1 54 . 11 1 1 A 8 8 VAL H H 8 9.102 7.681 1.421 1
1 55 . 11 1 1 A 8 8 VAL HA H 8 3.934 3.802 0.132 1
1 63 . 11 1 1 A 8 8 VAL N N 8 126.451 120.753 5.698 1
1 64 . 11 1 1 A 9 9 CYS H H 9 9.195 7.760 1.435 1
1 65 . 11 1 1 A 9 9 CYS HA H 9 4.980 4.493 0.487 1
1 68 . 11 1 1 A 9 9 CYS N N 9 121.274 116.496 4.778 1
1 69 . 11 1 1 A 10 10 GLY H H 10 7.821 8.114 -0.293 1
1 70 . 11 1 1 A 10 10 GLY HA2 H 10 3.663 4.074 -0.411 1
1 71 . 11 1 1 A 10 10 GLY HA3 H 10 4.251 4.079 0.172 1
1 72 . 11 1 1 A 10 10 GLY N N 10 113.067 108.108 4.959 1
1 73 . 11 1 1 A 11 11 TYR H H 11 9.393 7.941 1.452 1
1 74 . 11 1 1 A 11 11 TYR HA H 11 4.213 4.627 -0.414 1
1 81 . 11 1 1 A 11 11 TYR N N 11 128.218 122.199 6.019 1
1 82 . 11 1 1 A 12 12 GLU H H 12 7.456 8.749 -1.293 1
1 83 . 11 1 1 A 12 12 GLU HA H 12 4.887 4.857 0.030 1
1 88 . 11 1 1 A 12 12 GLU N N 12 127.210 123.129 4.081 1
1 89 . 11 1 1 A 13 13 TYR H H 13 9.540 8.870 0.670 1
1 90 . 11 1 1 A 13 13 TYR HA H 13 4.445 4.838 -0.393 1
1 98 . 11 1 1 A 13 13 TYR N N 13 125.578 126.272 -0.694 1
1 99 . 11 1 1 A 14 14 ASP H H 14 8.390 8.557 -0.167 1
1 100 . 11 1 1 A 14 14 ASP HA H 14 5.013 5.034 -0.021 1
1 103 . 11 1 1 A 14 14 ASP N N 14 128.076 128.799 -0.723 1
1 104 . 11 1 1 A 15 15 PRO HA H 15 4.008 4.616 -0.608 1
1 111 . 11 1 1 A 16 16 ALA H H 16 7.897 8.256 -0.359 1
1 112 . 11 1 1 A 16 16 ALA HA H 16 3.910 4.099 -0.189 1
1 116 . 11 1 1 A 16 16 ALA N N 16 116.302 121.821 -5.519 1
1 117 . 11 1 1 A 17 17 GLU H H 17 7.388 7.959 -0.571 1
1 118 . 11 1 1 A 17 17 GLU HA H 17 4.354 4.561 -0.207 1
1 123 . 11 1 1 A 17 17 GLU N N 17 114.338 114.211 0.127 1
1 124 . 11 1 1 A 18 18 GLY H H 18 8.069 7.420 0.649 1
1 125 . 11 1 1 A 18 18 GLY HA2 H 18 3.963 4.100 -0.137 1
1 126 . 11 1 1 A 18 18 GLY HA3 H 18 3.510 4.149 -0.639 1
1 127 . 11 1 1 A 18 18 GLY N N 18 105.574 108.662 -3.088 1
1 128 . 11 1 1 A 19 19 ASP H H 19 8.141 8.459 -0.318 1
1 129 . 11 1 1 A 19 19 ASP HA H 19 5.198 5.395 -0.197 1
1 132 . 11 1 1 A 19 19 ASP N N 19 117.708 118.272 -0.564 1
1 133 . 11 1 1 A 20 20 PRO HA H 20 4.005 4.476 -0.471 1
1 140 . 11 1 1 A 21 21 ASP H H 21 9.391 8.523 0.868 1
1 141 . 11 1 1 A 21 21 ASP HA H 21 4.473 4.414 0.059 1
1 144 . 11 1 1 A 21 21 ASP N N 21 120.881 118.138 2.743 1
1 145 . 11 1 1 A 22 22 ASN H H 22 7.663 7.832 -0.169 1
1 146 . 11 1 1 A 22 22 ASN HA H 22 5.078 4.801 0.277 1
1 151 . 11 1 1 A 22 22 ASN N N 22 114.971 115.147 -0.176 1
1 152 . 11 1 1 A 23 23 GLY H H 23 7.678 7.839 -0.161 1
1 153 . 11 1 1 A 23 23 GLY HA2 H 23 4.165 4.028 0.137 1
1 154 . 11 1 1 A 23 23 GLY HA3 H 23 3.789 4.031 -0.242 1
1 155 . 11 1 1 A 23 23 GLY N N 23 105.605 106.026 -0.421 1
1 156 . 11 1 1 A 24 24 VAL H H 24 7.556 7.580 -0.024 1
1 157 . 11 1 1 A 24 24 VAL HA H 24 4.167 3.939 0.228 1
1 165 . 11 1 1 A 24 24 VAL N N 24 122.396 122.246 0.150 1
1 166 . 11 1 1 A 25 25 LYS H H 25 8.552 8.604 -0.052 1
1 167 . 11 1 1 A 25 25 LYS HA H 25 4.414 4.645 -0.231 1
1 174 . 11 1 1 A 25 25 LYS N N 25 128.930 124.322 4.608 1
1 175 . 11 1 1 A 26 26 PRO HA H 26 3.683 4.894 -1.211 1
1 180 . 11 1 1 A 27 27 GLY H H 27 8.708 8.153 0.555 1
1 181 . 11 1 1 A 27 27 GLY HA2 H 27 4.172 4.083 0.089 1
1 182 . 11 1 1 A 27 27 GLY HA3 H 27 3.419 4.084 -0.665 1
1 183 . 11 1 1 A 27 27 GLY N N 27 112.997 106.852 6.145 1
1 184 . 11 1 1 A 28 28 THR H H 28 7.133 7.443 -0.310 1
1 185 . 11 1 1 A 28 28 THR HA H 28 4.197 4.873 -0.676 1
1 191 . 11 1 1 A 28 28 THR N N 28 117.317 114.247 3.070 1
1 192 . 11 1 1 A 29 29 SER H H 29 9.543 8.990 0.553 1
1 193 . 11 1 1 A 29 29 SER HA H 29 3.951 4.464 -0.513 1
1 195 . 11 1 1 A 29 29 SER N N 29 127.007 122.822 4.185 1
1 196 . 11 1 1 A 30 30 PHE H H 30 9.546 9.053 0.493 1
1 197 . 11 1 1 A 30 30 PHE HA H 30 3.288 3.962 -0.674 1
1 205 . 11 1 1 A 30 30 PHE N N 30 124.800 123.966 0.834 1
1 206 . 11 1 1 A 31 31 ASP H H 31 7.915 8.360 -0.445 1
1 207 . 11 1 1 A 31 31 ASP HA H 31 4.005 4.538 -0.533 1
1 210 . 11 1 1 A 31 31 ASP N N 31 114.735 118.682 -3.947 1
1 211 . 11 1 1 A 32 32 ASP H H 32 7.330 7.815 -0.485 1
1 212 . 11 1 1 A 32 32 ASP HA H 32 4.524 4.751 -0.227 1
1 215 . 11 1 1 A 32 32 ASP N N 32 117.008 118.329 -1.321 1
1 216 . 11 1 1 A 33 33 LEU H H 33 6.802 7.297 -0.495 1
1 217 . 11 1 1 A 33 33 LEU HA H 33 3.773 4.289 -0.516 1
1 227 . 11 1 1 A 33 33 LEU N N 33 123.359 121.837 1.522 1
1 228 . 11 1 1 A 34 34 PRO HA H 34 4.277 4.591 -0.314 1
1 235 . 11 1 1 A 35 35 ALA H H 35 7.896 8.349 -0.453 1
1 236 . 11 1 1 A 35 35 ALA HA H 35 3.932 4.362 -0.430 1
1 240 . 11 1 1 A 35 35 ALA N N 35 129.585 122.691 6.894 1
1 241 . 11 1 1 A 36 36 ASP H H 36 8.216 7.941 0.275 1
1 242 . 11 1 1 A 36 36 ASP HA H 36 4.555 4.926 -0.371 1
1 245 . 11 1 1 A 36 36 ASP N N 36 112.620 117.363 -4.743 1
1 246 . 11 1 1 A 37 37 TRP H H 37 7.625 7.612 0.013 1
1 247 . 11 1 1 A 37 37 TRP HA H 37 4.112 4.615 -0.503 1
1 256 . 11 1 1 A 37 37 TRP N N 37 123.123 123.095 0.028 1
1 257 . 11 1 1 A 38 38 VAL H H 38 6.310 8.600 -2.290 1
1 258 . 11 1 1 A 38 38 VAL HA H 38 4.395 4.689 -0.294 1
1 266 . 11 1 1 A 38 38 VAL N N 38 117.596 120.192 -2.596 1
1 267 . 11 1 1 A 39 39 CYS H H 39 8.991 8.517 0.474 1
1 268 . 11 1 1 A 39 39 CYS HA H 39 3.817 4.172 -0.355 1
1 271 . 11 1 1 A 39 39 CYS N N 39 121.584 122.490 -0.906 1
1 272 . 11 1 1 A 40 40 PRO HA H 40 4.075 4.379 -0.304 1
1 279 . 11 1 1 A 41 41 VAL H H 41 8.754 7.733 1.021 1
1 280 . 11 1 1 A 41 41 VAL HA H 41 3.893 3.828 0.065 1
1 288 . 11 1 1 A 41 41 VAL N N 41 123.419 115.672 7.747 1
1 289 . 11 1 1 A 42 42 CYS H H 42 8.824 8.039 0.785 1
1 290 . 11 1 1 A 42 42 CYS HA H 42 4.893 4.540 0.353 1
1 293 . 11 1 1 A 42 42 CYS N N 42 121.044 114.937 6.107 1
1 294 . 11 1 1 A 43 43 GLY H H 43 7.892 7.787 0.105 1
1 295 . 11 1 1 A 43 43 GLY HA2 H 43 3.526 3.900 -0.374 1
1 296 . 11 1 1 A 43 43 GLY HA3 H 43 4.055 3.964 0.091 1
1 297 . 11 1 1 A 43 43 GLY N N 43 112.916 109.338 3.578 1
1 298 . 11 1 1 A 44 44 ALA H H 44 9.156 7.812 1.344 1
1 299 . 11 1 1 A 44 44 ALA HA H 44 4.395 4.784 -0.389 1
1 303 . 11 1 1 A 44 44 ALA N N 44 129.120 123.279 5.841 1
1 310 . 11 1 1 A 46 46 LYS H H 46 8.229 8.475 -0.246 1
1 311 . 11 1 1 A 46 46 LYS HA H 46 4.117 4.454 -0.337 1
1 320 . 11 1 1 A 46 46 LYS N N 46 118.692 121.364 -2.672 1
1 321 . 11 1 1 A 47 47 SER H H 47 8.070 8.026 0.044 1
1 322 . 11 1 1 A 47 47 SER HA H 47 4.377 4.231 0.146 1
1 323 . 11 1 1 A 47 47 SER N N 47 110.772 114.994 -4.222 1
1 324 . 11 1 1 A 48 48 GLU H H 48 8.476 7.816 0.660 1
1 329 . 11 1 1 A 48 48 GLU N N 48 119.845 118.634 1.211 1
1 330 . 11 1 1 A 49 49 PHE H H 49 8.116 7.696 0.420 1
1 331 . 11 1 1 A 49 49 PHE HA H 49 5.436 5.021 0.415 1
1 339 . 11 1 1 A 49 49 PHE N N 49 122.914 119.485 3.429 1
1 340 . 11 1 1 A 50 50 GLU H H 50 9.055 9.002 0.053 1
1 345 . 11 1 1 A 50 50 GLU N N 50 119.977 120.112 -0.135 1
1 346 . 11 1 1 A 51 51 ALA H H 51 8.557 7.389 1.168 1
1 347 . 11 1 1 A 51 51 ALA HA H 51 3.306 3.886 -0.580 1
1 351 . 11 1 1 A 51 51 ALA N N 51 127.085 119.307 7.778 1
1 5 . 12 1 1 A 2 2 LYS HA H 2 4.325 4.669 -0.344 1
1 12 . 12 1 1 A 3 3 LYS H H 3 8.325 8.729 -0.404 1
1 13 . 12 1 1 A 3 3 LYS HA H 3 4.881 4.288 0.593 1
1 22 . 12 1 1 A 3 3 LYS N N 3 121.705 123.989 -2.284 1
1 23 . 12 1 1 A 4 4 TYR H H 4 8.556 8.771 -0.215 1
1 24 . 12 1 1 A 4 4 TYR HA H 4 4.931 5.463 -0.532 1
1 31 . 12 1 1 A 4 4 TYR N N 4 120.748 117.696 3.052 1
1 32 . 12 1 1 A 5 5 VAL H H 5 9.498 9.080 0.418 1
1 33 . 12 1 1 A 5 5 VAL HA H 5 5.132 5.161 -0.029 1
1 41 . 12 1 1 A 5 5 VAL N N 5 120.677 123.414 -2.737 1
1 42 . 12 1 1 A 6 6 CYS H H 6 9.438 8.761 0.677 1
1 43 . 12 1 1 A 6 6 CYS HA H 6 2.742 4.214 -1.472 1
1 46 . 12 1 1 A 6 6 CYS N N 6 131.360 126.331 5.029 1
1 47 . 12 1 1 A 7 7 THR H H 7 8.289 8.890 -0.601 1
1 48 . 12 1 1 A 7 7 THR HA H 7 4.365 4.549 -0.184 1
1 53 . 12 1 1 A 7 7 THR N N 7 122.494 122.616 -0.122 1
1 54 . 12 1 1 A 8 8 VAL H H 8 9.102 8.178 0.924 1
1 55 . 12 1 1 A 8 8 VAL HA H 8 3.934 4.482 -0.548 1
1 63 . 12 1 1 A 8 8 VAL N N 8 126.451 121.325 5.126 1
1 64 . 12 1 1 A 9 9 CYS H H 9 9.195 8.104 1.091 1
1 65 . 12 1 1 A 9 9 CYS HA H 9 4.980 4.574 0.406 1
1 68 . 12 1 1 A 9 9 CYS N N 9 121.274 118.367 2.907 1
1 69 . 12 1 1 A 10 10 GLY H H 10 7.821 8.231 -0.410 1
1 70 . 12 1 1 A 10 10 GLY HA2 H 10 3.663 4.030 -0.367 1
1 71 . 12 1 1 A 10 10 GLY HA3 H 10 4.251 4.037 0.214 1
1 72 . 12 1 1 A 10 10 GLY N N 10 113.067 109.788 3.279 1
1 73 . 12 1 1 A 11 11 TYR H H 11 9.393 7.630 1.763 1
1 74 . 12 1 1 A 11 11 TYR HA H 11 4.213 5.330 -1.117 1
1 81 . 12 1 1 A 11 11 TYR N N 11 128.218 119.858 8.360 1
1 82 . 12 1 1 A 12 12 GLU H H 12 7.456 8.905 -1.449 1
1 83 . 12 1 1 A 12 12 GLU HA H 12 4.887 5.007 -0.120 1
1 88 . 12 1 1 A 12 12 GLU N N 12 127.210 124.126 3.084 1
1 89 . 12 1 1 A 13 13 TYR H H 13 9.540 8.875 0.665 1
1 90 . 12 1 1 A 13 13 TYR HA H 13 4.445 5.183 -0.738 1
1 98 . 12 1 1 A 13 13 TYR N N 13 125.578 125.953 -0.375 1
1 99 . 12 1 1 A 14 14 ASP H H 14 8.390 8.638 -0.248 1
1 100 . 12 1 1 A 14 14 ASP HA H 14 5.013 5.087 -0.074 1
1 103 . 12 1 1 A 14 14 ASP N N 14 128.076 128.450 -0.374 1
1 104 . 12 1 1 A 15 15 PRO HA H 15 4.008 4.516 -0.508 1
1 111 . 12 1 1 A 16 16 ALA H H 16 7.897 8.255 -0.358 1
1 112 . 12 1 1 A 16 16 ALA HA H 16 3.910 4.134 -0.224 1
1 116 . 12 1 1 A 16 16 ALA N N 16 116.302 121.307 -5.005 1
1 117 . 12 1 1 A 17 17 GLU H H 17 7.388 7.910 -0.522 1
1 118 . 12 1 1 A 17 17 GLU HA H 17 4.354 4.471 -0.117 1
1 123 . 12 1 1 A 17 17 GLU N N 17 114.338 113.988 0.350 1
1 124 . 12 1 1 A 18 18 GLY H H 18 8.069 7.756 0.313 1
1 125 . 12 1 1 A 18 18 GLY HA2 H 18 3.963 3.999 -0.036 1
1 126 . 12 1 1 A 18 18 GLY HA3 H 18 3.510 4.018 -0.508 1
1 127 . 12 1 1 A 18 18 GLY N N 18 105.574 109.003 -3.429 1
1 128 . 12 1 1 A 19 19 ASP H H 19 8.141 8.547 -0.406 1
1 129 . 12 1 1 A 19 19 ASP HA H 19 5.198 5.097 0.101 1
1 132 . 12 1 1 A 19 19 ASP N N 19 117.708 122.625 -4.917 1
1 133 . 12 1 1 A 20 20 PRO HA H 20 4.005 4.488 -0.483 1
1 140 . 12 1 1 A 21 21 ASP H H 21 9.391 8.841 0.550 1
1 141 . 12 1 1 A 21 21 ASP HA H 21 4.473 4.365 0.108 1
1 144 . 12 1 1 A 21 21 ASP N N 21 120.881 119.506 1.375 1
1 145 . 12 1 1 A 22 22 ASN H H 22 7.663 7.739 -0.076 1
1 146 . 12 1 1 A 22 22 ASN HA H 22 5.078 5.077 0.001 1
1 151 . 12 1 1 A 22 22 ASN N N 22 114.971 115.232 -0.261 1
1 152 . 12 1 1 A 23 23 GLY H H 23 7.678 8.757 -1.079 1
1 153 . 12 1 1 A 23 23 GLY HA2 H 23 4.165 3.874 0.291 1
1 154 . 12 1 1 A 23 23 GLY HA3 H 23 3.789 3.874 -0.085 1
1 155 . 12 1 1 A 23 23 GLY N N 23 105.605 108.372 -2.767 1
1 156 . 12 1 1 A 24 24 VAL H H 24 7.556 8.063 -0.507 1
1 157 . 12 1 1 A 24 24 VAL HA H 24 4.167 4.951 -0.784 1
1 165 . 12 1 1 A 24 24 VAL N N 24 122.396 121.392 1.004 1
1 166 . 12 1 1 A 25 25 LYS H H 25 8.552 8.490 0.062 1
1 167 . 12 1 1 A 25 25 LYS HA H 25 4.414 4.805 -0.391 1
1 174 . 12 1 1 A 25 25 LYS N N 25 128.930 121.963 6.967 1
1 175 . 12 1 1 A 26 26 PRO HA H 26 3.683 4.917 -1.234 1
1 180 . 12 1 1 A 27 27 GLY H H 27 8.708 8.299 0.409 1
1 181 . 12 1 1 A 27 27 GLY HA2 H 27 4.172 4.029 0.143 1
1 182 . 12 1 1 A 27 27 GLY HA3 H 27 3.419 4.030 -0.611 1
1 183 . 12 1 1 A 27 27 GLY N N 27 112.997 106.824 6.173 1
1 184 . 12 1 1 A 28 28 THR H H 28 7.133 7.296 -0.163 1
1 185 . 12 1 1 A 28 28 THR HA H 28 4.197 4.933 -0.736 1
1 191 . 12 1 1 A 28 28 THR N N 28 117.317 114.452 2.865 1
1 192 . 12 1 1 A 29 29 SER H H 29 9.543 8.974 0.569 1
1 193 . 12 1 1 A 29 29 SER HA H 29 3.951 4.715 -0.764 1
1 195 . 12 1 1 A 29 29 SER N N 29 127.007 121.684 5.323 1
1 196 . 12 1 1 A 30 30 PHE H H 30 9.546 9.002 0.544 1
1 197 . 12 1 1 A 30 30 PHE HA H 30 3.288 3.868 -0.580 1
1 205 . 12 1 1 A 30 30 PHE N N 30 124.800 124.093 0.707 1
1 206 . 12 1 1 A 31 31 ASP H H 31 7.915 8.358 -0.443 1
1 207 . 12 1 1 A 31 31 ASP HA H 31 4.005 4.524 -0.519 1
1 210 . 12 1 1 A 31 31 ASP N N 31 114.735 118.785 -4.050 1
1 211 . 12 1 1 A 32 32 ASP H H 32 7.330 7.781 -0.451 1
1 212 . 12 1 1 A 32 32 ASP HA H 32 4.524 4.589 -0.065 1
1 215 . 12 1 1 A 32 32 ASP N N 32 117.008 119.014 -2.006 1
1 216 . 12 1 1 A 33 33 LEU H H 33 6.802 7.460 -0.658 1
1 217 . 12 1 1 A 33 33 LEU HA H 33 3.773 4.140 -0.367 1
1 227 . 12 1 1 A 33 33 LEU N N 33 123.359 121.806 1.553 1
1 228 . 12 1 1 A 34 34 PRO HA H 34 4.277 4.531 -0.254 1
1 235 . 12 1 1 A 35 35 ALA H H 35 7.896 8.508 -0.612 1
1 236 . 12 1 1 A 35 35 ALA HA H 35 3.932 4.306 -0.374 1
1 240 . 12 1 1 A 35 35 ALA N N 35 129.585 122.907 6.678 1
1 241 . 12 1 1 A 36 36 ASP H H 36 8.216 7.958 0.258 1
1 242 . 12 1 1 A 36 36 ASP HA H 36 4.555 4.877 -0.322 1
1 245 . 12 1 1 A 36 36 ASP N N 36 112.620 117.138 -4.518 1
1 246 . 12 1 1 A 37 37 TRP H H 37 7.625 7.668 -0.043 1
1 247 . 12 1 1 A 37 37 TRP HA H 37 4.112 4.747 -0.635 1
1 256 . 12 1 1 A 37 37 TRP N N 37 123.123 122.904 0.219 1
1 257 . 12 1 1 A 38 38 VAL H H 38 6.310 8.656 -2.346 1
1 258 . 12 1 1 A 38 38 VAL HA H 38 4.395 4.553 -0.158 1
1 266 . 12 1 1 A 38 38 VAL N N 38 117.596 119.236 -1.640 1
1 267 . 12 1 1 A 39 39 CYS H H 39 8.991 8.482 0.509 1
1 268 . 12 1 1 A 39 39 CYS HA H 39 3.817 4.469 -0.652 1
1 271 . 12 1 1 A 39 39 CYS N N 39 121.584 121.631 -0.047 1
1 272 . 12 1 1 A 40 40 PRO HA H 40 4.075 4.387 -0.312 1
1 279 . 12 1 1 A 41 41 VAL H H 41 8.754 7.767 0.987 1
1 280 . 12 1 1 A 41 41 VAL HA H 41 3.893 3.793 0.100 1
1 288 . 12 1 1 A 41 41 VAL N N 41 123.419 115.151 8.268 1
1 289 . 12 1 1 A 42 42 CYS H H 42 8.824 8.043 0.781 1
1 290 . 12 1 1 A 42 42 CYS HA H 42 4.893 4.645 0.248 1
1 293 . 12 1 1 A 42 42 CYS N N 42 121.044 115.074 5.970 1
1 294 . 12 1 1 A 43 43 GLY H H 43 7.892 7.752 0.140 1
1 295 . 12 1 1 A 43 43 GLY HA2 H 43 3.526 3.924 -0.398 1
1 296 . 12 1 1 A 43 43 GLY HA3 H 43 4.055 3.979 0.076 1
1 297 . 12 1 1 A 43 43 GLY N N 43 112.916 109.131 3.785 1
1 298 . 12 1 1 A 44 44 ALA H H 44 9.156 7.832 1.324 1
1 299 . 12 1 1 A 44 44 ALA HA H 44 4.395 4.637 -0.242 1
1 303 . 12 1 1 A 44 44 ALA N N 44 129.120 123.121 5.999 1
1 310 . 12 1 1 A 46 46 LYS H H 46 8.229 8.561 -0.332 1
1 311 . 12 1 1 A 46 46 LYS HA H 46 4.117 4.119 -0.002 1
1 320 . 12 1 1 A 46 46 LYS N N 46 118.692 123.093 -4.401 1
1 321 . 12 1 1 A 47 47 SER H H 47 8.070 7.990 0.080 1
1 322 . 12 1 1 A 47 47 SER HA H 47 4.377 4.517 -0.140 1
1 323 . 12 1 1 A 47 47 SER N N 47 110.772 115.400 -4.628 1
1 324 . 12 1 1 A 48 48 GLU H H 48 8.476 7.821 0.655 1
1 329 . 12 1 1 A 48 48 GLU N N 48 119.845 118.190 1.655 1
1 330 . 12 1 1 A 49 49 PHE H H 49 8.116 7.717 0.399 1
1 331 . 12 1 1 A 49 49 PHE HA H 49 5.436 5.218 0.218 1
1 339 . 12 1 1 A 49 49 PHE N N 49 122.914 119.820 3.094 1
1 340 . 12 1 1 A 50 50 GLU H H 50 9.055 8.552 0.503 1
1 345 . 12 1 1 A 50 50 GLU N N 50 119.977 125.128 -5.151 1
1 346 . 12 1 1 A 51 51 ALA H H 51 8.557 8.527 0.030 1
1 347 . 12 1 1 A 51 51 ALA HA H 51 3.306 4.172 -0.866 1
1 351 . 12 1 1 A 51 51 ALA N N 51 127.085 129.176 -2.091 1
1 5 . 13 1 1 A 2 2 LYS HA H 2 4.325 4.366 -0.041 1
1 12 . 13 1 1 A 3 3 LYS H H 3 8.325 7.835 0.490 1
1 13 . 13 1 1 A 3 3 LYS HA H 3 4.881 4.879 0.002 1
1 22 . 13 1 1 A 3 3 LYS N N 3 121.705 118.127 3.578 1
1 23 . 13 1 1 A 4 4 TYR H H 4 8.556 8.964 -0.408 1
1 24 . 13 1 1 A 4 4 TYR HA H 4 4.931 5.325 -0.394 1
1 31 . 13 1 1 A 4 4 TYR N N 4 120.748 118.195 2.553 1
1 32 . 13 1 1 A 5 5 VAL H H 5 9.498 8.871 0.627 1
1 33 . 13 1 1 A 5 5 VAL HA H 5 5.132 5.354 -0.222 1
1 41 . 13 1 1 A 5 5 VAL N N 5 120.677 118.654 2.023 1
1 42 . 13 1 1 A 6 6 CYS H H 6 9.438 8.882 0.556 1
1 43 . 13 1 1 A 6 6 CYS HA H 6 2.742 3.794 -1.052 1
1 46 . 13 1 1 A 6 6 CYS N N 6 131.360 125.045 6.315 1
1 47 . 13 1 1 A 7 7 THR H H 7 8.289 8.727 -0.438 1
1 48 . 13 1 1 A 7 7 THR HA H 7 4.365 4.402 -0.037 1
1 53 . 13 1 1 A 7 7 THR N N 7 122.494 119.253 3.241 1
1 54 . 13 1 1 A 8 8 VAL H H 8 9.102 7.772 1.330 1
1 55 . 13 1 1 A 8 8 VAL HA H 8 3.934 3.897 0.037 1
1 63 . 13 1 1 A 8 8 VAL N N 8 126.451 120.872 5.579 1
1 64 . 13 1 1 A 9 9 CYS H H 9 9.195 7.916 1.279 1
1 65 . 13 1 1 A 9 9 CYS HA H 9 4.980 4.447 0.533 1
1 68 . 13 1 1 A 9 9 CYS N N 9 121.274 116.929 4.345 1
1 69 . 13 1 1 A 10 10 GLY H H 10 7.821 8.089 -0.268 1
1 70 . 13 1 1 A 10 10 GLY HA2 H 10 3.663 4.028 -0.365 1
1 71 . 13 1 1 A 10 10 GLY HA3 H 10 4.251 4.051 0.200 1
1 72 . 13 1 1 A 10 10 GLY N N 10 113.067 107.828 5.239 1
1 73 . 13 1 1 A 11 11 TYR H H 11 9.393 8.005 1.388 1
1 74 . 13 1 1 A 11 11 TYR HA H 11 4.213 4.638 -0.425 1
1 81 . 13 1 1 A 11 11 TYR N N 11 128.218 121.911 6.307 1
1 82 . 13 1 1 A 12 12 GLU H H 12 7.456 9.266 -1.810 1
1 83 . 13 1 1 A 12 12 GLU HA H 12 4.887 5.134 -0.247 1
1 88 . 13 1 1 A 12 12 GLU N N 12 127.210 122.891 4.319 1
1 89 . 13 1 1 A 13 13 TYR H H 13 9.540 8.933 0.607 1
1 90 . 13 1 1 A 13 13 TYR HA H 13 4.445 4.975 -0.530 1
1 98 . 13 1 1 A 13 13 TYR N N 13 125.578 125.361 0.217 1
1 99 . 13 1 1 A 14 14 ASP H H 14 8.390 8.698 -0.308 1
1 100 . 13 1 1 A 14 14 ASP HA H 14 5.013 4.874 0.139 1
1 103 . 13 1 1 A 14 14 ASP N N 14 128.076 127.723 0.353 1
1 104 . 13 1 1 A 15 15 PRO HA H 15 4.008 4.112 -0.104 1
1 111 . 13 1 1 A 16 16 ALA H H 16 7.897 8.319 -0.422 1
1 112 . 13 1 1 A 16 16 ALA HA H 16 3.910 4.037 -0.127 1
1 116 . 13 1 1 A 16 16 ALA N N 16 116.302 120.709 -4.407 1
1 117 . 13 1 1 A 17 17 GLU H H 17 7.388 8.002 -0.614 1
1 118 . 13 1 1 A 17 17 GLU HA H 17 4.354 4.358 -0.004 1
1 123 . 13 1 1 A 17 17 GLU N N 17 114.338 112.704 1.634 1
1 124 . 13 1 1 A 18 18 GLY H H 18 8.069 7.969 0.100 1
1 125 . 13 1 1 A 18 18 GLY HA2 H 18 3.963 3.921 0.042 1
1 126 . 13 1 1 A 18 18 GLY HA3 H 18 3.510 3.965 -0.455 1
1 127 . 13 1 1 A 18 18 GLY N N 18 105.574 110.847 -5.273 1
1 128 . 13 1 1 A 19 19 ASP H H 19 8.141 8.490 -0.349 1
1 129 . 13 1 1 A 19 19 ASP HA H 19 5.198 5.153 0.045 1
1 132 . 13 1 1 A 19 19 ASP N N 19 117.708 122.577 -4.869 1
1 133 . 13 1 1 A 20 20 PRO HA H 20 4.005 4.452 -0.447 1
1 140 . 13 1 1 A 21 21 ASP H H 21 9.391 8.365 1.026 1
1 141 . 13 1 1 A 21 21 ASP HA H 21 4.473 4.413 0.060 1
1 144 . 13 1 1 A 21 21 ASP N N 21 120.881 116.662 4.219 1
1 145 . 13 1 1 A 22 22 ASN H H 22 7.663 7.970 -0.307 1
1 146 . 13 1 1 A 22 22 ASN HA H 22 5.078 5.039 0.039 1
1 151 . 13 1 1 A 22 22 ASN N N 22 114.971 112.615 2.356 1
1 152 . 13 1 1 A 23 23 GLY H H 23 7.678 8.664 -0.986 1
1 153 . 13 1 1 A 23 23 GLY HA2 H 23 4.165 3.868 0.297 1
1 154 . 13 1 1 A 23 23 GLY HA3 H 23 3.789 3.871 -0.082 1
1 155 . 13 1 1 A 23 23 GLY N N 23 105.605 106.792 -1.187 1
1 156 . 13 1 1 A 24 24 VAL H H 24 7.556 8.399 -0.843 1
1 157 . 13 1 1 A 24 24 VAL HA H 24 4.167 4.586 -0.419 1
1 165 . 13 1 1 A 24 24 VAL N N 24 122.396 122.724 -0.328 1
1 166 . 13 1 1 A 25 25 LYS H H 25 8.552 8.543 0.009 1
1 167 . 13 1 1 A 25 25 LYS HA H 25 4.414 4.302 0.112 1
1 174 . 13 1 1 A 25 25 LYS N N 25 128.930 127.506 1.424 1
1 175 . 13 1 1 A 26 26 PRO HA H 26 3.683 4.414 -0.731 1
1 180 . 13 1 1 A 27 27 GLY H H 27 8.708 8.364 0.344 1
1 181 . 13 1 1 A 27 27 GLY HA2 H 27 4.172 4.063 0.109 1
1 182 . 13 1 1 A 27 27 GLY HA3 H 27 3.419 4.064 -0.645 1
1 183 . 13 1 1 A 27 27 GLY N N 27 112.997 112.865 0.132 1
1 184 . 13 1 1 A 28 28 THR H H 28 7.133 8.007 -0.874 1
1 185 . 13 1 1 A 28 28 THR HA H 28 4.197 4.797 -0.600 1
1 191 . 13 1 1 A 28 28 THR N N 28 117.317 114.958 2.359 1
1 192 . 13 1 1 A 29 29 SER H H 29 9.543 9.047 0.496 1
1 193 . 13 1 1 A 29 29 SER HA H 29 3.951 4.663 -0.712 1
1 195 . 13 1 1 A 29 29 SER N N 29 127.007 122.377 4.630 1
1 196 . 13 1 1 A 30 30 PHE H H 30 9.546 9.035 0.511 1
1 197 . 13 1 1 A 30 30 PHE HA H 30 3.288 3.955 -0.667 1
1 205 . 13 1 1 A 30 30 PHE N N 30 124.800 122.253 2.547 1
1 206 . 13 1 1 A 31 31 ASP H H 31 7.915 8.348 -0.433 1
1 207 . 13 1 1 A 31 31 ASP HA H 31 4.005 4.458 -0.453 1
1 210 . 13 1 1 A 31 31 ASP N N 31 114.735 118.807 -4.072 1
1 211 . 13 1 1 A 32 32 ASP H H 32 7.330 7.844 -0.514 1
1 212 . 13 1 1 A 32 32 ASP HA H 32 4.524 4.641 -0.117 1
1 215 . 13 1 1 A 32 32 ASP N N 32 117.008 117.968 -0.960 1
1 216 . 13 1 1 A 33 33 LEU H H 33 6.802 7.517 -0.715 1
1 217 . 13 1 1 A 33 33 LEU HA H 33 3.773 4.102 -0.329 1
1 227 . 13 1 1 A 33 33 LEU N N 33 123.359 122.093 1.266 1
1 228 . 13 1 1 A 34 34 PRO HA H 34 4.277 4.566 -0.289 1
1 235 . 13 1 1 A 35 35 ALA H H 35 7.896 8.395 -0.499 1
1 236 . 13 1 1 A 35 35 ALA HA H 35 3.932 4.408 -0.476 1
1 240 . 13 1 1 A 35 35 ALA N N 35 129.585 121.225 8.360 1
1 241 . 13 1 1 A 36 36 ASP H H 36 8.216 7.976 0.240 1
1 242 . 13 1 1 A 36 36 ASP HA H 36 4.555 4.891 -0.336 1
1 245 . 13 1 1 A 36 36 ASP N N 36 112.620 117.407 -4.787 1
1 246 . 13 1 1 A 37 37 TRP H H 37 7.625 7.781 -0.156 1
1 247 . 13 1 1 A 37 37 TRP HA H 37 4.112 4.797 -0.685 1
1 256 . 13 1 1 A 37 37 TRP N N 37 123.123 123.017 0.106 1
1 257 . 13 1 1 A 38 38 VAL H H 38 6.310 8.712 -2.402 1
1 258 . 13 1 1 A 38 38 VAL HA H 38 4.395 4.554 -0.159 1
1 266 . 13 1 1 A 38 38 VAL N N 38 117.596 119.489 -1.893 1
1 267 . 13 1 1 A 39 39 CYS H H 39 8.991 8.664 0.327 1
1 268 . 13 1 1 A 39 39 CYS HA H 39 3.817 4.213 -0.396 1
1 271 . 13 1 1 A 39 39 CYS N N 39 121.584 122.419 -0.835 1
1 272 . 13 1 1 A 40 40 PRO HA H 40 4.075 4.460 -0.385 1
1 279 . 13 1 1 A 41 41 VAL H H 41 8.754 7.807 0.947 1
1 280 . 13 1 1 A 41 41 VAL HA H 41 3.893 3.864 0.029 1
1 288 . 13 1 1 A 41 41 VAL N N 41 123.419 115.280 8.139 1
1 289 . 13 1 1 A 42 42 CYS H H 42 8.824 8.129 0.695 1
1 290 . 13 1 1 A 42 42 CYS HA H 42 4.893 4.580 0.313 1
1 293 . 13 1 1 A 42 42 CYS N N 42 121.044 115.124 5.920 1
1 294 . 13 1 1 A 43 43 GLY H H 43 7.892 7.744 0.148 1
1 295 . 13 1 1 A 43 43 GLY HA2 H 43 3.526 3.942 -0.416 1
1 296 . 13 1 1 A 43 43 GLY HA3 H 43 4.055 3.998 0.057 1
1 297 . 13 1 1 A 43 43 GLY N N 43 112.916 109.212 3.704 1
1 298 . 13 1 1 A 44 44 ALA H H 44 9.156 7.996 1.160 1
1 299 . 13 1 1 A 44 44 ALA HA H 44 4.395 4.803 -0.408 1
1 303 . 13 1 1 A 44 44 ALA N N 44 129.120 122.270 6.850 1
1 310 . 13 1 1 A 46 46 LYS H H 46 8.229 8.624 -0.395 1
1 311 . 13 1 1 A 46 46 LYS HA H 46 4.117 4.116 0.001 1
1 320 . 13 1 1 A 46 46 LYS N N 46 118.692 122.900 -4.208 1
1 321 . 13 1 1 A 47 47 SER H H 47 8.070 8.129 -0.059 1
1 322 . 13 1 1 A 47 47 SER HA H 47 4.377 4.369 0.008 1
1 323 . 13 1 1 A 47 47 SER N N 47 110.772 117.279 -6.507 1
1 324 . 13 1 1 A 48 48 GLU H H 48 8.476 7.866 0.610 1
1 329 . 13 1 1 A 48 48 GLU N N 48 119.845 118.721 1.124 1
1 330 . 13 1 1 A 49 49 PHE H H 49 8.116 7.676 0.440 1
1 331 . 13 1 1 A 49 49 PHE HA H 49 5.436 4.904 0.532 1
1 339 . 13 1 1 A 49 49 PHE N N 49 122.914 119.977 2.937 1
1 340 . 13 1 1 A 50 50 GLU H H 50 9.055 8.974 0.081 1
1 345 . 13 1 1 A 50 50 GLU N N 50 119.977 120.304 -0.327 1
1 346 . 13 1 1 A 51 51 ALA H H 51 8.557 8.846 -0.289 1
1 347 . 13 1 1 A 51 51 ALA HA H 51 3.306 3.693 -0.387 1
1 351 . 13 1 1 A 51 51 ALA N N 51 127.085 123.811 3.274 1
1 5 . 14 1 1 A 2 2 LYS HA H 2 4.325 3.831 0.494 1
1 12 . 14 1 1 A 3 3 LYS H H 3 8.325 nan 8.325 1
1 13 . 14 1 1 A 3 3 LYS HA H 3 4.881 4.987 -0.106 1
1 22 . 14 1 1 A 3 3 LYS N N 3 121.705 119.311 2.394 1
1 23 . 14 1 1 A 4 4 TYR H H 4 8.556 nan 8.556 1
1 24 . 14 1 1 A 4 4 TYR HA H 4 4.931 5.691 -0.760 1
1 31 . 14 1 1 A 4 4 TYR N N 4 120.748 119.559 1.189 1
1 32 . 14 1 1 A 5 5 VAL H H 5 9.498 nan 9.498 1
1 33 . 14 1 1 A 5 5 VAL HA H 5 5.132 4.799 0.333 1
1 41 . 14 1 1 A 5 5 VAL N N 5 120.677 118.294 2.383 1
1 42 . 14 1 1 A 6 6 CYS H H 6 9.438 nan 9.438 1
1 43 . 14 1 1 A 6 6 CYS HA H 6 2.742 4.047 -1.305 1
1 46 . 14 1 1 A 6 6 CYS N N 6 131.360 124.527 6.833 1
1 47 . 14 1 1 A 7 7 THR H H 7 8.289 nan 8.289 1
1 48 . 14 1 1 A 7 7 THR HA H 7 4.365 4.232 0.133 1
1 53 . 14 1 1 A 7 7 THR N N 7 122.494 121.027 1.467 1
1 54 . 14 1 1 A 8 8 VAL H H 8 9.102 nan 9.102 1
1 55 . 14 1 1 A 8 8 VAL HA H 8 3.934 3.852 0.082 1
1 63 . 14 1 1 A 8 8 VAL N N 8 126.451 120.781 5.670 1
1 64 . 14 1 1 A 9 9 CYS H H 9 9.195 nan 9.195 1
1 65 . 14 1 1 A 9 9 CYS HA H 9 4.980 4.449 0.531 1
1 68 . 14 1 1 A 9 9 CYS N N 9 121.274 116.702 4.572 1
1 69 . 14 1 1 A 10 10 GLY H H 10 7.821 7.909 -0.088 1
1 70 . 14 1 1 A 10 10 GLY HA2 H 10 3.663 4.003 -0.340 1
1 71 . 14 1 1 A 10 10 GLY HA3 H 10 4.251 4.028 0.223 1
1 72 . 14 1 1 A 10 10 GLY N N 10 113.067 107.902 5.165 1
1 73 . 14 1 1 A 11 11 TYR H H 11 9.393 nan 9.393 1
1 74 . 14 1 1 A 11 11 TYR HA H 11 4.213 4.694 -0.481 1
1 81 . 14 1 1 A 11 11 TYR N N 11 128.218 121.747 6.471 1
1 82 . 14 1 1 A 12 12 GLU H H 12 7.456 nan 7.456 1
1 83 . 14 1 1 A 12 12 GLU HA H 12 4.887 4.702 0.185 1
1 88 . 14 1 1 A 12 12 GLU N N 12 127.210 125.672 1.538 1
1 89 . 14 1 1 A 13 13 TYR H H 13 9.540 nan 9.540 1
1 90 . 14 1 1 A 13 13 TYR HA H 13 4.445 4.891 -0.446 1
1 98 . 14 1 1 A 13 13 TYR N N 13 125.578 125.140 0.438 1
1 99 . 14 1 1 A 14 14 ASP H H 14 8.390 nan 8.390 1
1 100 . 14 1 1 A 14 14 ASP HA H 14 5.013 4.922 0.091 1
1 103 . 14 1 1 A 14 14 ASP N N 14 128.076 128.563 -0.487 1
1 104 . 14 1 1 A 15 15 PRO HA H 15 4.008 4.139 -0.131 1
1 111 . 14 1 1 A 16 16 ALA H H 16 7.897 nan 7.897 1
1 112 . 14 1 1 A 16 16 ALA HA H 16 3.910 3.927 -0.017 1
1 116 . 14 1 1 A 16 16 ALA N N 16 116.302 119.221 -2.919 1
1 117 . 14 1 1 A 17 17 GLU H H 17 7.388 nan 7.388 1
1 118 . 14 1 1 A 17 17 GLU HA H 17 4.354 4.376 -0.022 1
1 123 . 14 1 1 A 17 17 GLU N N 17 114.338 115.318 -0.980 1
1 124 . 14 1 1 A 18 18 GLY H H 18 8.069 7.485 0.584 1
1 125 . 14 1 1 A 18 18 GLY HA2 H 18 3.963 4.018 -0.055 1
1 126 . 14 1 1 A 18 18 GLY HA3 H 18 3.510 4.039 -0.529 1
1 127 . 14 1 1 A 18 18 GLY N N 18 105.574 107.264 -1.690 1
1 128 . 14 1 1 A 19 19 ASP H H 19 8.141 nan 8.141 1
1 129 . 14 1 1 A 19 19 ASP HA H 19 5.198 5.077 0.121 1
1 132 . 14 1 1 A 19 19 ASP N N 19 117.708 121.655 -3.947 1
1 133 . 14 1 1 A 20 20 PRO HA H 20 4.005 4.481 -0.476 1
1 140 . 14 1 1 A 21 21 ASP H H 21 9.391 nan 9.391 1
1 141 . 14 1 1 A 21 21 ASP HA H 21 4.473 4.320 0.153 1
1 144 . 14 1 1 A 21 21 ASP N N 21 120.881 118.044 2.837 1
1 145 . 14 1 1 A 22 22 ASN H H 22 7.663 nan 7.663 1
1 146 . 14 1 1 A 22 22 ASN HA H 22 5.078 4.628 0.450 1
1 151 . 14 1 1 A 22 22 ASN N N 22 114.971 115.063 -0.092 1
1 152 . 14 1 1 A 23 23 GLY H H 23 7.678 7.109 0.569 1
1 153 . 14 1 1 A 23 23 GLY HA2 H 23 4.165 4.173 -0.008 1
1 154 . 14 1 1 A 23 23 GLY HA3 H 23 3.789 4.173 -0.384 1
1 155 . 14 1 1 A 23 23 GLY N N 23 105.605 103.326 2.279 1
1 156 . 14 1 1 A 24 24 VAL H H 24 7.556 nan 7.556 1
1 157 . 14 1 1 A 24 24 VAL HA H 24 4.167 4.790 -0.623 1
1 165 . 14 1 1 A 24 24 VAL N N 24 122.396 120.677 1.719 1
1 166 . 14 1 1 A 25 25 LYS H H 25 8.552 nan 8.552 1
1 167 . 14 1 1 A 25 25 LYS HA H 25 4.414 4.667 -0.253 1
1 174 . 14 1 1 A 25 25 LYS N N 25 128.930 124.455 4.475 1
1 175 . 14 1 1 A 26 26 PRO HA H 26 3.683 4.587 -0.904 1
1 180 . 14 1 1 A 27 27 GLY H H 27 8.708 8.060 0.648 1
1 181 . 14 1 1 A 27 27 GLY HA2 H 27 4.172 4.094 0.078 1
1 182 . 14 1 1 A 27 27 GLY HA3 H 27 3.419 4.094 -0.675 1
1 183 . 14 1 1 A 27 27 GLY N N 27 112.997 107.114 5.883 1
1 184 . 14 1 1 A 28 28 THR H H 28 7.133 nan 7.133 1
1 185 . 14 1 1 A 28 28 THR HA H 28 4.197 4.861 -0.664 1
1 191 . 14 1 1 A 28 28 THR N N 28 117.317 115.566 1.751 1
1 192 . 14 1 1 A 29 29 SER H H 29 9.543 nan 9.543 1
1 193 . 14 1 1 A 29 29 SER HA H 29 3.951 4.578 -0.627 1
1 195 . 14 1 1 A 29 29 SER N N 29 127.007 122.424 4.583 1
1 196 . 14 1 1 A 30 30 PHE H H 30 9.546 nan 9.546 1
1 197 . 14 1 1 A 30 30 PHE HA H 30 3.288 3.902 -0.614 1
1 205 . 14 1 1 A 30 30 PHE N N 30 124.800 123.709 1.091 1
1 206 . 14 1 1 A 31 31 ASP H H 31 7.915 nan 7.915 1
1 207 . 14 1 1 A 31 31 ASP HA H 31 4.005 4.571 -0.566 1
1 210 . 14 1 1 A 31 31 ASP N N 31 114.735 118.981 -4.246 1
1 211 . 14 1 1 A 32 32 ASP H H 32 7.330 nan 7.330 1
1 212 . 14 1 1 A 32 32 ASP HA H 32 4.524 4.678 -0.154 1
1 215 . 14 1 1 A 32 32 ASP N N 32 117.008 117.268 -0.260 1
1 216 . 14 1 1 A 33 33 LEU H H 33 6.802 nan 6.802 1
1 217 . 14 1 1 A 33 33 LEU HA H 33 3.773 4.227 -0.454 1
1 227 . 14 1 1 A 33 33 LEU N N 33 123.359 121.583 1.776 1
1 228 . 14 1 1 A 34 34 PRO HA H 34 4.277 4.538 -0.261 1
1 235 . 14 1 1 A 35 35 ALA H H 35 7.896 nan 7.896 1
1 236 . 14 1 1 A 35 35 ALA HA H 35 3.932 4.107 -0.175 1
1 240 . 14 1 1 A 35 35 ALA N N 35 129.585 123.002 6.583 1
1 241 . 14 1 1 A 36 36 ASP H H 36 8.216 nan 8.216 1
1 242 . 14 1 1 A 36 36 ASP HA H 36 4.555 4.705 -0.150 1
1 245 . 14 1 1 A 36 36 ASP N N 36 112.620 115.929 -3.309 1
1 246 . 14 1 1 A 37 37 TRP H H 37 7.625 nan 7.625 1
1 247 . 14 1 1 A 37 37 TRP HA H 37 4.112 4.866 -0.754 1
1 256 . 14 1 1 A 37 37 TRP N N 37 123.123 123.156 -0.033 1
1 257 . 14 1 1 A 38 38 VAL H H 38 6.310 nan 6.310 1
1 258 . 14 1 1 A 38 38 VAL HA H 38 4.395 4.692 -0.297 1
1 266 . 14 1 1 A 38 38 VAL N N 38 117.596 120.066 -2.470 1
1 267 . 14 1 1 A 39 39 CYS H H 39 8.991 nan 8.991 1
1 268 . 14 1 1 A 39 39 CYS HA H 39 3.817 4.132 -0.315 1
1 271 . 14 1 1 A 39 39 CYS N N 39 121.584 122.672 -1.088 1
1 272 . 14 1 1 A 40 40 PRO HA H 40 4.075 4.432 -0.357 1
1 279 . 14 1 1 A 41 41 VAL H H 41 8.754 nan 8.754 1
1 280 . 14 1 1 A 41 41 VAL HA H 41 3.893 3.836 0.057 1
1 288 . 14 1 1 A 41 41 VAL N N 41 123.419 115.247 8.172 1
1 289 . 14 1 1 A 42 42 CYS H H 42 8.824 nan 8.824 1
1 290 . 14 1 1 A 42 42 CYS HA H 42 4.893 4.577 0.316 1
1 293 . 14 1 1 A 42 42 CYS N N 42 121.044 115.084 5.960 1
1 294 . 14 1 1 A 43 43 GLY H H 43 7.892 7.762 0.130 1
1 295 . 14 1 1 A 43 43 GLY HA2 H 43 3.526 3.940 -0.414 1
1 296 . 14 1 1 A 43 43 GLY HA3 H 43 4.055 3.997 0.058 1
1 297 . 14 1 1 A 43 43 GLY N N 43 112.916 109.224 3.692 1
1 298 . 14 1 1 A 44 44 ALA H H 44 9.156 nan 9.156 1
1 299 . 14 1 1 A 44 44 ALA HA H 44 4.395 4.707 -0.312 1
1 303 . 14 1 1 A 44 44 ALA N N 44 129.120 123.148 5.972 1
1 310 . 14 1 1 A 46 46 LYS H H 46 8.229 nan 8.229 1
1 311 . 14 1 1 A 46 46 LYS HA H 46 4.117 3.952 0.165 1
1 320 . 14 1 1 A 46 46 LYS N N 46 118.692 121.968 -3.276 1
1 321 . 14 1 1 A 47 47 SER H H 47 8.070 nan 8.070 1
1 322 . 14 1 1 A 47 47 SER HA H 47 4.377 4.384 -0.007 1
1 323 . 14 1 1 A 47 47 SER N N 47 110.772 115.277 -4.505 1
1 324 . 14 1 1 A 48 48 GLU H H 48 8.476 nan 8.476 1
1 329 . 14 1 1 A 48 48 GLU N N 48 119.845 118.207 1.638 1
1 330 . 14 1 1 A 49 49 PHE H H 49 8.116 nan 8.116 1
1 331 . 14 1 1 A 49 49 PHE HA H 49 5.436 5.531 -0.095 1
1 339 . 14 1 1 A 49 49 PHE N N 49 122.914 119.064 3.850 1
1 340 . 14 1 1 A 50 50 GLU H H 50 9.055 nan 9.055 1
1 345 . 14 1 1 A 50 50 GLU N N 50 119.977 123.480 -3.503 1
1 346 . 14 1 1 A 51 51 ALA H H 51 8.557 nan 8.557 1
1 347 . 14 1 1 A 51 51 ALA HA H 51 3.306 4.421 -1.115 1
1 351 . 14 1 1 A 51 51 ALA N N 51 127.085 124.397 2.688 1
1 5 . 15 1 1 A 2 2 LYS HA H 2 4.325 4.324 0.001 1
1 12 . 15 1 1 A 3 3 LYS H H 3 8.325 8.844 -0.519 1
1 13 . 15 1 1 A 3 3 LYS HA H 3 4.881 5.311 -0.430 1
1 22 . 15 1 1 A 3 3 LYS N N 3 121.705 125.860 -4.155 1
1 23 . 15 1 1 A 4 4 TYR H H 4 8.556 8.873 -0.317 1
1 24 . 15 1 1 A 4 4 TYR HA H 4 4.931 5.385 -0.454 1
1 31 . 15 1 1 A 4 4 TYR N N 4 120.748 123.512 -2.764 1
1 32 . 15 1 1 A 5 5 VAL H H 5 9.498 8.908 0.590 1
1 33 . 15 1 1 A 5 5 VAL HA H 5 5.132 5.162 -0.030 1
1 41 . 15 1 1 A 5 5 VAL N N 5 120.677 118.193 2.484 1
1 42 . 15 1 1 A 6 6 CYS H H 6 9.438 8.760 0.678 1
1 43 . 15 1 1 A 6 6 CYS HA H 6 2.742 4.255 -1.513 1
1 46 . 15 1 1 A 6 6 CYS N N 6 131.360 125.562 5.798 1
1 47 . 15 1 1 A 7 7 THR H H 7 8.289 8.794 -0.505 1
1 48 . 15 1 1 A 7 7 THR HA H 7 4.365 4.236 0.129 1
1 53 . 15 1 1 A 7 7 THR N N 7 122.494 120.870 1.624 1
1 54 . 15 1 1 A 8 8 VAL H H 8 9.102 7.709 1.393 1
1 55 . 15 1 1 A 8 8 VAL HA H 8 3.934 3.839 0.095 1
1 63 . 15 1 1 A 8 8 VAL N N 8 126.451 120.618 5.833 1
1 64 . 15 1 1 A 9 9 CYS H H 9 9.195 7.826 1.369 1
1 65 . 15 1 1 A 9 9 CYS HA H 9 4.980 4.447 0.533 1
1 68 . 15 1 1 A 9 9 CYS N N 9 121.274 116.795 4.479 1
1 69 . 15 1 1 A 10 10 GLY H H 10 7.821 8.037 -0.216 1
1 70 . 15 1 1 A 10 10 GLY HA2 H 10 3.663 3.990 -0.327 1
1 71 . 15 1 1 A 10 10 GLY HA3 H 10 4.251 4.015 0.236 1
1 72 . 15 1 1 A 10 10 GLY N N 10 113.067 108.193 4.874 1
1 73 . 15 1 1 A 11 11 TYR H H 11 9.393 7.889 1.504 1
1 74 . 15 1 1 A 11 11 TYR HA H 11 4.213 4.606 -0.393 1
1 81 . 15 1 1 A 11 11 TYR N N 11 128.218 121.989 6.229 1
1 82 . 15 1 1 A 12 12 GLU H H 12 7.456 8.683 -1.227 1
1 83 . 15 1 1 A 12 12 GLU HA H 12 4.887 4.839 0.048 1
1 88 . 15 1 1 A 12 12 GLU N N 12 127.210 124.625 2.585 1
1 89 . 15 1 1 A 13 13 TYR H H 13 9.540 8.837 0.703 1
1 90 . 15 1 1 A 13 13 TYR HA H 13 4.445 4.604 -0.159 1
1 98 . 15 1 1 A 13 13 TYR N N 13 125.578 125.981 -0.403 1
1 99 . 15 1 1 A 14 14 ASP H H 14 8.390 8.564 -0.174 1
1 100 . 15 1 1 A 14 14 ASP HA H 14 5.013 4.927 0.086 1
1 103 . 15 1 1 A 14 14 ASP N N 14 128.076 128.554 -0.478 1
1 104 . 15 1 1 A 15 15 PRO HA H 15 4.008 4.158 -0.150 1
1 111 . 15 1 1 A 16 16 ALA H H 16 7.897 8.305 -0.408 1
1 112 . 15 1 1 A 16 16 ALA HA H 16 3.910 4.133 -0.223 1
1 116 . 15 1 1 A 16 16 ALA N N 16 116.302 121.033 -4.731 1
1 117 . 15 1 1 A 17 17 GLU H H 17 7.388 7.915 -0.527 1
1 118 . 15 1 1 A 17 17 GLU HA H 17 4.354 4.403 -0.049 1
1 123 . 15 1 1 A 17 17 GLU N N 17 114.338 113.956 0.382 1
1 124 . 15 1 1 A 18 18 GLY H H 18 8.069 7.832 0.237 1
1 125 . 15 1 1 A 18 18 GLY HA2 H 18 3.963 4.027 -0.064 1
1 126 . 15 1 1 A 18 18 GLY HA3 H 18 3.510 4.044 -0.534 1
1 127 . 15 1 1 A 18 18 GLY N N 18 105.574 108.472 -2.898 1
1 128 . 15 1 1 A 19 19 ASP H H 19 8.141 8.500 -0.359 1
1 129 . 15 1 1 A 19 19 ASP HA H 19 5.198 5.450 -0.252 1
1 132 . 15 1 1 A 19 19 ASP N N 19 117.708 119.206 -1.498 1
1 133 . 15 1 1 A 20 20 PRO HA H 20 4.005 4.471 -0.466 1
1 140 . 15 1 1 A 21 21 ASP H H 21 9.391 8.315 1.076 1
1 141 . 15 1 1 A 21 21 ASP HA H 21 4.473 4.403 0.070 1
1 144 . 15 1 1 A 21 21 ASP N N 21 120.881 118.757 2.124 1
1 145 . 15 1 1 A 22 22 ASN H H 22 7.663 7.952 -0.289 1
1 146 . 15 1 1 A 22 22 ASN HA H 22 5.078 4.667 0.411 1
1 151 . 15 1 1 A 22 22 ASN N N 22 114.971 113.031 1.940 1
1 152 . 15 1 1 A 23 23 GLY H H 23 7.678 7.532 0.146 1
1 153 . 15 1 1 A 23 23 GLY HA2 H 23 4.165 4.064 0.101 1
1 154 . 15 1 1 A 23 23 GLY HA3 H 23 3.789 4.066 -0.277 1
1 155 . 15 1 1 A 23 23 GLY N N 23 105.605 108.168 -2.563 1
1 156 . 15 1 1 A 24 24 VAL H H 24 7.556 7.737 -0.181 1
1 157 . 15 1 1 A 24 24 VAL HA H 24 4.167 4.734 -0.567 1
1 165 . 15 1 1 A 24 24 VAL N N 24 122.396 119.042 3.354 1
1 166 . 15 1 1 A 25 25 LYS H H 25 8.552 8.480 0.072 1
1 167 . 15 1 1 A 25 25 LYS HA H 25 4.414 4.718 -0.304 1
1 174 . 15 1 1 A 25 25 LYS N N 25 128.930 123.684 5.246 1
1 175 . 15 1 1 A 26 26 PRO HA H 26 3.683 4.921 -1.238 1
1 180 . 15 1 1 A 27 27 GLY H H 27 8.708 8.072 0.636 1
1 181 . 15 1 1 A 27 27 GLY HA2 H 27 4.172 4.132 0.040 1
1 182 . 15 1 1 A 27 27 GLY HA3 H 27 3.419 4.137 -0.718 1
1 183 . 15 1 1 A 27 27 GLY N N 27 112.997 107.343 5.654 1
1 184 . 15 1 1 A 28 28 THR H H 28 7.133 8.492 -1.359 1
1 185 . 15 1 1 A 28 28 THR HA H 28 4.197 4.928 -0.731 1
1 191 . 15 1 1 A 28 28 THR N N 28 117.317 117.342 -0.025 1
1 192 . 15 1 1 A 29 29 SER H H 29 9.543 8.988 0.555 1
1 193 . 15 1 1 A 29 29 SER HA H 29 3.951 4.710 -0.759 1
1 195 . 15 1 1 A 29 29 SER N N 29 127.007 122.608 4.399 1
1 196 . 15 1 1 A 30 30 PHE H H 30 9.546 9.092 0.454 1
1 197 . 15 1 1 A 30 30 PHE HA H 30 3.288 3.893 -0.605 1
1 205 . 15 1 1 A 30 30 PHE N N 30 124.800 122.194 2.606 1
1 206 . 15 1 1 A 31 31 ASP H H 31 7.915 8.357 -0.442 1
1 207 . 15 1 1 A 31 31 ASP HA H 31 4.005 4.493 -0.488 1
1 210 . 15 1 1 A 31 31 ASP N N 31 114.735 118.552 -3.817 1
1 211 . 15 1 1 A 32 32 ASP H H 32 7.330 7.827 -0.497 1
1 212 . 15 1 1 A 32 32 ASP HA H 32 4.524 4.726 -0.202 1
1 215 . 15 1 1 A 32 32 ASP N N 32 117.008 117.797 -0.789 1
1 216 . 15 1 1 A 33 33 LEU H H 33 6.802 7.375 -0.573 1
1 217 . 15 1 1 A 33 33 LEU HA H 33 3.773 4.240 -0.467 1
1 227 . 15 1 1 A 33 33 LEU N N 33 123.359 121.818 1.541 1
1 228 . 15 1 1 A 34 34 PRO HA H 34 4.277 4.547 -0.270 1
1 235 . 15 1 1 A 35 35 ALA H H 35 7.896 8.422 -0.526 1
1 236 . 15 1 1 A 35 35 ALA HA H 35 3.932 4.282 -0.350 1
1 240 . 15 1 1 A 35 35 ALA N N 35 129.585 122.809 6.776 1
1 241 . 15 1 1 A 36 36 ASP H H 36 8.216 8.381 -0.165 1
1 242 . 15 1 1 A 36 36 ASP HA H 36 4.555 4.755 -0.200 1
1 245 . 15 1 1 A 36 36 ASP N N 36 112.620 116.550 -3.930 1
1 246 . 15 1 1 A 37 37 TRP H H 37 7.625 7.749 -0.124 1
1 247 . 15 1 1 A 37 37 TRP HA H 37 4.112 4.600 -0.488 1
1 256 . 15 1 1 A 37 37 TRP N N 37 123.123 122.286 0.837 1
1 257 . 15 1 1 A 38 38 VAL H H 38 6.310 8.578 -2.268 1
1 258 . 15 1 1 A 38 38 VAL HA H 38 4.395 4.762 -0.367 1
1 266 . 15 1 1 A 38 38 VAL N N 38 117.596 120.132 -2.536 1
1 267 . 15 1 1 A 39 39 CYS H H 39 8.991 8.656 0.335 1
1 268 . 15 1 1 A 39 39 CYS HA H 39 3.817 4.260 -0.443 1
1 271 . 15 1 1 A 39 39 CYS N N 39 121.584 122.410 -0.826 1
1 272 . 15 1 1 A 40 40 PRO HA H 40 4.075 4.473 -0.398 1
1 279 . 15 1 1 A 41 41 VAL H H 41 8.754 7.765 0.989 1
1 280 . 15 1 1 A 41 41 VAL HA H 41 3.893 3.867 0.026 1
1 288 . 15 1 1 A 41 41 VAL N N 41 123.419 115.728 7.691 1
1 289 . 15 1 1 A 42 42 CYS H H 42 8.824 8.082 0.742 1
1 290 . 15 1 1 A 42 42 CYS HA H 42 4.893 4.566 0.327 1
1 293 . 15 1 1 A 42 42 CYS N N 42 121.044 115.086 5.958 1
1 294 . 15 1 1 A 43 43 GLY H H 43 7.892 7.831 0.061 1
1 295 . 15 1 1 A 43 43 GLY HA2 H 43 3.526 3.947 -0.421 1
1 296 . 15 1 1 A 43 43 GLY HA3 H 43 4.055 4.001 0.054 1
1 297 . 15 1 1 A 43 43 GLY N N 43 112.916 109.349 3.567 1
1 298 . 15 1 1 A 44 44 ALA H H 44 9.156 7.878 1.278 1
1 299 . 15 1 1 A 44 44 ALA HA H 44 4.395 4.758 -0.363 1
1 303 . 15 1 1 A 44 44 ALA N N 44 129.120 122.578 6.542 1
1 310 . 15 1 1 A 46 46 LYS H H 46 8.229 8.570 -0.341 1
1 311 . 15 1 1 A 46 46 LYS HA H 46 4.117 4.011 0.106 1
1 320 . 15 1 1 A 46 46 LYS N N 46 118.692 120.412 -1.720 1
1 321 . 15 1 1 A 47 47 SER H H 47 8.070 8.141 -0.071 1
1 322 . 15 1 1 A 47 47 SER HA H 47 4.377 4.421 -0.044 1
1 323 . 15 1 1 A 47 47 SER N N 47 110.772 116.190 -5.418 1
1 324 . 15 1 1 A 48 48 GLU H H 48 8.476 7.802 0.674 1
1 329 . 15 1 1 A 48 48 GLU N N 48 119.845 117.778 2.067 1
1 330 . 15 1 1 A 49 49 PHE H H 49 8.116 7.474 0.642 1
1 331 . 15 1 1 A 49 49 PHE HA H 49 5.436 5.681 -0.245 1
1 339 . 15 1 1 A 49 49 PHE N N 49 122.914 120.239 2.675 1
1 340 . 15 1 1 A 50 50 GLU H H 50 9.055 8.804 0.251 1
1 345 . 15 1 1 A 50 50 GLU N N 50 119.977 123.583 -3.606 1
1 346 . 15 1 1 A 51 51 ALA H H 51 8.557 8.865 -0.308 1
1 347 . 15 1 1 A 51 51 ALA HA H 51 3.306 3.894 -0.588 1
1 351 . 15 1 1 A 51 51 ALA N N 51 127.085 126.065 1.020 1
1 5 . 16 1 1 A 2 2 LYS HA H 2 4.325 4.210 0.115 1
1 12 . 16 1 1 A 3 3 LYS H H 3 8.325 7.458 0.867 1
1 13 . 16 1 1 A 3 3 LYS HA H 3 4.881 4.463 0.418 1
1 22 . 16 1 1 A 3 3 LYS N N 3 121.705 120.869 0.836 1
1 23 . 16 1 1 A 4 4 TYR H H 4 8.556 8.907 -0.351 1
1 24 . 16 1 1 A 4 4 TYR HA H 4 4.931 5.199 -0.268 1
1 31 . 16 1 1 A 4 4 TYR N N 4 120.748 123.888 -3.140 1
1 32 . 16 1 1 A 5 5 VAL H H 5 9.498 8.910 0.588 1
1 33 . 16 1 1 A 5 5 VAL HA H 5 5.132 5.131 0.001 1
1 41 . 16 1 1 A 5 5 VAL N N 5 120.677 120.863 -0.186 1
1 42 . 16 1 1 A 6 6 CYS H H 6 9.438 8.591 0.847 1
1 43 . 16 1 1 A 6 6 CYS HA H 6 2.742 4.114 -1.372 1
1 46 . 16 1 1 A 6 6 CYS N N 6 131.360 125.901 5.459 1
1 47 . 16 1 1 A 7 7 THR H H 7 8.289 8.746 -0.457 1
1 48 . 16 1 1 A 7 7 THR HA H 7 4.365 4.092 0.273 1
1 53 . 16 1 1 A 7 7 THR N N 7 122.494 122.029 0.465 1
1 54 . 16 1 1 A 8 8 VAL H H 8 9.102 8.019 1.083 1
1 55 . 16 1 1 A 8 8 VAL HA H 8 3.934 3.560 0.374 1
1 63 . 16 1 1 A 8 8 VAL N N 8 126.451 119.841 6.610 1
1 64 . 16 1 1 A 9 9 CYS H H 9 9.195 7.835 1.360 1
1 65 . 16 1 1 A 9 9 CYS HA H 9 4.980 4.534 0.446 1
1 68 . 16 1 1 A 9 9 CYS N N 9 121.274 115.494 5.780 1
1 69 . 16 1 1 A 10 10 GLY H H 10 7.821 7.939 -0.118 1
1 70 . 16 1 1 A 10 10 GLY HA2 H 10 3.663 4.033 -0.370 1
1 71 . 16 1 1 A 10 10 GLY HA3 H 10 4.251 4.049 0.202 1
1 72 . 16 1 1 A 10 10 GLY N N 10 113.067 109.777 3.290 1
1 73 . 16 1 1 A 11 11 TYR H H 11 9.393 7.955 1.438 1
1 74 . 16 1 1 A 11 11 TYR HA H 11 4.213 4.493 -0.280 1
1 81 . 16 1 1 A 11 11 TYR N N 11 128.218 122.111 6.107 1
1 82 . 16 1 1 A 12 12 GLU H H 12 7.456 8.715 -1.259 1
1 83 . 16 1 1 A 12 12 GLU HA H 12 4.887 5.026 -0.139 1
1 88 . 16 1 1 A 12 12 GLU N N 12 127.210 125.683 1.527 1
1 89 . 16 1 1 A 13 13 TYR H H 13 9.540 8.720 0.820 1
1 90 . 16 1 1 A 13 13 TYR HA H 13 4.445 5.421 -0.976 1
1 98 . 16 1 1 A 13 13 TYR N N 13 125.578 125.088 0.490 1
1 99 . 16 1 1 A 14 14 ASP H H 14 8.390 8.793 -0.403 1
1 100 . 16 1 1 A 14 14 ASP HA H 14 5.013 5.073 -0.060 1
1 103 . 16 1 1 A 14 14 ASP N N 14 128.076 127.883 0.193 1
1 104 . 16 1 1 A 15 15 PRO HA H 15 4.008 4.425 -0.417 1
1 111 . 16 1 1 A 16 16 ALA H H 16 7.897 8.266 -0.369 1
1 112 . 16 1 1 A 16 16 ALA HA H 16 3.910 4.071 -0.161 1
1 116 . 16 1 1 A 16 16 ALA N N 16 116.302 121.102 -4.800 1
1 117 . 16 1 1 A 17 17 GLU H H 17 7.388 7.972 -0.584 1
1 118 . 16 1 1 A 17 17 GLU HA H 17 4.354 4.216 0.138 1
1 123 . 16 1 1 A 17 17 GLU N N 17 114.338 113.974 0.364 1
1 124 . 16 1 1 A 18 18 GLY H H 18 8.069 7.866 0.203 1
1 125 . 16 1 1 A 18 18 GLY HA2 H 18 3.963 3.911 0.052 1
1 126 . 16 1 1 A 18 18 GLY HA3 H 18 3.510 4.002 -0.492 1
1 127 . 16 1 1 A 18 18 GLY N N 18 105.574 108.592 -3.018 1
1 128 . 16 1 1 A 19 19 ASP H H 19 8.141 8.580 -0.439 1
1 129 . 16 1 1 A 19 19 ASP HA H 19 5.198 5.239 -0.041 1
1 132 . 16 1 1 A 19 19 ASP N N 19 117.708 121.013 -3.305 1
1 133 . 16 1 1 A 20 20 PRO HA H 20 4.005 4.490 -0.485 1
1 140 . 16 1 1 A 21 21 ASP H H 21 9.391 8.353 1.038 1
1 141 . 16 1 1 A 21 21 ASP HA H 21 4.473 4.384 0.089 1
1 144 . 16 1 1 A 21 21 ASP N N 21 120.881 118.048 2.833 1
1 145 . 16 1 1 A 22 22 ASN H H 22 7.663 8.027 -0.364 1
1 146 . 16 1 1 A 22 22 ASN HA H 22 5.078 4.726 0.352 1
1 151 . 16 1 1 A 22 22 ASN N N 22 114.971 115.009 -0.038 1
1 152 . 16 1 1 A 23 23 GLY H H 23 7.678 7.502 0.176 1
1 153 . 16 1 1 A 23 23 GLY HA2 H 23 4.165 4.204 -0.039 1
1 154 . 16 1 1 A 23 23 GLY HA3 H 23 3.789 4.210 -0.421 1
1 155 . 16 1 1 A 23 23 GLY N N 23 105.605 103.959 1.646 1
1 156 . 16 1 1 A 24 24 VAL H H 24 7.556 7.694 -0.138 1
1 157 . 16 1 1 A 24 24 VAL HA H 24 4.167 4.478 -0.311 1
1 165 . 16 1 1 A 24 24 VAL N N 24 122.396 120.521 1.875 1
1 166 . 16 1 1 A 25 25 LYS H H 25 8.552 8.926 -0.374 1
1 167 . 16 1 1 A 25 25 LYS HA H 25 4.414 5.020 -0.606 1
1 174 . 16 1 1 A 25 25 LYS N N 25 128.930 120.189 8.741 1
1 175 . 16 1 1 A 26 26 PRO HA H 26 3.683 4.412 -0.729 1
1 180 . 16 1 1 A 27 27 GLY H H 27 8.708 8.354 0.354 1
1 181 . 16 1 1 A 27 27 GLY HA2 H 27 4.172 4.043 0.129 1
1 182 . 16 1 1 A 27 27 GLY HA3 H 27 3.419 4.043 -0.624 1
1 183 . 16 1 1 A 27 27 GLY N N 27 112.997 112.817 0.180 1
1 184 . 16 1 1 A 28 28 THR H H 28 7.133 7.908 -0.775 1
1 185 . 16 1 1 A 28 28 THR HA H 28 4.197 4.853 -0.656 1
1 191 . 16 1 1 A 28 28 THR N N 28 117.317 114.773 2.544 1
1 192 . 16 1 1 A 29 29 SER H H 29 9.543 8.901 0.642 1
1 193 . 16 1 1 A 29 29 SER HA H 29 3.951 4.559 -0.608 1
1 195 . 16 1 1 A 29 29 SER N N 29 127.007 122.917 4.090 1
1 196 . 16 1 1 A 30 30 PHE H H 30 9.546 9.035 0.511 1
1 197 . 16 1 1 A 30 30 PHE HA H 30 3.288 3.955 -0.667 1
1 205 . 16 1 1 A 30 30 PHE N N 30 124.800 122.317 2.483 1
1 206 . 16 1 1 A 31 31 ASP H H 31 7.915 8.252 -0.337 1
1 207 . 16 1 1 A 31 31 ASP HA H 31 4.005 4.545 -0.540 1
1 210 . 16 1 1 A 31 31 ASP N N 31 114.735 118.818 -4.083 1
1 211 . 16 1 1 A 32 32 ASP H H 32 7.330 8.014 -0.684 1
1 212 . 16 1 1 A 32 32 ASP HA H 32 4.524 4.686 -0.162 1
1 215 . 16 1 1 A 32 32 ASP N N 32 117.008 117.456 -0.448 1
1 216 . 16 1 1 A 33 33 LEU H H 33 6.802 7.408 -0.606 1
1 217 . 16 1 1 A 33 33 LEU HA H 33 3.773 4.260 -0.487 1
1 227 . 16 1 1 A 33 33 LEU N N 33 123.359 121.566 1.793 1
1 228 . 16 1 1 A 34 34 PRO HA H 34 4.277 4.586 -0.309 1
1 235 . 16 1 1 A 35 35 ALA H H 35 7.896 8.245 -0.349 1
1 236 . 16 1 1 A 35 35 ALA HA H 35 3.932 4.293 -0.361 1
1 240 . 16 1 1 A 35 35 ALA N N 35 129.585 120.973 8.612 1
1 241 . 16 1 1 A 36 36 ASP H H 36 8.216 8.269 -0.053 1
1 242 . 16 1 1 A 36 36 ASP HA H 36 4.555 4.694 -0.139 1
1 245 . 16 1 1 A 36 36 ASP N N 36 112.620 114.450 -1.830 1
1 246 . 16 1 1 A 37 37 TRP H H 37 7.625 7.734 -0.109 1
1 247 . 16 1 1 A 37 37 TRP HA H 37 4.112 4.915 -0.803 1
1 256 . 16 1 1 A 37 37 TRP N N 37 123.123 122.288 0.835 1
1 257 . 16 1 1 A 38 38 VAL H H 38 6.310 8.706 -2.396 1
1 258 . 16 1 1 A 38 38 VAL HA H 38 4.395 4.650 -0.255 1
1 266 . 16 1 1 A 38 38 VAL N N 38 117.596 119.854 -2.258 1
1 267 . 16 1 1 A 39 39 CYS H H 39 8.991 8.492 0.499 1
1 268 . 16 1 1 A 39 39 CYS HA H 39 3.817 4.362 -0.545 1
1 271 . 16 1 1 A 39 39 CYS N N 39 121.584 121.750 -0.166 1
1 272 . 16 1 1 A 40 40 PRO HA H 40 4.075 4.435 -0.360 1
1 279 . 16 1 1 A 41 41 VAL H H 41 8.754 7.744 1.010 1
1 280 . 16 1 1 A 41 41 VAL HA H 41 3.893 3.790 0.103 1
1 288 . 16 1 1 A 41 41 VAL N N 41 123.419 114.974 8.445 1
1 289 . 16 1 1 A 42 42 CYS H H 42 8.824 8.042 0.782 1
1 290 . 16 1 1 A 42 42 CYS HA H 42 4.893 4.595 0.298 1
1 293 . 16 1 1 A 42 42 CYS N N 42 121.044 115.074 5.970 1
1 294 . 16 1 1 A 43 43 GLY H H 43 7.892 7.730 0.162 1
1 295 . 16 1 1 A 43 43 GLY HA2 H 43 3.526 3.938 -0.412 1
1 296 . 16 1 1 A 43 43 GLY HA3 H 43 4.055 3.991 0.064 1
1 297 . 16 1 1 A 43 43 GLY N N 43 112.916 109.141 3.775 1
1 298 . 16 1 1 A 44 44 ALA H H 44 9.156 7.869 1.287 1
1 299 . 16 1 1 A 44 44 ALA HA H 44 4.395 4.718 -0.323 1
1 303 . 16 1 1 A 44 44 ALA N N 44 129.120 123.186 5.934 1
1 310 . 16 1 1 A 46 46 LYS H H 46 8.229 8.538 -0.309 1
1 311 . 16 1 1 A 46 46 LYS HA H 46 4.117 4.101 0.016 1
1 320 . 16 1 1 A 46 46 LYS N N 46 118.692 122.563 -3.871 1
1 321 . 16 1 1 A 47 47 SER H H 47 8.070 8.025 0.045 1
1 322 . 16 1 1 A 47 47 SER HA H 47 4.377 4.398 -0.021 1
1 323 . 16 1 1 A 47 47 SER N N 47 110.772 115.025 -4.253 1
1 324 . 16 1 1 A 48 48 GLU H H 48 8.476 7.894 0.582 1
1 329 . 16 1 1 A 48 48 GLU N N 48 119.845 118.310 1.535 1
1 330 . 16 1 1 A 49 49 PHE H H 49 8.116 7.699 0.417 1
1 331 . 16 1 1 A 49 49 PHE HA H 49 5.436 5.324 0.112 1
1 339 . 16 1 1 A 49 49 PHE N N 49 122.914 119.041 3.873 1
1 340 . 16 1 1 A 50 50 GLU H H 50 9.055 8.915 0.140 1
1 345 . 16 1 1 A 50 50 GLU N N 50 119.977 124.795 -4.818 1
1 346 . 16 1 1 A 51 51 ALA H H 51 8.557 8.798 -0.241 1
1 347 . 16 1 1 A 51 51 ALA HA H 51 3.306 4.179 -0.873 1
1 351 . 16 1 1 A 51 51 ALA N N 51 127.085 124.564 2.521 1
1 5 . 17 1 1 A 2 2 LYS HA H 2 4.325 4.290 0.035 1
1 12 . 17 1 1 A 3 3 LYS H H 3 8.325 7.558 0.767 1
1 13 . 17 1 1 A 3 3 LYS HA H 3 4.881 4.415 0.466 1
1 22 . 17 1 1 A 3 3 LYS N N 3 121.705 121.202 0.503 1
1 23 . 17 1 1 A 4 4 TYR H H 4 8.556 8.863 -0.307 1
1 24 . 17 1 1 A 4 4 TYR HA H 4 4.931 5.616 -0.685 1
1 31 . 17 1 1 A 4 4 TYR N N 4 120.748 124.050 -3.302 1
1 32 . 17 1 1 A 5 5 VAL H H 5 9.498 8.915 0.583 1
1 33 . 17 1 1 A 5 5 VAL HA H 5 5.132 5.050 0.082 1
1 41 . 17 1 1 A 5 5 VAL N N 5 120.677 121.734 -1.057 1
1 42 . 17 1 1 A 6 6 CYS H H 6 9.438 8.734 0.704 1
1 43 . 17 1 1 A 6 6 CYS HA H 6 2.742 4.046 -1.304 1
1 46 . 17 1 1 A 6 6 CYS N N 6 131.360 124.692 6.668 1
1 47 . 17 1 1 A 7 7 THR H H 7 8.289 8.565 -0.276 1
1 48 . 17 1 1 A 7 7 THR HA H 7 4.365 4.528 -0.163 1
1 53 . 17 1 1 A 7 7 THR N N 7 122.494 118.798 3.696 1
1 54 . 17 1 1 A 8 8 VAL H H 8 9.102 7.677 1.425 1
1 55 . 17 1 1 A 8 8 VAL HA H 8 3.934 3.967 -0.033 1
1 63 . 17 1 1 A 8 8 VAL N N 8 126.451 120.705 5.746 1
1 64 . 17 1 1 A 9 9 CYS H H 9 9.195 8.071 1.124 1
1 65 . 17 1 1 A 9 9 CYS HA H 9 4.980 4.588 0.392 1
1 68 . 17 1 1 A 9 9 CYS N N 9 121.274 115.518 5.756 1
1 69 . 17 1 1 A 10 10 GLY H H 10 7.821 7.994 -0.173 1
1 70 . 17 1 1 A 10 10 GLY HA2 H 10 3.663 4.027 -0.364 1
1 71 . 17 1 1 A 10 10 GLY HA3 H 10 4.251 4.045 0.206 1
1 72 . 17 1 1 A 10 10 GLY N N 10 113.067 109.505 3.562 1
1 73 . 17 1 1 A 11 11 TYR H H 11 9.393 7.468 1.925 1
1 74 . 17 1 1 A 11 11 TYR HA H 11 4.213 5.023 -0.810 1
1 81 . 17 1 1 A 11 11 TYR N N 11 128.218 119.848 8.370 1
1 82 . 17 1 1 A 12 12 GLU H H 12 7.456 8.917 -1.461 1
1 83 . 17 1 1 A 12 12 GLU HA H 12 4.887 4.652 0.235 1
1 88 . 17 1 1 A 12 12 GLU N N 12 127.210 125.642 1.568 1
1 89 . 17 1 1 A 13 13 TYR H H 13 9.540 8.698 0.842 1
1 90 . 17 1 1 A 13 13 TYR HA H 13 4.445 5.155 -0.710 1
1 98 . 17 1 1 A 13 13 TYR N N 13 125.578 124.918 0.660 1
1 99 . 17 1 1 A 14 14 ASP H H 14 8.390 8.764 -0.374 1
1 100 . 17 1 1 A 14 14 ASP HA H 14 5.013 4.781 0.232 1
1 103 . 17 1 1 A 14 14 ASP N N 14 128.076 126.404 1.672 1
1 104 . 17 1 1 A 15 15 PRO HA H 15 4.008 4.478 -0.470 1
1 111 . 17 1 1 A 16 16 ALA H H 16 7.897 8.325 -0.428 1
1 112 . 17 1 1 A 16 16 ALA HA H 16 3.910 4.079 -0.169 1
1 116 . 17 1 1 A 16 16 ALA N N 16 116.302 120.831 -4.529 1
1 117 . 17 1 1 A 17 17 GLU H H 17 7.388 7.876 -0.488 1
1 118 . 17 1 1 A 17 17 GLU HA H 17 4.354 4.398 -0.044 1
1 123 . 17 1 1 A 17 17 GLU N N 17 114.338 113.536 0.802 1
1 124 . 17 1 1 A 18 18 GLY H H 18 8.069 7.738 0.331 1
1 125 . 17 1 1 A 18 18 GLY HA2 H 18 3.963 4.060 -0.097 1
1 126 . 17 1 1 A 18 18 GLY HA3 H 18 3.510 4.072 -0.562 1
1 127 . 17 1 1 A 18 18 GLY N N 18 105.574 108.807 -3.233 1
1 128 . 17 1 1 A 19 19 ASP H H 19 8.141 8.567 -0.426 1
1 129 . 17 1 1 A 19 19 ASP HA H 19 5.198 5.394 -0.196 1
1 132 . 17 1 1 A 19 19 ASP N N 19 117.708 120.631 -2.923 1
1 133 . 17 1 1 A 20 20 PRO HA H 20 4.005 4.450 -0.445 1
1 140 . 17 1 1 A 21 21 ASP H H 21 9.391 8.404 0.987 1
1 141 . 17 1 1 A 21 21 ASP HA H 21 4.473 4.404 0.069 1
1 144 . 17 1 1 A 21 21 ASP N N 21 120.881 118.011 2.870 1
1 145 . 17 1 1 A 22 22 ASN H H 22 7.663 7.827 -0.164 1
1 146 . 17 1 1 A 22 22 ASN HA H 22 5.078 4.594 0.484 1
1 151 . 17 1 1 A 22 22 ASN N N 22 114.971 116.254 -1.283 1
1 152 . 17 1 1 A 23 23 GLY H H 23 7.678 7.022 0.656 1
1 153 . 17 1 1 A 23 23 GLY HA2 H 23 4.165 4.131 0.034 1
1 154 . 17 1 1 A 23 23 GLY HA3 H 23 3.789 4.133 -0.344 1
1 155 . 17 1 1 A 23 23 GLY N N 23 105.605 103.260 2.345 1
1 156 . 17 1 1 A 24 24 VAL H H 24 7.556 8.845 -1.289 1
1 157 . 17 1 1 A 24 24 VAL HA H 24 4.167 4.756 -0.589 1
1 165 . 17 1 1 A 24 24 VAL N N 24 122.396 122.735 -0.339 1
1 166 . 17 1 1 A 25 25 LYS H H 25 8.552 8.552 0.000 1
1 167 . 17 1 1 A 25 25 LYS HA H 25 4.414 4.606 -0.192 1
1 174 . 17 1 1 A 25 25 LYS N N 25 128.930 126.943 1.987 1
1 175 . 17 1 1 A 26 26 PRO HA H 26 3.683 4.505 -0.822 1
1 180 . 17 1 1 A 27 27 GLY H H 27 8.708 8.358 0.350 1
1 181 . 17 1 1 A 27 27 GLY HA2 H 27 4.172 4.092 0.080 1
1 182 . 17 1 1 A 27 27 GLY HA3 H 27 3.419 4.094 -0.675 1
1 183 . 17 1 1 A 27 27 GLY N N 27 112.997 112.982 0.015 1
1 184 . 17 1 1 A 28 28 THR H H 28 7.133 7.896 -0.763 1
1 185 . 17 1 1 A 28 28 THR HA H 28 4.197 4.742 -0.545 1
1 191 . 17 1 1 A 28 28 THR N N 28 117.317 114.749 2.568 1
1 192 . 17 1 1 A 29 29 SER H H 29 9.543 8.890 0.653 1
1 193 . 17 1 1 A 29 29 SER HA H 29 3.951 4.493 -0.542 1
1 195 . 17 1 1 A 29 29 SER N N 29 127.007 123.059 3.948 1
1 196 . 17 1 1 A 30 30 PHE H H 30 9.546 9.014 0.532 1
1 197 . 17 1 1 A 30 30 PHE HA H 30 3.288 3.947 -0.659 1
1 205 . 17 1 1 A 30 30 PHE N N 30 124.800 124.163 0.637 1
1 206 . 17 1 1 A 31 31 ASP H H 31 7.915 8.256 -0.341 1
1 207 . 17 1 1 A 31 31 ASP HA H 31 4.005 4.535 -0.530 1
1 210 . 17 1 1 A 31 31 ASP N N 31 114.735 118.953 -4.218 1
1 211 . 17 1 1 A 32 32 ASP H H 32 7.330 7.800 -0.470 1
1 212 . 17 1 1 A 32 32 ASP HA H 32 4.524 4.617 -0.093 1
1 215 . 17 1 1 A 32 32 ASP N N 32 117.008 118.992 -1.984 1
1 216 . 17 1 1 A 33 33 LEU H H 33 6.802 7.460 -0.658 1
1 217 . 17 1 1 A 33 33 LEU HA H 33 3.773 4.090 -0.317 1
1 227 . 17 1 1 A 33 33 LEU N N 33 123.359 121.787 1.572 1
1 228 . 17 1 1 A 34 34 PRO HA H 34 4.277 4.522 -0.245 1
1 235 . 17 1 1 A 35 35 ALA H H 35 7.896 8.422 -0.526 1
1 236 . 17 1 1 A 35 35 ALA HA H 35 3.932 4.327 -0.395 1
1 240 . 17 1 1 A 35 35 ALA N N 35 129.585 122.774 6.811 1
1 241 . 17 1 1 A 36 36 ASP H H 36 8.216 8.058 0.158 1
1 242 . 17 1 1 A 36 36 ASP HA H 36 4.555 4.857 -0.302 1
1 245 . 17 1 1 A 36 36 ASP N N 36 112.620 116.956 -4.336 1
1 246 . 17 1 1 A 37 37 TRP H H 37 7.625 7.689 -0.064 1
1 247 . 17 1 1 A 37 37 TRP HA H 37 4.112 4.754 -0.642 1
1 256 . 17 1 1 A 37 37 TRP N N 37 123.123 122.927 0.196 1
1 257 . 17 1 1 A 38 38 VAL H H 38 6.310 8.635 -2.325 1
1 258 . 17 1 1 A 38 38 VAL HA H 38 4.395 4.684 -0.289 1
1 266 . 17 1 1 A 38 38 VAL N N 38 117.596 119.445 -1.849 1
1 267 . 17 1 1 A 39 39 CYS H H 39 8.991 8.607 0.384 1
1 268 . 17 1 1 A 39 39 CYS HA H 39 3.817 4.409 -0.592 1
1 271 . 17 1 1 A 39 39 CYS N N 39 121.584 121.546 0.038 1
1 272 . 17 1 1 A 40 40 PRO HA H 40 4.075 4.422 -0.347 1
1 279 . 17 1 1 A 41 41 VAL H H 41 8.754 7.742 1.012 1
1 280 . 17 1 1 A 41 41 VAL HA H 41 3.893 3.820 0.073 1
1 288 . 17 1 1 A 41 41 VAL N N 41 123.419 115.193 8.226 1
1 289 . 17 1 1 A 42 42 CYS H H 42 8.824 8.067 0.757 1
1 290 . 17 1 1 A 42 42 CYS HA H 42 4.893 4.577 0.316 1
1 293 . 17 1 1 A 42 42 CYS N N 42 121.044 115.084 5.960 1
1 294 . 17 1 1 A 43 43 GLY H H 43 7.892 7.737 0.155 1
1 295 . 17 1 1 A 43 43 GLY HA2 H 43 3.526 3.929 -0.403 1
1 296 . 17 1 1 A 43 43 GLY HA3 H 43 4.055 3.988 0.067 1
1 297 . 17 1 1 A 43 43 GLY N N 43 112.916 109.144 3.772 1
1 298 . 17 1 1 A 44 44 ALA H H 44 9.156 7.860 1.296 1
1 299 . 17 1 1 A 44 44 ALA HA H 44 4.395 4.792 -0.397 1
1 303 . 17 1 1 A 44 44 ALA N N 44 129.120 123.058 6.062 1
1 310 . 17 1 1 A 46 46 LYS H H 46 8.229 8.571 -0.342 1
1 311 . 17 1 1 A 46 46 LYS HA H 46 4.117 3.974 0.143 1
1 320 . 17 1 1 A 46 46 LYS N N 46 118.692 122.042 -3.350 1
1 321 . 17 1 1 A 47 47 SER H H 47 8.070 8.009 0.061 1
1 322 . 17 1 1 A 47 47 SER HA H 47 4.377 4.370 0.007 1
1 323 . 17 1 1 A 47 47 SER N N 47 110.772 114.911 -4.139 1
1 324 . 17 1 1 A 48 48 GLU H H 48 8.476 7.786 0.690 1
1 329 . 17 1 1 A 48 48 GLU N N 48 119.845 118.701 1.144 1
1 330 . 17 1 1 A 49 49 PHE H H 49 8.116 7.648 0.468 1
1 331 . 17 1 1 A 49 49 PHE HA H 49 5.436 4.928 0.508 1
1 339 . 17 1 1 A 49 49 PHE N N 49 122.914 119.736 3.178 1
1 340 . 17 1 1 A 50 50 GLU H H 50 9.055 8.827 0.228 1
1 345 . 17 1 1 A 50 50 GLU N N 50 119.977 123.147 -3.170 1
1 346 . 17 1 1 A 51 51 ALA H H 51 8.557 8.602 -0.045 1
1 347 . 17 1 1 A 51 51 ALA HA H 51 3.306 4.770 -1.464 1
1 351 . 17 1 1 A 51 51 ALA N N 51 127.085 124.474 2.611 1
1 5 . 18 1 1 A 2 2 LYS HA H 2 4.325 4.199 0.126 1
1 12 . 18 1 1 A 3 3 LYS H H 3 8.325 7.494 0.831 1
1 13 . 18 1 1 A 3 3 LYS HA H 3 4.881 4.782 0.099 1
1 22 . 18 1 1 A 3 3 LYS N N 3 121.705 121.473 0.232 1
1 23 . 18 1 1 A 4 4 TYR H H 4 8.556 8.950 -0.394 1
1 24 . 18 1 1 A 4 4 TYR HA H 4 4.931 5.297 -0.366 1
1 31 . 18 1 1 A 4 4 TYR N N 4 120.748 123.660 -2.912 1
1 32 . 18 1 1 A 5 5 VAL H H 5 9.498 8.859 0.639 1
1 33 . 18 1 1 A 5 5 VAL HA H 5 5.132 5.030 0.102 1
1 41 . 18 1 1 A 5 5 VAL N N 5 120.677 120.494 0.183 1
1 42 . 18 1 1 A 6 6 CYS H H 6 9.438 8.888 0.550 1
1 43 . 18 1 1 A 6 6 CYS HA H 6 2.742 3.913 -1.171 1
1 46 . 18 1 1 A 6 6 CYS N N 6 131.360 125.218 6.142 1
1 47 . 18 1 1 A 7 7 THR H H 7 8.289 8.578 -0.289 1
1 48 . 18 1 1 A 7 7 THR HA H 7 4.365 4.483 -0.118 1
1 53 . 18 1 1 A 7 7 THR N N 7 122.494 117.228 5.266 1
1 54 . 18 1 1 A 8 8 VAL H H 8 9.102 7.850 1.252 1
1 55 . 18 1 1 A 8 8 VAL HA H 8 3.934 3.706 0.228 1
1 63 . 18 1 1 A 8 8 VAL N N 8 126.451 121.528 4.923 1
1 64 . 18 1 1 A 9 9 CYS H H 9 9.195 7.755 1.440 1
1 65 . 18 1 1 A 9 9 CYS HA H 9 4.980 4.471 0.509 1
1 68 . 18 1 1 A 9 9 CYS N N 9 121.274 115.285 5.989 1
1 69 . 18 1 1 A 10 10 GLY H H 10 7.821 8.088 -0.267 1
1 70 . 18 1 1 A 10 10 GLY HA2 H 10 3.663 3.964 -0.301 1
1 71 . 18 1 1 A 10 10 GLY HA3 H 10 4.251 3.986 0.265 1
1 72 . 18 1 1 A 10 10 GLY N N 10 113.067 110.216 2.851 1
1 73 . 18 1 1 A 11 11 TYR H H 11 9.393 7.974 1.419 1
1 74 . 18 1 1 A 11 11 TYR HA H 11 4.213 4.581 -0.368 1
1 81 . 18 1 1 A 11 11 TYR N N 11 128.218 122.151 6.067 1
1 82 . 18 1 1 A 12 12 GLU H H 12 7.456 9.231 -1.775 1
1 83 . 18 1 1 A 12 12 GLU HA H 12 4.887 4.897 -0.010 1
1 88 . 18 1 1 A 12 12 GLU N N 12 127.210 120.750 6.460 1
1 89 . 18 1 1 A 13 13 TYR H H 13 9.540 8.819 0.721 1
1 90 . 18 1 1 A 13 13 TYR HA H 13 4.445 5.400 -0.955 1
1 98 . 18 1 1 A 13 13 TYR N N 13 125.578 124.225 1.353 1
1 99 . 18 1 1 A 14 14 ASP H H 14 8.390 8.797 -0.407 1
1 100 . 18 1 1 A 14 14 ASP HA H 14 5.013 5.130 -0.117 1
1 103 . 18 1 1 A 14 14 ASP N N 14 128.076 127.512 0.564 1
1 104 . 18 1 1 A 15 15 PRO HA H 15 4.008 4.458 -0.450 1
1 111 . 18 1 1 A 16 16 ALA H H 16 7.897 8.250 -0.353 1
1 112 . 18 1 1 A 16 16 ALA HA H 16 3.910 3.994 -0.084 1
1 116 . 18 1 1 A 16 16 ALA N N 16 116.302 118.711 -2.409 1
1 117 . 18 1 1 A 17 17 GLU H H 17 7.388 8.084 -0.696 1
1 118 . 18 1 1 A 17 17 GLU HA H 17 4.354 4.175 0.179 1
1 123 . 18 1 1 A 17 17 GLU N N 17 114.338 115.384 -1.046 1
1 124 . 18 1 1 A 18 18 GLY H H 18 8.069 7.977 0.092 1
1 125 . 18 1 1 A 18 18 GLY HA2 H 18 3.963 4.011 -0.048 1
1 126 . 18 1 1 A 18 18 GLY HA3 H 18 3.510 4.046 -0.536 1
1 127 . 18 1 1 A 18 18 GLY N N 18 105.574 106.928 -1.354 1
1 128 . 18 1 1 A 19 19 ASP H H 19 8.141 8.525 -0.384 1
1 129 . 18 1 1 A 19 19 ASP HA H 19 5.198 5.398 -0.200 1
1 132 . 18 1 1 A 19 19 ASP N N 19 117.708 120.233 -2.525 1
1 133 . 18 1 1 A 20 20 PRO HA H 20 4.005 4.526 -0.521 1
1 140 . 18 1 1 A 21 21 ASP H H 21 9.391 8.280 1.111 1
1 141 . 18 1 1 A 21 21 ASP HA H 21 4.473 4.338 0.135 1
1 144 . 18 1 1 A 21 21 ASP N N 21 120.881 117.602 3.279 1
1 145 . 18 1 1 A 22 22 ASN H H 22 7.663 8.011 -0.348 1
1 146 . 18 1 1 A 22 22 ASN HA H 22 5.078 4.528 0.550 1
1 151 . 18 1 1 A 22 22 ASN N N 22 114.971 115.776 -0.805 1
1 152 . 18 1 1 A 23 23 GLY H H 23 7.678 7.951 -0.273 1
1 153 . 18 1 1 A 23 23 GLY HA2 H 23 4.165 4.078 0.087 1
1 154 . 18 1 1 A 23 23 GLY HA3 H 23 3.789 4.080 -0.291 1
1 155 . 18 1 1 A 23 23 GLY N N 23 105.605 107.150 -1.545 1
1 156 . 18 1 1 A 24 24 VAL H H 24 7.556 7.831 -0.275 1
1 157 . 18 1 1 A 24 24 VAL HA H 24 4.167 4.217 -0.050 1
1 165 . 18 1 1 A 24 24 VAL N N 24 122.396 122.207 0.189 1
1 166 . 18 1 1 A 25 25 LYS H H 25 8.552 8.552 0.000 1
1 167 . 18 1 1 A 25 25 LYS HA H 25 4.414 4.324 0.090 1
1 174 . 18 1 1 A 25 25 LYS N N 25 128.930 126.366 2.564 1
1 175 . 18 1 1 A 26 26 PRO HA H 26 3.683 4.525 -0.842 1
1 180 . 18 1 1 A 27 27 GLY H H 27 8.708 8.270 0.438 1
1 181 . 18 1 1 A 27 27 GLY HA2 H 27 4.172 4.024 0.148 1
1 182 . 18 1 1 A 27 27 GLY HA3 H 27 3.419 4.027 -0.608 1
1 183 . 18 1 1 A 27 27 GLY N N 27 112.997 106.720 6.277 1
1 184 . 18 1 1 A 28 28 THR H H 28 7.133 7.349 -0.216 1
1 185 . 18 1 1 A 28 28 THR HA H 28 4.197 4.935 -0.738 1
1 191 . 18 1 1 A 28 28 THR N N 28 117.317 114.276 3.041 1
1 192 . 18 1 1 A 29 29 SER H H 29 9.543 8.486 1.057 1
1 193 . 18 1 1 A 29 29 SER HA H 29 3.951 5.016 -1.065 1
1 195 . 18 1 1 A 29 29 SER N N 29 127.007 118.291 8.716 1
1 196 . 18 1 1 A 30 30 PHE H H 30 9.546 8.886 0.660 1
1 197 . 18 1 1 A 30 30 PHE HA H 30 3.288 3.844 -0.556 1
1 205 . 18 1 1 A 30 30 PHE N N 30 124.800 121.596 3.204 1
1 206 . 18 1 1 A 31 31 ASP H H 31 7.915 8.244 -0.329 1
1 207 . 18 1 1 A 31 31 ASP HA H 31 4.005 4.506 -0.501 1
1 210 . 18 1 1 A 31 31 ASP N N 31 114.735 119.070 -4.335 1
1 211 . 18 1 1 A 32 32 ASP H H 32 7.330 7.786 -0.456 1
1 212 . 18 1 1 A 32 32 ASP HA H 32 4.524 4.628 -0.104 1
1 215 . 18 1 1 A 32 32 ASP N N 32 117.008 117.631 -0.623 1
1 216 . 18 1 1 A 33 33 LEU H H 33 6.802 7.342 -0.540 1
1 217 . 18 1 1 A 33 33 LEU HA H 33 3.773 4.146 -0.373 1
1 227 . 18 1 1 A 33 33 LEU N N 33 123.359 122.265 1.094 1
1 228 . 18 1 1 A 34 34 PRO HA H 34 4.277 4.491 -0.214 1
1 235 . 18 1 1 A 35 35 ALA H H 35 7.896 8.598 -0.702 1
1 236 . 18 1 1 A 35 35 ALA HA H 35 3.932 3.967 -0.035 1
1 240 . 18 1 1 A 35 35 ALA N N 35 129.585 125.520 4.065 1
1 241 . 18 1 1 A 36 36 ASP H H 36 8.216 7.940 0.276 1
1 242 . 18 1 1 A 36 36 ASP HA H 36 4.555 4.793 -0.238 1
1 245 . 18 1 1 A 36 36 ASP N N 36 112.620 116.230 -3.610 1
1 246 . 18 1 1 A 37 37 TRP H H 37 7.625 7.682 -0.057 1
1 247 . 18 1 1 A 37 37 TRP HA H 37 4.112 4.693 -0.581 1
1 256 . 18 1 1 A 37 37 TRP N N 37 123.123 122.636 0.487 1
1 257 . 18 1 1 A 38 38 VAL H H 38 6.310 8.661 -2.351 1
1 258 . 18 1 1 A 38 38 VAL HA H 38 4.395 4.798 -0.403 1
1 266 . 18 1 1 A 38 38 VAL N N 38 117.596 119.935 -2.339 1
1 267 . 18 1 1 A 39 39 CYS H H 39 8.991 8.595 0.396 1
1 268 . 18 1 1 A 39 39 CYS HA H 39 3.817 4.338 -0.521 1
1 271 . 18 1 1 A 39 39 CYS N N 39 121.584 122.367 -0.783 1
1 272 . 18 1 1 A 40 40 PRO HA H 40 4.075 4.410 -0.335 1
1 279 . 18 1 1 A 41 41 VAL H H 41 8.754 7.744 1.010 1
1 280 . 18 1 1 A 41 41 VAL HA H 41 3.893 3.816 0.077 1
1 288 . 18 1 1 A 41 41 VAL N N 41 123.419 115.184 8.235 1
1 289 . 18 1 1 A 42 42 CYS H H 42 8.824 8.042 0.782 1
1 290 . 18 1 1 A 42 42 CYS HA H 42 4.893 4.585 0.308 1
1 293 . 18 1 1 A 42 42 CYS N N 42 121.044 115.109 5.935 1
1 294 . 18 1 1 A 43 43 GLY H H 43 7.892 7.759 0.133 1
1 295 . 18 1 1 A 43 43 GLY HA2 H 43 3.526 3.936 -0.410 1
1 296 . 18 1 1 A 43 43 GLY HA3 H 43 4.055 3.992 0.063 1
1 297 . 18 1 1 A 43 43 GLY N N 43 112.916 109.081 3.835 1
1 298 . 18 1 1 A 44 44 ALA H H 44 9.156 7.806 1.350 1
1 299 . 18 1 1 A 44 44 ALA HA H 44 4.395 4.806 -0.411 1
1 303 . 18 1 1 A 44 44 ALA N N 44 129.120 123.194 5.926 1
1 310 . 18 1 1 A 46 46 LYS H H 46 8.229 8.573 -0.344 1
1 311 . 18 1 1 A 46 46 LYS HA H 46 4.117 3.955 0.162 1
1 320 . 18 1 1 A 46 46 LYS N N 46 118.692 122.067 -3.375 1
1 321 . 18 1 1 A 47 47 SER H H 47 8.070 8.024 0.046 1
1 322 . 18 1 1 A 47 47 SER HA H 47 4.377 4.396 -0.019 1
1 323 . 18 1 1 A 47 47 SER N N 47 110.772 114.764 -3.992 1
1 324 . 18 1 1 A 48 48 GLU H H 48 8.476 7.807 0.669 1
1 329 . 18 1 1 A 48 48 GLU N N 48 119.845 118.021 1.824 1
1 330 . 18 1 1 A 49 49 PHE H H 49 8.116 7.447 0.669 1
1 331 . 18 1 1 A 49 49 PHE HA H 49 5.436 5.373 0.063 1
1 339 . 18 1 1 A 49 49 PHE N N 49 122.914 119.802 3.112 1
1 340 . 18 1 1 A 50 50 GLU H H 50 9.055 8.761 0.294 1
1 345 . 18 1 1 A 50 50 GLU N N 50 119.977 123.940 -3.963 1
1 346 . 18 1 1 A 51 51 ALA H H 51 8.557 8.668 -0.111 1
1 347 . 18 1 1 A 51 51 ALA HA H 51 3.306 4.140 -0.834 1
1 351 . 18 1 1 A 51 51 ALA N N 51 127.085 123.985 3.100 1
1 5 . 19 1 1 A 2 2 LYS HA H 2 4.325 4.277 0.048 1
1 12 . 19 1 1 A 3 3 LYS H H 3 8.325 7.782 0.543 1
1 13 . 19 1 1 A 3 3 LYS HA H 3 4.881 4.853 0.028 1
1 22 . 19 1 1 A 3 3 LYS N N 3 121.705 118.974 2.731 1
1 23 . 19 1 1 A 4 4 TYR H H 4 8.556 8.931 -0.375 1
1 24 . 19 1 1 A 4 4 TYR HA H 4 4.931 5.609 -0.678 1
1 31 . 19 1 1 A 4 4 TYR N N 4 120.748 118.787 1.961 1
1 32 . 19 1 1 A 5 5 VAL H H 5 9.498 8.988 0.510 1
1 33 . 19 1 1 A 5 5 VAL HA H 5 5.132 5.025 0.107 1
1 41 . 19 1 1 A 5 5 VAL N N 5 120.677 116.652 4.025 1
1 42 . 19 1 1 A 6 6 CYS H H 6 9.438 8.884 0.554 1
1 43 . 19 1 1 A 6 6 CYS HA H 6 2.742 3.798 -1.056 1
1 46 . 19 1 1 A 6 6 CYS N N 6 131.360 124.932 6.428 1
1 47 . 19 1 1 A 7 7 THR H H 7 8.289 8.829 -0.540 1
1 48 . 19 1 1 A 7 7 THR HA H 7 4.365 4.368 -0.003 1
1 53 . 19 1 1 A 7 7 THR N N 7 122.494 119.764 2.730 1
1 54 . 19 1 1 A 8 8 VAL H H 8 9.102 7.794 1.308 1
1 55 . 19 1 1 A 8 8 VAL HA H 8 3.934 4.183 -0.249 1
1 63 . 19 1 1 A 8 8 VAL N N 8 126.451 120.003 6.448 1
1 64 . 19 1 1 A 9 9 CYS H H 9 9.195 7.844 1.351 1
1 65 . 19 1 1 A 9 9 CYS HA H 9 4.980 4.473 0.507 1
1 68 . 19 1 1 A 9 9 CYS N N 9 121.274 116.871 4.403 1
1 69 . 19 1 1 A 10 10 GLY H H 10 7.821 8.057 -0.236 1
1 70 . 19 1 1 A 10 10 GLY HA2 H 10 3.663 3.997 -0.334 1
1 71 . 19 1 1 A 10 10 GLY HA3 H 10 4.251 4.027 0.224 1
1 72 . 19 1 1 A 10 10 GLY N N 10 113.067 108.217 4.850 1
1 73 . 19 1 1 A 11 11 TYR H H 11 9.393 8.057 1.336 1
1 74 . 19 1 1 A 11 11 TYR HA H 11 4.213 4.514 -0.301 1
1 81 . 19 1 1 A 11 11 TYR N N 11 128.218 122.067 6.151 1
1 82 . 19 1 1 A 12 12 GLU H H 12 7.456 8.716 -1.260 1
1 83 . 19 1 1 A 12 12 GLU HA H 12 4.887 4.816 0.071 1
1 88 . 19 1 1 A 12 12 GLU N N 12 127.210 125.942 1.268 1
1 89 . 19 1 1 A 13 13 TYR H H 13 9.540 8.971 0.569 1
1 90 . 19 1 1 A 13 13 TYR HA H 13 4.445 4.889 -0.444 1
1 98 . 19 1 1 A 13 13 TYR N N 13 125.578 126.233 -0.655 1
1 99 . 19 1 1 A 14 14 ASP H H 14 8.390 8.792 -0.402 1
1 100 . 19 1 1 A 14 14 ASP HA H 14 5.013 5.107 -0.094 1
1 103 . 19 1 1 A 14 14 ASP N N 14 128.076 127.240 0.836 1
1 104 . 19 1 1 A 15 15 PRO HA H 15 4.008 4.459 -0.451 1
1 111 . 19 1 1 A 16 16 ALA H H 16 7.897 8.284 -0.387 1
1 112 . 19 1 1 A 16 16 ALA HA H 16 3.910 4.022 -0.112 1
1 116 . 19 1 1 A 16 16 ALA N N 16 116.302 118.685 -2.383 1
1 117 . 19 1 1 A 17 17 GLU H H 17 7.388 8.216 -0.828 1
1 118 . 19 1 1 A 17 17 GLU HA H 17 4.354 4.160 0.194 1
1 123 . 19 1 1 A 17 17 GLU N N 17 114.338 116.187 -1.849 1
1 124 . 19 1 1 A 18 18 GLY H H 18 8.069 8.028 0.041 1
1 125 . 19 1 1 A 18 18 GLY HA2 H 18 3.963 3.858 0.105 1
1 126 . 19 1 1 A 18 18 GLY HA3 H 18 3.510 3.994 -0.484 1
1 127 . 19 1 1 A 18 18 GLY N N 18 105.574 106.829 -1.255 1
1 128 . 19 1 1 A 19 19 ASP H H 19 8.141 8.558 -0.417 1
1 129 . 19 1 1 A 19 19 ASP HA H 19 5.198 5.113 0.085 1
1 132 . 19 1 1 A 19 19 ASP N N 19 117.708 122.858 -5.150 1
1 133 . 19 1 1 A 20 20 PRO HA H 20 4.005 4.483 -0.478 1
1 140 . 19 1 1 A 21 21 ASP H H 21 9.391 8.421 0.970 1
1 141 . 19 1 1 A 21 21 ASP HA H 21 4.473 4.439 0.034 1
1 144 . 19 1 1 A 21 21 ASP N N 21 120.881 118.557 2.324 1
1 145 . 19 1 1 A 22 22 ASN H H 22 7.663 8.216 -0.553 1
1 146 . 19 1 1 A 22 22 ASN HA H 22 5.078 4.797 0.281 1
1 151 . 19 1 1 A 22 22 ASN N N 22 114.971 114.875 0.096 1
1 152 . 19 1 1 A 23 23 GLY H H 23 7.678 7.943 -0.265 1
1 153 . 19 1 1 A 23 23 GLY HA2 H 23 4.165 4.008 0.157 1
1 154 . 19 1 1 A 23 23 GLY HA3 H 23 3.789 4.009 -0.220 1
1 155 . 19 1 1 A 23 23 GLY N N 23 105.605 106.020 -0.415 1
1 156 . 19 1 1 A 24 24 VAL H H 24 7.556 7.641 -0.085 1
1 157 . 19 1 1 A 24 24 VAL HA H 24 4.167 3.871 0.296 1
1 165 . 19 1 1 A 24 24 VAL N N 24 122.396 122.362 0.034 1
1 166 . 19 1 1 A 25 25 LYS H H 25 8.552 8.720 -0.168 1
1 167 . 19 1 1 A 25 25 LYS HA H 25 4.414 4.394 0.020 1
1 174 . 19 1 1 A 25 25 LYS N N 25 128.930 126.633 2.297 1
1 175 . 19 1 1 A 26 26 PRO HA H 26 3.683 4.709 -1.026 1
1 180 . 19 1 1 A 27 27 GLY H H 27 8.708 8.241 0.467 1
1 181 . 19 1 1 A 27 27 GLY HA2 H 27 4.172 4.054 0.118 1
1 182 . 19 1 1 A 27 27 GLY HA3 H 27 3.419 4.057 -0.638 1
1 183 . 19 1 1 A 27 27 GLY N N 27 112.997 106.938 6.059 1
1 184 . 19 1 1 A 28 28 THR H H 28 7.133 7.536 -0.403 1
1 185 . 19 1 1 A 28 28 THR HA H 28 4.197 4.980 -0.783 1
1 191 . 19 1 1 A 28 28 THR N N 28 117.317 114.701 2.616 1
1 192 . 19 1 1 A 29 29 SER H H 29 9.543 9.033 0.510 1
1 193 . 19 1 1 A 29 29 SER HA H 29 3.951 4.603 -0.652 1
1 195 . 19 1 1 A 29 29 SER N N 29 127.007 122.129 4.878 1
1 196 . 19 1 1 A 30 30 PHE H H 30 9.546 9.168 0.378 1
1 197 . 19 1 1 A 30 30 PHE HA H 30 3.288 3.856 -0.568 1
1 205 . 19 1 1 A 30 30 PHE N N 30 124.800 123.961 0.839 1
1 206 . 19 1 1 A 31 31 ASP H H 31 7.915 8.474 -0.559 1
1 207 . 19 1 1 A 31 31 ASP HA H 31 4.005 4.433 -0.428 1
1 210 . 19 1 1 A 31 31 ASP N N 31 114.735 118.726 -3.991 1
1 211 . 19 1 1 A 32 32 ASP H H 32 7.330 8.050 -0.720 1
1 212 . 19 1 1 A 32 32 ASP HA H 32 4.524 4.691 -0.167 1
1 215 . 19 1 1 A 32 32 ASP N N 32 117.008 117.771 -0.763 1
1 216 . 19 1 1 A 33 33 LEU H H 33 6.802 7.402 -0.600 1
1 217 . 19 1 1 A 33 33 LEU HA H 33 3.773 4.221 -0.448 1
1 227 . 19 1 1 A 33 33 LEU N N 33 123.359 121.715 1.644 1
1 228 . 19 1 1 A 34 34 PRO HA H 34 4.277 4.578 -0.301 1
1 235 . 19 1 1 A 35 35 ALA H H 35 7.896 8.353 -0.457 1
1 236 . 19 1 1 A 35 35 ALA HA H 35 3.932 4.274 -0.342 1
1 240 . 19 1 1 A 35 35 ALA N N 35 129.585 121.263 8.322 1
1 241 . 19 1 1 A 36 36 ASP H H 36 8.216 8.168 0.048 1
1 242 . 19 1 1 A 36 36 ASP HA H 36 4.555 4.713 -0.158 1
1 245 . 19 1 1 A 36 36 ASP N N 36 112.620 115.956 -3.336 1
1 246 . 19 1 1 A 37 37 TRP H H 37 7.625 7.759 -0.134 1
1 247 . 19 1 1 A 37 37 TRP HA H 37 4.112 4.996 -0.884 1
1 256 . 19 1 1 A 37 37 TRP N N 37 123.123 123.034 0.089 1
1 257 . 19 1 1 A 38 38 VAL H H 38 6.310 8.857 -2.547 1
1 258 . 19 1 1 A 38 38 VAL HA H 38 4.395 4.421 -0.026 1
1 266 . 19 1 1 A 38 38 VAL N N 38 117.596 119.529 -1.933 1
1 267 . 19 1 1 A 39 39 CYS H H 39 8.991 8.624 0.367 1
1 268 . 19 1 1 A 39 39 CYS HA H 39 3.817 4.564 -0.747 1
1 271 . 19 1 1 A 39 39 CYS N N 39 121.584 121.543 0.041 1
1 272 . 19 1 1 A 40 40 PRO HA H 40 4.075 4.448 -0.373 1
1 279 . 19 1 1 A 41 41 VAL H H 41 8.754 7.805 0.949 1
1 280 . 19 1 1 A 41 41 VAL HA H 41 3.893 3.897 -0.004 1
1 288 . 19 1 1 A 41 41 VAL N N 41 123.419 115.547 7.872 1
1 289 . 19 1 1 A 42 42 CYS H H 42 8.824 8.133 0.691 1
1 290 . 19 1 1 A 42 42 CYS HA H 42 4.893 4.591 0.302 1
1 293 . 19 1 1 A 42 42 CYS N N 42 121.044 115.144 5.900 1
1 294 . 19 1 1 A 43 43 GLY H H 43 7.892 7.769 0.123 1
1 295 . 19 1 1 A 43 43 GLY HA2 H 43 3.526 3.926 -0.400 1
1 296 . 19 1 1 A 43 43 GLY HA3 H 43 4.055 3.990 0.065 1
1 297 . 19 1 1 A 43 43 GLY N N 43 112.916 109.158 3.758 1
1 298 . 19 1 1 A 44 44 ALA H H 44 9.156 7.906 1.250 1
1 299 . 19 1 1 A 44 44 ALA HA H 44 4.395 4.698 -0.303 1
1 303 . 19 1 1 A 44 44 ALA N N 44 129.120 123.266 5.854 1
1 310 . 19 1 1 A 46 46 LYS H H 46 8.229 8.622 -0.393 1
1 311 . 19 1 1 A 46 46 LYS HA H 46 4.117 3.754 0.363 1
1 320 . 19 1 1 A 46 46 LYS N N 46 118.692 122.688 -3.996 1
1 321 . 19 1 1 A 47 47 SER H H 47 8.070 8.153 -0.083 1
1 322 . 19 1 1 A 47 47 SER HA H 47 4.377 4.419 -0.042 1
1 323 . 19 1 1 A 47 47 SER N N 47 110.772 114.712 -3.940 1
1 324 . 19 1 1 A 48 48 GLU H H 48 8.476 7.845 0.631 1
1 329 . 19 1 1 A 48 48 GLU N N 48 119.845 118.001 1.844 1
1 330 . 19 1 1 A 49 49 PHE H H 49 8.116 7.602 0.514 1
1 331 . 19 1 1 A 49 49 PHE HA H 49 5.436 5.625 -0.189 1
1 339 . 19 1 1 A 49 49 PHE N N 49 122.914 119.877 3.037 1
1 340 . 19 1 1 A 50 50 GLU H H 50 9.055 8.916 0.139 1
1 345 . 19 1 1 A 50 50 GLU N N 50 119.977 123.409 -3.432 1
1 346 . 19 1 1 A 51 51 ALA H H 51 8.557 8.913 -0.356 1
1 347 . 19 1 1 A 51 51 ALA HA H 51 3.306 4.263 -0.957 1
1 351 . 19 1 1 A 51 51 ALA N N 51 127.085 123.840 3.245 1
1 5 . 20 1 1 A 2 2 LYS HA H 2 4.325 4.959 -0.634 1
1 12 . 20 1 1 A 3 3 LYS H H 3 8.325 8.630 -0.305 1
1 13 . 20 1 1 A 3 3 LYS HA H 3 4.881 4.353 0.528 1
1 22 . 20 1 1 A 3 3 LYS N N 3 121.705 123.508 -1.803 1
1 23 . 20 1 1 A 4 4 TYR H H 4 8.556 8.957 -0.401 1
1 24 . 20 1 1 A 4 4 TYR HA H 4 4.931 5.467 -0.536 1
1 31 . 20 1 1 A 4 4 TYR N N 4 120.748 121.581 -0.833 1
1 32 . 20 1 1 A 5 5 VAL H H 5 9.498 8.851 0.647 1
1 33 . 20 1 1 A 5 5 VAL HA H 5 5.132 4.982 0.150 1
1 41 . 20 1 1 A 5 5 VAL N N 5 120.677 118.042 2.635 1
1 42 . 20 1 1 A 6 6 CYS H H 6 9.438 8.781 0.657 1
1 43 . 20 1 1 A 6 6 CYS HA H 6 2.742 3.774 -1.032 1
1 46 . 20 1 1 A 6 6 CYS N N 6 131.360 124.617 6.743 1
1 47 . 20 1 1 A 7 7 THR H H 7 8.289 8.818 -0.529 1
1 48 . 20 1 1 A 7 7 THR HA H 7 4.365 4.359 0.006 1
1 53 . 20 1 1 A 7 7 THR N N 7 122.494 120.064 2.430 1
1 54 . 20 1 1 A 8 8 VAL H H 8 9.102 7.690 1.412 1
1 55 . 20 1 1 A 8 8 VAL HA H 8 3.934 4.079 -0.145 1
1 63 . 20 1 1 A 8 8 VAL N N 8 126.451 120.383 6.068 1
1 64 . 20 1 1 A 9 9 CYS H H 9 9.195 7.842 1.353 1
1 65 . 20 1 1 A 9 9 CYS HA H 9 4.980 4.460 0.520 1
1 68 . 20 1 1 A 9 9 CYS N N 9 121.274 116.857 4.417 1
1 69 . 20 1 1 A 10 10 GLY H H 10 7.821 8.007 -0.186 1
1 70 . 20 1 1 A 10 10 GLY HA2 H 10 3.663 4.018 -0.355 1
1 71 . 20 1 1 A 10 10 GLY HA3 H 10 4.251 4.047 0.204 1
1 72 . 20 1 1 A 10 10 GLY N N 10 113.067 107.841 5.226 1
1 73 . 20 1 1 A 11 11 TYR H H 11 9.393 8.029 1.364 1
1 74 . 20 1 1 A 11 11 TYR HA H 11 4.213 4.564 -0.351 1
1 81 . 20 1 1 A 11 11 TYR N N 11 128.218 122.018 6.200 1
1 82 . 20 1 1 A 12 12 GLU H H 12 7.456 9.143 -1.687 1
1 83 . 20 1 1 A 12 12 GLU HA H 12 4.887 5.326 -0.439 1
1 88 . 20 1 1 A 12 12 GLU N N 12 127.210 123.984 3.226 1
1 89 . 20 1 1 A 13 13 TYR H H 13 9.540 8.907 0.633 1
1 90 . 20 1 1 A 13 13 TYR HA H 13 4.445 5.241 -0.796 1
1 98 . 20 1 1 A 13 13 TYR N N 13 125.578 125.165 0.413 1
1 99 . 20 1 1 A 14 14 ASP H H 14 8.390 8.864 -0.474 1
1 100 . 20 1 1 A 14 14 ASP HA H 14 5.013 5.135 -0.122 1
1 103 . 20 1 1 A 14 14 ASP N N 14 128.076 127.843 0.233 1
1 104 . 20 1 1 A 15 15 PRO HA H 15 4.008 4.589 -0.581 1
1 111 . 20 1 1 A 16 16 ALA H H 16 7.897 8.376 -0.479 1
1 112 . 20 1 1 A 16 16 ALA HA H 16 3.910 4.146 -0.236 1
1 116 . 20 1 1 A 16 16 ALA N N 16 116.302 120.569 -4.267 1
1 117 . 20 1 1 A 17 17 GLU H H 17 7.388 7.945 -0.557 1
1 118 . 20 1 1 A 17 17 GLU HA H 17 4.354 4.359 -0.005 1
1 123 . 20 1 1 A 17 17 GLU N N 17 114.338 113.887 0.451 1
1 124 . 20 1 1 A 18 18 GLY H H 18 8.069 7.724 0.345 1
1 125 . 20 1 1 A 18 18 GLY HA2 H 18 3.963 3.874 0.089 1
1 126 . 20 1 1 A 18 18 GLY HA3 H 18 3.510 3.906 -0.396 1
1 127 . 20 1 1 A 18 18 GLY N N 18 105.574 109.883 -4.309 1
1 128 . 20 1 1 A 19 19 ASP H H 19 8.141 8.686 -0.545 1
1 129 . 20 1 1 A 19 19 ASP HA H 19 5.198 5.292 -0.094 1
1 132 . 20 1 1 A 19 19 ASP N N 19 117.708 121.445 -3.737 1
1 133 . 20 1 1 A 20 20 PRO HA H 20 4.005 4.503 -0.498 1
1 140 . 20 1 1 A 21 21 ASP H H 21 9.391 8.535 0.856 1
1 141 . 20 1 1 A 21 21 ASP HA H 21 4.473 4.484 -0.011 1
1 144 . 20 1 1 A 21 21 ASP N N 21 120.881 117.067 3.814 1
1 145 . 20 1 1 A 22 22 ASN H H 22 7.663 7.944 -0.281 1
1 146 . 20 1 1 A 22 22 ASN HA H 22 5.078 4.765 0.313 1
1 151 . 20 1 1 A 22 22 ASN N N 22 114.971 114.696 0.275 1
1 152 . 20 1 1 A 23 23 GLY H H 23 7.678 7.939 -0.261 1
1 153 . 20 1 1 A 23 23 GLY HA2 H 23 4.165 4.060 0.105 1
1 154 . 20 1 1 A 23 23 GLY HA3 H 23 3.789 4.062 -0.273 1
1 155 . 20 1 1 A 23 23 GLY N N 23 105.605 106.129 -0.524 1
1 156 . 20 1 1 A 24 24 VAL H H 24 7.556 7.871 -0.315 1
1 157 . 20 1 1 A 24 24 VAL HA H 24 4.167 3.965 0.202 1
1 165 . 20 1 1 A 24 24 VAL N N 24 122.396 121.410 0.986 1
1 166 . 20 1 1 A 25 25 LYS H H 25 8.552 8.524 0.028 1
1 167 . 20 1 1 A 25 25 LYS HA H 25 4.414 4.307 0.107 1
1 174 . 20 1 1 A 25 25 LYS N N 25 128.930 126.921 2.009 1
1 175 . 20 1 1 A 26 26 PRO HA H 26 3.683 4.507 -0.824 1
1 180 . 20 1 1 A 27 27 GLY H H 27 8.708 8.226 0.482 1
1 181 . 20 1 1 A 27 27 GLY HA2 H 27 4.172 4.043 0.129 1
1 182 . 20 1 1 A 27 27 GLY HA3 H 27 3.419 4.046 -0.627 1
1 183 . 20 1 1 A 27 27 GLY N N 27 112.997 106.763 6.234 1
1 184 . 20 1 1 A 28 28 THR H H 28 7.133 7.519 -0.386 1
1 185 . 20 1 1 A 28 28 THR HA H 28 4.197 4.854 -0.657 1
1 191 . 20 1 1 A 28 28 THR N N 28 117.317 114.570 2.747 1
1 192 . 20 1 1 A 29 29 SER H H 29 9.543 8.983 0.560 1
1 193 . 20 1 1 A 29 29 SER HA H 29 3.951 4.608 -0.657 1
1 195 . 20 1 1 A 29 29 SER N N 29 127.007 122.398 4.609 1
1 196 . 20 1 1 A 30 30 PHE H H 30 9.546 9.086 0.460 1
1 197 . 20 1 1 A 30 30 PHE HA H 30 3.288 3.869 -0.581 1
1 205 . 20 1 1 A 30 30 PHE N N 30 124.800 122.240 2.560 1
1 206 . 20 1 1 A 31 31 ASP H H 31 7.915 8.762 -0.847 1
1 207 . 20 1 1 A 31 31 ASP HA H 31 4.005 4.484 -0.479 1
1 210 . 20 1 1 A 31 31 ASP N N 31 114.735 117.406 -2.671 1
1 211 . 20 1 1 A 32 32 ASP H H 32 7.330 8.009 -0.679 1
1 212 . 20 1 1 A 32 32 ASP HA H 32 4.524 4.701 -0.177 1
1 215 . 20 1 1 A 32 32 ASP N N 32 117.008 118.432 -1.424 1
1 216 . 20 1 1 A 33 33 LEU H H 33 6.802 7.392 -0.590 1
1 217 . 20 1 1 A 33 33 LEU HA H 33 3.773 4.194 -0.421 1
1 227 . 20 1 1 A 33 33 LEU N N 33 123.359 121.322 2.037 1
1 228 . 20 1 1 A 34 34 PRO HA H 34 4.277 4.535 -0.258 1
1 235 . 20 1 1 A 35 35 ALA H H 35 7.896 8.726 -0.830 1
1 236 . 20 1 1 A 35 35 ALA HA H 35 3.932 3.990 -0.058 1
1 240 . 20 1 1 A 35 35 ALA N N 35 129.585 125.302 4.283 1
1 241 . 20 1 1 A 36 36 ASP H H 36 8.216 8.238 -0.022 1
1 242 . 20 1 1 A 36 36 ASP HA H 36 4.555 4.731 -0.176 1
1 245 . 20 1 1 A 36 36 ASP N N 36 112.620 115.378 -2.758 1
1 246 . 20 1 1 A 37 37 TRP H H 37 7.625 7.787 -0.162 1
1 247 . 20 1 1 A 37 37 TRP HA H 37 4.112 4.917 -0.805 1
1 256 . 20 1 1 A 37 37 TRP N N 37 123.123 122.786 0.337 1
1 257 . 20 1 1 A 38 38 VAL H H 38 6.310 8.737 -2.427 1
1 258 . 20 1 1 A 38 38 VAL HA H 38 4.395 4.545 -0.150 1
1 266 . 20 1 1 A 38 38 VAL N N 38 117.596 119.701 -2.105 1
1 267 . 20 1 1 A 39 39 CYS H H 39 8.991 8.564 0.427 1
1 268 . 20 1 1 A 39 39 CYS HA H 39 3.817 4.323 -0.506 1
1 271 . 20 1 1 A 39 39 CYS N N 39 121.584 122.254 -0.670 1
1 272 . 20 1 1 A 40 40 PRO HA H 40 4.075 4.413 -0.338 1
1 279 . 20 1 1 A 41 41 VAL H H 41 8.754 7.804 0.950 1
1 280 . 20 1 1 A 41 41 VAL HA H 41 3.893 3.876 0.017 1
1 288 . 20 1 1 A 41 41 VAL N N 41 123.419 115.528 7.891 1
1 289 . 20 1 1 A 42 42 CYS H H 42 8.824 8.136 0.688 1
1 290 . 20 1 1 A 42 42 CYS HA H 42 4.893 4.586 0.307 1
1 293 . 20 1 1 A 42 42 CYS N N 42 121.044 115.133 5.911 1
1 294 . 20 1 1 A 43 43 GLY H H 43 7.892 7.776 0.116 1
1 295 . 20 1 1 A 43 43 GLY HA2 H 43 3.526 3.938 -0.412 1
1 296 . 20 1 1 A 43 43 GLY HA3 H 43 4.055 3.997 0.058 1
1 297 . 20 1 1 A 43 43 GLY N N 43 112.916 109.011 3.905 1
1 298 . 20 1 1 A 44 44 ALA H H 44 9.156 7.984 1.172 1
1 299 . 20 1 1 A 44 44 ALA HA H 44 4.395 4.814 -0.419 1
1 303 . 20 1 1 A 44 44 ALA N N 44 129.120 122.402 6.718 1
1 310 . 20 1 1 A 46 46 LYS H H 46 8.229 8.663 -0.434 1
1 311 . 20 1 1 A 46 46 LYS HA H 46 4.117 3.709 0.408 1
1 320 . 20 1 1 A 46 46 LYS N N 46 118.692 123.574 -4.882 1
1 321 . 20 1 1 A 47 47 SER H H 47 8.070 8.124 -0.054 1
1 322 . 20 1 1 A 47 47 SER HA H 47 4.377 4.368 0.009 1
1 323 . 20 1 1 A 47 47 SER N N 47 110.772 117.291 -6.519 1
1 324 . 20 1 1 A 48 48 GLU H H 48 8.476 7.872 0.604 1
1 329 . 20 1 1 A 48 48 GLU N N 48 119.845 118.792 1.053 1
1 330 . 20 1 1 A 49 49 PHE H H 49 8.116 7.655 0.461 1
1 331 . 20 1 1 A 49 49 PHE HA H 49 5.436 4.903 0.533 1
1 339 . 20 1 1 A 49 49 PHE N N 49 122.914 120.215 2.699 1
1 340 . 20 1 1 A 50 50 GLU H H 50 9.055 9.057 -0.002 1
1 345 . 20 1 1 A 50 50 GLU N N 50 119.977 121.492 -1.515 1
1 346 . 20 1 1 A 51 51 ALA H H 51 8.557 8.836 -0.279 1
1 347 . 20 1 1 A 51 51 ALA HA H 51 3.306 4.102 -0.796 1
1 351 . 20 1 1 A 51 51 ALA N N 51 127.085 126.588 0.497 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 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 43 0.744 1
5 1 1 1 "RMS(OBS, PRED)" HA 52 0.443 1
6 1 1 1 "RMS(OBS, PRED)" N 43 4.070 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 43 0.777 1
11 1 2 1 "RMS(OBS, PRED)" HA 52 0.462 1
12 1 2 1 "RMS(OBS, PRED)" N 43 3.888 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 43 0.788 1
17 1 3 1 "RMS(OBS, PRED)" HA 52 0.439 1
18 1 3 1 "RMS(OBS, PRED)" N 43 3.584 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 43 0.757 1
23 1 4 1 "RMS(OBS, PRED)" HA 52 0.415 1
24 1 4 1 "RMS(OBS, PRED)" N 43 4.152 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 43 0.774 1
29 1 5 1 "RMS(OBS, PRED)" HA 52 0.428 1
30 1 5 1 "RMS(OBS, PRED)" N 43 3.757 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 43 nan 1
35 1 6 1 "RMS(OBS, PRED)" HA 52 0.439 1
36 1 6 1 "RMS(OBS, PRED)" N 43 3.940 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 43 0.812 1
41 1 7 1 "RMS(OBS, PRED)" HA 52 0.423 1
42 1 7 1 "RMS(OBS, PRED)" N 43 3.909 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 43 0.727 1
47 1 8 1 "RMS(OBS, PRED)" HA 52 0.369 1
48 1 8 1 "RMS(OBS, PRED)" N 43 4.103 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 43 0.740 1
53 1 9 1 "RMS(OBS, PRED)" HA 52 0.466 1
54 1 9 1 "RMS(OBS, PRED)" N 43 4.005 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 43 nan 1
59 1 10 1 "RMS(OBS, PRED)" HA 52 0.450 1
60 1 10 1 "RMS(OBS, PRED)" N 43 4.183 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 43 0.767 1
65 1 11 1 "RMS(OBS, PRED)" HA 52 0.452 1
66 1 11 1 "RMS(OBS, PRED)" N 43 3.916 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 43 0.751 1
71 1 12 1 "RMS(OBS, PRED)" HA 52 0.510 1
72 1 12 1 "RMS(OBS, PRED)" N 43 4.073 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 43 0.788 1
77 1 13 1 "RMS(OBS, PRED)" HA 52 0.388 1
78 1 13 1 "RMS(OBS, PRED)" N 43 4.090 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 43 nan 1
83 1 14 1 "RMS(OBS, PRED)" HA 52 0.457 1
84 1 14 1 "RMS(OBS, PRED)" N 43 3.819 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 43 0.771 1
89 1 15 1 "RMS(OBS, PRED)" HA 52 0.453 1
90 1 15 1 "RMS(OBS, PRED)" N 43 3.875 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 43 0.760 1
95 1 16 1 "RMS(OBS, PRED)" HA 52 0.453 1
96 1 16 1 "RMS(OBS, PRED)" N 43 3.999 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 43 0.811 1
101 1 17 1 "RMS(OBS, PRED)" HA 52 0.490 1
102 1 17 1 "RMS(OBS, PRED)" N 43 3.814 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 43 0.798 1
107 1 18 1 "RMS(OBS, PRED)" HA 52 0.442 1
108 1 18 1 "RMS(OBS, PRED)" N 43 3.988 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 43 0.754 1
113 1 19 1 "RMS(OBS, PRED)" HA 52 0.434 1
114 1 19 1 "RMS(OBS, PRED)" N 43 3.880 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 43 0.777 1
119 1 20 1 "RMS(OBS, PRED)" HA 52 0.440 1
120 1 20 1 "RMS(OBS, PRED)" N 43 3.839 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 5 . 1 1 A 2 2 LYS HA H 2 4.325 4.436 -0.111 2
1 12 . 1 1 A 3 3 LYS H H 3 8.325 7.027 1.298 2
1 13 . 1 1 A 3 3 LYS HA H 3 4.881 4.767 0.114 2
1 22 . 1 1 A 3 3 LYS N N 3 121.705 121.771 -0.066 2
1 23 . 1 1 A 4 4 TYR H H 4 8.556 7.538 1.018 2
1 24 . 1 1 A 4 4 TYR HA H 4 4.931 5.432 -0.501 2
1 31 . 1 1 A 4 4 TYR N N 4 120.748 120.822 -0.074 2
1 32 . 1 1 A 5 5 VAL H H 5 9.498 7.556 1.942 2
1 33 . 1 1 A 5 5 VAL HA H 5 5.132 5.033 0.099 2
1 41 . 1 1 A 5 5 VAL N N 5 120.677 119.537 1.140 2
1 42 . 1 1 A 6 6 CYS H H 6 9.438 7.445 1.993 2
1 43 . 1 1 A 6 6 CYS HA H 6 2.742 3.980 -1.238 2
1 46 . 1 1 A 6 6 CYS N N 6 131.360 124.928 6.432 2
1 47 . 1 1 A 7 7 THR H H 7 8.289 7.412 0.877 2
1 48 . 1 1 A 7 7 THR HA H 7 4.365 4.409 -0.044 2
1 53 . 1 1 A 7 7 THR N N 7 122.494 119.253 3.241 2
1 54 . 1 1 A 8 8 VAL H H 8 9.102 6.659 2.443 2
1 55 . 1 1 A 8 8 VAL HA H 8 3.934 3.975 -0.041 2
1 63 . 1 1 A 8 8 VAL N N 8 126.451 120.527 5.924 2
1 64 . 1 1 A 9 9 CYS H H 9 9.195 6.754 2.441 2
1 65 . 1 1 A 9 9 CYS HA H 9 4.980 4.529 0.451 2
1 68 . 1 1 A 9 9 CYS N N 9 121.274 116.199 5.075 2
1 69 . 1 1 A 10 10 GLY H H 10 7.821 8.021 -0.200 2
1 70 . 1 1 A 10 10 GLY HA2 H 10 3.663 4.009 -0.346 2
1 71 . 1 1 A 10 10 GLY HA3 H 10 4.251 4.028 0.223 2
1 72 . 1 1 A 10 10 GLY N N 10 113.067 109.097 3.970 2
1 73 . 1 1 A 11 11 TYR H H 11 9.393 6.705 2.688 2
1 74 . 1 1 A 11 11 TYR HA H 11 4.213 4.711 -0.498 2
1 81 . 1 1 A 11 11 TYR N N 11 128.218 121.649 6.569 2
1 82 . 1 1 A 12 12 GLU H H 12 7.456 7.578 -0.122 2
1 83 . 1 1 A 12 12 GLU HA H 12 4.887 4.858 0.029 2
1 88 . 1 1 A 12 12 GLU N N 12 127.210 123.952 3.258 2
1 89 . 1 1 A 13 13 TYR H H 13 9.540 7.534 2.006 2
1 90 . 1 1 A 13 13 TYR HA H 13 4.445 4.963 -0.518 2
1 98 . 1 1 A 13 13 TYR N N 13 125.578 125.275 0.303 2
1 99 . 1 1 A 14 14 ASP H H 14 8.390 7.408 0.982 2
1 100 . 1 1 A 14 14 ASP HA H 14 5.013 4.984 0.029 2
1 103 . 1 1 A 14 14 ASP N N 14 128.076 127.909 0.167 2
1 104 . 1 1 A 15 15 PRO HA H 15 4.008 4.299 -0.291 2
1 111 . 1 1 A 16 16 ALA H H 16 7.897 7.044 0.853 2
1 112 . 1 1 A 16 16 ALA HA H 16 3.910 4.060 -0.150 2
1 116 . 1 1 A 16 16 ALA N N 16 116.302 120.651 -4.349 2
1 117 . 1 1 A 17 17 GLU H H 17 7.388 6.797 0.591 2
1 118 . 1 1 A 17 17 GLU HA H 17 4.354 4.364 -0.010 2
1 123 . 1 1 A 17 17 GLU N N 17 114.338 113.873 0.465 2
1 124 . 1 1 A 18 18 GLY H H 18 8.069 7.680 0.389 2
1 125 . 1 1 A 18 18 GLY HA2 H 18 3.963 3.983 -0.020 2
1 126 . 1 1 A 18 18 GLY HA3 H 18 3.510 4.020 -0.510 2
1 127 . 1 1 A 18 18 GLY N N 18 105.574 108.977 -3.403 2
1 128 . 1 1 A 19 19 ASP H H 19 8.141 7.280 0.861 2
1 129 . 1 1 A 19 19 ASP HA H 19 5.198 5.263 -0.065 2
1 132 . 1 1 A 19 19 ASP N N 19 117.708 121.135 -3.427 2
1 133 . 1 1 A 20 20 PRO HA H 20 4.005 4.482 -0.477 2
1 140 . 1 1 A 21 21 ASP H H 21 9.391 7.184 2.207 2
1 141 . 1 1 A 21 21 ASP HA H 21 4.473 4.407 0.066 2
1 144 . 1 1 A 21 21 ASP N N 21 120.881 118.272 2.609 2
1 145 . 1 1 A 22 22 ASN H H 22 7.663 6.770 0.893 2
1 146 . 1 1 A 22 22 ASN HA H 22 5.078 4.817 0.261 2
1 151 . 1 1 A 22 22 ASN N N 22 114.971 114.869 0.102 2
1 152 . 1 1 A 23 23 GLY H H 23 7.678 7.884 -0.206 2
1 153 . 1 1 A 23 23 GLY HA2 H 23 4.165 4.034 0.131 2
1 154 . 1 1 A 23 23 GLY HA3 H 23 3.789 4.036 -0.247 2
1 155 . 1 1 A 23 23 GLY N N 23 105.605 106.181 -0.576 2
1 156 . 1 1 A 24 24 VAL H H 24 7.556 6.706 0.850 2
1 157 . 1 1 A 24 24 VAL HA H 24 4.167 4.386 -0.220 2
1 165 . 1 1 A 24 24 VAL N N 24 122.396 121.442 0.954 2
1 166 . 1 1 A 25 25 LYS H H 25 8.552 7.316 1.236 2
1 167 . 1 1 A 25 25 LYS HA H 25 4.414 4.580 -0.166 2
1 174 . 1 1 A 25 25 LYS N N 25 128.930 125.113 3.817 2
1 175 . 1 1 A 26 26 PRO HA H 26 3.683 4.573 -0.890 2
1 180 . 1 1 A 27 27 GLY H H 27 8.708 8.363 0.345 2
1 181 . 1 1 A 27 27 GLY HA2 H 27 4.172 4.056 0.116 2
1 182 . 1 1 A 27 27 GLY HA3 H 27 3.419 4.059 -0.640 2
1 183 . 1 1 A 27 27 GLY N N 27 112.997 109.597 3.399 2
1 184 . 1 1 A 28 28 THR H H 28 7.133 6.635 0.498 2
1 185 . 1 1 A 28 28 THR HA H 28 4.197 4.804 -0.607 2
1 191 . 1 1 A 28 28 THR N N 28 117.317 115.104 2.213 2
1 192 . 1 1 A 29 29 SER H H 29 9.543 7.564 1.979 2
1 193 . 1 1 A 29 29 SER HA H 29 3.951 4.592 -0.641 2
1 195 . 1 1 A 29 29 SER N N 29 127.007 122.422 4.585 2
1 196 . 1 1 A 30 30 PHE H H 30 9.546 7.689 1.857 2
1 197 . 1 1 A 30 30 PHE HA H 30 3.288 3.953 -0.665 2
1 205 . 1 1 A 30 30 PHE N N 30 124.800 123.327 1.473 2
1 206 . 1 1 A 31 31 ASP H H 31 7.915 7.102 0.813 2
1 207 . 1 1 A 31 31 ASP HA H 31 4.005 4.510 -0.505 2
1 210 . 1 1 A 31 31 ASP N N 31 114.735 118.735 -4.000 2
1 211 . 1 1 A 32 32 ASP H H 32 7.330 6.687 0.643 2
1 212 . 1 1 A 32 32 ASP HA H 32 4.524 4.655 -0.131 2
1 215 . 1 1 A 32 32 ASP N N 32 117.008 118.078 -1.070 2
1 216 . 1 1 A 33 33 LEU H H 33 6.802 6.302 0.500 2
1 217 . 1 1 A 33 33 LEU HA H 33 3.773 4.190 -0.417 2
1 227 . 1 1 A 33 33 LEU N N 33 123.359 121.863 1.496 2
1 228 . 1 1 A 34 34 PRO HA H 34 4.277 4.548 -0.271 2
1 235 . 1 1 A 35 35 ALA H H 35 7.896 7.204 0.692 2
1 236 . 1 1 A 35 35 ALA HA H 35 3.932 4.227 -0.295 2
1 240 . 1 1 A 35 35 ALA N N 35 129.585 122.905 6.680 2
1 241 . 1 1 A 36 36 ASP H H 36 8.216 6.874 1.342 2
1 242 . 1 1 A 36 36 ASP HA H 36 4.555 4.798 -0.243 2
1 245 . 1 1 A 36 36 ASP N N 36 112.620 116.230 -3.610 2
1 246 . 1 1 A 37 37 TRP H H 37 7.625 6.572 1.053 2
1 247 . 1 1 A 37 37 TRP HA H 37 4.112 4.792 -0.680 2
1 256 . 1 1 A 37 37 TRP N N 37 123.123 122.835 0.288 2
1 257 . 1 1 A 38 38 VAL H H 38 6.310 7.387 -1.077 2
1 258 . 1 1 A 38 38 VAL HA H 38 4.395 4.616 -0.221 2
1 266 . 1 1 A 38 38 VAL N N 38 117.596 119.580 -1.984 2
1 267 . 1 1 A 39 39 CYS H H 39 8.991 7.307 1.684 2
1 268 . 1 1 A 39 39 CYS HA H 39 3.817 4.339 -0.522 2
1 271 . 1 1 A 39 39 CYS N N 39 121.584 121.908 -0.324 2
1 272 . 1 1 A 40 40 PRO HA H 40 4.075 4.411 -0.336 2
1 279 . 1 1 A 41 41 VAL H H 41 8.754 6.604 2.150 2
1 280 . 1 1 A 41 41 VAL HA H 41 3.893 3.823 0.070 2
1 288 . 1 1 A 41 41 VAL N N 41 123.419 115.274 8.145 2
1 289 . 1 1 A 42 42 CYS H H 42 8.824 6.871 1.953 2
1 290 . 1 1 A 42 42 CYS HA H 42 4.893 4.594 0.299 2
1 293 . 1 1 A 42 42 CYS N N 42 121.044 115.103 5.941 2
1 294 . 1 1 A 43 43 GLY H H 43 7.892 7.734 0.158 2
1 295 . 1 1 A 43 43 GLY HA2 H 43 3.526 3.928 -0.402 2
1 296 . 1 1 A 43 43 GLY HA3 H 43 4.055 3.988 0.067 2
1 297 . 1 1 A 43 43 GLY N N 43 112.916 109.065 3.851 2
1 298 . 1 1 A 44 44 ALA H H 44 9.156 6.706 2.450 2
1 299 . 1 1 A 44 44 ALA HA H 44 4.395 4.752 -0.357 2
1 303 . 1 1 A 44 44 ALA N N 44 129.120 122.876 6.244 2
1 310 . 1 1 A 46 46 LYS H H 46 8.229 7.325 0.904 2
1 311 . 1 1 A 46 46 LYS HA H 46 4.117 4.136 -0.019 2
1 320 . 1 1 A 46 46 LYS N N 46 118.692 122.110 -3.418 2
1 321 . 1 1 A 47 47 SER H H 47 8.070 6.874 1.196 2
1 322 . 1 1 A 47 47 SER HA H 47 4.377 4.422 -0.045 2
1 323 . 1 1 A 47 47 SER N N 47 110.772 115.236 -4.464 2
1 324 . 1 1 A 48 48 GLU H H 48 8.476 6.725 1.751 2
1 329 . 1 1 A 48 48 GLU N N 48 119.845 118.373 1.472 2
1 330 . 1 1 A 49 49 PHE H H 49 8.116 6.505 1.611 2
1 331 . 1 1 A 49 49 PHE HA H 49 5.436 5.177 0.259 2
1 339 . 1 1 A 49 49 PHE N N 49 122.914 119.807 3.107 2
1 340 . 1 1 A 50 50 GLU H H 50 9.055 7.563 1.492 2
1 345 . 1 1 A 50 50 GLU N N 50 119.977 122.456 -2.479 2
1 346 . 1 1 A 51 51 ALA H H 51 8.557 7.372 1.185 2
1 347 . 1 1 A 51 51 ALA HA H 51 3.306 4.108 -0.802 2
1 351 . 1 1 A 51 51 ALA N N 51 127.085 124.321 2.764 2
stop_
save_