data_16087_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16087
_Entry.PDB_ID 2KCN
_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 4 . 1 1 1 A 2 2 LYS H H 2 8.219 8.015 0.204 1
1 5 . 1 1 1 A 2 2 LYS HA H 2 5.318 4.602 0.716 1
1 6 . 1 1 1 A 2 2 LYS CA C 2 52.348 54.593 -2.245 1
1 7 . 1 1 1 A 2 2 LYS N N 2 120.076 116.416 3.660 1
1 8 . 1 1 1 A 3 3 TYR H H 3 8.999 8.749 0.250 1
1 9 . 1 1 1 A 3 3 TYR HA H 3 4.883 5.153 -0.270 1
1 10 . 1 1 1 A 3 3 TYR CA C 3 53.848 56.291 -2.443 1
1 11 . 1 1 1 A 3 3 TYR N N 3 122.800 118.177 4.623 1
1 12 . 1 1 1 A 4 4 THR H H 4 8.885 8.570 0.315 1
1 13 . 1 1 1 A 4 4 THR HA H 4 5.117 5.310 -0.193 1
1 14 . 1 1 1 A 4 4 THR CA C 4 58.871 60.403 -1.532 1
1 15 . 1 1 1 A 4 4 THR CB C 4 67.850 72.268 -4.418 1
1 16 . 1 1 1 A 4 4 THR N N 4 117.092 115.686 1.406 1
1 17 . 1 1 1 A 5 5 GLY H H 5 9.159 7.899 1.260 1
1 18 . 1 1 1 A 5 5 GLY HA2 H 5 4.075 4.371 -0.296 1
1 19 . 1 1 1 A 5 5 GLY HA3 H 5 4.075 4.382 -0.307 1
1 20 . 1 1 1 A 5 5 GLY CA C 5 42.597 46.137 -3.540 1
1 21 . 1 1 1 A 5 5 GLY N N 5 115.357 111.392 3.965 1
1 22 . 1 1 1 A 6 6 LYS H H 6 8.495 8.411 0.084 1
1 23 . 1 1 1 A 6 6 LYS HA H 6 5.460 5.123 0.337 1
1 24 . 1 1 1 A 6 6 LYS CA C 6 51.686 54.535 -2.849 1
1 25 . 1 1 1 A 6 6 LYS N N 6 121.225 120.688 0.537 1
1 26 . 1 1 1 A 7 7 CYS H H 7 9.847 8.709 1.138 1
1 27 . 1 1 1 A 7 7 CYS HA H 7 6.406 5.493 0.913 1
1 28 . 1 1 1 A 7 7 CYS CA C 7 50.542 57.513 -6.971 1
1 29 . 1 1 1 A 7 7 CYS N N 7 122.602 118.757 3.845 1
1 30 . 1 1 1 A 8 8 THR H H 8 8.726 8.230 0.496 1
1 31 . 1 1 1 A 8 8 THR HA H 8 4.793 4.875 -0.082 1
1 32 . 1 1 1 A 8 8 THR CA C 8 57.418 60.800 -3.382 1
1 33 . 1 1 1 A 8 8 THR CB C 8 68.450 71.402 -2.952 1
1 34 . 1 1 1 A 8 8 THR N N 8 113.380 112.196 1.184 1
1 35 . 1 1 1 A 9 9 LYS H H 9 8.993 8.764 0.229 1
1 36 . 1 1 1 A 9 9 LYS HA H 9 3.627 4.052 -0.425 1
1 37 . 1 1 1 A 9 9 LYS CA C 9 57.323 59.011 -1.688 1
1 38 . 1 1 1 A 9 9 LYS N N 9 127.577 123.612 3.965 1
1 39 . 1 1 1 A 10 10 SER H H 10 9.424 7.841 1.583 1
1 40 . 1 1 1 A 10 10 SER HA H 10 4.094 4.400 -0.306 1
1 41 . 1 1 1 A 10 10 SER CA C 10 59.187 60.097 -0.910 1
1 42 . 1 1 1 A 10 10 SER CB C 10 59.200 63.634 -4.434 1
1 43 . 1 1 1 A 10 10 SER N N 10 116.462 111.664 4.798 1
1 44 . 1 1 1 A 11 11 LYS H H 11 7.083 7.522 -0.439 1
1 45 . 1 1 1 A 11 11 LYS HA H 11 4.258 4.833 -0.575 1
1 46 . 1 1 1 A 11 11 LYS CA C 11 53.366 55.234 -1.868 1
1 47 . 1 1 1 A 11 11 LYS N N 11 117.002 120.833 -3.831 1
1 48 . 1 1 1 A 12 12 ASN H H 12 7.681 8.887 -1.206 1
1 49 . 1 1 1 A 12 12 ASN HA H 12 4.646 4.812 -0.166 1
1 50 . 1 1 1 A 12 12 ASN CA C 12 51.004 52.486 -1.482 1
1 51 . 1 1 1 A 12 12 ASN N N 12 120.475 125.957 -5.482 1
1 52 . 1 1 1 A 13 13 GLU H H 13 7.314 8.214 -0.900 1
1 53 . 1 1 1 A 13 13 GLU HA H 13 4.960 5.158 -0.198 1
1 54 . 1 1 1 A 13 13 GLU CA C 13 52.227 54.525 -2.298 1
1 55 . 1 1 1 A 13 13 GLU N N 13 114.791 121.096 -6.305 1
1 56 . 1 1 1 A 14 14 CYS H H 14 9.691 9.117 0.574 1
1 57 . 1 1 1 A 14 14 CYS HA H 14 4.738 4.711 0.027 1
1 58 . 1 1 1 A 14 14 CYS N N 14 123.353 121.721 1.632 1
1 59 . 1 1 1 A 15 15 LYS H H 15 8.714 7.949 0.765 1
1 60 . 1 1 1 A 15 15 LYS HA H 15 5.015 3.959 1.056 1
1 61 . 1 1 1 A 15 15 LYS CA C 15 51.724 55.834 -4.110 1
1 62 . 1 1 1 A 15 15 LYS N N 15 130.540 122.094 8.446 1
1 63 . 1 1 1 A 16 16 TYR H H 16 9.038 7.943 1.095 1
1 64 . 1 1 1 A 16 16 TYR HA H 16 4.993 5.166 -0.173 1
1 65 . 1 1 1 A 16 16 TYR CA C 16 52.239 56.011 -3.772 1
1 66 . 1 1 1 A 16 16 TYR N N 16 126.577 118.057 8.520 1
1 67 . 1 1 1 A 17 17 LYS H H 17 8.453 8.901 -0.448 1
1 68 . 1 1 1 A 17 17 LYS HA H 17 4.504 5.079 -0.575 1
1 69 . 1 1 1 A 17 17 LYS CA C 17 51.878 54.212 -2.334 1
1 70 . 1 1 1 A 17 17 LYS N N 17 120.816 116.526 4.290 1
1 71 . 1 1 1 A 18 18 ASN H H 18 7.811 8.292 -0.481 1
1 72 . 1 1 1 A 18 18 ASN HA H 18 4.181 5.046 -0.865 1
1 73 . 1 1 1 A 18 18 ASN CA C 18 48.245 50.993 -2.748 1
1 74 . 1 1 1 A 18 18 ASN N N 18 122.171 118.963 3.208 1
1 75 . 1 1 1 A 19 19 ASP H H 19 8.284 9.211 -0.927 1
1 76 . 1 1 1 A 19 19 ASP HA H 19 4.469 4.520 -0.051 1
1 77 . 1 1 1 A 19 19 ASP CA C 19 54.562 56.267 -1.705 1
1 78 . 1 1 1 A 19 19 ASP N N 19 117.497 118.527 -1.030 1
1 79 . 1 1 1 A 20 20 ALA H H 20 7.482 8.067 -0.585 1
1 80 . 1 1 1 A 20 20 ALA HA H 20 4.471 4.479 -0.008 1
1 81 . 1 1 1 A 20 20 ALA CA C 20 48.893 51.251 -2.358 1
1 82 . 1 1 1 A 20 20 ALA CB C 20 16.190 19.357 -3.167 1
1 83 . 1 1 1 A 20 20 ALA N N 20 120.920 119.358 1.562 1
1 84 . 1 1 1 A 21 21 GLY H H 21 8.229 7.974 0.255 1
1 85 . 1 1 1 A 21 21 GLY HA2 H 21 4.173 4.007 0.166 1
1 86 . 1 1 1 A 21 21 GLY HA3 H 21 4.173 4.014 0.159 1
1 87 . 1 1 1 A 21 21 GLY CA C 21 43.316 45.311 -1.995 1
1 88 . 1 1 1 A 21 21 GLY N N 21 107.360 106.362 0.998 1
1 89 . 1 1 1 A 22 22 LYS H H 22 7.721 7.701 0.020 1
1 90 . 1 1 1 A 22 22 LYS HA H 22 4.390 4.302 0.088 1
1 91 . 1 1 1 A 22 22 LYS CA C 22 51.822 55.526 -3.704 1
1 92 . 1 1 1 A 22 22 LYS N N 22 120.479 121.333 -0.854 1
1 93 . 1 1 1 A 23 23 ASP H H 23 8.641 8.419 0.222 1
1 94 . 1 1 1 A 23 23 ASP HA H 23 4.365 4.366 -0.001 1
1 95 . 1 1 1 A 23 23 ASP CA C 23 53.040 54.728 -1.688 1
1 96 . 1 1 1 A 23 23 ASP N N 23 126.541 126.327 0.214 1
1 97 . 1 1 1 A 24 24 THR H H 24 8.829 8.243 0.586 1
1 98 . 1 1 1 A 24 24 THR HA H 24 4.098 4.694 -0.596 1
1 99 . 1 1 1 A 24 24 THR CA C 24 59.221 60.731 -1.510 1
1 100 . 1 1 1 A 24 24 THR CB C 24 67.990 71.101 -3.111 1
1 101 . 1 1 1 A 24 24 THR N N 24 122.790 118.395 4.395 1
1 102 . 1 1 1 A 25 25 PHE H H 25 8.328 9.015 -0.687 1
1 103 . 1 1 1 A 25 25 PHE HA H 25 5.474 5.216 0.258 1
1 104 . 1 1 1 A 25 25 PHE CA C 25 53.722 56.468 -2.746 1
1 105 . 1 1 1 A 25 25 PHE N N 25 122.281 124.498 -2.217 1
1 106 . 1 1 1 A 26 26 ILE H H 26 9.138 8.571 0.567 1
1 107 . 1 1 1 A 26 26 ILE HA H 26 4.671 4.901 -0.230 1
1 108 . 1 1 1 A 26 26 ILE CA C 26 57.078 59.898 -2.820 1
1 109 . 1 1 1 A 26 26 ILE N N 26 123.064 123.695 -0.631 1
1 110 . 1 1 1 A 27 27 LYS H H 27 8.358 8.581 -0.223 1
1 111 . 1 1 1 A 27 27 LYS HA H 27 4.280 4.555 -0.275 1
1 112 . 1 1 1 A 27 27 LYS CA C 27 55.254 57.017 -1.763 1
1 113 . 1 1 1 A 27 27 LYS N N 27 127.092 127.688 -0.596 1
1 114 . 1 1 1 A 28 28 CYS H H 28 8.521 8.591 -0.070 1
1 115 . 1 1 1 A 28 28 CYS HA H 28 4.653 4.635 0.018 1
1 116 . 1 1 1 A 28 28 CYS CA C 28 54.049 58.806 -4.757 1
1 117 . 1 1 1 A 28 28 CYS N N 28 119.722 122.247 -2.525 1
1 118 . 1 1 1 A 29 29 PRO HA H 29 4.427 4.851 -0.424 1
1 119 . 1 1 1 A 29 29 PRO CA C 29 60.107 62.447 -2.340 1
1 120 . 1 1 1 A 30 30 LYS H H 30 8.055 8.327 -0.272 1
1 121 . 1 1 1 A 30 30 LYS HA H 30 4.048 4.750 -0.702 1
1 122 . 1 1 1 A 30 30 LYS CA C 30 53.665 55.274 -1.609 1
1 123 . 1 1 1 A 30 30 LYS N N 30 116.627 123.281 -6.654 1
1 124 . 1 1 1 A 31 31 PHE H H 31 6.526 8.775 -2.249 1
1 125 . 1 1 1 A 31 31 PHE HA H 31 4.608 4.659 -0.051 1
1 126 . 1 1 1 A 31 31 PHE CA C 31 54.082 57.689 -3.607 1
1 127 . 1 1 1 A 31 31 PHE N N 31 116.828 123.757 -6.929 1
1 128 . 1 1 1 A 32 32 ASP H H 32 8.809 9.162 -0.353 1
1 129 . 1 1 1 A 32 32 ASP HA H 32 4.238 4.315 -0.077 1
1 130 . 1 1 1 A 32 32 ASP CA C 32 54.669 55.437 -0.768 1
1 131 . 1 1 1 A 32 32 ASP N N 32 121.542 124.401 -2.859 1
1 132 . 1 1 1 A 33 33 ASN H H 33 8.540 8.445 0.095 1
1 133 . 1 1 1 A 33 33 ASN HA H 33 4.636 4.951 -0.315 1
1 134 . 1 1 1 A 33 33 ASN CA C 33 51.706 54.465 -2.759 1
1 135 . 1 1 1 A 33 33 ASN N N 33 113.646 114.480 -0.834 1
1 136 . 1 1 1 A 34 34 LYS H H 34 7.737 7.577 0.160 1
1 137 . 1 1 1 A 34 34 LYS HA H 34 4.935 4.627 0.308 1
1 138 . 1 1 1 A 34 34 LYS CA C 34 52.839 55.383 -2.544 1
1 139 . 1 1 1 A 34 34 LYS N N 34 117.519 118.259 -0.740 1
1 140 . 1 1 1 A 35 35 LYS H H 35 6.969 8.610 -1.641 1
1 141 . 1 1 1 A 35 35 LYS HA H 35 4.601 4.431 0.170 1
1 142 . 1 1 1 A 35 35 LYS CA C 35 52.439 55.730 -3.291 1
1 143 . 1 1 1 A 35 35 LYS N N 35 116.846 123.853 -7.007 1
1 144 . 1 1 1 A 36 36 CYS H H 36 8.672 8.010 0.662 1
1 145 . 1 1 1 A 36 36 CYS HA H 36 4.781 4.437 0.344 1
1 146 . 1 1 1 A 36 36 CYS CA C 36 49.490 59.529 -10.039 1
1 147 . 1 1 1 A 36 36 CYS N N 36 118.220 118.020 0.200 1
1 148 . 1 1 1 A 37 37 THR H H 37 10.153 8.530 1.623 1
1 149 . 1 1 1 A 37 37 THR HA H 37 4.287 4.640 -0.353 1
1 150 . 1 1 1 A 37 37 THR CA C 37 60.509 60.749 -0.240 1
1 151 . 1 1 1 A 37 37 THR CB C 37 68.160 69.024 -0.864 1
1 152 . 1 1 1 A 37 37 THR N N 37 121.911 115.492 6.419 1
1 153 . 1 1 1 A 38 38 LYS H H 38 7.346 7.465 -0.119 1
1 154 . 1 1 1 A 38 38 LYS HA H 38 4.235 4.561 -0.326 1
1 155 . 1 1 1 A 38 38 LYS CA C 38 54.060 56.001 -1.941 1
1 156 . 1 1 1 A 38 38 LYS N N 38 122.163 121.905 0.258 1
1 157 . 1 1 1 A 39 39 ASP H H 39 8.827 8.730 0.097 1
1 158 . 1 1 1 A 39 39 ASP HA H 39 4.642 4.294 0.348 1
1 159 . 1 1 1 A 39 39 ASP CA C 39 52.593 55.430 -2.837 1
1 160 . 1 1 1 A 39 39 ASP N N 39 124.992 124.993 -0.001 1
1 161 . 1 1 1 A 40 40 ASN H H 40 9.522 9.222 0.300 1
1 162 . 1 1 1 A 40 40 ASN HA H 40 4.338 4.638 -0.300 1
1 163 . 1 1 1 A 40 40 ASN CA C 40 53.076 54.359 -1.283 1
1 164 . 1 1 1 A 40 40 ASN N N 40 114.854 119.178 -4.324 1
1 165 . 1 1 1 A 41 41 ASN H H 41 7.801 7.744 0.057 1
1 166 . 1 1 1 A 41 41 ASN HA H 41 4.779 4.505 0.274 1
1 167 . 1 1 1 A 41 41 ASN N N 41 120.270 115.749 4.521 1
1 168 . 1 1 1 A 42 42 LYS H H 42 8.529 7.606 0.923 1
1 169 . 1 1 1 A 42 42 LYS HA H 42 4.469 4.658 -0.189 1
1 170 . 1 1 1 A 42 42 LYS CA C 42 54.420 55.842 -1.422 1
1 171 . 1 1 1 A 42 42 LYS N N 42 119.707 116.209 3.498 1
1 172 . 1 1 1 A 43 43 CYS H H 43 7.612 8.574 -0.962 1
1 173 . 1 1 1 A 43 43 CYS HA H 43 5.440 5.027 0.413 1
1 174 . 1 1 1 A 43 43 CYS CA C 43 51.081 58.160 -7.079 1
1 175 . 1 1 1 A 43 43 CYS N N 43 113.820 121.975 -8.155 1
1 176 . 1 1 1 A 44 44 THR H H 44 9.039 8.487 0.552 1
1 177 . 1 1 1 A 44 44 THR HA H 44 5.322 5.024 0.298 1
1 178 . 1 1 1 A 44 44 THR CA C 44 57.334 60.778 -3.444 1
1 179 . 1 1 1 A 44 44 THR CB C 44 69.530 71.754 -2.224 1
1 180 . 1 1 1 A 44 44 THR N N 44 113.118 114.214 -1.096 1
1 181 . 1 1 1 A 45 45 VAL H H 45 8.647 8.490 0.157 1
1 182 . 1 1 1 A 45 45 VAL HA H 45 4.544 4.992 -0.448 1
1 183 . 1 1 1 A 45 45 VAL CA C 45 58.290 60.102 -1.812 1
1 184 . 1 1 1 A 45 45 VAL N N 45 122.102 123.105 -1.003 1
1 185 . 1 1 1 A 46 46 ASP H H 46 8.624 8.865 -0.241 1
1 186 . 1 1 1 A 46 46 ASP HA H 46 5.396 5.233 0.163 1
1 187 . 1 1 1 A 46 46 ASP CA C 46 49.354 52.555 -3.201 1
1 188 . 1 1 1 A 46 46 ASP N N 46 126.564 126.215 0.349 1
1 189 . 1 1 1 A 47 47 THR H H 47 9.122 8.443 0.679 1
1 190 . 1 1 1 A 47 47 THR HA H 47 4.274 4.301 -0.027 1
1 191 . 1 1 1 A 47 47 THR CA C 47 60.700 64.718 -4.018 1
1 192 . 1 1 1 A 47 47 THR CB C 47 66.440 68.757 -2.317 1
1 193 . 1 1 1 A 47 47 THR N N 47 114.486 119.749 -5.263 1
1 194 . 1 1 1 A 48 48 TYR H H 48 8.834 8.084 0.750 1
1 195 . 1 1 1 A 48 48 TYR HA H 48 4.476 4.066 0.410 1
1 196 . 1 1 1 A 48 48 TYR CA C 48 57.699 62.001 -4.302 1
1 197 . 1 1 1 A 48 48 TYR N N 48 123.919 124.018 -0.099 1
1 198 . 1 1 1 A 49 49 ASN H H 49 7.563 7.824 -0.261 1
1 199 . 1 1 1 A 49 49 ASN HA H 49 4.569 5.037 -0.468 1
1 200 . 1 1 1 A 49 49 ASN CA C 49 49.441 52.000 -2.559 1
1 201 . 1 1 1 A 49 49 ASN N N 49 113.858 114.121 -0.263 1
1 202 . 1 1 1 A 50 50 ASN H H 50 7.915 7.804 0.111 1
1 203 . 1 1 1 A 50 50 ASN HA H 50 4.288 4.410 -0.122 1
1 204 . 1 1 1 A 50 50 ASN CA C 50 51.746 54.109 -2.363 1
1 205 . 1 1 1 A 50 50 ASN N N 50 117.382 116.074 1.308 1
1 206 . 1 1 1 A 51 51 ALA H H 51 7.904 7.355 0.549 1
1 207 . 1 1 1 A 51 51 ALA HA H 51 4.520 4.508 0.012 1
1 208 . 1 1 1 A 51 51 ALA CA C 51 49.621 51.398 -1.777 1
1 209 . 1 1 1 A 51 51 ALA CB C 51 17.920 19.335 -1.415 1
1 210 . 1 1 1 A 51 51 ALA N N 51 121.152 121.056 0.096 1
1 211 . 1 1 1 A 52 52 VAL H H 52 8.317 8.853 -0.536 1
1 212 . 1 1 1 A 52 52 VAL HA H 52 4.956 4.752 0.204 1
1 213 . 1 1 1 A 52 52 VAL CA C 52 58.076 61.851 -3.775 1
1 214 . 1 1 1 A 52 52 VAL N N 52 125.803 124.435 1.368 1
1 215 . 1 1 1 A 53 53 ASP H H 53 8.668 8.839 -0.171 1
1 216 . 1 1 1 A 53 53 ASP HA H 53 4.944 4.998 -0.054 1
1 217 . 1 1 1 A 53 53 ASP CA C 53 50.581 53.816 -3.235 1
1 218 . 1 1 1 A 53 53 ASP N N 53 126.104 127.394 -1.290 1
1 219 . 1 1 1 A 54 54 CYS H H 54 8.563 8.643 -0.080 1
1 220 . 1 1 1 A 54 54 CYS HA H 54 4.776 4.978 -0.202 1
1 221 . 1 1 1 A 54 54 CYS CA C 54 53.462 57.439 -3.977 1
1 222 . 1 1 1 A 54 54 CYS N N 54 123.741 116.188 7.553 1
1 4 . 2 1 1 A 2 2 LYS H H 2 8.219 7.998 0.221 1
1 5 . 2 1 1 A 2 2 LYS HA H 2 5.318 4.676 0.642 1
1 6 . 2 1 1 A 2 2 LYS CA C 2 52.348 54.311 -1.963 1
1 7 . 2 1 1 A 2 2 LYS N N 2 120.076 116.428 3.648 1
1 8 . 2 1 1 A 3 3 TYR H H 3 8.999 8.507 0.492 1
1 9 . 2 1 1 A 3 3 TYR HA H 3 4.883 5.042 -0.159 1
1 10 . 2 1 1 A 3 3 TYR CA C 3 53.848 56.653 -2.805 1
1 11 . 2 1 1 A 3 3 TYR N N 3 122.800 118.022 4.778 1
1 12 . 2 1 1 A 4 4 THR H H 4 8.885 8.938 -0.053 1
1 13 . 2 1 1 A 4 4 THR HA H 4 5.117 5.182 -0.065 1
1 14 . 2 1 1 A 4 4 THR CA C 4 58.871 59.728 -0.857 1
1 15 . 2 1 1 A 4 4 THR CB C 4 67.850 71.542 -3.692 1
1 16 . 2 1 1 A 4 4 THR N N 4 117.092 113.452 3.640 1
1 17 . 2 1 1 A 5 5 GLY H H 5 9.159 7.887 1.272 1
1 18 . 2 1 1 A 5 5 GLY HA2 H 5 4.075 4.344 -0.269 1
1 19 . 2 1 1 A 5 5 GLY HA3 H 5 4.075 4.359 -0.284 1
1 20 . 2 1 1 A 5 5 GLY CA C 5 42.597 46.176 -3.579 1
1 21 . 2 1 1 A 5 5 GLY N N 5 115.357 108.394 6.963 1
1 22 . 2 1 1 A 6 6 LYS H H 6 8.495 8.414 0.081 1
1 23 . 2 1 1 A 6 6 LYS HA H 6 5.460 5.129 0.331 1
1 24 . 2 1 1 A 6 6 LYS CA C 6 51.686 54.757 -3.071 1
1 25 . 2 1 1 A 6 6 LYS N N 6 121.225 120.983 0.242 1
1 26 . 2 1 1 A 7 7 CYS H H 7 9.847 8.755 1.092 1
1 27 . 2 1 1 A 7 7 CYS HA H 7 6.406 5.389 1.017 1
1 28 . 2 1 1 A 7 7 CYS CA C 7 50.542 57.566 -7.024 1
1 29 . 2 1 1 A 7 7 CYS N N 7 122.602 119.022 3.580 1
1 30 . 2 1 1 A 8 8 THR H H 8 8.726 8.128 0.598 1
1 31 . 2 1 1 A 8 8 THR HA H 8 4.793 4.890 -0.097 1
1 32 . 2 1 1 A 8 8 THR CA C 8 57.418 59.847 -2.429 1
1 33 . 2 1 1 A 8 8 THR CB C 8 68.450 70.844 -2.394 1
1 34 . 2 1 1 A 8 8 THR N N 8 113.380 117.210 -3.830 1
1 35 . 2 1 1 A 9 9 LYS H H 9 8.993 8.737 0.256 1
1 36 . 2 1 1 A 9 9 LYS HA H 9 3.627 4.055 -0.428 1
1 37 . 2 1 1 A 9 9 LYS CA C 9 57.323 58.866 -1.543 1
1 38 . 2 1 1 A 9 9 LYS N N 9 127.577 125.583 1.994 1
1 39 . 2 1 1 A 10 10 SER H H 10 9.424 7.560 1.864 1
1 40 . 2 1 1 A 10 10 SER HA H 10 4.094 4.355 -0.261 1
1 41 . 2 1 1 A 10 10 SER CA C 10 59.187 60.358 -1.171 1
1 42 . 2 1 1 A 10 10 SER CB C 10 59.200 63.525 -4.325 1
1 43 . 2 1 1 A 10 10 SER N N 10 116.462 112.135 4.327 1
1 44 . 2 1 1 A 11 11 LYS H H 11 7.083 7.880 -0.797 1
1 45 . 2 1 1 A 11 11 LYS HA H 11 4.258 4.671 -0.413 1
1 46 . 2 1 1 A 11 11 LYS CA C 11 53.366 55.380 -2.014 1
1 47 . 2 1 1 A 11 11 LYS N N 11 117.002 119.054 -2.052 1
1 48 . 2 1 1 A 12 12 ASN H H 12 7.681 8.968 -1.287 1
1 49 . 2 1 1 A 12 12 ASN HA H 12 4.646 4.802 -0.156 1
1 50 . 2 1 1 A 12 12 ASN CA C 12 51.004 52.213 -1.209 1
1 51 . 2 1 1 A 12 12 ASN N N 12 120.475 124.207 -3.732 1
1 52 . 2 1 1 A 13 13 GLU H H 13 7.314 8.147 -0.833 1
1 53 . 2 1 1 A 13 13 GLU HA H 13 4.960 5.211 -0.251 1
1 54 . 2 1 1 A 13 13 GLU CA C 13 52.227 54.577 -2.350 1
1 55 . 2 1 1 A 13 13 GLU N N 13 114.791 119.382 -4.591 1
1 56 . 2 1 1 A 14 14 CYS H H 14 9.691 9.372 0.319 1
1 57 . 2 1 1 A 14 14 CYS HA H 14 4.738 4.604 0.134 1
1 58 . 2 1 1 A 14 14 CYS N N 14 123.353 122.343 1.010 1
1 59 . 2 1 1 A 15 15 LYS H H 15 8.714 7.957 0.757 1
1 60 . 2 1 1 A 15 15 LYS HA H 15 5.015 4.083 0.932 1
1 61 . 2 1 1 A 15 15 LYS CA C 15 51.724 55.826 -4.102 1
1 62 . 2 1 1 A 15 15 LYS N N 15 130.540 123.048 7.492 1
1 63 . 2 1 1 A 16 16 TYR H H 16 9.038 8.371 0.667 1
1 64 . 2 1 1 A 16 16 TYR HA H 16 4.993 5.253 -0.260 1
1 65 . 2 1 1 A 16 16 TYR CA C 16 52.239 55.220 -2.981 1
1 66 . 2 1 1 A 16 16 TYR N N 16 126.577 118.234 8.343 1
1 67 . 2 1 1 A 17 17 LYS H H 17 8.453 8.648 -0.195 1
1 68 . 2 1 1 A 17 17 LYS HA H 17 4.504 4.473 0.031 1
1 69 . 2 1 1 A 17 17 LYS CA C 17 51.878 54.945 -3.067 1
1 70 . 2 1 1 A 17 17 LYS N N 17 120.816 119.332 1.484 1
1 71 . 2 1 1 A 18 18 ASN H H 18 7.811 8.264 -0.453 1
1 72 . 2 1 1 A 18 18 ASN HA H 18 4.181 4.764 -0.583 1
1 73 . 2 1 1 A 18 18 ASN CA C 18 48.245 52.316 -4.071 1
1 74 . 2 1 1 A 18 18 ASN N N 18 122.171 123.724 -1.553 1
1 75 . 2 1 1 A 19 19 ASP H H 19 8.284 9.102 -0.818 1
1 76 . 2 1 1 A 19 19 ASP HA H 19 4.469 4.529 -0.060 1
1 77 . 2 1 1 A 19 19 ASP CA C 19 54.562 56.226 -1.664 1
1 78 . 2 1 1 A 19 19 ASP N N 19 117.497 119.871 -2.374 1
1 79 . 2 1 1 A 20 20 ALA H H 20 7.482 8.114 -0.632 1
1 80 . 2 1 1 A 20 20 ALA HA H 20 4.471 4.422 0.049 1
1 81 . 2 1 1 A 20 20 ALA CA C 20 48.893 51.254 -2.361 1
1 82 . 2 1 1 A 20 20 ALA CB C 20 16.190 19.518 -3.328 1
1 83 . 2 1 1 A 20 20 ALA N N 20 120.920 119.270 1.650 1
1 84 . 2 1 1 A 21 21 GLY H H 21 8.229 7.935 0.294 1
1 85 . 2 1 1 A 21 21 GLY HA2 H 21 4.173 3.859 0.314 1
1 86 . 2 1 1 A 21 21 GLY HA3 H 21 4.173 3.897 0.276 1
1 87 . 2 1 1 A 21 21 GLY CA C 21 43.316 46.004 -2.688 1
1 88 . 2 1 1 A 21 21 GLY N N 21 107.360 106.704 0.656 1
1 89 . 2 1 1 A 22 22 LYS H H 22 7.721 7.563 0.158 1
1 90 . 2 1 1 A 22 22 LYS HA H 22 4.390 4.249 0.141 1
1 91 . 2 1 1 A 22 22 LYS CA C 22 51.822 55.619 -3.797 1
1 92 . 2 1 1 A 22 22 LYS N N 22 120.479 119.582 0.897 1
1 93 . 2 1 1 A 23 23 ASP H H 23 8.641 8.619 0.022 1
1 94 . 2 1 1 A 23 23 ASP HA H 23 4.365 4.558 -0.193 1
1 95 . 2 1 1 A 23 23 ASP CA C 23 53.040 54.748 -1.708 1
1 96 . 2 1 1 A 23 23 ASP N N 23 126.541 125.253 1.288 1
1 97 . 2 1 1 A 24 24 THR H H 24 8.829 8.345 0.484 1
1 98 . 2 1 1 A 24 24 THR HA H 24 4.098 4.745 -0.647 1
1 99 . 2 1 1 A 24 24 THR CA C 24 59.221 61.143 -1.922 1
1 100 . 2 1 1 A 24 24 THR CB C 24 67.990 71.530 -3.540 1
1 101 . 2 1 1 A 24 24 THR N N 24 122.790 121.842 0.948 1
1 102 . 2 1 1 A 25 25 PHE H H 25 8.328 8.975 -0.647 1
1 103 . 2 1 1 A 25 25 PHE HA H 25 5.474 5.355 0.119 1
1 104 . 2 1 1 A 25 25 PHE CA C 25 53.722 56.074 -2.352 1
1 105 . 2 1 1 A 25 25 PHE N N 25 122.281 124.237 -1.956 1
1 106 . 2 1 1 A 26 26 ILE H H 26 9.138 9.008 0.130 1
1 107 . 2 1 1 A 26 26 ILE HA H 26 4.671 4.946 -0.275 1
1 108 . 2 1 1 A 26 26 ILE CA C 26 57.078 59.699 -2.621 1
1 109 . 2 1 1 A 26 26 ILE N N 26 123.064 122.881 0.183 1
1 110 . 2 1 1 A 27 27 LYS H H 27 8.358 8.478 -0.120 1
1 111 . 2 1 1 A 27 27 LYS HA H 27 4.280 4.625 -0.345 1
1 112 . 2 1 1 A 27 27 LYS CA C 27 55.254 56.936 -1.682 1
1 113 . 2 1 1 A 27 27 LYS N N 27 127.092 127.228 -0.136 1
1 114 . 2 1 1 A 28 28 CYS H H 28 8.521 8.585 -0.064 1
1 115 . 2 1 1 A 28 28 CYS HA H 28 4.653 4.695 -0.042 1
1 116 . 2 1 1 A 28 28 CYS CA C 28 54.049 58.576 -4.527 1
1 117 . 2 1 1 A 28 28 CYS N N 28 119.722 121.898 -2.176 1
1 118 . 2 1 1 A 29 29 PRO HA H 29 4.427 4.795 -0.368 1
1 119 . 2 1 1 A 29 29 PRO CA C 29 60.107 62.483 -2.376 1
1 120 . 2 1 1 A 30 30 LYS H H 30 8.055 8.359 -0.304 1
1 121 . 2 1 1 A 30 30 LYS HA H 30 4.048 4.743 -0.695 1
1 122 . 2 1 1 A 30 30 LYS CA C 30 53.665 55.176 -1.511 1
1 123 . 2 1 1 A 30 30 LYS N N 30 116.627 123.117 -6.490 1
1 124 . 2 1 1 A 31 31 PHE H H 31 6.526 8.616 -2.090 1
1 125 . 2 1 1 A 31 31 PHE HA H 31 4.608 4.795 -0.187 1
1 126 . 2 1 1 A 31 31 PHE CA C 31 54.082 56.432 -2.350 1
1 127 . 2 1 1 A 31 31 PHE N N 31 116.828 123.733 -6.905 1
1 128 . 2 1 1 A 32 32 ASP H H 32 8.809 8.488 0.321 1
1 129 . 2 1 1 A 32 32 ASP HA H 32 4.238 4.320 -0.082 1
1 130 . 2 1 1 A 32 32 ASP CA C 32 54.669 54.959 -0.290 1
1 131 . 2 1 1 A 32 32 ASP N N 32 121.542 120.962 0.580 1
1 132 . 2 1 1 A 33 33 ASN H H 33 8.540 8.164 0.376 1
1 133 . 2 1 1 A 33 33 ASN HA H 33 4.636 4.990 -0.354 1
1 134 . 2 1 1 A 33 33 ASN CA C 33 51.706 54.426 -2.720 1
1 135 . 2 1 1 A 33 33 ASN N N 33 113.646 123.599 -9.953 1
1 136 . 2 1 1 A 34 34 LYS H H 34 7.737 7.552 0.185 1
1 137 . 2 1 1 A 34 34 LYS HA H 34 4.935 4.540 0.395 1
1 138 . 2 1 1 A 34 34 LYS CA C 34 52.839 55.756 -2.917 1
1 139 . 2 1 1 A 34 34 LYS N N 34 117.519 118.503 -0.984 1
1 140 . 2 1 1 A 35 35 LYS H H 35 6.969 8.059 -1.090 1
1 141 . 2 1 1 A 35 35 LYS HA H 35 4.601 4.266 0.335 1
1 142 . 2 1 1 A 35 35 LYS CA C 35 52.439 56.069 -3.630 1
1 143 . 2 1 1 A 35 35 LYS N N 35 116.846 123.642 -6.796 1
1 144 . 2 1 1 A 36 36 CYS H H 36 8.672 8.564 0.108 1
1 145 . 2 1 1 A 36 36 CYS HA H 36 4.781 4.378 0.403 1
1 146 . 2 1 1 A 36 36 CYS CA C 36 49.490 60.011 -10.521 1
1 147 . 2 1 1 A 36 36 CYS N N 36 118.220 121.403 -3.183 1
1 148 . 2 1 1 A 37 37 THR H H 37 10.153 8.573 1.580 1
1 149 . 2 1 1 A 37 37 THR HA H 37 4.287 4.651 -0.364 1
1 150 . 2 1 1 A 37 37 THR CA C 37 60.509 60.693 -0.184 1
1 151 . 2 1 1 A 37 37 THR CB C 37 68.160 68.970 -0.810 1
1 152 . 2 1 1 A 37 37 THR N N 37 121.911 115.648 6.263 1
1 153 . 2 1 1 A 38 38 LYS H H 38 7.346 7.519 -0.173 1
1 154 . 2 1 1 A 38 38 LYS HA H 38 4.235 4.577 -0.342 1
1 155 . 2 1 1 A 38 38 LYS CA C 38 54.060 55.575 -1.515 1
1 156 . 2 1 1 A 38 38 LYS N N 38 122.163 121.121 1.042 1
1 157 . 2 1 1 A 39 39 ASP H H 39 8.827 8.794 0.033 1
1 158 . 2 1 1 A 39 39 ASP HA H 39 4.642 4.450 0.192 1
1 159 . 2 1 1 A 39 39 ASP CA C 39 52.593 55.074 -2.481 1
1 160 . 2 1 1 A 39 39 ASP N N 39 124.992 122.025 2.967 1
1 161 . 2 1 1 A 40 40 ASN H H 40 9.522 9.029 0.493 1
1 162 . 2 1 1 A 40 40 ASN HA H 40 4.338 4.565 -0.227 1
1 163 . 2 1 1 A 40 40 ASN CA C 40 53.076 54.158 -1.082 1
1 164 . 2 1 1 A 40 40 ASN N N 40 114.854 118.956 -4.102 1
1 165 . 2 1 1 A 41 41 ASN H H 41 7.801 7.837 -0.036 1
1 166 . 2 1 1 A 41 41 ASN HA H 41 4.779 4.738 0.041 1
1 167 . 2 1 1 A 41 41 ASN N N 41 120.270 116.011 4.259 1
1 168 . 2 1 1 A 42 42 LYS H H 42 8.529 7.611 0.918 1
1 169 . 2 1 1 A 42 42 LYS HA H 42 4.469 4.658 -0.189 1
1 170 . 2 1 1 A 42 42 LYS CA C 42 54.420 55.929 -1.509 1
1 171 . 2 1 1 A 42 42 LYS N N 42 119.707 114.796 4.911 1
1 172 . 2 1 1 A 43 43 CYS H H 43 7.612 8.165 -0.553 1
1 173 . 2 1 1 A 43 43 CYS HA H 43 5.440 5.115 0.325 1
1 174 . 2 1 1 A 43 43 CYS CA C 43 51.081 57.124 -6.043 1
1 175 . 2 1 1 A 43 43 CYS N N 43 113.820 121.436 -7.616 1
1 176 . 2 1 1 A 44 44 THR H H 44 9.039 8.494 0.545 1
1 177 . 2 1 1 A 44 44 THR HA H 44 5.322 5.154 0.168 1
1 178 . 2 1 1 A 44 44 THR CA C 44 57.334 59.829 -2.495 1
1 179 . 2 1 1 A 44 44 THR CB C 44 69.530 73.173 -3.643 1
1 180 . 2 1 1 A 44 44 THR N N 44 113.118 115.653 -2.535 1
1 181 . 2 1 1 A 45 45 VAL H H 45 8.647 8.492 0.155 1
1 182 . 2 1 1 A 45 45 VAL HA H 45 4.544 4.803 -0.259 1
1 183 . 2 1 1 A 45 45 VAL CA C 45 58.290 60.516 -2.226 1
1 184 . 2 1 1 A 45 45 VAL N N 45 122.102 121.375 0.727 1
1 185 . 2 1 1 A 46 46 ASP H H 46 8.624 8.840 -0.216 1
1 186 . 2 1 1 A 46 46 ASP HA H 46 5.396 5.134 0.262 1
1 187 . 2 1 1 A 46 46 ASP CA C 46 49.354 52.828 -3.474 1
1 188 . 2 1 1 A 46 46 ASP N N 46 126.564 125.810 0.754 1
1 189 . 2 1 1 A 47 47 THR H H 47 9.122 8.459 0.663 1
1 190 . 2 1 1 A 47 47 THR HA H 47 4.274 4.322 -0.048 1
1 191 . 2 1 1 A 47 47 THR CA C 47 60.700 64.180 -3.480 1
1 192 . 2 1 1 A 47 47 THR CB C 47 66.440 69.024 -2.584 1
1 193 . 2 1 1 A 47 47 THR N N 47 114.486 115.330 -0.844 1
1 194 . 2 1 1 A 48 48 TYR H H 48 8.834 8.084 0.750 1
1 195 . 2 1 1 A 48 48 TYR HA H 48 4.476 4.055 0.421 1
1 196 . 2 1 1 A 48 48 TYR CA C 48 57.699 62.019 -4.320 1
1 197 . 2 1 1 A 48 48 TYR N N 48 123.919 124.074 -0.155 1
1 198 . 2 1 1 A 49 49 ASN H H 49 7.563 7.971 -0.408 1
1 199 . 2 1 1 A 49 49 ASN HA H 49 4.569 4.836 -0.267 1
1 200 . 2 1 1 A 49 49 ASN CA C 49 49.441 51.905 -2.464 1
1 201 . 2 1 1 A 49 49 ASN N N 49 113.858 116.305 -2.447 1
1 202 . 2 1 1 A 50 50 ASN H H 50 7.915 8.158 -0.243 1
1 203 . 2 1 1 A 50 50 ASN HA H 50 4.288 4.450 -0.162 1
1 204 . 2 1 1 A 50 50 ASN CA C 50 51.746 54.595 -2.849 1
1 205 . 2 1 1 A 50 50 ASN N N 50 117.382 113.338 4.044 1
1 206 . 2 1 1 A 51 51 ALA H H 51 7.904 7.783 0.121 1
1 207 . 2 1 1 A 51 51 ALA HA H 51 4.520 4.328 0.192 1
1 208 . 2 1 1 A 51 51 ALA CA C 51 49.621 51.611 -1.990 1
1 209 . 2 1 1 A 51 51 ALA CB C 51 17.920 17.996 -0.076 1
1 210 . 2 1 1 A 51 51 ALA N N 51 121.152 120.593 0.559 1
1 211 . 2 1 1 A 52 52 VAL H H 52 8.317 8.212 0.105 1
1 212 . 2 1 1 A 52 52 VAL HA H 52 4.956 4.607 0.349 1
1 213 . 2 1 1 A 52 52 VAL CA C 52 58.076 62.297 -4.221 1
1 214 . 2 1 1 A 52 52 VAL N N 52 125.803 123.062 2.741 1
1 215 . 2 1 1 A 53 53 ASP H H 53 8.668 9.132 -0.464 1
1 216 . 2 1 1 A 53 53 ASP HA H 53 4.944 5.331 -0.387 1
1 217 . 2 1 1 A 53 53 ASP CA C 53 50.581 52.648 -2.067 1
1 218 . 2 1 1 A 53 53 ASP N N 53 126.104 126.441 -0.337 1
1 219 . 2 1 1 A 54 54 CYS H H 54 8.563 8.825 -0.262 1
1 220 . 2 1 1 A 54 54 CYS HA H 54 4.776 4.878 -0.102 1
1 221 . 2 1 1 A 54 54 CYS CA C 54 53.462 58.004 -4.542 1
1 222 . 2 1 1 A 54 54 CYS N N 54 123.741 117.957 5.784 1
1 4 . 3 1 1 A 2 2 LYS H H 2 8.219 8.136 0.083 1
1 5 . 3 1 1 A 2 2 LYS HA H 2 5.318 4.469 0.849 1
1 6 . 3 1 1 A 2 2 LYS CA C 2 52.348 54.572 -2.224 1
1 7 . 3 1 1 A 2 2 LYS N N 2 120.076 116.575 3.501 1
1 8 . 3 1 1 A 3 3 TYR H H 3 8.999 8.508 0.491 1
1 9 . 3 1 1 A 3 3 TYR HA H 3 4.883 5.182 -0.299 1
1 10 . 3 1 1 A 3 3 TYR CA C 3 53.848 56.104 -2.256 1
1 11 . 3 1 1 A 3 3 TYR N N 3 122.800 118.600 4.200 1
1 12 . 3 1 1 A 4 4 THR H H 4 8.885 8.649 0.236 1
1 13 . 3 1 1 A 4 4 THR HA H 4 5.117 5.111 0.006 1
1 14 . 3 1 1 A 4 4 THR CA C 4 58.871 60.546 -1.675 1
1 15 . 3 1 1 A 4 4 THR CB C 4 67.850 72.642 -4.792 1
1 16 . 3 1 1 A 4 4 THR N N 4 117.092 115.236 1.856 1
1 17 . 3 1 1 A 5 5 GLY H H 5 9.159 7.851 1.308 1
1 18 . 3 1 1 A 5 5 GLY HA2 H 5 4.075 4.307 -0.232 1
1 19 . 3 1 1 A 5 5 GLY HA3 H 5 4.075 4.319 -0.244 1
1 20 . 3 1 1 A 5 5 GLY CA C 5 42.597 46.267 -3.670 1
1 21 . 3 1 1 A 5 5 GLY N N 5 115.357 110.626 4.731 1
1 22 . 3 1 1 A 6 6 LYS H H 6 8.495 8.290 0.205 1
1 23 . 3 1 1 A 6 6 LYS HA H 6 5.460 5.200 0.260 1
1 24 . 3 1 1 A 6 6 LYS CA C 6 51.686 54.449 -2.763 1
1 25 . 3 1 1 A 6 6 LYS N N 6 121.225 121.391 -0.166 1
1 26 . 3 1 1 A 7 7 CYS H H 7 9.847 8.555 1.292 1
1 27 . 3 1 1 A 7 7 CYS HA H 7 6.406 5.082 1.324 1
1 28 . 3 1 1 A 7 7 CYS CA C 7 50.542 57.832 -7.290 1
1 29 . 3 1 1 A 7 7 CYS N N 7 122.602 119.604 2.998 1
1 30 . 3 1 1 A 8 8 THR H H 8 8.726 8.257 0.469 1
1 31 . 3 1 1 A 8 8 THR HA H 8 4.793 4.962 -0.169 1
1 32 . 3 1 1 A 8 8 THR CA C 8 57.418 60.803 -3.385 1
1 33 . 3 1 1 A 8 8 THR CB C 8 68.450 71.793 -3.343 1
1 34 . 3 1 1 A 8 8 THR N N 8 113.380 112.610 0.770 1
1 35 . 3 1 1 A 9 9 LYS H H 9 8.993 8.785 0.208 1
1 36 . 3 1 1 A 9 9 LYS HA H 9 3.627 4.087 -0.460 1
1 37 . 3 1 1 A 9 9 LYS CA C 9 57.323 58.816 -1.493 1
1 38 . 3 1 1 A 9 9 LYS N N 9 127.577 123.575 4.002 1
1 39 . 3 1 1 A 10 10 SER H H 10 9.424 7.760 1.664 1
1 40 . 3 1 1 A 10 10 SER HA H 10 4.094 4.426 -0.332 1
1 41 . 3 1 1 A 10 10 SER CA C 10 59.187 59.504 -0.317 1
1 42 . 3 1 1 A 10 10 SER CB C 10 59.200 63.760 -4.560 1
1 43 . 3 1 1 A 10 10 SER N N 10 116.462 111.341 5.121 1
1 44 . 3 1 1 A 11 11 LYS H H 11 7.083 7.646 -0.563 1
1 45 . 3 1 1 A 11 11 LYS HA H 11 4.258 4.798 -0.540 1
1 46 . 3 1 1 A 11 11 LYS CA C 11 53.366 55.808 -2.442 1
1 47 . 3 1 1 A 11 11 LYS N N 11 117.002 120.845 -3.843 1
1 48 . 3 1 1 A 12 12 ASN H H 12 7.681 8.969 -1.288 1
1 49 . 3 1 1 A 12 12 ASN HA H 12 4.646 4.785 -0.139 1
1 50 . 3 1 1 A 12 12 ASN CA C 12 51.004 52.237 -1.233 1
1 51 . 3 1 1 A 12 12 ASN N N 12 120.475 125.093 -4.618 1
1 52 . 3 1 1 A 13 13 GLU H H 13 7.314 8.105 -0.791 1
1 53 . 3 1 1 A 13 13 GLU HA H 13 4.960 5.014 -0.054 1
1 54 . 3 1 1 A 13 13 GLU CA C 13 52.227 54.660 -2.433 1
1 55 . 3 1 1 A 13 13 GLU N N 13 114.791 118.716 -3.925 1
1 56 . 3 1 1 A 14 14 CYS H H 14 9.691 9.191 0.500 1
1 57 . 3 1 1 A 14 14 CYS HA H 14 4.738 4.650 0.088 1
1 58 . 3 1 1 A 14 14 CYS N N 14 123.353 122.468 0.885 1
1 59 . 3 1 1 A 15 15 LYS H H 15 8.714 7.977 0.737 1
1 60 . 3 1 1 A 15 15 LYS HA H 15 5.015 4.315 0.700 1
1 61 . 3 1 1 A 15 15 LYS CA C 15 51.724 55.813 -4.089 1
1 62 . 3 1 1 A 15 15 LYS N N 15 130.540 124.363 6.177 1
1 63 . 3 1 1 A 16 16 TYR H H 16 9.038 8.581 0.457 1
1 64 . 3 1 1 A 16 16 TYR HA H 16 4.993 5.277 -0.284 1
1 65 . 3 1 1 A 16 16 TYR CA C 16 52.239 55.066 -2.827 1
1 66 . 3 1 1 A 16 16 TYR N N 16 126.577 119.381 7.196 1
1 67 . 3 1 1 A 17 17 LYS H H 17 8.453 8.917 -0.464 1
1 68 . 3 1 1 A 17 17 LYS HA H 17 4.504 5.048 -0.544 1
1 69 . 3 1 1 A 17 17 LYS CA C 17 51.878 54.258 -2.380 1
1 70 . 3 1 1 A 17 17 LYS N N 17 120.816 116.829 3.987 1
1 71 . 3 1 1 A 18 18 ASN H H 18 7.811 8.316 -0.505 1
1 72 . 3 1 1 A 18 18 ASN HA H 18 4.181 5.225 -1.044 1
1 73 . 3 1 1 A 18 18 ASN CA C 18 48.245 50.964 -2.719 1
1 74 . 3 1 1 A 18 18 ASN N N 18 122.171 120.189 1.982 1
1 75 . 3 1 1 A 19 19 ASP H H 19 8.284 9.269 -0.985 1
1 76 . 3 1 1 A 19 19 ASP HA H 19 4.469 4.520 -0.051 1
1 77 . 3 1 1 A 19 19 ASP CA C 19 54.562 56.268 -1.706 1
1 78 . 3 1 1 A 19 19 ASP N N 19 117.497 118.597 -1.100 1
1 79 . 3 1 1 A 20 20 ALA H H 20 7.482 8.150 -0.668 1
1 80 . 3 1 1 A 20 20 ALA HA H 20 4.471 4.469 0.002 1
1 81 . 3 1 1 A 20 20 ALA CA C 20 48.893 51.224 -2.331 1
1 82 . 3 1 1 A 20 20 ALA CB C 20 16.190 19.484 -3.294 1
1 83 . 3 1 1 A 20 20 ALA N N 20 120.920 119.184 1.736 1
1 84 . 3 1 1 A 21 21 GLY H H 21 8.229 7.940 0.289 1
1 85 . 3 1 1 A 21 21 GLY HA2 H 21 4.173 4.024 0.149 1
1 86 . 3 1 1 A 21 21 GLY HA3 H 21 4.173 4.030 0.143 1
1 87 . 3 1 1 A 21 21 GLY CA C 21 43.316 45.195 -1.879 1
1 88 . 3 1 1 A 21 21 GLY N N 21 107.360 106.335 1.025 1
1 89 . 3 1 1 A 22 22 LYS H H 22 7.721 7.756 -0.035 1
1 90 . 3 1 1 A 22 22 LYS HA H 22 4.390 4.272 0.118 1
1 91 . 3 1 1 A 22 22 LYS CA C 22 51.822 55.772 -3.950 1
1 92 . 3 1 1 A 22 22 LYS N N 22 120.479 121.035 -0.556 1
1 93 . 3 1 1 A 23 23 ASP H H 23 8.641 8.537 0.104 1
1 94 . 3 1 1 A 23 23 ASP HA H 23 4.365 4.398 -0.033 1
1 95 . 3 1 1 A 23 23 ASP CA C 23 53.040 54.688 -1.648 1
1 96 . 3 1 1 A 23 23 ASP N N 23 126.541 124.851 1.690 1
1 97 . 3 1 1 A 24 24 THR H H 24 8.829 8.279 0.550 1
1 98 . 3 1 1 A 24 24 THR HA H 24 4.098 4.672 -0.574 1
1 99 . 3 1 1 A 24 24 THR CA C 24 59.221 60.697 -1.476 1
1 100 . 3 1 1 A 24 24 THR CB C 24 67.990 71.153 -3.163 1
1 101 . 3 1 1 A 24 24 THR N N 24 122.790 116.007 6.783 1
1 102 . 3 1 1 A 25 25 PHE H H 25 8.328 8.921 -0.593 1
1 103 . 3 1 1 A 25 25 PHE HA H 25 5.474 5.521 -0.047 1
1 104 . 3 1 1 A 25 25 PHE CA C 25 53.722 56.383 -2.661 1
1 105 . 3 1 1 A 25 25 PHE N N 25 122.281 124.658 -2.377 1
1 106 . 3 1 1 A 26 26 ILE H H 26 9.138 8.845 0.293 1
1 107 . 3 1 1 A 26 26 ILE HA H 26 4.671 4.824 -0.153 1
1 108 . 3 1 1 A 26 26 ILE CA C 26 57.078 59.802 -2.724 1
1 109 . 3 1 1 A 26 26 ILE N N 26 123.064 122.787 0.277 1
1 110 . 3 1 1 A 27 27 LYS H H 27 8.358 8.649 -0.291 1
1 111 . 3 1 1 A 27 27 LYS HA H 27 4.280 4.362 -0.082 1
1 112 . 3 1 1 A 27 27 LYS CA C 27 55.254 57.252 -1.998 1
1 113 . 3 1 1 A 27 27 LYS N N 27 127.092 129.971 -2.879 1
1 114 . 3 1 1 A 28 28 CYS H H 28 8.521 8.563 -0.042 1
1 115 . 3 1 1 A 28 28 CYS HA H 28 4.653 4.846 -0.193 1
1 116 . 3 1 1 A 28 28 CYS CA C 28 54.049 57.768 -3.719 1
1 117 . 3 1 1 A 28 28 CYS N N 28 119.722 125.209 -5.487 1
1 118 . 3 1 1 A 29 29 PRO HA H 29 4.427 4.910 -0.483 1
1 119 . 3 1 1 A 29 29 PRO CA C 29 60.107 62.421 -2.314 1
1 120 . 3 1 1 A 30 30 LYS H H 30 8.055 8.456 -0.401 1
1 121 . 3 1 1 A 30 30 LYS HA H 30 4.048 4.518 -0.470 1
1 122 . 3 1 1 A 30 30 LYS CA C 30 53.665 55.180 -1.515 1
1 123 . 3 1 1 A 30 30 LYS N N 30 116.627 123.173 -6.546 1
1 124 . 3 1 1 A 31 31 PHE H H 31 6.526 7.777 -1.251 1
1 125 . 3 1 1 A 31 31 PHE HA H 31 4.608 4.967 -0.359 1
1 126 . 3 1 1 A 31 31 PHE CA C 31 54.082 55.871 -1.789 1
1 127 . 3 1 1 A 31 31 PHE N N 31 116.828 118.703 -1.875 1
1 128 . 3 1 1 A 32 32 ASP H H 32 8.809 9.447 -0.638 1
1 129 . 3 1 1 A 32 32 ASP HA H 32 4.238 4.292 -0.054 1
1 130 . 3 1 1 A 32 32 ASP CA C 32 54.669 55.377 -0.708 1
1 131 . 3 1 1 A 32 32 ASP N N 32 121.542 119.188 2.354 1
1 132 . 3 1 1 A 33 33 ASN H H 33 8.540 8.103 0.437 1
1 133 . 3 1 1 A 33 33 ASN HA H 33 4.636 4.929 -0.293 1
1 134 . 3 1 1 A 33 33 ASN CA C 33 51.706 54.221 -2.515 1
1 135 . 3 1 1 A 33 33 ASN N N 33 113.646 117.137 -3.491 1
1 136 . 3 1 1 A 34 34 LYS H H 34 7.737 7.492 0.245 1
1 137 . 3 1 1 A 34 34 LYS HA H 34 4.935 4.507 0.428 1
1 138 . 3 1 1 A 34 34 LYS CA C 34 52.839 55.799 -2.960 1
1 139 . 3 1 1 A 34 34 LYS N N 34 117.519 118.814 -1.295 1
1 140 . 3 1 1 A 35 35 LYS H H 35 6.969 8.099 -1.130 1
1 141 . 3 1 1 A 35 35 LYS HA H 35 4.601 4.254 0.347 1
1 142 . 3 1 1 A 35 35 LYS CA C 35 52.439 56.041 -3.602 1
1 143 . 3 1 1 A 35 35 LYS N N 35 116.846 123.786 -6.940 1
1 144 . 3 1 1 A 36 36 CYS H H 36 8.672 8.487 0.185 1
1 145 . 3 1 1 A 36 36 CYS HA H 36 4.781 4.501 0.280 1
1 146 . 3 1 1 A 36 36 CYS CA C 36 49.490 59.791 -10.301 1
1 147 . 3 1 1 A 36 36 CYS N N 36 118.220 121.379 -3.159 1
1 148 . 3 1 1 A 37 37 THR H H 37 10.153 8.533 1.620 1
1 149 . 3 1 1 A 37 37 THR HA H 37 4.287 4.662 -0.375 1
1 150 . 3 1 1 A 37 37 THR CA C 37 60.509 60.757 -0.248 1
1 151 . 3 1 1 A 37 37 THR CB C 37 68.160 69.079 -0.919 1
1 152 . 3 1 1 A 37 37 THR N N 37 121.911 112.414 9.497 1
1 153 . 3 1 1 A 38 38 LYS H H 38 7.346 7.501 -0.155 1
1 154 . 3 1 1 A 38 38 LYS HA H 38 4.235 4.502 -0.267 1
1 155 . 3 1 1 A 38 38 LYS CA C 38 54.060 55.512 -1.452 1
1 156 . 3 1 1 A 38 38 LYS N N 38 122.163 119.951 2.212 1
1 157 . 3 1 1 A 39 39 ASP H H 39 8.827 8.750 0.077 1
1 158 . 3 1 1 A 39 39 ASP HA H 39 4.642 4.553 0.089 1
1 159 . 3 1 1 A 39 39 ASP CA C 39 52.593 55.022 -2.429 1
1 160 . 3 1 1 A 39 39 ASP N N 39 124.992 121.845 3.147 1
1 161 . 3 1 1 A 40 40 ASN H H 40 9.522 8.920 0.602 1
1 162 . 3 1 1 A 40 40 ASN HA H 40 4.338 4.597 -0.259 1
1 163 . 3 1 1 A 40 40 ASN CA C 40 53.076 54.165 -1.089 1
1 164 . 3 1 1 A 40 40 ASN N N 40 114.854 116.379 -1.525 1
1 165 . 3 1 1 A 41 41 ASN H H 41 7.801 8.150 -0.349 1
1 166 . 3 1 1 A 41 41 ASN HA H 41 4.779 4.742 0.037 1
1 167 . 3 1 1 A 41 41 ASN N N 41 120.270 116.005 4.265 1
1 168 . 3 1 1 A 42 42 LYS H H 42 8.529 7.617 0.912 1
1 169 . 3 1 1 A 42 42 LYS HA H 42 4.469 4.656 -0.187 1
1 170 . 3 1 1 A 42 42 LYS CA C 42 54.420 55.932 -1.512 1
1 171 . 3 1 1 A 42 42 LYS N N 42 119.707 114.790 4.917 1
1 172 . 3 1 1 A 43 43 CYS H H 43 7.612 8.104 -0.492 1
1 173 . 3 1 1 A 43 43 CYS HA H 43 5.440 5.073 0.367 1
1 174 . 3 1 1 A 43 43 CYS CA C 43 51.081 56.923 -5.842 1
1 175 . 3 1 1 A 43 43 CYS N N 43 113.820 121.687 -7.867 1
1 176 . 3 1 1 A 44 44 THR H H 44 9.039 8.336 0.703 1
1 177 . 3 1 1 A 44 44 THR HA H 44 5.322 5.261 0.061 1
1 178 . 3 1 1 A 44 44 THR CA C 44 57.334 60.011 -2.677 1
1 179 . 3 1 1 A 44 44 THR CB C 44 69.530 72.615 -3.085 1
1 180 . 3 1 1 A 44 44 THR N N 44 113.118 112.343 0.775 1
1 181 . 3 1 1 A 45 45 VAL H H 45 8.647 8.256 0.391 1
1 182 . 3 1 1 A 45 45 VAL HA H 45 4.544 4.800 -0.256 1
1 183 . 3 1 1 A 45 45 VAL CA C 45 58.290 60.522 -2.232 1
1 184 . 3 1 1 A 45 45 VAL N N 45 122.102 120.608 1.494 1
1 185 . 3 1 1 A 46 46 ASP H H 46 8.624 8.845 -0.221 1
1 186 . 3 1 1 A 46 46 ASP HA H 46 5.396 5.236 0.160 1
1 187 . 3 1 1 A 46 46 ASP CA C 46 49.354 52.643 -3.289 1
1 188 . 3 1 1 A 46 46 ASP N N 46 126.564 125.856 0.708 1
1 189 . 3 1 1 A 47 47 THR H H 47 9.122 8.354 0.768 1
1 190 . 3 1 1 A 47 47 THR HA H 47 4.274 4.334 -0.060 1
1 191 . 3 1 1 A 47 47 THR CA C 47 60.700 64.652 -3.952 1
1 192 . 3 1 1 A 47 47 THR CB C 47 66.440 68.883 -2.443 1
1 193 . 3 1 1 A 47 47 THR N N 47 114.486 116.338 -1.852 1
1 194 . 3 1 1 A 48 48 TYR H H 48 8.834 8.065 0.769 1
1 195 . 3 1 1 A 48 48 TYR HA H 48 4.476 4.056 0.420 1
1 196 . 3 1 1 A 48 48 TYR CA C 48 57.699 62.075 -4.376 1
1 197 . 3 1 1 A 48 48 TYR N N 48 123.919 124.081 -0.162 1
1 198 . 3 1 1 A 49 49 ASN H H 49 7.563 7.739 -0.176 1
1 199 . 3 1 1 A 49 49 ASN HA H 49 4.569 4.841 -0.272 1
1 200 . 3 1 1 A 49 49 ASN CA C 49 49.441 51.794 -2.353 1
1 201 . 3 1 1 A 49 49 ASN N N 49 113.858 113.902 -0.044 1
1 202 . 3 1 1 A 50 50 ASN H H 50 7.915 8.131 -0.216 1
1 203 . 3 1 1 A 50 50 ASN HA H 50 4.288 4.427 -0.139 1
1 204 . 3 1 1 A 50 50 ASN CA C 50 51.746 54.140 -2.394 1
1 205 . 3 1 1 A 50 50 ASN N N 50 117.382 116.192 1.190 1
1 206 . 3 1 1 A 51 51 ALA H H 51 7.904 7.803 0.101 1
1 207 . 3 1 1 A 51 51 ALA HA H 51 4.520 4.360 0.160 1
1 208 . 3 1 1 A 51 51 ALA CA C 51 49.621 51.764 -2.143 1
1 209 . 3 1 1 A 51 51 ALA CB C 51 17.920 17.861 0.059 1
1 210 . 3 1 1 A 51 51 ALA N N 51 121.152 121.753 -0.601 1
1 211 . 3 1 1 A 52 52 VAL H H 52 8.317 8.264 0.053 1
1 212 . 3 1 1 A 52 52 VAL HA H 52 4.956 4.478 0.478 1
1 213 . 3 1 1 A 52 52 VAL CA C 52 58.076 62.418 -4.342 1
1 214 . 3 1 1 A 52 52 VAL N N 52 125.803 123.571 2.232 1
1 215 . 3 1 1 A 53 53 ASP H H 53 8.668 9.144 -0.476 1
1 216 . 3 1 1 A 53 53 ASP HA H 53 4.944 5.310 -0.366 1
1 217 . 3 1 1 A 53 53 ASP CA C 53 50.581 52.766 -2.185 1
1 218 . 3 1 1 A 53 53 ASP N N 53 126.104 126.995 -0.891 1
1 219 . 3 1 1 A 54 54 CYS H H 54 8.563 8.680 -0.117 1
1 220 . 3 1 1 A 54 54 CYS HA H 54 4.776 4.812 -0.036 1
1 221 . 3 1 1 A 54 54 CYS CA C 54 53.462 57.685 -4.223 1
1 222 . 3 1 1 A 54 54 CYS N N 54 123.741 118.328 5.413 1
1 4 . 4 1 1 A 2 2 LYS H H 2 8.219 8.200 0.019 1
1 5 . 4 1 1 A 2 2 LYS HA H 2 5.318 5.450 -0.132 1
1 6 . 4 1 1 A 2 2 LYS CA C 2 52.348 54.707 -2.359 1
1 7 . 4 1 1 A 2 2 LYS N N 2 120.076 116.823 3.253 1
1 8 . 4 1 1 A 3 3 TYR H H 3 8.999 8.608 0.391 1
1 9 . 4 1 1 A 3 3 TYR HA H 3 4.883 4.932 -0.049 1
1 10 . 4 1 1 A 3 3 TYR CA C 3 53.848 56.850 -3.002 1
1 11 . 4 1 1 A 3 3 TYR N N 3 122.800 118.891 3.909 1
1 12 . 4 1 1 A 4 4 THR H H 4 8.885 8.836 0.049 1
1 13 . 4 1 1 A 4 4 THR HA H 4 5.117 4.941 0.176 1
1 14 . 4 1 1 A 4 4 THR CA C 4 58.871 60.627 -1.756 1
1 15 . 4 1 1 A 4 4 THR CB C 4 67.850 69.770 -1.920 1
1 16 . 4 1 1 A 4 4 THR N N 4 117.092 118.581 -1.489 1
1 17 . 4 1 1 A 5 5 GLY H H 5 9.159 8.563 0.596 1
1 18 . 4 1 1 A 5 5 GLY HA2 H 5 4.075 4.364 -0.289 1
1 19 . 4 1 1 A 5 5 GLY HA3 H 5 4.075 4.391 -0.316 1
1 20 . 4 1 1 A 5 5 GLY CA C 5 42.597 45.496 -2.899 1
1 21 . 4 1 1 A 5 5 GLY N N 5 115.357 112.566 2.791 1
1 22 . 4 1 1 A 6 6 LYS H H 6 8.495 8.528 -0.033 1
1 23 . 4 1 1 A 6 6 LYS HA H 6 5.460 5.009 0.451 1
1 24 . 4 1 1 A 6 6 LYS CA C 6 51.686 54.203 -2.517 1
1 25 . 4 1 1 A 6 6 LYS N N 6 121.225 120.422 0.803 1
1 26 . 4 1 1 A 7 7 CYS H H 7 9.847 8.886 0.961 1
1 27 . 4 1 1 A 7 7 CYS HA H 7 6.406 5.178 1.228 1
1 28 . 4 1 1 A 7 7 CYS CA C 7 50.542 57.677 -7.135 1
1 29 . 4 1 1 A 7 7 CYS N N 7 122.602 118.750 3.852 1
1 30 . 4 1 1 A 8 8 THR H H 8 8.726 8.272 0.454 1
1 31 . 4 1 1 A 8 8 THR HA H 8 4.793 4.850 -0.057 1
1 32 . 4 1 1 A 8 8 THR CA C 8 57.418 60.095 -2.677 1
1 33 . 4 1 1 A 8 8 THR CB C 8 68.450 70.835 -2.385 1
1 34 . 4 1 1 A 8 8 THR N N 8 113.380 117.505 -4.125 1
1 35 . 4 1 1 A 9 9 LYS H H 9 8.993 8.775 0.218 1
1 36 . 4 1 1 A 9 9 LYS HA H 9 3.627 4.071 -0.444 1
1 37 . 4 1 1 A 9 9 LYS CA C 9 57.323 58.806 -1.483 1
1 38 . 4 1 1 A 9 9 LYS N N 9 127.577 125.141 2.436 1
1 39 . 4 1 1 A 10 10 SER H H 10 9.424 7.716 1.708 1
1 40 . 4 1 1 A 10 10 SER HA H 10 4.094 4.516 -0.422 1
1 41 . 4 1 1 A 10 10 SER CA C 10 59.187 58.470 0.717 1
1 42 . 4 1 1 A 10 10 SER CB C 10 59.200 63.156 -3.956 1
1 43 . 4 1 1 A 10 10 SER N N 10 116.462 110.622 5.840 1
1 44 . 4 1 1 A 11 11 LYS H H 11 7.083 7.684 -0.601 1
1 45 . 4 1 1 A 11 11 LYS HA H 11 4.258 4.602 -0.344 1
1 46 . 4 1 1 A 11 11 LYS CA C 11 53.366 56.059 -2.693 1
1 47 . 4 1 1 A 11 11 LYS N N 11 117.002 121.294 -4.292 1
1 48 . 4 1 1 A 12 12 ASN H H 12 7.681 9.053 -1.372 1
1 49 . 4 1 1 A 12 12 ASN HA H 12 4.646 4.916 -0.270 1
1 50 . 4 1 1 A 12 12 ASN CA C 12 51.004 52.488 -1.484 1
1 51 . 4 1 1 A 12 12 ASN N N 12 120.475 124.568 -4.093 1
1 52 . 4 1 1 A 13 13 GLU H H 13 7.314 8.180 -0.866 1
1 53 . 4 1 1 A 13 13 GLU HA H 13 4.960 5.059 -0.099 1
1 54 . 4 1 1 A 13 13 GLU CA C 13 52.227 54.595 -2.368 1
1 55 . 4 1 1 A 13 13 GLU N N 13 114.791 120.823 -6.032 1
1 56 . 4 1 1 A 14 14 CYS H H 14 9.691 8.887 0.804 1
1 57 . 4 1 1 A 14 14 CYS HA H 14 4.738 4.561 0.177 1
1 58 . 4 1 1 A 14 14 CYS N N 14 123.353 122.874 0.479 1
1 59 . 4 1 1 A 15 15 LYS H H 15 8.714 8.047 0.667 1
1 60 . 4 1 1 A 15 15 LYS HA H 15 5.015 3.905 1.110 1
1 61 . 4 1 1 A 15 15 LYS CA C 15 51.724 55.718 -3.994 1
1 62 . 4 1 1 A 15 15 LYS N N 15 130.540 122.281 8.259 1
1 63 . 4 1 1 A 16 16 TYR H H 16 9.038 7.595 1.443 1
1 64 . 4 1 1 A 16 16 TYR HA H 16 4.993 5.023 -0.030 1
1 65 . 4 1 1 A 16 16 TYR CA C 16 52.239 56.405 -4.166 1
1 66 . 4 1 1 A 16 16 TYR N N 16 126.577 118.663 7.914 1
1 67 . 4 1 1 A 17 17 LYS H H 17 8.453 9.172 -0.719 1
1 68 . 4 1 1 A 17 17 LYS HA H 17 4.504 5.174 -0.670 1
1 69 . 4 1 1 A 17 17 LYS CA C 17 51.878 54.361 -2.483 1
1 70 . 4 1 1 A 17 17 LYS N N 17 120.816 117.286 3.530 1
1 71 . 4 1 1 A 18 18 ASN H H 18 7.811 8.480 -0.669 1
1 72 . 4 1 1 A 18 18 ASN HA H 18 4.181 5.439 -1.258 1
1 73 . 4 1 1 A 18 18 ASN CA C 18 48.245 50.995 -2.750 1
1 74 . 4 1 1 A 18 18 ASN N N 18 122.171 119.176 2.995 1
1 75 . 4 1 1 A 19 19 ASP H H 19 8.284 9.319 -1.035 1
1 76 . 4 1 1 A 19 19 ASP HA H 19 4.469 4.519 -0.050 1
1 77 . 4 1 1 A 19 19 ASP CA C 19 54.562 56.272 -1.710 1
1 78 . 4 1 1 A 19 19 ASP N N 19 117.497 118.333 -0.836 1
1 79 . 4 1 1 A 20 20 ALA H H 20 7.482 8.185 -0.703 1
1 80 . 4 1 1 A 20 20 ALA HA H 20 4.471 4.479 -0.008 1
1 81 . 4 1 1 A 20 20 ALA CA C 20 48.893 51.314 -2.421 1
1 82 . 4 1 1 A 20 20 ALA CB C 20 16.190 19.501 -3.311 1
1 83 . 4 1 1 A 20 20 ALA N N 20 120.920 119.216 1.704 1
1 84 . 4 1 1 A 21 21 GLY H H 21 8.229 7.571 0.658 1
1 85 . 4 1 1 A 21 21 GLY HA2 H 21 4.173 4.062 0.111 1
1 86 . 4 1 1 A 21 21 GLY HA3 H 21 4.173 4.069 0.104 1
1 87 . 4 1 1 A 21 21 GLY CA C 21 43.316 45.185 -1.869 1
1 88 . 4 1 1 A 21 21 GLY N N 21 107.360 106.326 1.034 1
1 89 . 4 1 1 A 22 22 LYS H H 22 7.721 7.665 0.056 1
1 90 . 4 1 1 A 22 22 LYS HA H 22 4.390 4.231 0.159 1
1 91 . 4 1 1 A 22 22 LYS CA C 22 51.822 55.706 -3.884 1
1 92 . 4 1 1 A 22 22 LYS N N 22 120.479 119.923 0.556 1
1 93 . 4 1 1 A 23 23 ASP H H 23 8.641 8.451 0.190 1
1 94 . 4 1 1 A 23 23 ASP HA H 23 4.365 4.407 -0.042 1
1 95 . 4 1 1 A 23 23 ASP CA C 23 53.040 54.852 -1.812 1
1 96 . 4 1 1 A 23 23 ASP N N 23 126.541 124.234 2.307 1
1 97 . 4 1 1 A 24 24 THR H H 24 8.829 8.487 0.342 1
1 98 . 4 1 1 A 24 24 THR HA H 24 4.098 4.745 -0.647 1
1 99 . 4 1 1 A 24 24 THR CA C 24 59.221 60.596 -1.375 1
1 100 . 4 1 1 A 24 24 THR CB C 24 67.990 71.202 -3.212 1
1 101 . 4 1 1 A 24 24 THR N N 24 122.790 118.554 4.236 1
1 102 . 4 1 1 A 25 25 PHE H H 25 8.328 8.968 -0.640 1
1 103 . 4 1 1 A 25 25 PHE HA H 25 5.474 5.556 -0.082 1
1 104 . 4 1 1 A 25 25 PHE CA C 25 53.722 56.121 -2.399 1
1 105 . 4 1 1 A 25 25 PHE N N 25 122.281 124.362 -2.081 1
1 106 . 4 1 1 A 26 26 ILE H H 26 9.138 8.775 0.363 1
1 107 . 4 1 1 A 26 26 ILE HA H 26 4.671 4.578 0.093 1
1 108 . 4 1 1 A 26 26 ILE CA C 26 57.078 60.085 -3.007 1
1 109 . 4 1 1 A 26 26 ILE N N 26 123.064 120.523 2.541 1
1 110 . 4 1 1 A 27 27 LYS H H 27 8.358 8.480 -0.122 1
1 111 . 4 1 1 A 27 27 LYS HA H 27 4.280 4.433 -0.153 1
1 112 . 4 1 1 A 27 27 LYS CA C 27 55.254 56.638 -1.384 1
1 113 . 4 1 1 A 27 27 LYS N N 27 127.092 124.722 2.370 1
1 114 . 4 1 1 A 28 28 CYS H H 28 8.521 8.303 0.218 1
1 115 . 4 1 1 A 28 28 CYS HA H 28 4.653 4.636 0.017 1
1 116 . 4 1 1 A 28 28 CYS CA C 28 54.049 58.878 -4.829 1
1 117 . 4 1 1 A 28 28 CYS N N 28 119.722 123.976 -4.254 1
1 118 . 4 1 1 A 29 29 PRO HA H 29 4.427 4.884 -0.457 1
1 119 . 4 1 1 A 29 29 PRO CA C 29 60.107 62.401 -2.294 1
1 120 . 4 1 1 A 30 30 LYS H H 30 8.055 8.510 -0.455 1
1 121 . 4 1 1 A 30 30 LYS HA H 30 4.048 4.491 -0.443 1
1 122 . 4 1 1 A 30 30 LYS CA C 30 53.665 55.153 -1.488 1
1 123 . 4 1 1 A 30 30 LYS N N 30 116.627 123.100 -6.473 1
1 124 . 4 1 1 A 31 31 PHE H H 31 6.526 7.604 -1.078 1
1 125 . 4 1 1 A 31 31 PHE HA H 31 4.608 4.961 -0.353 1
1 126 . 4 1 1 A 31 31 PHE CA C 31 54.082 56.006 -1.924 1
1 127 . 4 1 1 A 31 31 PHE N N 31 116.828 118.639 -1.811 1
1 128 . 4 1 1 A 32 32 ASP H H 32 8.809 9.433 -0.624 1
1 129 . 4 1 1 A 32 32 ASP HA H 32 4.238 4.285 -0.047 1
1 130 . 4 1 1 A 32 32 ASP CA C 32 54.669 55.346 -0.677 1
1 131 . 4 1 1 A 32 32 ASP N N 32 121.542 119.510 2.032 1
1 132 . 4 1 1 A 33 33 ASN H H 33 8.540 7.983 0.557 1
1 133 . 4 1 1 A 33 33 ASN HA H 33 4.636 4.960 -0.324 1
1 134 . 4 1 1 A 33 33 ASN CA C 33 51.706 54.570 -2.864 1
1 135 . 4 1 1 A 33 33 ASN N N 33 113.646 116.799 -3.153 1
1 136 . 4 1 1 A 34 34 LYS H H 34 7.737 7.651 0.086 1
1 137 . 4 1 1 A 34 34 LYS HA H 34 4.935 4.544 0.391 1
1 138 . 4 1 1 A 34 34 LYS CA C 34 52.839 55.188 -2.349 1
1 139 . 4 1 1 A 34 34 LYS N N 34 117.519 117.239 0.280 1
1 140 . 4 1 1 A 35 35 LYS H H 35 6.969 8.056 -1.087 1
1 141 . 4 1 1 A 35 35 LYS HA H 35 4.601 4.252 0.349 1
1 142 . 4 1 1 A 35 35 LYS CA C 35 52.439 55.903 -3.464 1
1 143 . 4 1 1 A 35 35 LYS N N 35 116.846 121.255 -4.409 1
1 144 . 4 1 1 A 36 36 CYS H H 36 8.672 8.557 0.115 1
1 145 . 4 1 1 A 36 36 CYS HA H 36 4.781 4.385 0.396 1
1 146 . 4 1 1 A 36 36 CYS CA C 36 49.490 60.346 -10.856 1
1 147 . 4 1 1 A 36 36 CYS N N 36 118.220 122.601 -4.381 1
1 148 . 4 1 1 A 37 37 THR H H 37 10.153 8.808 1.345 1
1 149 . 4 1 1 A 37 37 THR HA H 37 4.287 4.660 -0.373 1
1 150 . 4 1 1 A 37 37 THR CA C 37 60.509 60.552 -0.043 1
1 151 . 4 1 1 A 37 37 THR CB C 37 68.160 68.974 -0.814 1
1 152 . 4 1 1 A 37 37 THR N N 37 121.911 116.690 5.221 1
1 153 . 4 1 1 A 38 38 LYS H H 38 7.346 6.906 0.440 1
1 154 . 4 1 1 A 38 38 LYS HA H 38 4.235 4.658 -0.423 1
1 155 . 4 1 1 A 38 38 LYS CA C 38 54.060 55.634 -1.574 1
1 156 . 4 1 1 A 38 38 LYS N N 38 122.163 122.193 -0.030 1
1 157 . 4 1 1 A 39 39 ASP H H 39 8.827 8.780 0.047 1
1 158 . 4 1 1 A 39 39 ASP HA H 39 4.642 4.675 -0.033 1
1 159 . 4 1 1 A 39 39 ASP CA C 39 52.593 54.831 -2.238 1
1 160 . 4 1 1 A 39 39 ASP N N 39 124.992 123.500 1.492 1
1 161 . 4 1 1 A 40 40 ASN H H 40 9.522 9.112 0.410 1
1 162 . 4 1 1 A 40 40 ASN HA H 40 4.338 4.543 -0.205 1
1 163 . 4 1 1 A 40 40 ASN CA C 40 53.076 54.279 -1.203 1
1 164 . 4 1 1 A 40 40 ASN N N 40 114.854 118.722 -3.868 1
1 165 . 4 1 1 A 41 41 ASN H H 41 7.801 8.219 -0.418 1
1 166 . 4 1 1 A 41 41 ASN HA H 41 4.779 4.762 0.017 1
1 167 . 4 1 1 A 41 41 ASN N N 41 120.270 115.691 4.579 1
1 168 . 4 1 1 A 42 42 LYS H H 42 8.529 8.441 0.088 1
1 169 . 4 1 1 A 42 42 LYS HA H 42 4.469 4.960 -0.491 1
1 170 . 4 1 1 A 42 42 LYS CA C 42 54.420 54.894 -0.474 1
1 171 . 4 1 1 A 42 42 LYS N N 42 119.707 120.895 -1.188 1
1 172 . 4 1 1 A 43 43 CYS H H 43 7.612 8.946 -1.334 1
1 173 . 4 1 1 A 43 43 CYS HA H 43 5.440 5.374 0.066 1
1 174 . 4 1 1 A 43 43 CYS CA C 43 51.081 57.453 -6.372 1
1 175 . 4 1 1 A 43 43 CYS N N 43 113.820 126.063 -12.243 1
1 176 . 4 1 1 A 44 44 THR H H 44 9.039 8.473 0.566 1
1 177 . 4 1 1 A 44 44 THR HA H 44 5.322 5.297 0.025 1
1 178 . 4 1 1 A 44 44 THR CA C 44 57.334 60.985 -3.651 1
1 179 . 4 1 1 A 44 44 THR CB C 44 69.530 71.005 -1.475 1
1 180 . 4 1 1 A 44 44 THR N N 44 113.118 113.100 0.018 1
1 181 . 4 1 1 A 45 45 VAL H H 45 8.647 8.072 0.575 1
1 182 . 4 1 1 A 45 45 VAL HA H 45 4.544 4.646 -0.102 1
1 183 . 4 1 1 A 45 45 VAL CA C 45 58.290 60.438 -2.148 1
1 184 . 4 1 1 A 45 45 VAL N N 45 122.102 120.911 1.191 1
1 185 . 4 1 1 A 46 46 ASP H H 46 8.624 8.725 -0.101 1
1 186 . 4 1 1 A 46 46 ASP HA H 46 5.396 5.625 -0.229 1
1 187 . 4 1 1 A 46 46 ASP CA C 46 49.354 52.610 -3.256 1
1 188 . 4 1 1 A 46 46 ASP N N 46 126.564 125.599 0.965 1
1 189 . 4 1 1 A 47 47 THR H H 47 9.122 8.961 0.161 1
1 190 . 4 1 1 A 47 47 THR HA H 47 4.274 4.126 0.148 1
1 191 . 4 1 1 A 47 47 THR CA C 47 60.700 64.706 -4.006 1
1 192 . 4 1 1 A 47 47 THR CB C 47 66.440 68.928 -2.488 1
1 193 . 4 1 1 A 47 47 THR N N 47 114.486 116.912 -2.426 1
1 194 . 4 1 1 A 48 48 TYR H H 48 8.834 8.058 0.776 1
1 195 . 4 1 1 A 48 48 TYR HA H 48 4.476 4.076 0.400 1
1 196 . 4 1 1 A 48 48 TYR CA C 48 57.699 61.819 -4.120 1
1 197 . 4 1 1 A 48 48 TYR N N 48 123.919 124.015 -0.096 1
1 198 . 4 1 1 A 49 49 ASN H H 49 7.563 7.809 -0.246 1
1 199 . 4 1 1 A 49 49 ASN HA H 49 4.569 5.029 -0.460 1
1 200 . 4 1 1 A 49 49 ASN CA C 49 49.441 51.988 -2.547 1
1 201 . 4 1 1 A 49 49 ASN N N 49 113.858 114.106 -0.248 1
1 202 . 4 1 1 A 50 50 ASN H H 50 7.915 7.919 -0.004 1
1 203 . 4 1 1 A 50 50 ASN HA H 50 4.288 4.591 -0.303 1
1 204 . 4 1 1 A 50 50 ASN CA C 50 51.746 53.906 -2.160 1
1 205 . 4 1 1 A 50 50 ASN N N 50 117.382 116.557 0.825 1
1 206 . 4 1 1 A 51 51 ALA H H 51 7.904 7.537 0.367 1
1 207 . 4 1 1 A 51 51 ALA HA H 51 4.520 4.406 0.114 1
1 208 . 4 1 1 A 51 51 ALA CA C 51 49.621 51.333 -1.712 1
1 209 . 4 1 1 A 51 51 ALA CB C 51 17.920 18.465 -0.545 1
1 210 . 4 1 1 A 51 51 ALA N N 51 121.152 120.513 0.639 1
1 211 . 4 1 1 A 52 52 VAL H H 52 8.317 8.100 0.217 1
1 212 . 4 1 1 A 52 52 VAL HA H 52 4.956 4.647 0.309 1
1 213 . 4 1 1 A 52 52 VAL CA C 52 58.076 61.692 -3.616 1
1 214 . 4 1 1 A 52 52 VAL N N 52 125.803 123.240 2.563 1
1 215 . 4 1 1 A 53 53 ASP H H 53 8.668 9.201 -0.533 1
1 216 . 4 1 1 A 53 53 ASP HA H 53 4.944 5.256 -0.312 1
1 217 . 4 1 1 A 53 53 ASP CA C 53 50.581 52.638 -2.057 1
1 218 . 4 1 1 A 53 53 ASP N N 53 126.104 125.610 0.494 1
1 219 . 4 1 1 A 54 54 CYS H H 54 8.563 8.575 -0.012 1
1 220 . 4 1 1 A 54 54 CYS HA H 54 4.776 5.060 -0.284 1
1 221 . 4 1 1 A 54 54 CYS CA C 54 53.462 56.891 -3.429 1
1 222 . 4 1 1 A 54 54 CYS N N 54 123.741 121.949 1.792 1
1 4 . 5 1 1 A 2 2 LYS H H 2 8.219 8.189 0.030 1
1 5 . 5 1 1 A 2 2 LYS HA H 2 5.318 5.355 -0.037 1
1 6 . 5 1 1 A 2 2 LYS CA C 2 52.348 54.660 -2.312 1
1 7 . 5 1 1 A 2 2 LYS N N 2 120.076 116.741 3.335 1
1 8 . 5 1 1 A 3 3 TYR H H 3 8.999 8.606 0.393 1
1 9 . 5 1 1 A 3 3 TYR HA H 3 4.883 4.946 -0.063 1
1 10 . 5 1 1 A 3 3 TYR CA C 3 53.848 56.739 -2.891 1
1 11 . 5 1 1 A 3 3 TYR N N 3 122.800 118.386 4.414 1
1 12 . 5 1 1 A 4 4 THR H H 4 8.885 8.785 0.100 1
1 13 . 5 1 1 A 4 4 THR HA H 4 5.117 5.176 -0.059 1
1 14 . 5 1 1 A 4 4 THR CA C 4 58.871 59.520 -0.649 1
1 15 . 5 1 1 A 4 4 THR CB C 4 67.850 71.026 -3.176 1
1 16 . 5 1 1 A 4 4 THR N N 4 117.092 113.447 3.645 1
1 17 . 5 1 1 A 5 5 GLY H H 5 9.159 8.266 0.893 1
1 18 . 5 1 1 A 5 5 GLY HA2 H 5 4.075 4.205 -0.130 1
1 19 . 5 1 1 A 5 5 GLY HA3 H 5 4.075 4.236 -0.161 1
1 20 . 5 1 1 A 5 5 GLY CA C 5 42.597 45.877 -3.280 1
1 21 . 5 1 1 A 5 5 GLY N N 5 115.357 108.351 7.006 1
1 22 . 5 1 1 A 6 6 LYS H H 6 8.495 8.620 -0.125 1
1 23 . 5 1 1 A 6 6 LYS HA H 6 5.460 4.941 0.519 1
1 24 . 5 1 1 A 6 6 LYS CA C 6 51.686 54.805 -3.119 1
1 25 . 5 1 1 A 6 6 LYS N N 6 121.225 121.656 -0.431 1
1 26 . 5 1 1 A 7 7 CYS H H 7 9.847 8.891 0.956 1
1 27 . 5 1 1 A 7 7 CYS HA H 7 6.406 5.229 1.177 1
1 28 . 5 1 1 A 7 7 CYS CA C 7 50.542 57.522 -6.980 1
1 29 . 5 1 1 A 7 7 CYS N N 7 122.602 118.522 4.080 1
1 30 . 5 1 1 A 8 8 THR H H 8 8.726 8.488 0.238 1
1 31 . 5 1 1 A 8 8 THR HA H 8 4.793 4.985 -0.192 1
1 32 . 5 1 1 A 8 8 THR CA C 8 57.418 59.257 -1.839 1
1 33 . 5 1 1 A 8 8 THR CB C 8 68.450 71.506 -3.056 1
1 34 . 5 1 1 A 8 8 THR N N 8 113.380 112.685 0.695 1
1 35 . 5 1 1 A 9 9 LYS H H 9 8.993 9.058 -0.065 1
1 36 . 5 1 1 A 9 9 LYS HA H 9 3.627 4.049 -0.422 1
1 37 . 5 1 1 A 9 9 LYS CA C 9 57.323 59.234 -1.911 1
1 38 . 5 1 1 A 9 9 LYS N N 9 127.577 122.497 5.080 1
1 39 . 5 1 1 A 10 10 SER H H 10 9.424 8.002 1.422 1
1 40 . 5 1 1 A 10 10 SER HA H 10 4.094 4.532 -0.438 1
1 41 . 5 1 1 A 10 10 SER CA C 10 59.187 58.385 0.802 1
1 42 . 5 1 1 A 10 10 SER CB C 10 59.200 63.291 -4.091 1
1 43 . 5 1 1 A 10 10 SER N N 10 116.462 109.966 6.496 1
1 44 . 5 1 1 A 11 11 LYS H H 11 7.083 7.808 -0.725 1
1 45 . 5 1 1 A 11 11 LYS HA H 11 4.258 4.598 -0.340 1
1 46 . 5 1 1 A 11 11 LYS CA C 11 53.366 55.514 -2.148 1
1 47 . 5 1 1 A 11 11 LYS N N 11 117.002 119.731 -2.729 1
1 48 . 5 1 1 A 12 12 ASN H H 12 7.681 9.150 -1.469 1
1 49 . 5 1 1 A 12 12 ASN HA H 12 4.646 4.996 -0.350 1
1 50 . 5 1 1 A 12 12 ASN CA C 12 51.004 52.338 -1.334 1
1 51 . 5 1 1 A 12 12 ASN N N 12 120.475 124.227 -3.752 1
1 52 . 5 1 1 A 13 13 GLU H H 13 7.314 8.182 -0.868 1
1 53 . 5 1 1 A 13 13 GLU HA H 13 4.960 5.059 -0.099 1
1 54 . 5 1 1 A 13 13 GLU CA C 13 52.227 54.647 -2.420 1
1 55 . 5 1 1 A 13 13 GLU N N 13 114.791 121.246 -6.455 1
1 56 . 5 1 1 A 14 14 CYS H H 14 9.691 8.751 0.940 1
1 57 . 5 1 1 A 14 14 CYS HA H 14 4.738 4.793 -0.055 1
1 58 . 5 1 1 A 14 14 CYS N N 14 123.353 121.711 1.642 1
1 59 . 5 1 1 A 15 15 LYS H H 15 8.714 8.023 0.691 1
1 60 . 5 1 1 A 15 15 LYS HA H 15 5.015 3.995 1.020 1
1 61 . 5 1 1 A 15 15 LYS CA C 15 51.724 55.867 -4.143 1
1 62 . 5 1 1 A 15 15 LYS N N 15 130.540 122.657 7.883 1
1 63 . 5 1 1 A 16 16 TYR H H 16 9.038 7.926 1.112 1
1 64 . 5 1 1 A 16 16 TYR HA H 16 4.993 5.318 -0.325 1
1 65 . 5 1 1 A 16 16 TYR CA C 16 52.239 55.613 -3.374 1
1 66 . 5 1 1 A 16 16 TYR N N 16 126.577 118.154 8.423 1
1 67 . 5 1 1 A 17 17 LYS H H 17 8.453 8.609 -0.156 1
1 68 . 5 1 1 A 17 17 LYS HA H 17 4.504 5.228 -0.724 1
1 69 . 5 1 1 A 17 17 LYS CA C 17 51.878 54.369 -2.491 1
1 70 . 5 1 1 A 17 17 LYS N N 17 120.816 119.045 1.771 1
1 71 . 5 1 1 A 18 18 ASN H H 18 7.811 8.569 -0.758 1
1 72 . 5 1 1 A 18 18 ASN HA H 18 4.181 5.449 -1.268 1
1 73 . 5 1 1 A 18 18 ASN CA C 18 48.245 51.255 -3.010 1
1 74 . 5 1 1 A 18 18 ASN N N 18 122.171 120.840 1.331 1
1 75 . 5 1 1 A 19 19 ASP H H 19 8.284 9.315 -1.031 1
1 76 . 5 1 1 A 19 19 ASP HA H 19 4.469 4.520 -0.051 1
1 77 . 5 1 1 A 19 19 ASP CA C 19 54.562 56.293 -1.731 1
1 78 . 5 1 1 A 19 19 ASP N N 19 117.497 118.579 -1.082 1
1 79 . 5 1 1 A 20 20 ALA H H 20 7.482 8.228 -0.746 1
1 80 . 5 1 1 A 20 20 ALA HA H 20 4.471 4.482 -0.011 1
1 81 . 5 1 1 A 20 20 ALA CA C 20 48.893 51.288 -2.395 1
1 82 . 5 1 1 A 20 20 ALA CB C 20 16.190 19.510 -3.320 1
1 83 . 5 1 1 A 20 20 ALA N N 20 120.920 118.897 2.023 1
1 84 . 5 1 1 A 21 21 GLY H H 21 8.229 7.989 0.240 1
1 85 . 5 1 1 A 21 21 GLY HA2 H 21 4.173 4.054 0.119 1
1 86 . 5 1 1 A 21 21 GLY HA3 H 21 4.173 4.063 0.110 1
1 87 . 5 1 1 A 21 21 GLY CA C 21 43.316 45.218 -1.902 1
1 88 . 5 1 1 A 21 21 GLY N N 21 107.360 106.342 1.018 1
1 89 . 5 1 1 A 22 22 LYS H H 22 7.721 7.766 -0.045 1
1 90 . 5 1 1 A 22 22 LYS HA H 22 4.390 4.302 0.088 1
1 91 . 5 1 1 A 22 22 LYS CA C 22 51.822 55.841 -4.019 1
1 92 . 5 1 1 A 22 22 LYS N N 22 120.479 121.302 -0.823 1
1 93 . 5 1 1 A 23 23 ASP H H 23 8.641 8.482 0.159 1
1 94 . 5 1 1 A 23 23 ASP HA H 23 4.365 4.366 -0.001 1
1 95 . 5 1 1 A 23 23 ASP CA C 23 53.040 54.800 -1.760 1
1 96 . 5 1 1 A 23 23 ASP N N 23 126.541 125.763 0.778 1
1 97 . 5 1 1 A 24 24 THR H H 24 8.829 8.392 0.437 1
1 98 . 5 1 1 A 24 24 THR HA H 24 4.098 4.699 -0.601 1
1 99 . 5 1 1 A 24 24 THR CA C 24 59.221 60.709 -1.488 1
1 100 . 5 1 1 A 24 24 THR CB C 24 67.990 71.021 -3.031 1
1 101 . 5 1 1 A 24 24 THR N N 24 122.790 118.606 4.184 1
1 102 . 5 1 1 A 25 25 PHE H H 25 8.328 8.916 -0.588 1
1 103 . 5 1 1 A 25 25 PHE HA H 25 5.474 5.294 0.180 1
1 104 . 5 1 1 A 25 25 PHE CA C 25 53.722 56.123 -2.401 1
1 105 . 5 1 1 A 25 25 PHE N N 25 122.281 124.582 -2.301 1
1 106 . 5 1 1 A 26 26 ILE H H 26 9.138 8.807 0.331 1
1 107 . 5 1 1 A 26 26 ILE HA H 26 4.671 4.619 0.052 1
1 108 . 5 1 1 A 26 26 ILE CA C 26 57.078 59.928 -2.850 1
1 109 . 5 1 1 A 26 26 ILE N N 26 123.064 122.339 0.725 1
1 110 . 5 1 1 A 27 27 LYS H H 27 8.358 8.439 -0.081 1
1 111 . 5 1 1 A 27 27 LYS HA H 27 4.280 4.186 0.094 1
1 112 . 5 1 1 A 27 27 LYS CA C 27 55.254 56.700 -1.446 1
1 113 . 5 1 1 A 27 27 LYS N N 27 127.092 124.706 2.386 1
1 114 . 5 1 1 A 28 28 CYS H H 28 8.521 8.326 0.195 1
1 115 . 5 1 1 A 28 28 CYS HA H 28 4.653 4.770 -0.117 1
1 116 . 5 1 1 A 28 28 CYS CA C 28 54.049 58.257 -4.208 1
1 117 . 5 1 1 A 28 28 CYS N N 28 119.722 122.815 -3.093 1
1 118 . 5 1 1 A 29 29 PRO HA H 29 4.427 4.804 -0.377 1
1 119 . 5 1 1 A 29 29 PRO CA C 29 60.107 62.423 -2.316 1
1 120 . 5 1 1 A 30 30 LYS H H 30 8.055 8.564 -0.509 1
1 121 . 5 1 1 A 30 30 LYS HA H 30 4.048 4.619 -0.571 1
1 122 . 5 1 1 A 30 30 LYS CA C 30 53.665 55.259 -1.594 1
1 123 . 5 1 1 A 30 30 LYS N N 30 116.627 123.462 -6.835 1
1 124 . 5 1 1 A 31 31 PHE H H 31 6.526 7.890 -1.364 1
1 125 . 5 1 1 A 31 31 PHE HA H 31 4.608 4.538 0.070 1
1 126 . 5 1 1 A 31 31 PHE CA C 31 54.082 57.569 -3.487 1
1 127 . 5 1 1 A 31 31 PHE N N 31 116.828 118.171 -1.343 1
1 128 . 5 1 1 A 32 32 ASP H H 32 8.809 9.100 -0.291 1
1 129 . 5 1 1 A 32 32 ASP HA H 32 4.238 4.277 -0.039 1
1 130 . 5 1 1 A 32 32 ASP CA C 32 54.669 55.326 -0.657 1
1 131 . 5 1 1 A 32 32 ASP N N 32 121.542 118.652 2.890 1
1 132 . 5 1 1 A 33 33 ASN H H 33 8.540 8.092 0.448 1
1 133 . 5 1 1 A 33 33 ASN HA H 33 4.636 4.918 -0.282 1
1 134 . 5 1 1 A 33 33 ASN CA C 33 51.706 54.206 -2.500 1
1 135 . 5 1 1 A 33 33 ASN N N 33 113.646 116.743 -3.097 1
1 136 . 5 1 1 A 34 34 LYS H H 34 7.737 7.224 0.513 1
1 137 . 5 1 1 A 34 34 LYS HA H 34 4.935 4.493 0.442 1
1 138 . 5 1 1 A 34 34 LYS CA C 34 52.839 55.564 -2.725 1
1 139 . 5 1 1 A 34 34 LYS N N 34 117.519 118.769 -1.250 1
1 140 . 5 1 1 A 35 35 LYS H H 35 6.969 8.019 -1.050 1
1 141 . 5 1 1 A 35 35 LYS HA H 35 4.601 4.475 0.126 1
1 142 . 5 1 1 A 35 35 LYS CA C 35 52.439 55.583 -3.144 1
1 143 . 5 1 1 A 35 35 LYS N N 35 116.846 123.502 -6.656 1
1 144 . 5 1 1 A 36 36 CYS H H 36 8.672 8.178 0.494 1
1 145 . 5 1 1 A 36 36 CYS HA H 36 4.781 4.488 0.293 1
1 146 . 5 1 1 A 36 36 CYS CA C 36 49.490 59.529 -10.039 1
1 147 . 5 1 1 A 36 36 CYS N N 36 118.220 118.061 0.159 1
1 148 . 5 1 1 A 37 37 THR H H 37 10.153 8.573 1.580 1
1 149 . 5 1 1 A 37 37 THR HA H 37 4.287 4.662 -0.375 1
1 150 . 5 1 1 A 37 37 THR CA C 37 60.509 60.767 -0.258 1
1 151 . 5 1 1 A 37 37 THR CB C 37 68.160 69.043 -0.883 1
1 152 . 5 1 1 A 37 37 THR N N 37 121.911 116.438 5.473 1
1 153 . 5 1 1 A 38 38 LYS H H 38 7.346 7.584 -0.238 1
1 154 . 5 1 1 A 38 38 LYS HA H 38 4.235 4.643 -0.408 1
1 155 . 5 1 1 A 38 38 LYS CA C 38 54.060 55.506 -1.446 1
1 156 . 5 1 1 A 38 38 LYS N N 38 122.163 118.078 4.085 1
1 157 . 5 1 1 A 39 39 ASP H H 39 8.827 8.797 0.030 1
1 158 . 5 1 1 A 39 39 ASP HA H 39 4.642 4.302 0.340 1
1 159 . 5 1 1 A 39 39 ASP CA C 39 52.593 55.692 -3.099 1
1 160 . 5 1 1 A 39 39 ASP N N 39 124.992 122.960 2.032 1
1 161 . 5 1 1 A 40 40 ASN H H 40 9.522 8.844 0.678 1
1 162 . 5 1 1 A 40 40 ASN HA H 40 4.338 4.531 -0.193 1
1 163 . 5 1 1 A 40 40 ASN CA C 40 53.076 54.074 -0.998 1
1 164 . 5 1 1 A 40 40 ASN N N 40 114.854 119.083 -4.229 1
1 165 . 5 1 1 A 41 41 ASN H H 41 7.801 8.516 -0.715 1
1 166 . 5 1 1 A 41 41 ASN HA H 41 4.779 4.834 -0.055 1
1 167 . 5 1 1 A 41 41 ASN N N 41 120.270 116.130 4.140 1
1 168 . 5 1 1 A 42 42 LYS H H 42 8.529 8.463 0.066 1
1 169 . 5 1 1 A 42 42 LYS HA H 42 4.469 5.113 -0.644 1
1 170 . 5 1 1 A 42 42 LYS CA C 42 54.420 54.729 -0.309 1
1 171 . 5 1 1 A 42 42 LYS N N 42 119.707 120.338 -0.631 1
1 172 . 5 1 1 A 43 43 CYS H H 43 7.612 8.413 -0.801 1
1 173 . 5 1 1 A 43 43 CYS HA H 43 5.440 5.173 0.267 1
1 174 . 5 1 1 A 43 43 CYS CA C 43 51.081 57.565 -6.484 1
1 175 . 5 1 1 A 43 43 CYS N N 43 113.820 123.506 -9.686 1
1 176 . 5 1 1 A 44 44 THR H H 44 9.039 8.545 0.494 1
1 177 . 5 1 1 A 44 44 THR HA H 44 5.322 5.155 0.167 1
1 178 . 5 1 1 A 44 44 THR CA C 44 57.334 61.011 -3.677 1
1 179 . 5 1 1 A 44 44 THR CB C 44 69.530 71.014 -1.484 1
1 180 . 5 1 1 A 44 44 THR N N 44 113.118 113.047 0.071 1
1 181 . 5 1 1 A 45 45 VAL H H 45 8.647 8.092 0.555 1
1 182 . 5 1 1 A 45 45 VAL HA H 45 4.544 4.801 -0.257 1
1 183 . 5 1 1 A 45 45 VAL CA C 45 58.290 60.393 -2.103 1
1 184 . 5 1 1 A 45 45 VAL N N 45 122.102 120.714 1.388 1
1 185 . 5 1 1 A 46 46 ASP H H 46 8.624 8.661 -0.037 1
1 186 . 5 1 1 A 46 46 ASP HA H 46 5.396 5.414 -0.018 1
1 187 . 5 1 1 A 46 46 ASP CA C 46 49.354 52.529 -3.175 1
1 188 . 5 1 1 A 46 46 ASP N N 46 126.564 125.408 1.156 1
1 189 . 5 1 1 A 47 47 THR H H 47 9.122 8.979 0.143 1
1 190 . 5 1 1 A 47 47 THR HA H 47 4.274 4.270 0.004 1
1 191 . 5 1 1 A 47 47 THR CA C 47 60.700 64.286 -3.586 1
1 192 . 5 1 1 A 47 47 THR CB C 47 66.440 68.987 -2.547 1
1 193 . 5 1 1 A 47 47 THR N N 47 114.486 117.552 -3.066 1
1 194 . 5 1 1 A 48 48 TYR H H 48 8.834 8.116 0.718 1
1 195 . 5 1 1 A 48 48 TYR HA H 48 4.476 4.066 0.410 1
1 196 . 5 1 1 A 48 48 TYR CA C 48 57.699 62.004 -4.305 1
1 197 . 5 1 1 A 48 48 TYR N N 48 123.919 124.101 -0.182 1
1 198 . 5 1 1 A 49 49 ASN H H 49 7.563 7.735 -0.172 1
1 199 . 5 1 1 A 49 49 ASN HA H 49 4.569 4.815 -0.246 1
1 200 . 5 1 1 A 49 49 ASN CA C 49 49.441 51.764 -2.323 1
1 201 . 5 1 1 A 49 49 ASN N N 49 113.858 113.889 -0.031 1
1 202 . 5 1 1 A 50 50 ASN H H 50 7.915 8.167 -0.252 1
1 203 . 5 1 1 A 50 50 ASN HA H 50 4.288 4.609 -0.321 1
1 204 . 5 1 1 A 50 50 ASN CA C 50 51.746 53.920 -2.174 1
1 205 . 5 1 1 A 50 50 ASN N N 50 117.382 116.424 0.958 1
1 206 . 5 1 1 A 51 51 ALA H H 51 7.904 7.774 0.130 1
1 207 . 5 1 1 A 51 51 ALA HA H 51 4.520 4.385 0.135 1
1 208 . 5 1 1 A 51 51 ALA CA C 51 49.621 51.739 -2.118 1
1 209 . 5 1 1 A 51 51 ALA CB C 51 17.920 18.419 -0.499 1
1 210 . 5 1 1 A 51 51 ALA N N 51 121.152 120.516 0.636 1
1 211 . 5 1 1 A 52 52 VAL H H 52 8.317 8.089 0.228 1
1 212 . 5 1 1 A 52 52 VAL HA H 52 4.956 4.270 0.686 1
1 213 . 5 1 1 A 52 52 VAL CA C 52 58.076 62.697 -4.621 1
1 214 . 5 1 1 A 52 52 VAL N N 52 125.803 123.788 2.015 1
1 215 . 5 1 1 A 53 53 ASP H H 53 8.668 8.927 -0.259 1
1 216 . 5 1 1 A 53 53 ASP HA H 53 4.944 4.645 0.299 1
1 217 . 5 1 1 A 53 53 ASP CA C 53 50.581 52.922 -2.341 1
1 218 . 5 1 1 A 53 53 ASP N N 53 126.104 128.493 -2.389 1
1 219 . 5 1 1 A 54 54 CYS H H 54 8.563 8.620 -0.057 1
1 220 . 5 1 1 A 54 54 CYS HA H 54 4.776 4.909 -0.133 1
1 221 . 5 1 1 A 54 54 CYS CA C 54 53.462 57.127 -3.665 1
1 222 . 5 1 1 A 54 54 CYS N N 54 123.741 117.926 5.815 1
1 4 . 6 1 1 A 2 2 LYS H H 2 8.219 8.357 -0.138 1
1 5 . 6 1 1 A 2 2 LYS HA H 2 5.318 4.289 1.029 1
1 6 . 6 1 1 A 2 2 LYS CA C 2 52.348 55.565 -3.217 1
1 7 . 6 1 1 A 2 2 LYS N N 2 120.076 118.226 1.850 1
1 8 . 6 1 1 A 3 3 TYR H H 3 8.999 8.775 0.224 1
1 9 . 6 1 1 A 3 3 TYR HA H 3 4.883 5.223 -0.340 1
1 10 . 6 1 1 A 3 3 TYR CA C 3 53.848 56.623 -2.775 1
1 11 . 6 1 1 A 3 3 TYR N N 3 122.800 121.820 0.980 1
1 12 . 6 1 1 A 4 4 THR H H 4 8.885 8.778 0.107 1
1 13 . 6 1 1 A 4 4 THR HA H 4 5.117 5.364 -0.247 1
1 14 . 6 1 1 A 4 4 THR CA C 4 58.871 60.065 -1.194 1
1 15 . 6 1 1 A 4 4 THR CB C 4 67.850 72.583 -4.733 1
1 16 . 6 1 1 A 4 4 THR N N 4 117.092 115.786 1.306 1
1 17 . 6 1 1 A 5 5 GLY H H 5 9.159 8.279 0.880 1
1 18 . 6 1 1 A 5 5 GLY HA2 H 5 4.075 4.325 -0.250 1
1 19 . 6 1 1 A 5 5 GLY HA3 H 5 4.075 4.345 -0.270 1
1 20 . 6 1 1 A 5 5 GLY CA C 5 42.597 46.282 -3.685 1
1 21 . 6 1 1 A 5 5 GLY N N 5 115.357 110.376 4.981 1
1 22 . 6 1 1 A 6 6 LYS H H 6 8.495 8.386 0.109 1
1 23 . 6 1 1 A 6 6 LYS HA H 6 5.460 5.265 0.195 1
1 24 . 6 1 1 A 6 6 LYS CA C 6 51.686 54.501 -2.815 1
1 25 . 6 1 1 A 6 6 LYS N N 6 121.225 121.123 0.102 1
1 26 . 6 1 1 A 7 7 CYS H H 7 9.847 8.727 1.120 1
1 27 . 6 1 1 A 7 7 CYS HA H 7 6.406 5.177 1.229 1
1 28 . 6 1 1 A 7 7 CYS CA C 7 50.542 57.689 -7.147 1
1 29 . 6 1 1 A 7 7 CYS N N 7 122.602 118.529 4.073 1
1 30 . 6 1 1 A 8 8 THR H H 8 8.726 7.941 0.785 1
1 31 . 6 1 1 A 8 8 THR HA H 8 4.793 5.030 -0.237 1
1 32 . 6 1 1 A 8 8 THR CA C 8 57.418 59.640 -2.222 1
1 33 . 6 1 1 A 8 8 THR CB C 8 68.450 71.292 -2.842 1
1 34 . 6 1 1 A 8 8 THR N N 8 113.380 112.365 1.015 1
1 35 . 6 1 1 A 9 9 LYS H H 9 8.993 8.794 0.199 1
1 36 . 6 1 1 A 9 9 LYS HA H 9 3.627 4.062 -0.435 1
1 37 . 6 1 1 A 9 9 LYS CA C 9 57.323 58.839 -1.516 1
1 38 . 6 1 1 A 9 9 LYS N N 9 127.577 123.167 4.410 1
1 39 . 6 1 1 A 10 10 SER H H 10 9.424 7.756 1.668 1
1 40 . 6 1 1 A 10 10 SER HA H 10 4.094 4.373 -0.279 1
1 41 . 6 1 1 A 10 10 SER CA C 10 59.187 60.198 -1.011 1
1 42 . 6 1 1 A 10 10 SER CB C 10 59.200 63.531 -4.331 1
1 43 . 6 1 1 A 10 10 SER N N 10 116.462 112.282 4.180 1
1 44 . 6 1 1 A 11 11 LYS H H 11 7.083 7.672 -0.589 1
1 45 . 6 1 1 A 11 11 LYS HA H 11 4.258 4.773 -0.515 1
1 46 . 6 1 1 A 11 11 LYS CA C 11 53.366 55.141 -1.775 1
1 47 . 6 1 1 A 11 11 LYS N N 11 117.002 120.919 -3.917 1
1 48 . 6 1 1 A 12 12 ASN H H 12 7.681 8.928 -1.247 1
1 49 . 6 1 1 A 12 12 ASN HA H 12 4.646 4.832 -0.186 1
1 50 . 6 1 1 A 12 12 ASN CA C 12 51.004 52.469 -1.465 1
1 51 . 6 1 1 A 12 12 ASN N N 12 120.475 126.136 -5.661 1
1 52 . 6 1 1 A 13 13 GLU H H 13 7.314 8.286 -0.972 1
1 53 . 6 1 1 A 13 13 GLU HA H 13 4.960 5.050 -0.090 1
1 54 . 6 1 1 A 13 13 GLU CA C 13 52.227 54.591 -2.364 1
1 55 . 6 1 1 A 13 13 GLU N N 13 114.791 121.089 -6.298 1
1 56 . 6 1 1 A 14 14 CYS H H 14 9.691 8.884 0.807 1
1 57 . 6 1 1 A 14 14 CYS HA H 14 4.738 4.526 0.212 1
1 58 . 6 1 1 A 14 14 CYS N N 14 123.353 122.618 0.735 1
1 59 . 6 1 1 A 15 15 LYS H H 15 8.714 8.122 0.592 1
1 60 . 6 1 1 A 15 15 LYS HA H 15 5.015 4.331 0.684 1
1 61 . 6 1 1 A 15 15 LYS CA C 15 51.724 55.749 -4.025 1
1 62 . 6 1 1 A 15 15 LYS N N 15 130.540 122.958 7.582 1
1 63 . 6 1 1 A 16 16 TYR H H 16 9.038 7.863 1.175 1
1 64 . 6 1 1 A 16 16 TYR HA H 16 4.993 4.844 0.149 1
1 65 . 6 1 1 A 16 16 TYR CA C 16 52.239 56.768 -4.529 1
1 66 . 6 1 1 A 16 16 TYR N N 16 126.577 118.648 7.929 1
1 67 . 6 1 1 A 17 17 LYS H H 17 8.453 9.000 -0.547 1
1 68 . 6 1 1 A 17 17 LYS HA H 17 4.504 5.094 -0.590 1
1 69 . 6 1 1 A 17 17 LYS CA C 17 51.878 54.155 -2.277 1
1 70 . 6 1 1 A 17 17 LYS N N 17 120.816 117.320 3.496 1
1 71 . 6 1 1 A 18 18 ASN H H 18 7.811 8.651 -0.840 1
1 72 . 6 1 1 A 18 18 ASN HA H 18 4.181 4.845 -0.664 1
1 73 . 6 1 1 A 18 18 ASN CA C 18 48.245 50.870 -2.625 1
1 74 . 6 1 1 A 18 18 ASN N N 18 122.171 119.012 3.159 1
1 75 . 6 1 1 A 19 19 ASP H H 19 8.284 9.158 -0.874 1
1 76 . 6 1 1 A 19 19 ASP HA H 19 4.469 4.474 -0.005 1
1 77 . 6 1 1 A 19 19 ASP CA C 19 54.562 56.188 -1.626 1
1 78 . 6 1 1 A 19 19 ASP N N 19 117.497 118.462 -0.965 1
1 79 . 6 1 1 A 20 20 ALA H H 20 7.482 8.169 -0.687 1
1 80 . 6 1 1 A 20 20 ALA HA H 20 4.471 4.465 0.006 1
1 81 . 6 1 1 A 20 20 ALA CA C 20 48.893 51.276 -2.383 1
1 82 . 6 1 1 A 20 20 ALA CB C 20 16.190 19.382 -3.192 1
1 83 . 6 1 1 A 20 20 ALA N N 20 120.920 119.228 1.692 1
1 84 . 6 1 1 A 21 21 GLY H H 21 8.229 7.448 0.781 1
1 85 . 6 1 1 A 21 21 GLY HA2 H 21 4.173 4.032 0.141 1
1 86 . 6 1 1 A 21 21 GLY HA3 H 21 4.173 4.041 0.132 1
1 87 . 6 1 1 A 21 21 GLY CA C 21 43.316 45.021 -1.705 1
1 88 . 6 1 1 A 21 21 GLY N N 21 107.360 105.953 1.407 1
1 89 . 6 1 1 A 22 22 LYS H H 22 7.721 7.598 0.123 1
1 90 . 6 1 1 A 22 22 LYS HA H 22 4.390 4.258 0.132 1
1 91 . 6 1 1 A 22 22 LYS CA C 22 51.822 55.438 -3.616 1
1 92 . 6 1 1 A 22 22 LYS N N 22 120.479 119.620 0.859 1
1 93 . 6 1 1 A 23 23 ASP H H 23 8.641 8.450 0.191 1
1 94 . 6 1 1 A 23 23 ASP HA H 23 4.365 4.296 0.069 1
1 95 . 6 1 1 A 23 23 ASP CA C 23 53.040 54.856 -1.816 1
1 96 . 6 1 1 A 23 23 ASP N N 23 126.541 123.719 2.822 1
1 97 . 6 1 1 A 24 24 THR H H 24 8.829 8.004 0.825 1
1 98 . 6 1 1 A 24 24 THR HA H 24 4.098 4.492 -0.394 1
1 99 . 6 1 1 A 24 24 THR CA C 24 59.221 60.176 -0.955 1
1 100 . 6 1 1 A 24 24 THR CB C 24 67.990 71.111 -3.121 1
1 101 . 6 1 1 A 24 24 THR N N 24 122.790 116.510 6.280 1
1 102 . 6 1 1 A 25 25 PHE H H 25 8.328 8.795 -0.467 1
1 103 . 6 1 1 A 25 25 PHE HA H 25 5.474 5.590 -0.116 1
1 104 . 6 1 1 A 25 25 PHE CA C 25 53.722 55.889 -2.167 1
1 105 . 6 1 1 A 25 25 PHE N N 25 122.281 122.749 -0.468 1
1 106 . 6 1 1 A 26 26 ILE H H 26 9.138 8.780 0.358 1
1 107 . 6 1 1 A 26 26 ILE HA H 26 4.671 4.467 0.204 1
1 108 . 6 1 1 A 26 26 ILE CA C 26 57.078 60.339 -3.261 1
1 109 . 6 1 1 A 26 26 ILE N N 26 123.064 122.426 0.638 1
1 110 . 6 1 1 A 27 27 LYS H H 27 8.358 8.035 0.323 1
1 111 . 6 1 1 A 27 27 LYS HA H 27 4.280 4.219 0.061 1
1 112 . 6 1 1 A 27 27 LYS CA C 27 55.254 58.651 -3.397 1
1 113 . 6 1 1 A 27 27 LYS N N 27 127.092 119.386 7.706 1
1 114 . 6 1 1 A 28 28 CYS H H 28 8.521 8.245 0.276 1
1 115 . 6 1 1 A 28 28 CYS HA H 28 4.653 5.027 -0.374 1
1 116 . 6 1 1 A 28 28 CYS CA C 28 54.049 56.849 -2.800 1
1 117 . 6 1 1 A 28 28 CYS N N 28 119.722 119.030 0.692 1
1 118 . 6 1 1 A 29 29 PRO HA H 29 4.427 4.792 -0.365 1
1 119 . 6 1 1 A 29 29 PRO CA C 29 60.107 62.399 -2.292 1
1 120 . 6 1 1 A 30 30 LYS H H 30 8.055 8.564 -0.509 1
1 121 . 6 1 1 A 30 30 LYS HA H 30 4.048 4.786 -0.738 1
1 122 . 6 1 1 A 30 30 LYS CA C 30 53.665 55.219 -1.554 1
1 123 . 6 1 1 A 30 30 LYS N N 30 116.627 122.552 -5.925 1
1 124 . 6 1 1 A 31 31 PHE H H 31 6.526 8.743 -2.217 1
1 125 . 6 1 1 A 31 31 PHE HA H 31 4.608 4.766 -0.158 1
1 126 . 6 1 1 A 31 31 PHE CA C 31 54.082 56.625 -2.543 1
1 127 . 6 1 1 A 31 31 PHE N N 31 116.828 124.184 -7.356 1
1 128 . 6 1 1 A 32 32 ASP H H 32 8.809 8.673 0.136 1
1 129 . 6 1 1 A 32 32 ASP HA H 32 4.238 4.274 -0.036 1
1 130 . 6 1 1 A 32 32 ASP CA C 32 54.669 55.054 -0.385 1
1 131 . 6 1 1 A 32 32 ASP N N 32 121.542 124.352 -2.810 1
1 132 . 6 1 1 A 33 33 ASN H H 33 8.540 8.184 0.356 1
1 133 . 6 1 1 A 33 33 ASN HA H 33 4.636 4.981 -0.345 1
1 134 . 6 1 1 A 33 33 ASN CA C 33 51.706 54.303 -2.597 1
1 135 . 6 1 1 A 33 33 ASN N N 33 113.646 120.338 -6.692 1
1 136 . 6 1 1 A 34 34 LYS H H 34 7.737 7.557 0.180 1
1 137 . 6 1 1 A 34 34 LYS HA H 34 4.935 4.496 0.439 1
1 138 . 6 1 1 A 34 34 LYS CA C 34 52.839 55.813 -2.974 1
1 139 . 6 1 1 A 34 34 LYS N N 34 117.519 118.863 -1.344 1
1 140 . 6 1 1 A 35 35 LYS H H 35 6.969 8.435 -1.466 1
1 141 . 6 1 1 A 35 35 LYS HA H 35 4.601 4.296 0.305 1
1 142 . 6 1 1 A 35 35 LYS CA C 35 52.439 55.811 -3.372 1
1 143 . 6 1 1 A 35 35 LYS N N 35 116.846 124.561 -7.715 1
1 144 . 6 1 1 A 36 36 CYS H H 36 8.672 8.528 0.144 1
1 145 . 6 1 1 A 36 36 CYS HA H 36 4.781 4.352 0.429 1
1 146 . 6 1 1 A 36 36 CYS CA C 36 49.490 60.233 -10.743 1
1 147 . 6 1 1 A 36 36 CYS N N 36 118.220 120.920 -2.700 1
1 148 . 6 1 1 A 37 37 THR H H 37 10.153 8.897 1.256 1
1 149 . 6 1 1 A 37 37 THR HA H 37 4.287 4.668 -0.381 1
1 150 . 6 1 1 A 37 37 THR CA C 37 60.509 60.735 -0.226 1
1 151 . 6 1 1 A 37 37 THR CB C 37 68.160 69.034 -0.874 1
1 152 . 6 1 1 A 37 37 THR N N 37 121.911 116.824 5.087 1
1 153 . 6 1 1 A 38 38 LYS H H 38 7.346 7.447 -0.101 1
1 154 . 6 1 1 A 38 38 LYS HA H 38 4.235 4.666 -0.431 1
1 155 . 6 1 1 A 38 38 LYS CA C 38 54.060 55.838 -1.778 1
1 156 . 6 1 1 A 38 38 LYS N N 38 122.163 122.447 -0.284 1
1 157 . 6 1 1 A 39 39 ASP H H 39 8.827 8.691 0.136 1
1 158 . 6 1 1 A 39 39 ASP HA H 39 4.642 4.415 0.227 1
1 159 . 6 1 1 A 39 39 ASP CA C 39 52.593 54.849 -2.256 1
1 160 . 6 1 1 A 39 39 ASP N N 39 124.992 124.719 0.273 1
1 161 . 6 1 1 A 40 40 ASN H H 40 9.522 8.860 0.662 1
1 162 . 6 1 1 A 40 40 ASN HA H 40 4.338 4.573 -0.235 1
1 163 . 6 1 1 A 40 40 ASN CA C 40 53.076 54.232 -1.156 1
1 164 . 6 1 1 A 40 40 ASN N N 40 114.854 118.601 -3.747 1
1 165 . 6 1 1 A 41 41 ASN H H 41 7.801 7.986 -0.185 1
1 166 . 6 1 1 A 41 41 ASN HA H 41 4.779 4.779 0.000 1
1 167 . 6 1 1 A 41 41 ASN N N 41 120.270 115.571 4.699 1
1 168 . 6 1 1 A 42 42 LYS H H 42 8.529 8.346 0.183 1
1 169 . 6 1 1 A 42 42 LYS HA H 42 4.469 4.934 -0.465 1
1 170 . 6 1 1 A 42 42 LYS CA C 42 54.420 54.861 -0.441 1
1 171 . 6 1 1 A 42 42 LYS N N 42 119.707 121.190 -1.483 1
1 172 . 6 1 1 A 43 43 CYS H H 43 7.612 8.575 -0.963 1
1 173 . 6 1 1 A 43 43 CYS HA H 43 5.440 5.704 -0.264 1
1 174 . 6 1 1 A 43 43 CYS CA C 43 51.081 56.393 -5.312 1
1 175 . 6 1 1 A 43 43 CYS N N 43 113.820 123.695 -9.875 1
1 176 . 6 1 1 A 44 44 THR H H 44 9.039 8.373 0.666 1
1 177 . 6 1 1 A 44 44 THR HA H 44 5.322 5.005 0.317 1
1 178 . 6 1 1 A 44 44 THR CA C 44 57.334 60.982 -3.648 1
1 179 . 6 1 1 A 44 44 THR CB C 44 69.530 71.329 -1.799 1
1 180 . 6 1 1 A 44 44 THR N N 44 113.118 111.579 1.539 1
1 181 . 6 1 1 A 45 45 VAL H H 45 8.647 8.632 0.015 1
1 182 . 6 1 1 A 45 45 VAL HA H 45 4.544 4.992 -0.448 1
1 183 . 6 1 1 A 45 45 VAL CA C 45 58.290 60.276 -1.986 1
1 184 . 6 1 1 A 45 45 VAL N N 45 122.102 124.037 -1.935 1
1 185 . 6 1 1 A 46 46 ASP H H 46 8.624 8.346 0.278 1
1 186 . 6 1 1 A 46 46 ASP HA H 46 5.396 4.914 0.482 1
1 187 . 6 1 1 A 46 46 ASP CA C 46 49.354 52.812 -3.458 1
1 188 . 6 1 1 A 46 46 ASP N N 46 126.564 126.564 0.000 1
1 189 . 6 1 1 A 47 47 THR H H 47 9.122 8.697 0.425 1
1 190 . 6 1 1 A 47 47 THR HA H 47 4.274 4.172 0.102 1
1 191 . 6 1 1 A 47 47 THR CA C 47 60.700 64.469 -3.769 1
1 192 . 6 1 1 A 47 47 THR CB C 47 66.440 68.748 -2.308 1
1 193 . 6 1 1 A 47 47 THR N N 47 114.486 119.804 -5.318 1
1 194 . 6 1 1 A 48 48 TYR H H 48 8.834 7.981 0.853 1
1 195 . 6 1 1 A 48 48 TYR HA H 48 4.476 4.031 0.445 1
1 196 . 6 1 1 A 48 48 TYR CA C 48 57.699 61.886 -4.187 1
1 197 . 6 1 1 A 48 48 TYR N N 48 123.919 123.963 -0.044 1
1 198 . 6 1 1 A 49 49 ASN H H 49 7.563 7.771 -0.208 1
1 199 . 6 1 1 A 49 49 ASN HA H 49 4.569 5.010 -0.441 1
1 200 . 6 1 1 A 49 49 ASN CA C 49 49.441 51.931 -2.490 1
1 201 . 6 1 1 A 49 49 ASN N N 49 113.858 114.054 -0.196 1
1 202 . 6 1 1 A 50 50 ASN H H 50 7.915 8.176 -0.261 1
1 203 . 6 1 1 A 50 50 ASN HA H 50 4.288 4.367 -0.079 1
1 204 . 6 1 1 A 50 50 ASN CA C 50 51.746 54.116 -2.370 1
1 205 . 6 1 1 A 50 50 ASN N N 50 117.382 116.449 0.933 1
1 206 . 6 1 1 A 51 51 ALA H H 51 7.904 7.256 0.648 1
1 207 . 6 1 1 A 51 51 ALA HA H 51 4.520 4.416 0.104 1
1 208 . 6 1 1 A 51 51 ALA CA C 51 49.621 51.506 -1.885 1
1 209 . 6 1 1 A 51 51 ALA CB C 51 17.920 18.920 -1.000 1
1 210 . 6 1 1 A 51 51 ALA N N 51 121.152 121.022 0.130 1
1 211 . 6 1 1 A 52 52 VAL H H 52 8.317 8.714 -0.397 1
1 212 . 6 1 1 A 52 52 VAL HA H 52 4.956 4.383 0.573 1
1 213 . 6 1 1 A 52 52 VAL CA C 52 58.076 62.202 -4.126 1
1 214 . 6 1 1 A 52 52 VAL N N 52 125.803 124.425 1.378 1
1 215 . 6 1 1 A 53 53 ASP H H 53 8.668 8.757 -0.089 1
1 216 . 6 1 1 A 53 53 ASP HA H 53 4.944 5.103 -0.159 1
1 217 . 6 1 1 A 53 53 ASP CA C 53 50.581 53.320 -2.739 1
1 218 . 6 1 1 A 53 53 ASP N N 53 126.104 126.780 -0.676 1
1 219 . 6 1 1 A 54 54 CYS H H 54 8.563 8.994 -0.431 1
1 220 . 6 1 1 A 54 54 CYS HA H 54 4.776 4.800 -0.024 1
1 221 . 6 1 1 A 54 54 CYS CA C 54 53.462 58.175 -4.713 1
1 222 . 6 1 1 A 54 54 CYS N N 54 123.741 126.686 -2.945 1
1 4 . 7 1 1 A 2 2 LYS H H 2 8.219 8.200 0.019 1
1 5 . 7 1 1 A 2 2 LYS HA H 2 5.318 5.288 0.030 1
1 6 . 7 1 1 A 2 2 LYS CA C 2 52.348 54.815 -2.467 1
1 7 . 7 1 1 A 2 2 LYS N N 2 120.076 116.711 3.365 1
1 8 . 7 1 1 A 3 3 TYR H H 3 8.999 8.927 0.072 1
1 9 . 7 1 1 A 3 3 TYR HA H 3 4.883 4.860 0.023 1
1 10 . 7 1 1 A 3 3 TYR CA C 3 53.848 56.724 -2.876 1
1 11 . 7 1 1 A 3 3 TYR N N 3 122.800 118.542 4.258 1
1 12 . 7 1 1 A 4 4 THR H H 4 8.885 8.836 0.049 1
1 13 . 7 1 1 A 4 4 THR HA H 4 5.117 5.234 -0.117 1
1 14 . 7 1 1 A 4 4 THR CA C 4 58.871 60.616 -1.745 1
1 15 . 7 1 1 A 4 4 THR CB C 4 67.850 70.316 -2.466 1
1 16 . 7 1 1 A 4 4 THR N N 4 117.092 116.227 0.865 1
1 17 . 7 1 1 A 5 5 GLY H H 5 9.159 8.289 0.870 1
1 18 . 7 1 1 A 5 5 GLY HA2 H 5 4.075 4.325 -0.250 1
1 19 . 7 1 1 A 5 5 GLY HA3 H 5 4.075 4.326 -0.251 1
1 20 . 7 1 1 A 5 5 GLY CA C 5 42.597 45.149 -2.552 1
1 21 . 7 1 1 A 5 5 GLY N N 5 115.357 111.240 4.117 1
1 22 . 7 1 1 A 6 6 LYS H H 6 8.495 8.943 -0.448 1
1 23 . 7 1 1 A 6 6 LYS HA H 6 5.460 5.181 0.279 1
1 24 . 7 1 1 A 6 6 LYS CA C 6 51.686 55.091 -3.405 1
1 25 . 7 1 1 A 6 6 LYS N N 6 121.225 118.401 2.824 1
1 26 . 7 1 1 A 7 7 CYS H H 7 9.847 8.710 1.137 1
1 27 . 7 1 1 A 7 7 CYS HA H 7 6.406 5.454 0.952 1
1 28 . 7 1 1 A 7 7 CYS CA C 7 50.542 57.545 -7.003 1
1 29 . 7 1 1 A 7 7 CYS N N 7 122.602 118.811 3.791 1
1 30 . 7 1 1 A 8 8 THR H H 8 8.726 8.176 0.550 1
1 31 . 7 1 1 A 8 8 THR HA H 8 4.793 4.949 -0.156 1
1 32 . 7 1 1 A 8 8 THR CA C 8 57.418 59.382 -1.964 1
1 33 . 7 1 1 A 8 8 THR CB C 8 68.450 71.335 -2.885 1
1 34 . 7 1 1 A 8 8 THR N N 8 113.380 112.818 0.562 1
1 35 . 7 1 1 A 9 9 LYS H H 9 8.993 8.728 0.265 1
1 36 . 7 1 1 A 9 9 LYS HA H 9 3.627 4.060 -0.433 1
1 37 . 7 1 1 A 9 9 LYS CA C 9 57.323 58.770 -1.447 1
1 38 . 7 1 1 A 9 9 LYS N N 9 127.577 122.468 5.109 1
1 39 . 7 1 1 A 10 10 SER H H 10 9.424 7.797 1.627 1
1 40 . 7 1 1 A 10 10 SER HA H 10 4.094 4.363 -0.269 1
1 41 . 7 1 1 A 10 10 SER CA C 10 59.187 60.075 -0.888 1
1 42 . 7 1 1 A 10 10 SER CB C 10 59.200 63.534 -4.334 1
1 43 . 7 1 1 A 10 10 SER N N 10 116.462 111.959 4.503 1
1 44 . 7 1 1 A 11 11 LYS H H 11 7.083 7.802 -0.719 1
1 45 . 7 1 1 A 11 11 LYS HA H 11 4.258 4.653 -0.395 1
1 46 . 7 1 1 A 11 11 LYS CA C 11 53.366 55.097 -1.731 1
1 47 . 7 1 1 A 11 11 LYS N N 11 117.002 117.609 -0.607 1
1 48 . 7 1 1 A 12 12 ASN H H 12 7.681 8.863 -1.182 1
1 49 . 7 1 1 A 12 12 ASN HA H 12 4.646 4.830 -0.184 1
1 50 . 7 1 1 A 12 12 ASN CA C 12 51.004 52.432 -1.428 1
1 51 . 7 1 1 A 12 12 ASN N N 12 120.475 123.730 -3.255 1
1 52 . 7 1 1 A 13 13 GLU H H 13 7.314 8.286 -0.972 1
1 53 . 7 1 1 A 13 13 GLU HA H 13 4.960 4.974 -0.014 1
1 54 . 7 1 1 A 13 13 GLU CA C 13 52.227 54.616 -2.389 1
1 55 . 7 1 1 A 13 13 GLU N N 13 114.791 121.099 -6.308 1
1 56 . 7 1 1 A 14 14 CYS H H 14 9.691 8.661 1.030 1
1 57 . 7 1 1 A 14 14 CYS HA H 14 4.738 5.007 -0.269 1
1 58 . 7 1 1 A 14 14 CYS N N 14 123.353 120.534 2.819 1
1 59 . 7 1 1 A 15 15 LYS H H 15 8.714 8.393 0.321 1
1 60 . 7 1 1 A 15 15 LYS HA H 15 5.015 4.065 0.950 1
1 61 . 7 1 1 A 15 15 LYS CA C 15 51.724 55.572 -3.848 1
1 62 . 7 1 1 A 15 15 LYS N N 15 130.540 122.758 7.782 1
1 63 . 7 1 1 A 16 16 TYR H H 16 9.038 8.021 1.017 1
1 64 . 7 1 1 A 16 16 TYR HA H 16 4.993 4.954 0.039 1
1 65 . 7 1 1 A 16 16 TYR CA C 16 52.239 56.527 -4.288 1
1 66 . 7 1 1 A 16 16 TYR N N 16 126.577 118.409 8.168 1
1 67 . 7 1 1 A 17 17 LYS H H 17 8.453 8.966 -0.513 1
1 68 . 7 1 1 A 17 17 LYS HA H 17 4.504 5.097 -0.593 1
1 69 . 7 1 1 A 17 17 LYS CA C 17 51.878 54.265 -2.387 1
1 70 . 7 1 1 A 17 17 LYS N N 17 120.816 116.420 4.396 1
1 71 . 7 1 1 A 18 18 ASN H H 18 7.811 8.373 -0.562 1
1 72 . 7 1 1 A 18 18 ASN HA H 18 4.181 5.121 -0.940 1
1 73 . 7 1 1 A 18 18 ASN CA C 18 48.245 50.771 -2.526 1
1 74 . 7 1 1 A 18 18 ASN N N 18 122.171 119.349 2.822 1
1 75 . 7 1 1 A 19 19 ASP H H 19 8.284 9.183 -0.899 1
1 76 . 7 1 1 A 19 19 ASP HA H 19 4.469 4.502 -0.033 1
1 77 . 7 1 1 A 19 19 ASP CA C 19 54.562 56.254 -1.692 1
1 78 . 7 1 1 A 19 19 ASP N N 19 117.497 118.543 -1.046 1
1 79 . 7 1 1 A 20 20 ALA H H 20 7.482 8.198 -0.716 1
1 80 . 7 1 1 A 20 20 ALA HA H 20 4.471 4.480 -0.009 1
1 81 . 7 1 1 A 20 20 ALA CA C 20 48.893 51.305 -2.412 1
1 82 . 7 1 1 A 20 20 ALA CB C 20 16.190 19.417 -3.227 1
1 83 . 7 1 1 A 20 20 ALA N N 20 120.920 119.187 1.733 1
1 84 . 7 1 1 A 21 21 GLY H H 21 8.229 7.953 0.276 1
1 85 . 7 1 1 A 21 21 GLY HA2 H 21 4.173 4.048 0.125 1
1 86 . 7 1 1 A 21 21 GLY HA3 H 21 4.173 4.049 0.124 1
1 87 . 7 1 1 A 21 21 GLY CA C 21 43.316 45.145 -1.829 1
1 88 . 7 1 1 A 21 21 GLY N N 21 107.360 106.303 1.057 1
1 89 . 7 1 1 A 22 22 LYS H H 22 7.721 7.655 0.066 1
1 90 . 7 1 1 A 22 22 LYS HA H 22 4.390 4.297 0.093 1
1 91 . 7 1 1 A 22 22 LYS CA C 22 51.822 55.499 -3.677 1
1 92 . 7 1 1 A 22 22 LYS N N 22 120.479 119.916 0.563 1
1 93 . 7 1 1 A 23 23 ASP H H 23 8.641 8.504 0.137 1
1 94 . 7 1 1 A 23 23 ASP HA H 23 4.365 4.339 0.026 1
1 95 . 7 1 1 A 23 23 ASP CA C 23 53.040 54.894 -1.854 1
1 96 . 7 1 1 A 23 23 ASP N N 23 126.541 124.993 1.548 1
1 97 . 7 1 1 A 24 24 THR H H 24 8.829 8.754 0.075 1
1 98 . 7 1 1 A 24 24 THR HA H 24 4.098 4.844 -0.746 1
1 99 . 7 1 1 A 24 24 THR CA C 24 59.221 60.968 -1.747 1
1 100 . 7 1 1 A 24 24 THR CB C 24 67.990 71.180 -3.190 1
1 101 . 7 1 1 A 24 24 THR N N 24 122.790 120.121 2.669 1
1 102 . 7 1 1 A 25 25 PHE H H 25 8.328 9.021 -0.693 1
1 103 . 7 1 1 A 25 25 PHE HA H 25 5.474 5.515 -0.041 1
1 104 . 7 1 1 A 25 25 PHE CA C 25 53.722 56.055 -2.333 1
1 105 . 7 1 1 A 25 25 PHE N N 25 122.281 124.895 -2.614 1
1 106 . 7 1 1 A 26 26 ILE H H 26 9.138 8.812 0.326 1
1 107 . 7 1 1 A 26 26 ILE HA H 26 4.671 4.620 0.051 1
1 108 . 7 1 1 A 26 26 ILE CA C 26 57.078 59.922 -2.844 1
1 109 . 7 1 1 A 26 26 ILE N N 26 123.064 122.233 0.831 1
1 110 . 7 1 1 A 27 27 LYS H H 27 8.358 8.573 -0.215 1
1 111 . 7 1 1 A 27 27 LYS HA H 27 4.280 4.273 0.007 1
1 112 . 7 1 1 A 27 27 LYS CA C 27 55.254 57.406 -2.152 1
1 113 . 7 1 1 A 27 27 LYS N N 27 127.092 128.174 -1.082 1
1 114 . 7 1 1 A 28 28 CYS H H 28 8.521 8.330 0.191 1
1 115 . 7 1 1 A 28 28 CYS HA H 28 4.653 4.708 -0.055 1
1 116 . 7 1 1 A 28 28 CYS CA C 28 54.049 58.469 -4.420 1
1 117 . 7 1 1 A 28 28 CYS N N 28 119.722 122.476 -2.754 1
1 118 . 7 1 1 A 29 29 PRO HA H 29 4.427 4.807 -0.380 1
1 119 . 7 1 1 A 29 29 PRO CA C 29 60.107 62.492 -2.385 1
1 120 . 7 1 1 A 30 30 LYS H H 30 8.055 8.350 -0.295 1
1 121 . 7 1 1 A 30 30 LYS HA H 30 4.048 4.742 -0.694 1
1 122 . 7 1 1 A 30 30 LYS CA C 30 53.665 55.176 -1.511 1
1 123 . 7 1 1 A 30 30 LYS N N 30 116.627 123.129 -6.502 1
1 124 . 7 1 1 A 31 31 PHE H H 31 6.526 8.730 -2.204 1
1 125 . 7 1 1 A 31 31 PHE HA H 31 4.608 4.780 -0.172 1
1 126 . 7 1 1 A 31 31 PHE CA C 31 54.082 56.424 -2.342 1
1 127 . 7 1 1 A 31 31 PHE N N 31 116.828 123.782 -6.954 1
1 128 . 7 1 1 A 32 32 ASP H H 32 8.809 8.321 0.488 1
1 129 . 7 1 1 A 32 32 ASP HA H 32 4.238 4.385 -0.147 1
1 130 . 7 1 1 A 32 32 ASP CA C 32 54.669 54.920 -0.251 1
1 131 . 7 1 1 A 32 32 ASP N N 32 121.542 122.458 -0.916 1
1 132 . 7 1 1 A 33 33 ASN H H 33 8.540 8.107 0.433 1
1 133 . 7 1 1 A 33 33 ASN HA H 33 4.636 4.983 -0.347 1
1 134 . 7 1 1 A 33 33 ASN CA C 33 51.706 54.397 -2.691 1
1 135 . 7 1 1 A 33 33 ASN N N 33 113.646 120.124 -6.478 1
1 136 . 7 1 1 A 34 34 LYS H H 34 7.737 7.552 0.185 1
1 137 . 7 1 1 A 34 34 LYS HA H 34 4.935 4.539 0.396 1
1 138 . 7 1 1 A 34 34 LYS CA C 34 52.839 55.757 -2.918 1
1 139 . 7 1 1 A 34 34 LYS N N 34 117.519 118.982 -1.463 1
1 140 . 7 1 1 A 35 35 LYS H H 35 6.969 8.206 -1.237 1
1 141 . 7 1 1 A 35 35 LYS HA H 35 4.601 4.270 0.331 1
1 142 . 7 1 1 A 35 35 LYS CA C 35 52.439 55.772 -3.333 1
1 143 . 7 1 1 A 35 35 LYS N N 35 116.846 121.907 -5.061 1
1 144 . 7 1 1 A 36 36 CYS H H 36 8.672 8.400 0.272 1
1 145 . 7 1 1 A 36 36 CYS HA H 36 4.781 4.490 0.291 1
1 146 . 7 1 1 A 36 36 CYS CA C 36 49.490 59.772 -10.282 1
1 147 . 7 1 1 A 36 36 CYS N N 36 118.220 120.111 -1.891 1
1 148 . 7 1 1 A 37 37 THR H H 37 10.153 8.516 1.637 1
1 149 . 7 1 1 A 37 37 THR HA H 37 4.287 4.636 -0.349 1
1 150 . 7 1 1 A 37 37 THR CA C 37 60.509 61.017 -0.508 1
1 151 . 7 1 1 A 37 37 THR CB C 37 68.160 69.644 -1.484 1
1 152 . 7 1 1 A 37 37 THR N N 37 121.911 116.792 5.119 1
1 153 . 7 1 1 A 38 38 LYS H H 38 7.346 7.461 -0.115 1
1 154 . 7 1 1 A 38 38 LYS HA H 38 4.235 4.552 -0.317 1
1 155 . 7 1 1 A 38 38 LYS CA C 38 54.060 56.077 -2.017 1
1 156 . 7 1 1 A 38 38 LYS N N 38 122.163 123.744 -1.581 1
1 157 . 7 1 1 A 39 39 ASP H H 39 8.827 8.647 0.180 1
1 158 . 7 1 1 A 39 39 ASP HA H 39 4.642 4.464 0.178 1
1 159 . 7 1 1 A 39 39 ASP CA C 39 52.593 55.212 -2.619 1
1 160 . 7 1 1 A 39 39 ASP N N 39 124.992 125.097 -0.105 1
1 161 . 7 1 1 A 40 40 ASN H H 40 9.522 8.872 0.650 1
1 162 . 7 1 1 A 40 40 ASN HA H 40 4.338 4.323 0.015 1
1 163 . 7 1 1 A 40 40 ASN CA C 40 53.076 54.205 -1.129 1
1 164 . 7 1 1 A 40 40 ASN N N 40 114.854 116.269 -1.415 1
1 165 . 7 1 1 A 41 41 ASN H H 41 7.801 8.204 -0.403 1
1 166 . 7 1 1 A 41 41 ASN HA H 41 4.779 4.771 0.008 1
1 167 . 7 1 1 A 41 41 ASN N N 41 120.270 115.750 4.520 1
1 168 . 7 1 1 A 42 42 LYS H H 42 8.529 7.605 0.924 1
1 169 . 7 1 1 A 42 42 LYS HA H 42 4.469 4.651 -0.182 1
1 170 . 7 1 1 A 42 42 LYS CA C 42 54.420 55.910 -1.490 1
1 171 . 7 1 1 A 42 42 LYS N N 42 119.707 115.155 4.552 1
1 172 . 7 1 1 A 43 43 CYS H H 43 7.612 8.583 -0.971 1
1 173 . 7 1 1 A 43 43 CYS HA H 43 5.440 5.007 0.433 1
1 174 . 7 1 1 A 43 43 CYS CA C 43 51.081 58.209 -7.128 1
1 175 . 7 1 1 A 43 43 CYS N N 43 113.820 122.105 -8.285 1
1 176 . 7 1 1 A 44 44 THR H H 44 9.039 8.524 0.515 1
1 177 . 7 1 1 A 44 44 THR HA H 44 5.322 5.362 -0.040 1
1 178 . 7 1 1 A 44 44 THR CA C 44 57.334 60.594 -3.260 1
1 179 . 7 1 1 A 44 44 THR CB C 44 69.530 72.232 -2.702 1
1 180 . 7 1 1 A 44 44 THR N N 44 113.118 116.889 -3.771 1
1 181 . 7 1 1 A 45 45 VAL H H 45 8.647 8.258 0.389 1
1 182 . 7 1 1 A 45 45 VAL HA H 45 4.544 4.860 -0.316 1
1 183 . 7 1 1 A 45 45 VAL CA C 45 58.290 61.089 -2.799 1
1 184 . 7 1 1 A 45 45 VAL N N 45 122.102 123.297 -1.195 1
1 185 . 7 1 1 A 46 46 ASP H H 46 8.624 8.981 -0.357 1
1 186 . 7 1 1 A 46 46 ASP HA H 46 5.396 5.356 0.040 1
1 187 . 7 1 1 A 46 46 ASP CA C 46 49.354 52.759 -3.405 1
1 188 . 7 1 1 A 46 46 ASP N N 46 126.564 128.039 -1.475 1
1 189 . 7 1 1 A 47 47 THR H H 47 9.122 8.560 0.562 1
1 190 . 7 1 1 A 47 47 THR HA H 47 4.274 4.370 -0.096 1
1 191 . 7 1 1 A 47 47 THR CA C 47 60.700 63.867 -3.167 1
1 192 . 7 1 1 A 47 47 THR CB C 47 66.440 69.350 -2.910 1
1 193 . 7 1 1 A 47 47 THR N N 47 114.486 114.873 -0.387 1
1 194 . 7 1 1 A 48 48 TYR H H 48 8.834 8.115 0.719 1
1 195 . 7 1 1 A 48 48 TYR HA H 48 4.476 4.073 0.403 1
1 196 . 7 1 1 A 48 48 TYR CA C 48 57.699 61.938 -4.239 1
1 197 . 7 1 1 A 48 48 TYR N N 48 123.919 124.097 -0.178 1
1 198 . 7 1 1 A 49 49 ASN H H 49 7.563 7.744 -0.181 1
1 199 . 7 1 1 A 49 49 ASN HA H 49 4.569 4.834 -0.265 1
1 200 . 7 1 1 A 49 49 ASN CA C 49 49.441 51.860 -2.419 1
1 201 . 7 1 1 A 49 49 ASN N N 49 113.858 113.740 0.118 1
1 202 . 7 1 1 A 50 50 ASN H H 50 7.915 8.166 -0.251 1
1 203 . 7 1 1 A 50 50 ASN HA H 50 4.288 4.470 -0.182 1
1 204 . 7 1 1 A 50 50 ASN CA C 50 51.746 54.482 -2.736 1
1 205 . 7 1 1 A 50 50 ASN N N 50 117.382 113.112 4.270 1
1 206 . 7 1 1 A 51 51 ALA H H 51 7.904 7.687 0.217 1
1 207 . 7 1 1 A 51 51 ALA HA H 51 4.520 4.330 0.190 1
1 208 . 7 1 1 A 51 51 ALA CA C 51 49.621 51.655 -2.034 1
1 209 . 7 1 1 A 51 51 ALA CB C 51 17.920 17.883 0.037 1
1 210 . 7 1 1 A 51 51 ALA N N 51 121.152 120.678 0.474 1
1 211 . 7 1 1 A 52 52 VAL H H 52 8.317 8.146 0.171 1
1 212 . 7 1 1 A 52 52 VAL HA H 52 4.956 4.432 0.524 1
1 213 . 7 1 1 A 52 52 VAL CA C 52 58.076 62.486 -4.410 1
1 214 . 7 1 1 A 52 52 VAL N N 52 125.803 123.665 2.138 1
1 215 . 7 1 1 A 53 53 ASP H H 53 8.668 9.024 -0.356 1
1 216 . 7 1 1 A 53 53 ASP HA H 53 4.944 4.748 0.196 1
1 217 . 7 1 1 A 53 53 ASP CA C 53 50.581 53.447 -2.866 1
1 218 . 7 1 1 A 53 53 ASP N N 53 126.104 127.616 -1.512 1
1 219 . 7 1 1 A 54 54 CYS H H 54 8.563 8.656 -0.093 1
1 220 . 7 1 1 A 54 54 CYS HA H 54 4.776 4.901 -0.125 1
1 221 . 7 1 1 A 54 54 CYS CA C 54 53.462 58.417 -4.955 1
1 222 . 7 1 1 A 54 54 CYS N N 54 123.741 117.946 5.795 1
1 4 . 8 1 1 A 2 2 LYS H H 2 8.219 7.935 0.284 1
1 5 . 8 1 1 A 2 2 LYS HA H 2 5.318 4.072 1.246 1
1 6 . 8 1 1 A 2 2 LYS CA C 2 52.348 55.673 -3.325 1
1 7 . 8 1 1 A 2 2 LYS N N 2 120.076 116.618 3.458 1
1 8 . 8 1 1 A 3 3 TYR H H 3 8.999 8.942 0.057 1
1 9 . 8 1 1 A 3 3 TYR HA H 3 4.883 5.193 -0.310 1
1 10 . 8 1 1 A 3 3 TYR CA C 3 53.848 56.140 -2.292 1
1 11 . 8 1 1 A 3 3 TYR N N 3 122.800 117.931 4.869 1
1 12 . 8 1 1 A 4 4 THR H H 4 8.885 8.649 0.236 1
1 13 . 8 1 1 A 4 4 THR HA H 4 5.117 5.137 -0.020 1
1 14 . 8 1 1 A 4 4 THR CA C 4 58.871 60.028 -1.157 1
1 15 . 8 1 1 A 4 4 THR CB C 4 67.850 71.595 -3.745 1
1 16 . 8 1 1 A 4 4 THR N N 4 117.092 113.197 3.895 1
1 17 . 8 1 1 A 5 5 GLY H H 5 9.159 8.032 1.127 1
1 18 . 8 1 1 A 5 5 GLY HA2 H 5 4.075 4.367 -0.292 1
1 19 . 8 1 1 A 5 5 GLY HA3 H 5 4.075 4.378 -0.303 1
1 20 . 8 1 1 A 5 5 GLY CA C 5 42.597 45.754 -3.157 1
1 21 . 8 1 1 A 5 5 GLY N N 5 115.357 107.831 7.526 1
1 22 . 8 1 1 A 6 6 LYS H H 6 8.495 8.493 0.002 1
1 23 . 8 1 1 A 6 6 LYS HA H 6 5.460 5.025 0.435 1
1 24 . 8 1 1 A 6 6 LYS CA C 6 51.686 54.534 -2.848 1
1 25 . 8 1 1 A 6 6 LYS N N 6 121.225 120.060 1.165 1
1 26 . 8 1 1 A 7 7 CYS H H 7 9.847 8.589 1.258 1
1 27 . 8 1 1 A 7 7 CYS HA H 7 6.406 4.848 1.558 1
1 28 . 8 1 1 A 7 7 CYS CA C 7 50.542 58.345 -7.803 1
1 29 . 8 1 1 A 7 7 CYS N N 7 122.602 121.064 1.538 1
1 30 . 8 1 1 A 8 8 THR H H 8 8.726 8.397 0.329 1
1 31 . 8 1 1 A 8 8 THR HA H 8 4.793 4.698 0.095 1
1 32 . 8 1 1 A 8 8 THR CA C 8 57.418 60.336 -2.918 1
1 33 . 8 1 1 A 8 8 THR CB C 8 68.450 68.519 -0.069 1
1 34 . 8 1 1 A 8 8 THR N N 8 113.380 112.849 0.531 1
1 35 . 8 1 1 A 9 9 LYS H H 9 8.993 8.184 0.809 1
1 36 . 8 1 1 A 9 9 LYS HA H 9 3.627 3.941 -0.314 1
1 37 . 8 1 1 A 9 9 LYS CA C 9 57.323 58.731 -1.408 1
1 38 . 8 1 1 A 9 9 LYS N N 9 127.577 115.908 11.669 1
1 39 . 8 1 1 A 10 10 SER H H 10 9.424 8.790 0.634 1
1 40 . 8 1 1 A 10 10 SER HA H 10 4.094 4.204 -0.110 1
1 41 . 8 1 1 A 10 10 SER CA C 10 59.187 61.313 -2.126 1
1 42 . 8 1 1 A 10 10 SER CB C 10 59.200 62.245 -3.045 1
1 43 . 8 1 1 A 10 10 SER N N 10 116.462 114.392 2.070 1
1 44 . 8 1 1 A 11 11 LYS H H 11 7.083 7.324 -0.241 1
1 45 . 8 1 1 A 11 11 LYS HA H 11 4.258 4.397 -0.139 1
1 46 . 8 1 1 A 11 11 LYS CA C 11 53.366 55.483 -2.117 1
1 47 . 8 1 1 A 11 11 LYS N N 11 117.002 119.712 -2.710 1
1 48 . 8 1 1 A 12 12 ASN H H 12 7.681 8.575 -0.894 1
1 49 . 8 1 1 A 12 12 ASN HA H 12 4.646 4.759 -0.113 1
1 50 . 8 1 1 A 12 12 ASN CA C 12 51.004 52.043 -1.039 1
1 51 . 8 1 1 A 12 12 ASN N N 12 120.475 126.307 -5.832 1
1 52 . 8 1 1 A 13 13 GLU H H 13 7.314 8.060 -0.746 1
1 53 . 8 1 1 A 13 13 GLU HA H 13 4.960 5.028 -0.068 1
1 54 . 8 1 1 A 13 13 GLU CA C 13 52.227 54.870 -2.643 1
1 55 . 8 1 1 A 13 13 GLU N N 13 114.791 118.826 -4.035 1
1 56 . 8 1 1 A 14 14 CYS H H 14 9.691 8.663 1.028 1
1 57 . 8 1 1 A 14 14 CYS HA H 14 4.738 4.854 -0.116 1
1 58 . 8 1 1 A 14 14 CYS N N 14 123.353 122.226 1.127 1
1 59 . 8 1 1 A 15 15 LYS H H 15 8.714 8.819 -0.105 1
1 60 . 8 1 1 A 15 15 LYS HA H 15 5.015 4.587 0.428 1
1 61 . 8 1 1 A 15 15 LYS CA C 15 51.724 54.818 -3.094 1
1 62 . 8 1 1 A 15 15 LYS N N 15 130.540 128.676 1.864 1
1 63 . 8 1 1 A 16 16 TYR H H 16 9.038 8.184 0.854 1
1 64 . 8 1 1 A 16 16 TYR HA H 16 4.993 5.227 -0.234 1
1 65 . 8 1 1 A 16 16 TYR CA C 16 52.239 55.345 -3.106 1
1 66 . 8 1 1 A 16 16 TYR N N 16 126.577 124.079 2.498 1
1 67 . 8 1 1 A 17 17 LYS H H 17 8.453 8.822 -0.369 1
1 68 . 8 1 1 A 17 17 LYS HA H 17 4.504 5.007 -0.503 1
1 69 . 8 1 1 A 17 17 LYS CA C 17 51.878 54.846 -2.968 1
1 70 . 8 1 1 A 17 17 LYS N N 17 120.816 120.897 -0.081 1
1 71 . 8 1 1 A 18 18 ASN H H 18 7.811 8.809 -0.998 1
1 72 . 8 1 1 A 18 18 ASN HA H 18 4.181 5.170 -0.989 1
1 73 . 8 1 1 A 18 18 ASN CA C 18 48.245 51.237 -2.992 1
1 74 . 8 1 1 A 18 18 ASN N N 18 122.171 123.739 -1.568 1
1 75 . 8 1 1 A 19 19 ASP H H 19 8.284 9.232 -0.948 1
1 76 . 8 1 1 A 19 19 ASP HA H 19 4.469 4.493 -0.024 1
1 77 . 8 1 1 A 19 19 ASP CA C 19 54.562 56.212 -1.650 1
1 78 . 8 1 1 A 19 19 ASP N N 19 117.497 118.643 -1.146 1
1 79 . 8 1 1 A 20 20 ALA H H 20 7.482 8.142 -0.660 1
1 80 . 8 1 1 A 20 20 ALA HA H 20 4.471 4.487 -0.016 1
1 81 . 8 1 1 A 20 20 ALA CA C 20 48.893 51.363 -2.470 1
1 82 . 8 1 1 A 20 20 ALA CB C 20 16.190 19.425 -3.235 1
1 83 . 8 1 1 A 20 20 ALA N N 20 120.920 119.414 1.506 1
1 84 . 8 1 1 A 21 21 GLY H H 21 8.229 7.544 0.685 1
1 85 . 8 1 1 A 21 21 GLY HA2 H 21 4.173 4.076 0.097 1
1 86 . 8 1 1 A 21 21 GLY HA3 H 21 4.173 4.081 0.092 1
1 87 . 8 1 1 A 21 21 GLY CA C 21 43.316 45.045 -1.729 1
1 88 . 8 1 1 A 21 21 GLY N N 21 107.360 105.107 2.253 1
1 89 . 8 1 1 A 22 22 LYS H H 22 7.721 7.470 0.251 1
1 90 . 8 1 1 A 22 22 LYS HA H 22 4.390 4.288 0.102 1
1 91 . 8 1 1 A 22 22 LYS CA C 22 51.822 55.879 -4.057 1
1 92 . 8 1 1 A 22 22 LYS N N 22 120.479 120.101 0.378 1
1 93 . 8 1 1 A 23 23 ASP H H 23 8.641 8.463 0.178 1
1 94 . 8 1 1 A 23 23 ASP HA H 23 4.365 4.529 -0.164 1
1 95 . 8 1 1 A 23 23 ASP CA C 23 53.040 53.798 -0.758 1
1 96 . 8 1 1 A 23 23 ASP N N 23 126.541 124.503 2.038 1
1 97 . 8 1 1 A 24 24 THR H H 24 8.829 7.853 0.976 1
1 98 . 8 1 1 A 24 24 THR HA H 24 4.098 4.805 -0.707 1
1 99 . 8 1 1 A 24 24 THR CA C 24 59.221 60.584 -1.363 1
1 100 . 8 1 1 A 24 24 THR CB C 24 67.990 70.699 -2.709 1
1 101 . 8 1 1 A 24 24 THR N N 24 122.790 115.468 7.322 1
1 102 . 8 1 1 A 25 25 PHE H H 25 8.328 8.891 -0.563 1
1 103 . 8 1 1 A 25 25 PHE HA H 25 5.474 5.353 0.121 1
1 104 . 8 1 1 A 25 25 PHE CA C 25 53.722 56.372 -2.650 1
1 105 . 8 1 1 A 25 25 PHE N N 25 122.281 124.510 -2.229 1
1 106 . 8 1 1 A 26 26 ILE H H 26 9.138 8.832 0.306 1
1 107 . 8 1 1 A 26 26 ILE HA H 26 4.671 4.781 -0.110 1
1 108 . 8 1 1 A 26 26 ILE CA C 26 57.078 60.083 -3.005 1
1 109 . 8 1 1 A 26 26 ILE N N 26 123.064 123.023 0.041 1
1 110 . 8 1 1 A 27 27 LYS H H 27 8.358 8.627 -0.269 1
1 111 . 8 1 1 A 27 27 LYS HA H 27 4.280 4.539 -0.259 1
1 112 . 8 1 1 A 27 27 LYS CA C 27 55.254 57.560 -2.306 1
1 113 . 8 1 1 A 27 27 LYS N N 27 127.092 128.559 -1.467 1
1 114 . 8 1 1 A 28 28 CYS H H 28 8.521 8.743 -0.222 1
1 115 . 8 1 1 A 28 28 CYS HA H 28 4.653 4.620 0.033 1
1 116 . 8 1 1 A 28 28 CYS CA C 28 54.049 58.617 -4.568 1
1 117 . 8 1 1 A 28 28 CYS N N 28 119.722 122.726 -3.004 1
1 118 . 8 1 1 A 29 29 PRO HA H 29 4.427 4.400 0.027 1
1 119 . 8 1 1 A 29 29 PRO CA C 29 60.107 62.422 -2.315 1
1 120 . 8 1 1 A 30 30 LYS H H 30 8.055 7.525 0.530 1
1 121 . 8 1 1 A 30 30 LYS HA H 30 4.048 4.554 -0.506 1
1 122 . 8 1 1 A 30 30 LYS CA C 30 53.665 55.005 -1.340 1
1 123 . 8 1 1 A 30 30 LYS N N 30 116.627 123.334 -6.707 1
1 124 . 8 1 1 A 31 31 PHE H H 31 6.526 8.430 -1.904 1
1 125 . 8 1 1 A 31 31 PHE HA H 31 4.608 4.763 -0.155 1
1 126 . 8 1 1 A 31 31 PHE CA C 31 54.082 57.417 -3.335 1
1 127 . 8 1 1 A 31 31 PHE N N 31 116.828 123.380 -6.552 1
1 128 . 8 1 1 A 32 32 ASP H H 32 8.809 9.232 -0.423 1
1 129 . 8 1 1 A 32 32 ASP HA H 32 4.238 4.292 -0.054 1
1 130 . 8 1 1 A 32 32 ASP CA C 32 54.669 55.317 -0.648 1
1 131 . 8 1 1 A 32 32 ASP N N 32 121.542 125.475 -3.933 1
1 132 . 8 1 1 A 33 33 ASN H H 33 8.540 8.040 0.500 1
1 133 . 8 1 1 A 33 33 ASN HA H 33 4.636 5.021 -0.385 1
1 134 . 8 1 1 A 33 33 ASN CA C 33 51.706 54.355 -2.649 1
1 135 . 8 1 1 A 33 33 ASN N N 33 113.646 118.308 -4.662 1
1 136 . 8 1 1 A 34 34 LYS H H 34 7.737 7.529 0.208 1
1 137 . 8 1 1 A 34 34 LYS HA H 34 4.935 4.485 0.450 1
1 138 . 8 1 1 A 34 34 LYS CA C 34 52.839 55.909 -3.070 1
1 139 . 8 1 1 A 34 34 LYS N N 34 117.519 118.324 -0.805 1
1 140 . 8 1 1 A 35 35 LYS H H 35 6.969 8.433 -1.464 1
1 141 . 8 1 1 A 35 35 LYS HA H 35 4.601 4.330 0.271 1
1 142 . 8 1 1 A 35 35 LYS CA C 35 52.439 55.897 -3.458 1
1 143 . 8 1 1 A 35 35 LYS N N 35 116.846 123.217 -6.371 1
1 144 . 8 1 1 A 36 36 CYS H H 36 8.672 8.525 0.147 1
1 145 . 8 1 1 A 36 36 CYS HA H 36 4.781 4.442 0.339 1
1 146 . 8 1 1 A 36 36 CYS CA C 36 49.490 59.748 -10.258 1
1 147 . 8 1 1 A 36 36 CYS N N 36 118.220 120.762 -2.542 1
1 148 . 8 1 1 A 37 37 THR H H 37 10.153 8.519 1.634 1
1 149 . 8 1 1 A 37 37 THR HA H 37 4.287 4.652 -0.365 1
1 150 . 8 1 1 A 37 37 THR CA C 37 60.509 60.669 -0.160 1
1 151 . 8 1 1 A 37 37 THR CB C 37 68.160 69.012 -0.852 1
1 152 . 8 1 1 A 37 37 THR N N 37 121.911 114.804 7.107 1
1 153 . 8 1 1 A 38 38 LYS H H 38 7.346 7.475 -0.129 1
1 154 . 8 1 1 A 38 38 LYS HA H 38 4.235 4.521 -0.286 1
1 155 . 8 1 1 A 38 38 LYS CA C 38 54.060 55.990 -1.930 1
1 156 . 8 1 1 A 38 38 LYS N N 38 122.163 121.909 0.254 1
1 157 . 8 1 1 A 39 39 ASP H H 39 8.827 8.723 0.104 1
1 158 . 8 1 1 A 39 39 ASP HA H 39 4.642 4.465 0.177 1
1 159 . 8 1 1 A 39 39 ASP CA C 39 52.593 55.169 -2.576 1
1 160 . 8 1 1 A 39 39 ASP N N 39 124.992 125.117 -0.125 1
1 161 . 8 1 1 A 40 40 ASN H H 40 9.522 9.384 0.138 1
1 162 . 8 1 1 A 40 40 ASN HA H 40 4.338 4.399 -0.061 1
1 163 . 8 1 1 A 40 40 ASN CA C 40 53.076 54.221 -1.145 1
1 164 . 8 1 1 A 40 40 ASN N N 40 114.854 116.267 -1.413 1
1 165 . 8 1 1 A 41 41 ASN H H 41 7.801 8.141 -0.340 1
1 166 . 8 1 1 A 41 41 ASN HA H 41 4.779 4.754 0.025 1
1 167 . 8 1 1 A 41 41 ASN N N 41 120.270 115.675 4.595 1
1 168 . 8 1 1 A 42 42 LYS H H 42 8.529 7.639 0.890 1
1 169 . 8 1 1 A 42 42 LYS HA H 42 4.469 4.601 -0.132 1
1 170 . 8 1 1 A 42 42 LYS CA C 42 54.420 55.971 -1.551 1
1 171 . 8 1 1 A 42 42 LYS N N 42 119.707 114.943 4.764 1
1 172 . 8 1 1 A 43 43 CYS H H 43 7.612 8.278 -0.666 1
1 173 . 8 1 1 A 43 43 CYS HA H 43 5.440 5.218 0.222 1
1 174 . 8 1 1 A 43 43 CYS CA C 43 51.081 57.948 -6.867 1
1 175 . 8 1 1 A 43 43 CYS N N 43 113.820 122.787 -8.967 1
1 176 . 8 1 1 A 44 44 THR H H 44 9.039 8.525 0.514 1
1 177 . 8 1 1 A 44 44 THR HA H 44 5.322 4.952 0.370 1
1 178 . 8 1 1 A 44 44 THR CA C 44 57.334 60.463 -3.129 1
1 179 . 8 1 1 A 44 44 THR CB C 44 69.530 71.643 -2.113 1
1 180 . 8 1 1 A 44 44 THR N N 44 113.118 116.112 -2.994 1
1 181 . 8 1 1 A 45 45 VAL H H 45 8.647 8.279 0.368 1
1 182 . 8 1 1 A 45 45 VAL HA H 45 4.544 4.966 -0.422 1
1 183 . 8 1 1 A 45 45 VAL CA C 45 58.290 60.541 -2.251 1
1 184 . 8 1 1 A 45 45 VAL N N 45 122.102 122.813 -0.711 1
1 185 . 8 1 1 A 46 46 ASP H H 46 8.624 8.706 -0.082 1
1 186 . 8 1 1 A 46 46 ASP HA H 46 5.396 5.124 0.272 1
1 187 . 8 1 1 A 46 46 ASP CA C 46 49.354 52.939 -3.585 1
1 188 . 8 1 1 A 46 46 ASP N N 46 126.564 126.675 -0.111 1
1 189 . 8 1 1 A 47 47 THR H H 47 9.122 8.452 0.670 1
1 190 . 8 1 1 A 47 47 THR HA H 47 4.274 4.479 -0.205 1
1 191 . 8 1 1 A 47 47 THR CA C 47 60.700 62.881 -2.181 1
1 192 . 8 1 1 A 47 47 THR CB C 47 66.440 69.428 -2.988 1
1 193 . 8 1 1 A 47 47 THR N N 47 114.486 115.431 -0.945 1
1 194 . 8 1 1 A 48 48 TYR H H 48 8.834 8.152 0.682 1
1 195 . 8 1 1 A 48 48 TYR HA H 48 4.476 4.091 0.385 1
1 196 . 8 1 1 A 48 48 TYR CA C 48 57.699 61.897 -4.198 1
1 197 . 8 1 1 A 48 48 TYR N N 48 123.919 123.697 0.222 1
1 198 . 8 1 1 A 49 49 ASN H H 49 7.563 7.715 -0.152 1
1 199 . 8 1 1 A 49 49 ASN HA H 49 4.569 4.821 -0.252 1
1 200 . 8 1 1 A 49 49 ASN CA C 49 49.441 51.767 -2.326 1
1 201 . 8 1 1 A 49 49 ASN N N 49 113.858 113.852 0.006 1
1 202 . 8 1 1 A 50 50 ASN H H 50 7.915 8.173 -0.258 1
1 203 . 8 1 1 A 50 50 ASN HA H 50 4.288 4.397 -0.109 1
1 204 . 8 1 1 A 50 50 ASN CA C 50 51.746 54.085 -2.339 1
1 205 . 8 1 1 A 50 50 ASN N N 50 117.382 115.986 1.396 1
1 206 . 8 1 1 A 51 51 ALA H H 51 7.904 7.825 0.079 1
1 207 . 8 1 1 A 51 51 ALA HA H 51 4.520 4.518 0.002 1
1 208 . 8 1 1 A 51 51 ALA CA C 51 49.621 51.245 -1.624 1
1 209 . 8 1 1 A 51 51 ALA CB C 51 17.920 20.146 -2.226 1
1 210 . 8 1 1 A 51 51 ALA N N 51 121.152 121.380 -0.228 1
1 211 . 8 1 1 A 52 52 VAL H H 52 8.317 8.982 -0.665 1
1 212 . 8 1 1 A 52 52 VAL HA H 52 4.956 4.491 0.465 1
1 213 . 8 1 1 A 52 52 VAL CA C 52 58.076 61.527 -3.451 1
1 214 . 8 1 1 A 52 52 VAL N N 52 125.803 124.087 1.716 1
1 215 . 8 1 1 A 53 53 ASP H H 53 8.668 8.717 -0.049 1
1 216 . 8 1 1 A 53 53 ASP HA H 53 4.944 4.898 0.046 1
1 217 . 8 1 1 A 53 53 ASP CA C 53 50.581 54.266 -3.685 1
1 218 . 8 1 1 A 53 53 ASP N N 53 126.104 127.590 -1.486 1
1 219 . 8 1 1 A 54 54 CYS H H 54 8.563 8.545 0.018 1
1 220 . 8 1 1 A 54 54 CYS HA H 54 4.776 4.946 -0.170 1
1 221 . 8 1 1 A 54 54 CYS CA C 54 53.462 57.368 -3.906 1
1 222 . 8 1 1 A 54 54 CYS N N 54 123.741 117.512 6.229 1
1 4 . 9 1 1 A 2 2 LYS H H 2 8.219 8.193 0.026 1
1 5 . 9 1 1 A 2 2 LYS HA H 2 5.318 4.945 0.373 1
1 6 . 9 1 1 A 2 2 LYS CA C 2 52.348 54.399 -2.051 1
1 7 . 9 1 1 A 2 2 LYS N N 2 120.076 120.153 -0.077 1
1 8 . 9 1 1 A 3 3 TYR H H 3 8.999 8.771 0.228 1
1 9 . 9 1 1 A 3 3 TYR HA H 3 4.883 5.138 -0.255 1
1 10 . 9 1 1 A 3 3 TYR CA C 3 53.848 56.364 -2.516 1
1 11 . 9 1 1 A 3 3 TYR N N 3 122.800 118.403 4.397 1
1 12 . 9 1 1 A 4 4 THR H H 4 8.885 8.788 0.097 1
1 13 . 9 1 1 A 4 4 THR HA H 4 5.117 5.167 -0.050 1
1 14 . 9 1 1 A 4 4 THR CA C 4 58.871 59.699 -0.828 1
1 15 . 9 1 1 A 4 4 THR CB C 4 67.850 72.082 -4.232 1
1 16 . 9 1 1 A 4 4 THR N N 4 117.092 115.974 1.118 1
1 17 . 9 1 1 A 5 5 GLY H H 5 9.159 8.126 1.033 1
1 18 . 9 1 1 A 5 5 GLY HA2 H 5 4.075 4.389 -0.314 1
1 19 . 9 1 1 A 5 5 GLY HA3 H 5 4.075 4.397 -0.322 1
1 20 . 9 1 1 A 5 5 GLY CA C 5 42.597 46.002 -3.405 1
1 21 . 9 1 1 A 5 5 GLY N N 5 115.357 113.298 2.059 1
1 22 . 9 1 1 A 6 6 LYS H H 6 8.495 8.382 0.113 1
1 23 . 9 1 1 A 6 6 LYS HA H 6 5.460 5.122 0.338 1
1 24 . 9 1 1 A 6 6 LYS CA C 6 51.686 54.791 -3.105 1
1 25 . 9 1 1 A 6 6 LYS N N 6 121.225 120.824 0.401 1
1 26 . 9 1 1 A 7 7 CYS H H 7 9.847 8.819 1.028 1
1 27 . 9 1 1 A 7 7 CYS HA H 7 6.406 5.436 0.970 1
1 28 . 9 1 1 A 7 7 CYS CA C 7 50.542 57.616 -7.074 1
1 29 . 9 1 1 A 7 7 CYS N N 7 122.602 118.802 3.800 1
1 30 . 9 1 1 A 8 8 THR H H 8 8.726 8.204 0.522 1
1 31 . 9 1 1 A 8 8 THR HA H 8 4.793 4.874 -0.081 1
1 32 . 9 1 1 A 8 8 THR CA C 8 57.418 59.791 -2.373 1
1 33 . 9 1 1 A 8 8 THR CB C 8 68.450 70.859 -2.409 1
1 34 . 9 1 1 A 8 8 THR N N 8 113.380 117.427 -4.047 1
1 35 . 9 1 1 A 9 9 LYS H H 9 8.993 8.732 0.261 1
1 36 . 9 1 1 A 9 9 LYS HA H 9 3.627 4.062 -0.435 1
1 37 . 9 1 1 A 9 9 LYS CA C 9 57.323 58.791 -1.468 1
1 38 . 9 1 1 A 9 9 LYS N N 9 127.577 125.817 1.760 1
1 39 . 9 1 1 A 10 10 SER H H 10 9.424 7.631 1.793 1
1 40 . 9 1 1 A 10 10 SER HA H 10 4.094 4.385 -0.291 1
1 41 . 9 1 1 A 10 10 SER CA C 10 59.187 59.960 -0.773 1
1 42 . 9 1 1 A 10 10 SER CB C 10 59.200 63.487 -4.287 1
1 43 . 9 1 1 A 10 10 SER N N 10 116.462 111.946 4.516 1
1 44 . 9 1 1 A 11 11 LYS H H 11 7.083 7.632 -0.549 1
1 45 . 9 1 1 A 11 11 LYS HA H 11 4.258 4.728 -0.470 1
1 46 . 9 1 1 A 11 11 LYS CA C 11 53.366 55.834 -2.468 1
1 47 . 9 1 1 A 11 11 LYS N N 11 117.002 120.169 -3.167 1
1 48 . 9 1 1 A 12 12 ASN H H 12 7.681 8.962 -1.281 1
1 49 . 9 1 1 A 12 12 ASN HA H 12 4.646 4.738 -0.092 1
1 50 . 9 1 1 A 12 12 ASN CA C 12 51.004 52.170 -1.166 1
1 51 . 9 1 1 A 12 12 ASN N N 12 120.475 125.082 -4.607 1
1 52 . 9 1 1 A 13 13 GLU H H 13 7.314 8.134 -0.820 1
1 53 . 9 1 1 A 13 13 GLU HA H 13 4.960 5.331 -0.371 1
1 54 . 9 1 1 A 13 13 GLU CA C 13 52.227 54.607 -2.380 1
1 55 . 9 1 1 A 13 13 GLU N N 13 114.791 118.392 -3.601 1
1 56 . 9 1 1 A 14 14 CYS H H 14 9.691 8.778 0.913 1
1 57 . 9 1 1 A 14 14 CYS HA H 14 4.738 4.591 0.147 1
1 58 . 9 1 1 A 14 14 CYS N N 14 123.353 121.850 1.503 1
1 59 . 9 1 1 A 15 15 LYS H H 15 8.714 9.033 -0.319 1
1 60 . 9 1 1 A 15 15 LYS HA H 15 5.015 4.424 0.591 1
1 61 . 9 1 1 A 15 15 LYS CA C 15 51.724 54.855 -3.131 1
1 62 . 9 1 1 A 15 15 LYS N N 15 130.540 121.016 9.524 1
1 63 . 9 1 1 A 16 16 TYR H H 16 9.038 8.819 0.219 1
1 64 . 9 1 1 A 16 16 TYR HA H 16 4.993 5.308 -0.315 1
1 65 . 9 1 1 A 16 16 TYR CA C 16 52.239 55.235 -2.996 1
1 66 . 9 1 1 A 16 16 TYR N N 16 126.577 119.220 7.357 1
1 67 . 9 1 1 A 17 17 LYS H H 17 8.453 8.809 -0.356 1
1 68 . 9 1 1 A 17 17 LYS HA H 17 4.504 4.705 -0.201 1
1 69 . 9 1 1 A 17 17 LYS CA C 17 51.878 54.452 -2.574 1
1 70 . 9 1 1 A 17 17 LYS N N 17 120.816 117.324 3.492 1
1 71 . 9 1 1 A 18 18 ASN H H 18 7.811 7.777 0.034 1
1 72 . 9 1 1 A 18 18 ASN HA H 18 4.181 4.967 -0.786 1
1 73 . 9 1 1 A 18 18 ASN CA C 18 48.245 51.105 -2.860 1
1 74 . 9 1 1 A 18 18 ASN N N 18 122.171 120.387 1.784 1
1 75 . 9 1 1 A 19 19 ASP H H 19 8.284 9.214 -0.930 1
1 76 . 9 1 1 A 19 19 ASP HA H 19 4.469 4.521 -0.052 1
1 77 . 9 1 1 A 19 19 ASP CA C 19 54.562 56.235 -1.673 1
1 78 . 9 1 1 A 19 19 ASP N N 19 117.497 118.774 -1.277 1
1 79 . 9 1 1 A 20 20 ALA H H 20 7.482 8.135 -0.653 1
1 80 . 9 1 1 A 20 20 ALA HA H 20 4.471 4.472 -0.001 1
1 81 . 9 1 1 A 20 20 ALA CA C 20 48.893 51.226 -2.333 1
1 82 . 9 1 1 A 20 20 ALA CB C 20 16.190 19.354 -3.164 1
1 83 . 9 1 1 A 20 20 ALA N N 20 120.920 119.452 1.468 1
1 84 . 9 1 1 A 21 21 GLY H H 21 8.229 7.976 0.253 1
1 85 . 9 1 1 A 21 21 GLY HA2 H 21 4.173 3.914 0.259 1
1 86 . 9 1 1 A 21 21 GLY HA3 H 21 4.173 3.932 0.241 1
1 87 . 9 1 1 A 21 21 GLY CA C 21 43.316 45.572 -2.256 1
1 88 . 9 1 1 A 21 21 GLY N N 21 107.360 106.408 0.952 1
1 89 . 9 1 1 A 22 22 LYS H H 22 7.721 7.479 0.242 1
1 90 . 9 1 1 A 22 22 LYS HA H 22 4.390 4.229 0.161 1
1 91 . 9 1 1 A 22 22 LYS CA C 22 51.822 55.746 -3.924 1
1 92 . 9 1 1 A 22 22 LYS N N 22 120.479 120.671 -0.192 1
1 93 . 9 1 1 A 23 23 ASP H H 23 8.641 8.505 0.136 1
1 94 . 9 1 1 A 23 23 ASP HA H 23 4.365 4.621 -0.256 1
1 95 . 9 1 1 A 23 23 ASP CA C 23 53.040 54.399 -1.359 1
1 96 . 9 1 1 A 23 23 ASP N N 23 126.541 124.012 2.529 1
1 97 . 9 1 1 A 24 24 THR H H 24 8.829 8.306 0.523 1
1 98 . 9 1 1 A 24 24 THR HA H 24 4.098 4.801 -0.703 1
1 99 . 9 1 1 A 24 24 THR CA C 24 59.221 60.973 -1.752 1
1 100 . 9 1 1 A 24 24 THR CB C 24 67.990 71.514 -3.524 1
1 101 . 9 1 1 A 24 24 THR N N 24 122.790 116.595 6.195 1
1 102 . 9 1 1 A 25 25 PHE H H 25 8.328 8.985 -0.657 1
1 103 . 9 1 1 A 25 25 PHE HA H 25 5.474 5.536 -0.062 1
1 104 . 9 1 1 A 25 25 PHE CA C 25 53.722 56.102 -2.380 1
1 105 . 9 1 1 A 25 25 PHE N N 25 122.281 124.233 -1.952 1
1 106 . 9 1 1 A 26 26 ILE H H 26 9.138 9.013 0.125 1
1 107 . 9 1 1 A 26 26 ILE HA H 26 4.671 4.992 -0.321 1
1 108 . 9 1 1 A 26 26 ILE CA C 26 57.078 59.674 -2.596 1
1 109 . 9 1 1 A 26 26 ILE N N 26 123.064 122.821 0.243 1
1 110 . 9 1 1 A 27 27 LYS H H 27 8.358 8.520 -0.162 1
1 111 . 9 1 1 A 27 27 LYS HA H 27 4.280 4.640 -0.360 1
1 112 . 9 1 1 A 27 27 LYS CA C 27 55.254 56.972 -1.718 1
1 113 . 9 1 1 A 27 27 LYS N N 27 127.092 127.263 -0.171 1
1 114 . 9 1 1 A 28 28 CYS H H 28 8.521 8.549 -0.028 1
1 115 . 9 1 1 A 28 28 CYS HA H 28 4.653 4.651 0.002 1
1 116 . 9 1 1 A 28 28 CYS CA C 28 54.049 58.178 -4.129 1
1 117 . 9 1 1 A 28 28 CYS N N 28 119.722 122.101 -2.379 1
1 118 . 9 1 1 A 29 29 PRO HA H 29 4.427 4.443 -0.016 1
1 119 . 9 1 1 A 29 29 PRO CA C 29 60.107 62.217 -2.110 1
1 120 . 9 1 1 A 30 30 LYS H H 30 8.055 8.121 -0.066 1
1 121 . 9 1 1 A 30 30 LYS HA H 30 4.048 4.621 -0.573 1
1 122 . 9 1 1 A 30 30 LYS CA C 30 53.665 55.174 -1.509 1
1 123 . 9 1 1 A 30 30 LYS N N 30 116.627 122.862 -6.235 1
1 124 . 9 1 1 A 31 31 PHE H H 31 6.526 7.473 -0.947 1
1 125 . 9 1 1 A 31 31 PHE HA H 31 4.608 4.748 -0.140 1
1 126 . 9 1 1 A 31 31 PHE CA C 31 54.082 57.230 -3.148 1
1 127 . 9 1 1 A 31 31 PHE N N 31 116.828 119.978 -3.150 1
1 128 . 9 1 1 A 32 32 ASP H H 32 8.809 8.511 0.298 1
1 129 . 9 1 1 A 32 32 ASP HA H 32 4.238 4.449 -0.211 1
1 130 . 9 1 1 A 32 32 ASP CA C 32 54.669 55.060 -0.391 1
1 131 . 9 1 1 A 32 32 ASP N N 32 121.542 122.742 -1.200 1
1 132 . 9 1 1 A 33 33 ASN H H 33 8.540 8.019 0.521 1
1 133 . 9 1 1 A 33 33 ASN HA H 33 4.636 5.108 -0.472 1
1 134 . 9 1 1 A 33 33 ASN CA C 33 51.706 54.722 -3.016 1
1 135 . 9 1 1 A 33 33 ASN N N 33 113.646 116.709 -3.063 1
1 136 . 9 1 1 A 34 34 LYS H H 34 7.737 7.542 0.195 1
1 137 . 9 1 1 A 34 34 LYS HA H 34 4.935 4.537 0.398 1
1 138 . 9 1 1 A 34 34 LYS CA C 34 52.839 55.761 -2.922 1
1 139 . 9 1 1 A 34 34 LYS N N 34 117.519 118.323 -0.804 1
1 140 . 9 1 1 A 35 35 LYS H H 35 6.969 7.743 -0.774 1
1 141 . 9 1 1 A 35 35 LYS HA H 35 4.601 4.432 0.169 1
1 142 . 9 1 1 A 35 35 LYS CA C 35 52.439 55.616 -3.177 1
1 143 . 9 1 1 A 35 35 LYS N N 35 116.846 117.835 -0.989 1
1 144 . 9 1 1 A 36 36 CYS H H 36 8.672 8.513 0.159 1
1 145 . 9 1 1 A 36 36 CYS HA H 36 4.781 4.409 0.372 1
1 146 . 9 1 1 A 36 36 CYS CA C 36 49.490 59.901 -10.411 1
1 147 . 9 1 1 A 36 36 CYS N N 36 118.220 120.068 -1.848 1
1 148 . 9 1 1 A 37 37 THR H H 37 10.153 8.555 1.598 1
1 149 . 9 1 1 A 37 37 THR HA H 37 4.287 4.654 -0.367 1
1 150 . 9 1 1 A 37 37 THR CA C 37 60.509 60.982 -0.473 1
1 151 . 9 1 1 A 37 37 THR CB C 37 68.160 69.622 -1.462 1
1 152 . 9 1 1 A 37 37 THR N N 37 121.911 118.519 3.392 1
1 153 . 9 1 1 A 38 38 LYS H H 38 7.346 7.542 -0.196 1
1 154 . 9 1 1 A 38 38 LYS HA H 38 4.235 4.586 -0.351 1
1 155 . 9 1 1 A 38 38 LYS CA C 38 54.060 55.470 -1.410 1
1 156 . 9 1 1 A 38 38 LYS N N 38 122.163 122.430 -0.267 1
1 157 . 9 1 1 A 39 39 ASP H H 39 8.827 8.811 0.016 1
1 158 . 9 1 1 A 39 39 ASP HA H 39 4.642 4.799 -0.157 1
1 159 . 9 1 1 A 39 39 ASP CA C 39 52.593 54.428 -1.835 1
1 160 . 9 1 1 A 39 39 ASP N N 39 124.992 121.025 3.967 1
1 161 . 9 1 1 A 40 40 ASN H H 40 9.522 8.945 0.577 1
1 162 . 9 1 1 A 40 40 ASN HA H 40 4.338 4.680 -0.342 1
1 163 . 9 1 1 A 40 40 ASN CA C 40 53.076 54.077 -1.001 1
1 164 . 9 1 1 A 40 40 ASN N N 40 114.854 120.219 -5.365 1
1 165 . 9 1 1 A 41 41 ASN H H 41 7.801 7.787 0.014 1
1 166 . 9 1 1 A 41 41 ASN HA H 41 4.779 4.769 0.010 1
1 167 . 9 1 1 A 41 41 ASN N N 41 120.270 116.212 4.058 1
1 168 . 9 1 1 A 42 42 LYS H H 42 8.529 7.609 0.920 1
1 169 . 9 1 1 A 42 42 LYS HA H 42 4.469 4.652 -0.183 1
1 170 . 9 1 1 A 42 42 LYS CA C 42 54.420 55.925 -1.505 1
1 171 . 9 1 1 A 42 42 LYS N N 42 119.707 114.804 4.903 1
1 172 . 9 1 1 A 43 43 CYS H H 43 7.612 8.382 -0.770 1
1 173 . 9 1 1 A 43 43 CYS HA H 43 5.440 5.024 0.416 1
1 174 . 9 1 1 A 43 43 CYS CA C 43 51.081 56.925 -5.844 1
1 175 . 9 1 1 A 43 43 CYS N N 43 113.820 121.678 -7.858 1
1 176 . 9 1 1 A 44 44 THR H H 44 9.039 8.494 0.545 1
1 177 . 9 1 1 A 44 44 THR HA H 44 5.322 5.148 0.174 1
1 178 . 9 1 1 A 44 44 THR CA C 44 57.334 60.204 -2.870 1
1 179 . 9 1 1 A 44 44 THR CB C 44 69.530 72.533 -3.003 1
1 180 . 9 1 1 A 44 44 THR N N 44 113.118 114.324 -1.206 1
1 181 . 9 1 1 A 45 45 VAL H H 45 8.647 8.673 -0.026 1
1 182 . 9 1 1 A 45 45 VAL HA H 45 4.544 4.912 -0.368 1
1 183 . 9 1 1 A 45 45 VAL CA C 45 58.290 60.460 -2.170 1
1 184 . 9 1 1 A 45 45 VAL N N 45 122.102 121.831 0.271 1
1 185 . 9 1 1 A 46 46 ASP H H 46 8.624 8.677 -0.053 1
1 186 . 9 1 1 A 46 46 ASP HA H 46 5.396 5.100 0.296 1
1 187 . 9 1 1 A 46 46 ASP CA C 46 49.354 52.776 -3.422 1
1 188 . 9 1 1 A 46 46 ASP N N 46 126.564 125.925 0.639 1
1 189 . 9 1 1 A 47 47 THR H H 47 9.122 8.474 0.648 1
1 190 . 9 1 1 A 47 47 THR HA H 47 4.274 4.439 -0.165 1
1 191 . 9 1 1 A 47 47 THR CA C 47 60.700 62.661 -1.961 1
1 192 . 9 1 1 A 47 47 THR CB C 47 66.440 70.040 -3.600 1
1 193 . 9 1 1 A 47 47 THR N N 47 114.486 113.416 1.070 1
1 194 . 9 1 1 A 48 48 TYR H H 48 8.834 8.236 0.598 1
1 195 . 9 1 1 A 48 48 TYR HA H 48 4.476 4.123 0.353 1
1 196 . 9 1 1 A 48 48 TYR CA C 48 57.699 61.916 -4.217 1
1 197 . 9 1 1 A 48 48 TYR N N 48 123.919 124.137 -0.218 1
1 198 . 9 1 1 A 49 49 ASN H H 49 7.563 7.987 -0.424 1
1 199 . 9 1 1 A 49 49 ASN HA H 49 4.569 4.814 -0.245 1
1 200 . 9 1 1 A 49 49 ASN CA C 49 49.441 51.919 -2.478 1
1 201 . 9 1 1 A 49 49 ASN N N 49 113.858 116.339 -2.481 1
1 202 . 9 1 1 A 50 50 ASN H H 50 7.915 8.136 -0.221 1
1 203 . 9 1 1 A 50 50 ASN HA H 50 4.288 4.488 -0.200 1
1 204 . 9 1 1 A 50 50 ASN CA C 50 51.746 53.910 -2.164 1
1 205 . 9 1 1 A 50 50 ASN N N 50 117.382 118.039 -0.657 1
1 206 . 9 1 1 A 51 51 ALA H H 51 7.904 7.831 0.073 1
1 207 . 9 1 1 A 51 51 ALA HA H 51 4.520 4.752 -0.232 1
1 208 . 9 1 1 A 51 51 ALA CA C 51 49.621 50.330 -0.709 1
1 209 . 9 1 1 A 51 51 ALA CB C 51 17.920 20.002 -2.082 1
1 210 . 9 1 1 A 51 51 ALA N N 51 121.152 119.482 1.670 1
1 211 . 9 1 1 A 52 52 VAL H H 52 8.317 9.062 -0.745 1
1 212 . 9 1 1 A 52 52 VAL HA H 52 4.956 5.087 -0.131 1
1 213 . 9 1 1 A 52 52 VAL CA C 52 58.076 60.932 -2.856 1
1 214 . 9 1 1 A 52 52 VAL N N 52 125.803 123.797 2.006 1
1 215 . 9 1 1 A 53 53 ASP H H 53 8.668 8.545 0.123 1
1 216 . 9 1 1 A 53 53 ASP HA H 53 4.944 5.341 -0.397 1
1 217 . 9 1 1 A 53 53 ASP CA C 53 50.581 52.254 -1.673 1
1 218 . 9 1 1 A 53 53 ASP N N 53 126.104 123.466 2.638 1
1 219 . 9 1 1 A 54 54 CYS H H 54 8.563 8.677 -0.114 1
1 220 . 9 1 1 A 54 54 CYS HA H 54 4.776 4.902 -0.126 1
1 221 . 9 1 1 A 54 54 CYS CA C 54 53.462 56.799 -3.337 1
1 222 . 9 1 1 A 54 54 CYS N N 54 123.741 116.218 7.523 1
1 4 . 10 1 1 A 2 2 LYS H H 2 8.219 8.023 0.196 1
1 5 . 10 1 1 A 2 2 LYS HA H 2 5.318 4.600 0.718 1
1 6 . 10 1 1 A 2 2 LYS CA C 2 52.348 54.300 -1.952 1
1 7 . 10 1 1 A 2 2 LYS N N 2 120.076 116.458 3.618 1
1 8 . 10 1 1 A 3 3 TYR H H 3 8.999 8.348 0.651 1
1 9 . 10 1 1 A 3 3 TYR HA H 3 4.883 5.170 -0.287 1
1 10 . 10 1 1 A 3 3 TYR CA C 3 53.848 56.116 -2.268 1
1 11 . 10 1 1 A 3 3 TYR N N 3 122.800 117.900 4.900 1
1 12 . 10 1 1 A 4 4 THR H H 4 8.885 8.592 0.293 1
1 13 . 10 1 1 A 4 4 THR HA H 4 5.117 5.065 0.052 1
1 14 . 10 1 1 A 4 4 THR CA C 4 58.871 60.924 -2.053 1
1 15 . 10 1 1 A 4 4 THR CB C 4 67.850 72.238 -4.388 1
1 16 . 10 1 1 A 4 4 THR N N 4 117.092 116.144 0.948 1
1 17 . 10 1 1 A 5 5 GLY H H 5 9.159 7.856 1.303 1
1 18 . 10 1 1 A 5 5 GLY HA2 H 5 4.075 4.282 -0.207 1
1 19 . 10 1 1 A 5 5 GLY HA3 H 5 4.075 4.294 -0.219 1
1 20 . 10 1 1 A 5 5 GLY CA C 5 42.597 46.206 -3.609 1
1 21 . 10 1 1 A 5 5 GLY N N 5 115.357 111.147 4.210 1
1 22 . 10 1 1 A 6 6 LYS H H 6 8.495 8.374 0.121 1
1 23 . 10 1 1 A 6 6 LYS HA H 6 5.460 5.165 0.295 1
1 24 . 10 1 1 A 6 6 LYS CA C 6 51.686 54.502 -2.816 1
1 25 . 10 1 1 A 6 6 LYS N N 6 121.225 120.586 0.639 1
1 26 . 10 1 1 A 7 7 CYS H H 7 9.847 9.048 0.799 1
1 27 . 10 1 1 A 7 7 CYS HA H 7 6.406 5.642 0.764 1
1 28 . 10 1 1 A 7 7 CYS CA C 7 50.542 56.703 -6.161 1
1 29 . 10 1 1 A 7 7 CYS N N 7 122.602 118.065 4.537 1
1 30 . 10 1 1 A 8 8 THR H H 8 8.726 8.172 0.554 1
1 31 . 10 1 1 A 8 8 THR HA H 8 4.793 4.869 -0.076 1
1 32 . 10 1 1 A 8 8 THR CA C 8 57.418 59.520 -2.102 1
1 33 . 10 1 1 A 8 8 THR CB C 8 68.450 71.976 -3.526 1
1 34 . 10 1 1 A 8 8 THR N N 8 113.380 113.086 0.294 1
1 35 . 10 1 1 A 9 9 LYS H H 9 8.993 8.967 0.026 1
1 36 . 10 1 1 A 9 9 LYS HA H 9 3.627 4.007 -0.380 1
1 37 . 10 1 1 A 9 9 LYS CA C 9 57.323 60.209 -2.886 1
1 38 . 10 1 1 A 9 9 LYS N N 9 127.577 121.821 5.756 1
1 39 . 10 1 1 A 10 10 SER H H 10 9.424 7.756 1.668 1
1 40 . 10 1 1 A 10 10 SER HA H 10 4.094 4.300 -0.206 1
1 41 . 10 1 1 A 10 10 SER CA C 10 59.187 60.558 -1.371 1
1 42 . 10 1 1 A 10 10 SER CB C 10 59.200 63.319 -4.119 1
1 43 . 10 1 1 A 10 10 SER N N 10 116.462 112.853 3.609 1
1 44 . 10 1 1 A 11 11 LYS H H 11 7.083 7.396 -0.313 1
1 45 . 10 1 1 A 11 11 LYS HA H 11 4.258 4.610 -0.352 1
1 46 . 10 1 1 A 11 11 LYS CA C 11 53.366 55.989 -2.623 1
1 47 . 10 1 1 A 11 11 LYS N N 11 117.002 120.433 -3.431 1
1 48 . 10 1 1 A 12 12 ASN H H 12 7.681 8.856 -1.175 1
1 49 . 10 1 1 A 12 12 ASN HA H 12 4.646 4.774 -0.128 1
1 50 . 10 1 1 A 12 12 ASN CA C 12 51.004 52.223 -1.219 1
1 51 . 10 1 1 A 12 12 ASN N N 12 120.475 124.049 -3.574 1
1 52 . 10 1 1 A 13 13 GLU H H 13 7.314 7.957 -0.643 1
1 53 . 10 1 1 A 13 13 GLU HA H 13 4.960 5.074 -0.114 1
1 54 . 10 1 1 A 13 13 GLU CA C 13 52.227 54.798 -2.571 1
1 55 . 10 1 1 A 13 13 GLU N N 13 114.791 120.148 -5.357 1
1 56 . 10 1 1 A 14 14 CYS H H 14 9.691 9.376 0.315 1
1 57 . 10 1 1 A 14 14 CYS HA H 14 4.738 4.575 0.163 1
1 58 . 10 1 1 A 14 14 CYS N N 14 123.353 122.837 0.516 1
1 59 . 10 1 1 A 15 15 LYS H H 15 8.714 7.968 0.746 1
1 60 . 10 1 1 A 15 15 LYS HA H 15 5.015 4.026 0.989 1
1 61 . 10 1 1 A 15 15 LYS CA C 15 51.724 55.890 -4.166 1
1 62 . 10 1 1 A 15 15 LYS N N 15 130.540 122.553 7.987 1
1 63 . 10 1 1 A 16 16 TYR H H 16 9.038 8.234 0.804 1
1 64 . 10 1 1 A 16 16 TYR HA H 16 4.993 5.262 -0.269 1
1 65 . 10 1 1 A 16 16 TYR CA C 16 52.239 55.264 -3.025 1
1 66 . 10 1 1 A 16 16 TYR N N 16 126.577 118.736 7.841 1
1 67 . 10 1 1 A 17 17 LYS H H 17 8.453 8.948 -0.495 1
1 68 . 10 1 1 A 17 17 LYS HA H 17 4.504 5.010 -0.506 1
1 69 . 10 1 1 A 17 17 LYS CA C 17 51.878 54.257 -2.379 1
1 70 . 10 1 1 A 17 17 LYS N N 17 120.816 116.702 4.114 1
1 71 . 10 1 1 A 18 18 ASN H H 18 7.811 7.981 -0.170 1
1 72 . 10 1 1 A 18 18 ASN HA H 18 4.181 5.266 -1.085 1
1 73 . 10 1 1 A 18 18 ASN CA C 18 48.245 51.064 -2.819 1
1 74 . 10 1 1 A 18 18 ASN N N 18 122.171 120.154 2.017 1
1 75 . 10 1 1 A 19 19 ASP H H 19 8.284 9.257 -0.973 1
1 76 . 10 1 1 A 19 19 ASP HA H 19 4.469 4.521 -0.052 1
1 77 . 10 1 1 A 19 19 ASP CA C 19 54.562 56.225 -1.663 1
1 78 . 10 1 1 A 19 19 ASP N N 19 117.497 118.650 -1.153 1
1 79 . 10 1 1 A 20 20 ALA H H 20 7.482 8.084 -0.602 1
1 80 . 10 1 1 A 20 20 ALA HA H 20 4.471 4.455 0.016 1
1 81 . 10 1 1 A 20 20 ALA CA C 20 48.893 51.437 -2.544 1
1 82 . 10 1 1 A 20 20 ALA CB C 20 16.190 18.915 -2.725 1
1 83 . 10 1 1 A 20 20 ALA N N 20 120.920 119.775 1.145 1
1 84 . 10 1 1 A 21 21 GLY H H 21 8.229 8.027 0.202 1
1 85 . 10 1 1 A 21 21 GLY HA2 H 21 4.173 3.884 0.289 1
1 86 . 10 1 1 A 21 21 GLY HA3 H 21 4.173 3.897 0.276 1
1 87 . 10 1 1 A 21 21 GLY CA C 21 43.316 45.698 -2.382 1
1 88 . 10 1 1 A 21 21 GLY N N 21 107.360 105.263 2.097 1
1 89 . 10 1 1 A 22 22 LYS H H 22 7.721 7.547 0.174 1
1 90 . 10 1 1 A 22 22 LYS HA H 22 4.390 4.273 0.117 1
1 91 . 10 1 1 A 22 22 LYS CA C 22 51.822 55.490 -3.668 1
1 92 . 10 1 1 A 22 22 LYS N N 22 120.479 121.296 -0.817 1
1 93 . 10 1 1 A 23 23 ASP H H 23 8.641 8.425 0.216 1
1 94 . 10 1 1 A 23 23 ASP HA H 23 4.365 4.381 -0.016 1
1 95 . 10 1 1 A 23 23 ASP CA C 23 53.040 54.465 -1.425 1
1 96 . 10 1 1 A 23 23 ASP N N 23 126.541 126.584 -0.043 1
1 97 . 10 1 1 A 24 24 THR H H 24 8.829 7.920 0.909 1
1 98 . 10 1 1 A 24 24 THR HA H 24 4.098 4.734 -0.636 1
1 99 . 10 1 1 A 24 24 THR CA C 24 59.221 60.647 -1.426 1
1 100 . 10 1 1 A 24 24 THR CB C 24 67.990 70.998 -3.008 1
1 101 . 10 1 1 A 24 24 THR N N 24 122.790 118.882 3.908 1
1 102 . 10 1 1 A 25 25 PHE H H 25 8.328 8.943 -0.615 1
1 103 . 10 1 1 A 25 25 PHE HA H 25 5.474 5.505 -0.031 1
1 104 . 10 1 1 A 25 25 PHE CA C 25 53.722 56.254 -2.532 1
1 105 . 10 1 1 A 25 25 PHE N N 25 122.281 124.477 -2.196 1
1 106 . 10 1 1 A 26 26 ILE H H 26 9.138 8.553 0.585 1
1 107 . 10 1 1 A 26 26 ILE HA H 26 4.671 4.795 -0.124 1
1 108 . 10 1 1 A 26 26 ILE CA C 26 57.078 60.081 -3.003 1
1 109 . 10 1 1 A 26 26 ILE N N 26 123.064 122.872 0.192 1
1 110 . 10 1 1 A 27 27 LYS H H 27 8.358 8.395 -0.037 1
1 111 . 10 1 1 A 27 27 LYS HA H 27 4.280 4.149 0.131 1
1 112 . 10 1 1 A 27 27 LYS CA C 27 55.254 56.656 -1.402 1
1 113 . 10 1 1 A 27 27 LYS N N 27 127.092 124.727 2.365 1
1 114 . 10 1 1 A 28 28 CYS H H 28 8.521 8.994 -0.473 1
1 115 . 10 1 1 A 28 28 CYS HA H 28 4.653 4.901 -0.248 1
1 116 . 10 1 1 A 28 28 CYS CA C 28 54.049 57.234 -3.185 1
1 117 . 10 1 1 A 28 28 CYS N N 28 119.722 122.101 -2.379 1
1 118 . 10 1 1 A 29 29 PRO HA H 29 4.427 4.179 0.248 1
1 119 . 10 1 1 A 29 29 PRO CA C 29 60.107 62.480 -2.373 1
1 120 . 10 1 1 A 30 30 LYS H H 30 8.055 7.542 0.513 1
1 121 . 10 1 1 A 30 30 LYS HA H 30 4.048 4.547 -0.499 1
1 122 . 10 1 1 A 30 30 LYS CA C 30 53.665 55.188 -1.523 1
1 123 . 10 1 1 A 30 30 LYS N N 30 116.627 116.001 0.626 1
1 124 . 10 1 1 A 31 31 PHE H H 31 6.526 7.385 -0.859 1
1 125 . 10 1 1 A 31 31 PHE HA H 31 4.608 4.796 -0.188 1
1 126 . 10 1 1 A 31 31 PHE CA C 31 54.082 56.557 -2.475 1
1 127 . 10 1 1 A 31 31 PHE N N 31 116.828 122.589 -5.761 1
1 128 . 10 1 1 A 32 32 ASP H H 32 8.809 8.517 0.292 1
1 129 . 10 1 1 A 32 32 ASP HA H 32 4.238 4.425 -0.187 1
1 130 . 10 1 1 A 32 32 ASP CA C 32 54.669 55.073 -0.404 1
1 131 . 10 1 1 A 32 32 ASP N N 32 121.542 121.347 0.195 1
1 132 . 10 1 1 A 33 33 ASN H H 33 8.540 8.056 0.484 1
1 133 . 10 1 1 A 33 33 ASN HA H 33 4.636 5.094 -0.458 1
1 134 . 10 1 1 A 33 33 ASN CA C 33 51.706 54.477 -2.771 1
1 135 . 10 1 1 A 33 33 ASN N N 33 113.646 116.851 -3.205 1
1 136 . 10 1 1 A 34 34 LYS H H 34 7.737 7.535 0.202 1
1 137 . 10 1 1 A 34 34 LYS HA H 34 4.935 4.617 0.318 1
1 138 . 10 1 1 A 34 34 LYS CA C 34 52.839 55.437 -2.598 1
1 139 . 10 1 1 A 34 34 LYS N N 34 117.519 116.506 1.013 1
1 140 . 10 1 1 A 35 35 LYS H H 35 6.969 8.496 -1.527 1
1 141 . 10 1 1 A 35 35 LYS HA H 35 4.601 4.367 0.234 1
1 142 . 10 1 1 A 35 35 LYS CA C 35 52.439 56.375 -3.936 1
1 143 . 10 1 1 A 35 35 LYS N N 35 116.846 123.347 -6.501 1
1 144 . 10 1 1 A 36 36 CYS H H 36 8.672 8.492 0.180 1
1 145 . 10 1 1 A 36 36 CYS HA H 36 4.781 4.483 0.298 1
1 146 . 10 1 1 A 36 36 CYS CA C 36 49.490 59.742 -10.252 1
1 147 . 10 1 1 A 36 36 CYS N N 36 118.220 123.263 -5.043 1
1 148 . 10 1 1 A 37 37 THR H H 37 10.153 8.538 1.615 1
1 149 . 10 1 1 A 37 37 THR HA H 37 4.287 4.662 -0.375 1
1 150 . 10 1 1 A 37 37 THR CA C 37 60.509 60.746 -0.237 1
1 151 . 10 1 1 A 37 37 THR CB C 37 68.160 69.078 -0.918 1
1 152 . 10 1 1 A 37 37 THR N N 37 121.911 113.003 8.908 1
1 153 . 10 1 1 A 38 38 LYS H H 38 7.346 7.478 -0.132 1
1 154 . 10 1 1 A 38 38 LYS HA H 38 4.235 4.557 -0.322 1
1 155 . 10 1 1 A 38 38 LYS CA C 38 54.060 56.078 -2.018 1
1 156 . 10 1 1 A 38 38 LYS N N 38 122.163 121.926 0.237 1
1 157 . 10 1 1 A 39 39 ASP H H 39 8.827 8.669 0.158 1
1 158 . 10 1 1 A 39 39 ASP HA H 39 4.642 4.272 0.370 1
1 159 . 10 1 1 A 39 39 ASP CA C 39 52.593 55.746 -3.153 1
1 160 . 10 1 1 A 39 39 ASP N N 39 124.992 124.813 0.179 1
1 161 . 10 1 1 A 40 40 ASN H H 40 9.522 9.087 0.435 1
1 162 . 10 1 1 A 40 40 ASN HA H 40 4.338 4.334 0.004 1
1 163 . 10 1 1 A 40 40 ASN CA C 40 53.076 54.304 -1.228 1
1 164 . 10 1 1 A 40 40 ASN N N 40 114.854 119.347 -4.493 1
1 165 . 10 1 1 A 41 41 ASN H H 41 7.801 7.902 -0.101 1
1 166 . 10 1 1 A 41 41 ASN HA H 41 4.779 4.739 0.040 1
1 167 . 10 1 1 A 41 41 ASN N N 41 120.270 115.933 4.337 1
1 168 . 10 1 1 A 42 42 LYS H H 42 8.529 7.602 0.927 1
1 169 . 10 1 1 A 42 42 LYS HA H 42 4.469 4.649 -0.180 1
1 170 . 10 1 1 A 42 42 LYS CA C 42 54.420 55.898 -1.478 1
1 171 . 10 1 1 A 42 42 LYS N N 42 119.707 114.773 4.934 1
1 172 . 10 1 1 A 43 43 CYS H H 43 7.612 8.235 -0.623 1
1 173 . 10 1 1 A 43 43 CYS HA H 43 5.440 5.095 0.345 1
1 174 . 10 1 1 A 43 43 CYS CA C 43 51.081 57.201 -6.120 1
1 175 . 10 1 1 A 43 43 CYS N N 43 113.820 121.414 -7.594 1
1 176 . 10 1 1 A 44 44 THR H H 44 9.039 8.521 0.518 1
1 177 . 10 1 1 A 44 44 THR HA H 44 5.322 5.152 0.170 1
1 178 . 10 1 1 A 44 44 THR CA C 44 57.334 59.658 -2.324 1
1 179 . 10 1 1 A 44 44 THR CB C 44 69.530 72.197 -2.667 1
1 180 . 10 1 1 A 44 44 THR N N 44 113.118 112.700 0.418 1
1 181 . 10 1 1 A 45 45 VAL H H 45 8.647 8.192 0.455 1
1 182 . 10 1 1 A 45 45 VAL HA H 45 4.544 5.000 -0.456 1
1 183 . 10 1 1 A 45 45 VAL CA C 45 58.290 60.727 -2.437 1
1 184 . 10 1 1 A 45 45 VAL N N 45 122.102 121.057 1.045 1
1 185 . 10 1 1 A 46 46 ASP H H 46 8.624 8.727 -0.103 1
1 186 . 10 1 1 A 46 46 ASP HA H 46 5.396 5.094 0.302 1
1 187 . 10 1 1 A 46 46 ASP CA C 46 49.354 52.715 -3.361 1
1 188 . 10 1 1 A 46 46 ASP N N 46 126.564 126.711 -0.147 1
1 189 . 10 1 1 A 47 47 THR H H 47 9.122 8.085 1.037 1
1 190 . 10 1 1 A 47 47 THR HA H 47 4.274 4.526 -0.252 1
1 191 . 10 1 1 A 47 47 THR CA C 47 60.700 62.760 -2.060 1
1 192 . 10 1 1 A 47 47 THR CB C 47 66.440 69.573 -3.133 1
1 193 . 10 1 1 A 47 47 THR N N 47 114.486 115.849 -1.363 1
1 194 . 10 1 1 A 48 48 TYR H H 48 8.834 8.418 0.416 1
1 195 . 10 1 1 A 48 48 TYR HA H 48 4.476 4.134 0.342 1
1 196 . 10 1 1 A 48 48 TYR CA C 48 57.699 61.922 -4.223 1
1 197 . 10 1 1 A 48 48 TYR N N 48 123.919 123.797 0.122 1
1 198 . 10 1 1 A 49 49 ASN H H 49 7.563 7.725 -0.162 1
1 199 . 10 1 1 A 49 49 ASN HA H 49 4.569 4.835 -0.266 1
1 200 . 10 1 1 A 49 49 ASN CA C 49 49.441 51.861 -2.420 1
1 201 . 10 1 1 A 49 49 ASN N N 49 113.858 113.487 0.371 1
1 202 . 10 1 1 A 50 50 ASN H H 50 7.915 8.196 -0.281 1
1 203 . 10 1 1 A 50 50 ASN HA H 50 4.288 4.425 -0.137 1
1 204 . 10 1 1 A 50 50 ASN CA C 50 51.746 53.955 -2.209 1
1 205 . 10 1 1 A 50 50 ASN N N 50 117.382 116.139 1.243 1
1 206 . 10 1 1 A 51 51 ALA H H 51 7.904 7.584 0.320 1
1 207 . 10 1 1 A 51 51 ALA HA H 51 4.520 4.763 -0.243 1
1 208 . 10 1 1 A 51 51 ALA CA C 51 49.621 51.294 -1.673 1
1 209 . 10 1 1 A 51 51 ALA CB C 51 17.920 20.530 -2.610 1
1 210 . 10 1 1 A 51 51 ALA N N 51 121.152 119.660 1.492 1
1 211 . 10 1 1 A 52 52 VAL H H 52 8.317 8.650 -0.333 1
1 212 . 10 1 1 A 52 52 VAL HA H 52 4.956 4.602 0.354 1
1 213 . 10 1 1 A 52 52 VAL CA C 52 58.076 61.085 -3.009 1
1 214 . 10 1 1 A 52 52 VAL N N 52 125.803 121.875 3.928 1
1 215 . 10 1 1 A 53 53 ASP H H 53 8.668 8.919 -0.251 1
1 216 . 10 1 1 A 53 53 ASP HA H 53 4.944 5.219 -0.275 1
1 217 . 10 1 1 A 53 53 ASP CA C 53 50.581 52.800 -2.219 1
1 218 . 10 1 1 A 53 53 ASP N N 53 126.104 125.617 0.487 1
1 219 . 10 1 1 A 54 54 CYS H H 54 8.563 8.464 0.099 1
1 220 . 10 1 1 A 54 54 CYS HA H 54 4.776 5.028 -0.252 1
1 221 . 10 1 1 A 54 54 CYS CA C 54 53.462 56.417 -2.955 1
1 222 . 10 1 1 A 54 54 CYS N N 54 123.741 117.154 6.587 1
1 4 . 11 1 1 A 2 2 LYS H H 2 8.219 8.047 0.172 1
1 5 . 11 1 1 A 2 2 LYS HA H 2 5.318 4.613 0.705 1
1 6 . 11 1 1 A 2 2 LYS CA C 2 52.348 54.292 -1.944 1
1 7 . 11 1 1 A 2 2 LYS N N 2 120.076 116.416 3.660 1
1 8 . 11 1 1 A 3 3 TYR H H 3 8.999 8.772 0.227 1
1 9 . 11 1 1 A 3 3 TYR HA H 3 4.883 5.108 -0.225 1
1 10 . 11 1 1 A 3 3 TYR CA C 3 53.848 56.661 -2.813 1
1 11 . 11 1 1 A 3 3 TYR N N 3 122.800 117.729 5.071 1
1 12 . 11 1 1 A 4 4 THR H H 4 8.885 9.142 -0.257 1
1 13 . 11 1 1 A 4 4 THR HA H 4 5.117 5.099 0.018 1
1 14 . 11 1 1 A 4 4 THR CA C 4 58.871 60.397 -1.526 1
1 15 . 11 1 1 A 4 4 THR CB C 4 67.850 71.230 -3.380 1
1 16 . 11 1 1 A 4 4 THR N N 4 117.092 119.163 -2.071 1
1 17 . 11 1 1 A 5 5 GLY H H 5 9.159 8.303 0.856 1
1 18 . 11 1 1 A 5 5 GLY HA2 H 5 4.075 4.393 -0.318 1
1 19 . 11 1 1 A 5 5 GLY HA3 H 5 4.075 4.413 -0.338 1
1 20 . 11 1 1 A 5 5 GLY CA C 5 42.597 46.011 -3.414 1
1 21 . 11 1 1 A 5 5 GLY N N 5 115.357 113.737 1.620 1
1 22 . 11 1 1 A 6 6 LYS H H 6 8.495 7.939 0.556 1
1 23 . 11 1 1 A 6 6 LYS HA H 6 5.460 5.132 0.328 1
1 24 . 11 1 1 A 6 6 LYS CA C 6 51.686 54.453 -2.767 1
1 25 . 11 1 1 A 6 6 LYS N N 6 121.225 120.548 0.677 1
1 26 . 11 1 1 A 7 7 CYS H H 7 9.847 8.732 1.115 1
1 27 . 11 1 1 A 7 7 CYS HA H 7 6.406 5.289 1.117 1
1 28 . 11 1 1 A 7 7 CYS CA C 7 50.542 57.552 -7.010 1
1 29 . 11 1 1 A 7 7 CYS N N 7 122.602 119.311 3.291 1
1 30 . 11 1 1 A 8 8 THR H H 8 8.726 8.540 0.186 1
1 31 . 11 1 1 A 8 8 THR HA H 8 4.793 5.098 -0.305 1
1 32 . 11 1 1 A 8 8 THR CA C 8 57.418 60.156 -2.738 1
1 33 . 11 1 1 A 8 8 THR CB C 8 68.450 71.567 -3.117 1
1 34 . 11 1 1 A 8 8 THR N N 8 113.380 115.180 -1.800 1
1 35 . 11 1 1 A 9 9 LYS H H 9 8.993 9.117 -0.124 1
1 36 . 11 1 1 A 9 9 LYS HA H 9 3.627 4.005 -0.378 1
1 37 . 11 1 1 A 9 9 LYS CA C 9 57.323 60.052 -2.729 1
1 38 . 11 1 1 A 9 9 LYS N N 9 127.577 129.099 -1.522 1
1 39 . 11 1 1 A 10 10 SER H H 10 9.424 7.555 1.869 1
1 40 . 11 1 1 A 10 10 SER HA H 10 4.094 4.259 -0.165 1
1 41 . 11 1 1 A 10 10 SER CA C 10 59.187 60.686 -1.499 1
1 42 . 11 1 1 A 10 10 SER CB C 10 59.200 63.144 -3.944 1
1 43 . 11 1 1 A 10 10 SER N N 10 116.462 113.168 3.294 1
1 44 . 11 1 1 A 11 11 LYS H H 11 7.083 7.901 -0.818 1
1 45 . 11 1 1 A 11 11 LYS HA H 11 4.258 4.570 -0.312 1
1 46 . 11 1 1 A 11 11 LYS CA C 11 53.366 55.960 -2.594 1
1 47 . 11 1 1 A 11 11 LYS N N 11 117.002 120.350 -3.348 1
1 48 . 11 1 1 A 12 12 ASN H H 12 7.681 8.800 -1.119 1
1 49 . 11 1 1 A 12 12 ASN HA H 12 4.646 4.786 -0.140 1
1 50 . 11 1 1 A 12 12 ASN CA C 12 51.004 52.312 -1.308 1
1 51 . 11 1 1 A 12 12 ASN N N 12 120.475 124.299 -3.824 1
1 52 . 11 1 1 A 13 13 GLU H H 13 7.314 8.132 -0.818 1
1 53 . 11 1 1 A 13 13 GLU HA H 13 4.960 5.011 -0.051 1
1 54 . 11 1 1 A 13 13 GLU CA C 13 52.227 54.450 -2.223 1
1 55 . 11 1 1 A 13 13 GLU N N 13 114.791 120.311 -5.520 1
1 56 . 11 1 1 A 14 14 CYS H H 14 9.691 8.902 0.789 1
1 57 . 11 1 1 A 14 14 CYS HA H 14 4.738 4.468 0.270 1
1 58 . 11 1 1 A 14 14 CYS N N 14 123.353 122.281 1.072 1
1 59 . 11 1 1 A 15 15 LYS H H 15 8.714 8.450 0.264 1
1 60 . 11 1 1 A 15 15 LYS HA H 15 5.015 4.735 0.280 1
1 61 . 11 1 1 A 15 15 LYS CA C 15 51.724 54.946 -3.222 1
1 62 . 11 1 1 A 15 15 LYS N N 15 130.540 127.161 3.379 1
1 63 . 11 1 1 A 16 16 TYR H H 16 9.038 8.459 0.579 1
1 64 . 11 1 1 A 16 16 TYR HA H 16 4.993 5.315 -0.322 1
1 65 . 11 1 1 A 16 16 TYR CA C 16 52.239 55.298 -3.059 1
1 66 . 11 1 1 A 16 16 TYR N N 16 126.577 124.189 2.388 1
1 67 . 11 1 1 A 17 17 LYS H H 17 8.453 8.730 -0.277 1
1 68 . 11 1 1 A 17 17 LYS HA H 17 4.504 4.964 -0.460 1
1 69 . 11 1 1 A 17 17 LYS CA C 17 51.878 54.775 -2.897 1
1 70 . 11 1 1 A 17 17 LYS N N 17 120.816 119.315 1.501 1
1 71 . 11 1 1 A 18 18 ASN H H 18 7.811 8.529 -0.718 1
1 72 . 11 1 1 A 18 18 ASN HA H 18 4.181 5.216 -1.035 1
1 73 . 11 1 1 A 18 18 ASN CA C 18 48.245 51.082 -2.837 1
1 74 . 11 1 1 A 18 18 ASN N N 18 122.171 122.341 -0.170 1
1 75 . 11 1 1 A 19 19 ASP H H 19 8.284 9.179 -0.895 1
1 76 . 11 1 1 A 19 19 ASP HA H 19 4.469 4.484 -0.015 1
1 77 . 11 1 1 A 19 19 ASP CA C 19 54.562 56.257 -1.695 1
1 78 . 11 1 1 A 19 19 ASP N N 19 117.497 118.507 -1.010 1
1 79 . 11 1 1 A 20 20 ALA H H 20 7.482 8.096 -0.614 1
1 80 . 11 1 1 A 20 20 ALA HA H 20 4.471 4.450 0.021 1
1 81 . 11 1 1 A 20 20 ALA CA C 20 48.893 51.220 -2.327 1
1 82 . 11 1 1 A 20 20 ALA CB C 20 16.190 19.495 -3.305 1
1 83 . 11 1 1 A 20 20 ALA N N 20 120.920 118.959 1.961 1
1 84 . 11 1 1 A 21 21 GLY H H 21 8.229 7.919 0.310 1
1 85 . 11 1 1 A 21 21 GLY HA2 H 21 4.173 4.012 0.161 1
1 86 . 11 1 1 A 21 21 GLY HA3 H 21 4.173 4.019 0.154 1
1 87 . 11 1 1 A 21 21 GLY CA C 21 43.316 45.211 -1.895 1
1 88 . 11 1 1 A 21 21 GLY N N 21 107.360 106.041 1.319 1
1 89 . 11 1 1 A 22 22 LYS H H 22 7.721 7.694 0.027 1
1 90 . 11 1 1 A 22 22 LYS HA H 22 4.390 4.251 0.139 1
1 91 . 11 1 1 A 22 22 LYS CA C 22 51.822 55.335 -3.513 1
1 92 . 11 1 1 A 22 22 LYS N N 22 120.479 120.524 -0.045 1
1 93 . 11 1 1 A 23 23 ASP H H 23 8.641 8.458 0.183 1
1 94 . 11 1 1 A 23 23 ASP HA H 23 4.365 4.239 0.126 1
1 95 . 11 1 1 A 23 23 ASP CA C 23 53.040 54.382 -1.342 1
1 96 . 11 1 1 A 23 23 ASP N N 23 126.541 124.688 1.853 1
1 97 . 11 1 1 A 24 24 THR H H 24 8.829 8.351 0.478 1
1 98 . 11 1 1 A 24 24 THR HA H 24 4.098 4.860 -0.762 1
1 99 . 11 1 1 A 24 24 THR CA C 24 59.221 60.248 -1.027 1
1 100 . 11 1 1 A 24 24 THR CB C 24 67.990 71.283 -3.293 1
1 101 . 11 1 1 A 24 24 THR N N 24 122.790 117.798 4.992 1
1 102 . 11 1 1 A 25 25 PHE H H 25 8.328 8.809 -0.481 1
1 103 . 11 1 1 A 25 25 PHE HA H 25 5.474 5.571 -0.097 1
1 104 . 11 1 1 A 25 25 PHE CA C 25 53.722 56.019 -2.297 1
1 105 . 11 1 1 A 25 25 PHE N N 25 122.281 123.247 -0.966 1
1 106 . 11 1 1 A 26 26 ILE H H 26 9.138 8.805 0.333 1
1 107 . 11 1 1 A 26 26 ILE HA H 26 4.671 4.504 0.167 1
1 108 . 11 1 1 A 26 26 ILE CA C 26 57.078 60.388 -3.310 1
1 109 . 11 1 1 A 26 26 ILE N N 26 123.064 121.697 1.367 1
1 110 . 11 1 1 A 27 27 LYS H H 27 8.358 8.134 0.224 1
1 111 . 11 1 1 A 27 27 LYS HA H 27 4.280 4.392 -0.112 1
1 112 . 11 1 1 A 27 27 LYS CA C 27 55.254 56.335 -1.081 1
1 113 . 11 1 1 A 27 27 LYS N N 27 127.092 123.660 3.432 1
1 114 . 11 1 1 A 28 28 CYS H H 28 8.521 8.213 0.308 1
1 115 . 11 1 1 A 28 28 CYS HA H 28 4.653 4.896 -0.243 1
1 116 . 11 1 1 A 28 28 CYS CA C 28 54.049 56.742 -2.693 1
1 117 . 11 1 1 A 28 28 CYS N N 28 119.722 119.016 0.706 1
1 118 . 11 1 1 A 29 29 PRO HA H 29 4.427 4.503 -0.076 1
1 119 . 11 1 1 A 29 29 PRO CA C 29 60.107 62.275 -2.168 1
1 120 . 11 1 1 A 30 30 LYS H H 30 8.055 7.732 0.323 1
1 121 . 11 1 1 A 30 30 LYS HA H 30 4.048 4.654 -0.606 1
1 122 . 11 1 1 A 30 30 LYS CA C 30 53.665 55.112 -1.447 1
1 123 . 11 1 1 A 30 30 LYS N N 30 116.627 122.987 -6.360 1
1 124 . 11 1 1 A 31 31 PHE H H 31 6.526 8.133 -1.607 1
1 125 . 11 1 1 A 31 31 PHE HA H 31 4.608 4.783 -0.175 1
1 126 . 11 1 1 A 31 31 PHE CA C 31 54.082 56.820 -2.738 1
1 127 . 11 1 1 A 31 31 PHE N N 31 116.828 123.215 -6.387 1
1 128 . 11 1 1 A 32 32 ASP H H 32 8.809 8.915 -0.106 1
1 129 . 11 1 1 A 32 32 ASP HA H 32 4.238 4.262 -0.024 1
1 130 . 11 1 1 A 32 32 ASP CA C 32 54.669 55.218 -0.549 1
1 131 . 11 1 1 A 32 32 ASP N N 32 121.542 124.807 -3.265 1
1 132 . 11 1 1 A 33 33 ASN H H 33 8.540 8.069 0.471 1
1 133 . 11 1 1 A 33 33 ASN HA H 33 4.636 5.006 -0.370 1
1 134 . 11 1 1 A 33 33 ASN CA C 33 51.706 54.203 -2.497 1
1 135 . 11 1 1 A 33 33 ASN N N 33 113.646 119.979 -6.333 1
1 136 . 11 1 1 A 34 34 LYS H H 34 7.737 7.573 0.164 1
1 137 . 11 1 1 A 34 34 LYS HA H 34 4.935 4.606 0.329 1
1 138 . 11 1 1 A 34 34 LYS CA C 34 52.839 55.125 -2.286 1
1 139 . 11 1 1 A 34 34 LYS N N 34 117.519 116.757 0.762 1
1 140 . 11 1 1 A 35 35 LYS H H 35 6.969 8.366 -1.397 1
1 141 . 11 1 1 A 35 35 LYS HA H 35 4.601 4.221 0.380 1
1 142 . 11 1 1 A 35 35 LYS CA C 35 52.439 55.968 -3.529 1
1 143 . 11 1 1 A 35 35 LYS N N 35 116.846 122.620 -5.774 1
1 144 . 11 1 1 A 36 36 CYS H H 36 8.672 8.433 0.239 1
1 145 . 11 1 1 A 36 36 CYS HA H 36 4.781 4.370 0.411 1
1 146 . 11 1 1 A 36 36 CYS CA C 36 49.490 60.180 -10.690 1
1 147 . 11 1 1 A 36 36 CYS N N 36 118.220 122.315 -4.095 1
1 148 . 11 1 1 A 37 37 THR H H 37 10.153 8.535 1.618 1
1 149 . 11 1 1 A 37 37 THR HA H 37 4.287 4.658 -0.371 1
1 150 . 11 1 1 A 37 37 THR CA C 37 60.509 60.732 -0.223 1
1 151 . 11 1 1 A 37 37 THR CB C 37 68.160 69.057 -0.897 1
1 152 . 11 1 1 A 37 37 THR N N 37 121.911 115.659 6.252 1
1 153 . 11 1 1 A 38 38 LYS H H 38 7.346 7.551 -0.205 1
1 154 . 11 1 1 A 38 38 LYS HA H 38 4.235 4.541 -0.306 1
1 155 . 11 1 1 A 38 38 LYS CA C 38 54.060 56.049 -1.989 1
1 156 . 11 1 1 A 38 38 LYS N N 38 122.163 120.818 1.345 1
1 157 . 11 1 1 A 39 39 ASP H H 39 8.827 8.725 0.102 1
1 158 . 11 1 1 A 39 39 ASP HA H 39 4.642 4.279 0.363 1
1 159 . 11 1 1 A 39 39 ASP CA C 39 52.593 55.746 -3.153 1
1 160 . 11 1 1 A 39 39 ASP N N 39 124.992 125.365 -0.373 1
1 161 . 11 1 1 A 40 40 ASN H H 40 9.522 9.174 0.348 1
1 162 . 11 1 1 A 40 40 ASN HA H 40 4.338 4.597 -0.259 1
1 163 . 11 1 1 A 40 40 ASN CA C 40 53.076 54.341 -1.265 1
1 164 . 11 1 1 A 40 40 ASN N N 40 114.854 119.481 -4.627 1
1 165 . 11 1 1 A 41 41 ASN H H 41 7.801 8.138 -0.337 1
1 166 . 11 1 1 A 41 41 ASN HA H 41 4.779 4.760 0.019 1
1 167 . 11 1 1 A 41 41 ASN N N 41 120.270 115.805 4.465 1
1 168 . 11 1 1 A 42 42 LYS H H 42 8.529 7.648 0.881 1
1 169 . 11 1 1 A 42 42 LYS HA H 42 4.469 4.666 -0.197 1
1 170 . 11 1 1 A 42 42 LYS CA C 42 54.420 55.853 -1.433 1
1 171 . 11 1 1 A 42 42 LYS N N 42 119.707 114.983 4.724 1
1 172 . 11 1 1 A 43 43 CYS H H 43 7.612 8.699 -1.087 1
1 173 . 11 1 1 A 43 43 CYS HA H 43 5.440 5.128 0.312 1
1 174 . 11 1 1 A 43 43 CYS CA C 43 51.081 57.877 -6.796 1
1 175 . 11 1 1 A 43 43 CYS N N 43 113.820 122.809 -8.989 1
1 176 . 11 1 1 A 44 44 THR H H 44 9.039 8.580 0.459 1
1 177 . 11 1 1 A 44 44 THR HA H 44 5.322 5.142 0.180 1
1 178 . 11 1 1 A 44 44 THR CA C 44 57.334 61.029 -3.695 1
1 179 . 11 1 1 A 44 44 THR CB C 44 69.530 71.179 -1.649 1
1 180 . 11 1 1 A 44 44 THR N N 44 113.118 113.202 -0.084 1
1 181 . 11 1 1 A 45 45 VAL H H 45 8.647 8.442 0.205 1
1 182 . 11 1 1 A 45 45 VAL HA H 45 4.544 4.997 -0.453 1
1 183 . 11 1 1 A 45 45 VAL CA C 45 58.290 60.458 -2.168 1
1 184 . 11 1 1 A 45 45 VAL N N 45 122.102 121.370 0.732 1
1 185 . 11 1 1 A 46 46 ASP H H 46 8.624 8.820 -0.196 1
1 186 . 11 1 1 A 46 46 ASP HA H 46 5.396 4.964 0.432 1
1 187 . 11 1 1 A 46 46 ASP CA C 46 49.354 52.626 -3.272 1
1 188 . 11 1 1 A 46 46 ASP N N 46 126.564 125.660 0.904 1
1 189 . 11 1 1 A 47 47 THR H H 47 9.122 8.614 0.508 1
1 190 . 11 1 1 A 47 47 THR HA H 47 4.274 4.085 0.189 1
1 191 . 11 1 1 A 47 47 THR CA C 47 60.700 64.767 -4.067 1
1 192 . 11 1 1 A 47 47 THR CB C 47 66.440 68.599 -2.159 1
1 193 . 11 1 1 A 47 47 THR N N 47 114.486 120.140 -5.654 1
1 194 . 11 1 1 A 48 48 TYR H H 48 8.834 8.414 0.420 1
1 195 . 11 1 1 A 48 48 TYR HA H 48 4.476 4.041 0.435 1
1 196 . 11 1 1 A 48 48 TYR CA C 48 57.699 61.977 -4.278 1
1 197 . 11 1 1 A 48 48 TYR N N 48 123.919 124.058 -0.139 1
1 198 . 11 1 1 A 49 49 ASN H H 49 7.563 7.752 -0.189 1
1 199 . 11 1 1 A 49 49 ASN HA H 49 4.569 4.847 -0.278 1
1 200 . 11 1 1 A 49 49 ASN CA C 49 49.441 51.808 -2.367 1
1 201 . 11 1 1 A 49 49 ASN N N 49 113.858 113.904 -0.046 1
1 202 . 11 1 1 A 50 50 ASN H H 50 7.915 7.931 -0.016 1
1 203 . 11 1 1 A 50 50 ASN HA H 50 4.288 4.398 -0.110 1
1 204 . 11 1 1 A 50 50 ASN CA C 50 51.746 54.076 -2.330 1
1 205 . 11 1 1 A 50 50 ASN N N 50 117.382 116.404 0.978 1
1 206 . 11 1 1 A 51 51 ALA H H 51 7.904 7.415 0.489 1
1 207 . 11 1 1 A 51 51 ALA HA H 51 4.520 4.462 0.058 1
1 208 . 11 1 1 A 51 51 ALA CA C 51 49.621 51.626 -2.005 1
1 209 . 11 1 1 A 51 51 ALA CB C 51 17.920 18.928 -1.008 1
1 210 . 11 1 1 A 51 51 ALA N N 51 121.152 120.826 0.326 1
1 211 . 11 1 1 A 52 52 VAL H H 52 8.317 8.271 0.046 1
1 212 . 11 1 1 A 52 52 VAL HA H 52 4.956 4.694 0.262 1
1 213 . 11 1 1 A 52 52 VAL CA C 52 58.076 62.032 -3.956 1
1 214 . 11 1 1 A 52 52 VAL N N 52 125.803 124.453 1.350 1
1 215 . 11 1 1 A 53 53 ASP H H 53 8.668 9.046 -0.378 1
1 216 . 11 1 1 A 53 53 ASP HA H 53 4.944 5.197 -0.253 1
1 217 . 11 1 1 A 53 53 ASP CA C 53 50.581 53.380 -2.799 1
1 218 . 11 1 1 A 53 53 ASP N N 53 126.104 125.252 0.852 1
1 219 . 11 1 1 A 54 54 CYS H H 54 8.563 8.712 -0.149 1
1 220 . 11 1 1 A 54 54 CYS HA H 54 4.776 4.517 0.259 1
1 221 . 11 1 1 A 54 54 CYS CA C 54 53.462 59.174 -5.712 1
1 222 . 11 1 1 A 54 54 CYS N N 54 123.741 123.774 -0.033 1
1 4 . 12 1 1 A 2 2 LYS H H 2 8.219 7.997 0.222 1
1 5 . 12 1 1 A 2 2 LYS HA H 2 5.318 4.716 0.602 1
1 6 . 12 1 1 A 2 2 LYS CA C 2 52.348 54.330 -1.982 1
1 7 . 12 1 1 A 2 2 LYS N N 2 120.076 116.788 3.288 1
1 8 . 12 1 1 A 3 3 TYR H H 3 8.999 8.692 0.307 1
1 9 . 12 1 1 A 3 3 TYR HA H 3 4.883 5.172 -0.289 1
1 10 . 12 1 1 A 3 3 TYR CA C 3 53.848 56.081 -2.233 1
1 11 . 12 1 1 A 3 3 TYR N N 3 122.800 118.134 4.666 1
1 12 . 12 1 1 A 4 4 THR H H 4 8.885 8.565 0.320 1
1 13 . 12 1 1 A 4 4 THR HA H 4 5.117 4.989 0.128 1
1 14 . 12 1 1 A 4 4 THR CA C 4 58.871 60.131 -1.260 1
1 15 . 12 1 1 A 4 4 THR CB C 4 67.850 71.281 -3.431 1
1 16 . 12 1 1 A 4 4 THR N N 4 117.092 111.982 5.110 1
1 17 . 12 1 1 A 5 5 GLY H H 5 9.159 8.387 0.772 1
1 18 . 12 1 1 A 5 5 GLY HA2 H 5 4.075 4.146 -0.071 1
1 19 . 12 1 1 A 5 5 GLY HA3 H 5 4.075 4.164 -0.089 1
1 20 . 12 1 1 A 5 5 GLY CA C 5 42.597 45.830 -3.233 1
1 21 . 12 1 1 A 5 5 GLY N N 5 115.357 108.022 7.335 1
1 22 . 12 1 1 A 6 6 LYS H H 6 8.495 8.365 0.130 1
1 23 . 12 1 1 A 6 6 LYS HA H 6 5.460 5.033 0.427 1
1 24 . 12 1 1 A 6 6 LYS CA C 6 51.686 54.256 -2.570 1
1 25 . 12 1 1 A 6 6 LYS N N 6 121.225 118.969 2.256 1
1 26 . 12 1 1 A 7 7 CYS H H 7 9.847 8.601 1.246 1
1 27 . 12 1 1 A 7 7 CYS HA H 7 6.406 5.292 1.114 1
1 28 . 12 1 1 A 7 7 CYS CA C 7 50.542 58.171 -7.629 1
1 29 . 12 1 1 A 7 7 CYS N N 7 122.602 119.121 3.481 1
1 30 . 12 1 1 A 8 8 THR H H 8 8.726 8.225 0.501 1
1 31 . 12 1 1 A 8 8 THR HA H 8 4.793 4.978 -0.185 1
1 32 . 12 1 1 A 8 8 THR CA C 8 57.418 60.320 -2.902 1
1 33 . 12 1 1 A 8 8 THR CB C 8 68.450 72.064 -3.614 1
1 34 . 12 1 1 A 8 8 THR N N 8 113.380 111.336 2.044 1
1 35 . 12 1 1 A 9 9 LYS H H 9 8.993 9.171 -0.178 1
1 36 . 12 1 1 A 9 9 LYS HA H 9 3.627 4.013 -0.386 1
1 37 . 12 1 1 A 9 9 LYS CA C 9 57.323 59.979 -2.656 1
1 38 . 12 1 1 A 9 9 LYS N N 9 127.577 124.276 3.301 1
1 39 . 12 1 1 A 10 10 SER H H 10 9.424 7.792 1.632 1
1 40 . 12 1 1 A 10 10 SER HA H 10 4.094 4.399 -0.305 1
1 41 . 12 1 1 A 10 10 SER CA C 10 59.187 60.113 -0.926 1
1 42 . 12 1 1 A 10 10 SER CB C 10 59.200 63.563 -4.363 1
1 43 . 12 1 1 A 10 10 SER N N 10 116.462 112.748 3.714 1
1 44 . 12 1 1 A 11 11 LYS H H 11 7.083 7.645 -0.562 1
1 45 . 12 1 1 A 11 11 LYS HA H 11 4.258 4.858 -0.600 1
1 46 . 12 1 1 A 11 11 LYS CA C 11 53.366 55.317 -1.951 1
1 47 . 12 1 1 A 11 11 LYS N N 11 117.002 120.535 -3.533 1
1 48 . 12 1 1 A 12 12 ASN H H 12 7.681 8.919 -1.238 1
1 49 . 12 1 1 A 12 12 ASN HA H 12 4.646 4.853 -0.207 1
1 50 . 12 1 1 A 12 12 ASN CA C 12 51.004 52.519 -1.515 1
1 51 . 12 1 1 A 12 12 ASN N N 12 120.475 125.902 -5.427 1
1 52 . 12 1 1 A 13 13 GLU H H 13 7.314 8.219 -0.905 1
1 53 . 12 1 1 A 13 13 GLU HA H 13 4.960 5.280 -0.320 1
1 54 . 12 1 1 A 13 13 GLU CA C 13 52.227 54.769 -2.542 1
1 55 . 12 1 1 A 13 13 GLU N N 13 114.791 121.121 -6.330 1
1 56 . 12 1 1 A 14 14 CYS H H 14 9.691 9.189 0.502 1
1 57 . 12 1 1 A 14 14 CYS HA H 14 4.738 4.907 -0.169 1
1 58 . 12 1 1 A 14 14 CYS N N 14 123.353 121.625 1.728 1
1 59 . 12 1 1 A 15 15 LYS H H 15 8.714 8.263 0.451 1
1 60 . 12 1 1 A 15 15 LYS HA H 15 5.015 4.471 0.544 1
1 61 . 12 1 1 A 15 15 LYS CA C 15 51.724 55.357 -3.633 1
1 62 . 12 1 1 A 15 15 LYS N N 15 130.540 124.174 6.366 1
1 63 . 12 1 1 A 16 16 TYR H H 16 9.038 8.243 0.795 1
1 64 . 12 1 1 A 16 16 TYR HA H 16 4.993 5.264 -0.271 1
1 65 . 12 1 1 A 16 16 TYR CA C 16 52.239 55.394 -3.155 1
1 66 . 12 1 1 A 16 16 TYR N N 16 126.577 119.660 6.917 1
1 67 . 12 1 1 A 17 17 LYS H H 17 8.453 8.832 -0.379 1
1 68 . 12 1 1 A 17 17 LYS HA H 17 4.504 5.163 -0.659 1
1 69 . 12 1 1 A 17 17 LYS CA C 17 51.878 54.936 -3.058 1
1 70 . 12 1 1 A 17 17 LYS N N 17 120.816 120.981 -0.165 1
1 71 . 12 1 1 A 18 18 ASN H H 18 7.811 8.509 -0.698 1
1 72 . 12 1 1 A 18 18 ASN HA H 18 4.181 5.283 -1.102 1
1 73 . 12 1 1 A 18 18 ASN CA C 18 48.245 51.033 -2.788 1
1 74 . 12 1 1 A 18 18 ASN N N 18 122.171 123.790 -1.619 1
1 75 . 12 1 1 A 19 19 ASP H H 19 8.284 9.186 -0.902 1
1 76 . 12 1 1 A 19 19 ASP HA H 19 4.469 4.463 0.006 1
1 77 . 12 1 1 A 19 19 ASP CA C 19 54.562 56.619 -2.057 1
1 78 . 12 1 1 A 19 19 ASP N N 19 117.497 118.369 -0.872 1
1 79 . 12 1 1 A 20 20 ALA H H 20 7.482 8.080 -0.598 1
1 80 . 12 1 1 A 20 20 ALA HA H 20 4.471 4.458 0.013 1
1 81 . 12 1 1 A 20 20 ALA CA C 20 48.893 51.095 -2.202 1
1 82 . 12 1 1 A 20 20 ALA CB C 20 16.190 19.149 -2.959 1
1 83 . 12 1 1 A 20 20 ALA N N 20 120.920 120.423 0.497 1
1 84 . 12 1 1 A 21 21 GLY H H 21 8.229 7.615 0.614 1
1 85 . 12 1 1 A 21 21 GLY HA2 H 21 4.173 4.046 0.127 1
1 86 . 12 1 1 A 21 21 GLY HA3 H 21 4.173 4.046 0.127 1
1 87 . 12 1 1 A 21 21 GLY CA C 21 43.316 45.090 -1.774 1
1 88 . 12 1 1 A 21 21 GLY N N 21 107.360 106.011 1.349 1
1 89 . 12 1 1 A 22 22 LYS H H 22 7.721 7.775 -0.054 1
1 90 . 12 1 1 A 22 22 LYS HA H 22 4.390 4.488 -0.098 1
1 91 . 12 1 1 A 22 22 LYS CA C 22 51.822 55.200 -3.378 1
1 92 . 12 1 1 A 22 22 LYS N N 22 120.479 122.294 -1.815 1
1 93 . 12 1 1 A 23 23 ASP H H 23 8.641 8.611 0.030 1
1 94 . 12 1 1 A 23 23 ASP HA H 23 4.365 4.884 -0.519 1
1 95 . 12 1 1 A 23 23 ASP CA C 23 53.040 53.236 -0.196 1
1 96 . 12 1 1 A 23 23 ASP N N 23 126.541 123.396 3.145 1
1 97 . 12 1 1 A 24 24 THR H H 24 8.829 7.855 0.974 1
1 98 . 12 1 1 A 24 24 THR HA H 24 4.098 4.667 -0.569 1
1 99 . 12 1 1 A 24 24 THR CA C 24 59.221 60.702 -1.481 1
1 100 . 12 1 1 A 24 24 THR CB C 24 67.990 71.591 -3.601 1
1 101 . 12 1 1 A 24 24 THR N N 24 122.790 115.249 7.541 1
1 102 . 12 1 1 A 25 25 PHE H H 25 8.328 9.004 -0.676 1
1 103 . 12 1 1 A 25 25 PHE HA H 25 5.474 5.220 0.254 1
1 104 . 12 1 1 A 25 25 PHE CA C 25 53.722 56.637 -2.915 1
1 105 . 12 1 1 A 25 25 PHE N N 25 122.281 124.322 -2.041 1
1 106 . 12 1 1 A 26 26 ILE H H 26 9.138 8.645 0.493 1
1 107 . 12 1 1 A 26 26 ILE HA H 26 4.671 4.915 -0.244 1
1 108 . 12 1 1 A 26 26 ILE CA C 26 57.078 59.622 -2.544 1
1 109 . 12 1 1 A 26 26 ILE N N 26 123.064 123.542 -0.478 1
1 110 . 12 1 1 A 27 27 LYS H H 27 8.358 8.706 -0.348 1
1 111 . 12 1 1 A 27 27 LYS HA H 27 4.280 4.801 -0.521 1
1 112 . 12 1 1 A 27 27 LYS CA C 27 55.254 56.236 -0.982 1
1 113 . 12 1 1 A 27 27 LYS N N 27 127.092 128.133 -1.041 1
1 114 . 12 1 1 A 28 28 CYS H H 28 8.521 8.298 0.223 1
1 115 . 12 1 1 A 28 28 CYS HA H 28 4.653 4.653 0.000 1
1 116 . 12 1 1 A 28 28 CYS CA C 28 54.049 58.878 -4.829 1
1 117 . 12 1 1 A 28 28 CYS N N 28 119.722 123.836 -4.114 1
1 118 . 12 1 1 A 29 29 PRO HA H 29 4.427 4.766 -0.339 1
1 119 . 12 1 1 A 29 29 PRO CA C 29 60.107 62.432 -2.325 1
1 120 . 12 1 1 A 30 30 LYS H H 30 8.055 8.707 -0.652 1
1 121 . 12 1 1 A 30 30 LYS HA H 30 4.048 4.587 -0.539 1
1 122 . 12 1 1 A 30 30 LYS CA C 30 53.665 55.318 -1.653 1
1 123 . 12 1 1 A 30 30 LYS N N 30 116.627 123.019 -6.392 1
1 124 . 12 1 1 A 31 31 PHE H H 31 6.526 7.183 -0.657 1
1 125 . 12 1 1 A 31 31 PHE HA H 31 4.608 4.796 -0.188 1
1 126 . 12 1 1 A 31 31 PHE CA C 31 54.082 56.822 -2.740 1
1 127 . 12 1 1 A 31 31 PHE N N 31 116.828 119.226 -2.398 1
1 128 . 12 1 1 A 32 32 ASP H H 32 8.809 7.944 0.865 1
1 129 . 12 1 1 A 32 32 ASP HA H 32 4.238 4.773 -0.535 1
1 130 . 12 1 1 A 32 32 ASP CA C 32 54.669 54.685 -0.016 1
1 131 . 12 1 1 A 32 32 ASP N N 32 121.542 118.985 2.557 1
1 132 . 12 1 1 A 33 33 ASN H H 33 8.540 8.808 -0.268 1
1 133 . 12 1 1 A 33 33 ASN HA H 33 4.636 4.753 -0.117 1
1 134 . 12 1 1 A 33 33 ASN CA C 33 51.706 54.240 -2.534 1
1 135 . 12 1 1 A 33 33 ASN N N 33 113.646 115.222 -1.576 1
1 136 . 12 1 1 A 34 34 LYS H H 34 7.737 7.446 0.291 1
1 137 . 12 1 1 A 34 34 LYS HA H 34 4.935 4.633 0.302 1
1 138 . 12 1 1 A 34 34 LYS CA C 34 52.839 55.379 -2.540 1
1 139 . 12 1 1 A 34 34 LYS N N 34 117.519 118.527 -1.008 1
1 140 . 12 1 1 A 35 35 LYS H H 35 6.969 8.465 -1.496 1
1 141 . 12 1 1 A 35 35 LYS HA H 35 4.601 4.723 -0.122 1
1 142 . 12 1 1 A 35 35 LYS CA C 35 52.439 55.680 -3.241 1
1 143 . 12 1 1 A 35 35 LYS N N 35 116.846 124.597 -7.751 1
1 144 . 12 1 1 A 36 36 CYS H H 36 8.672 8.234 0.438 1
1 145 . 12 1 1 A 36 36 CYS HA H 36 4.781 4.418 0.363 1
1 146 . 12 1 1 A 36 36 CYS CA C 36 49.490 59.525 -10.035 1
1 147 . 12 1 1 A 36 36 CYS N N 36 118.220 117.779 0.441 1
1 148 . 12 1 1 A 37 37 THR H H 37 10.153 8.336 1.817 1
1 149 . 12 1 1 A 37 37 THR HA H 37 4.287 4.676 -0.389 1
1 150 . 12 1 1 A 37 37 THR CA C 37 60.509 61.259 -0.750 1
1 151 . 12 1 1 A 37 37 THR CB C 37 68.160 69.563 -1.403 1
1 152 . 12 1 1 A 37 37 THR N N 37 121.911 118.814 3.097 1
1 153 . 12 1 1 A 38 38 LYS H H 38 7.346 7.611 -0.265 1
1 154 . 12 1 1 A 38 38 LYS HA H 38 4.235 4.559 -0.324 1
1 155 . 12 1 1 A 38 38 LYS CA C 38 54.060 56.065 -2.005 1
1 156 . 12 1 1 A 38 38 LYS N N 38 122.163 121.485 0.678 1
1 157 . 12 1 1 A 39 39 ASP H H 39 8.827 8.785 0.042 1
1 158 . 12 1 1 A 39 39 ASP HA H 39 4.642 4.305 0.337 1
1 159 . 12 1 1 A 39 39 ASP CA C 39 52.593 55.561 -2.968 1
1 160 . 12 1 1 A 39 39 ASP N N 39 124.992 125.260 -0.268 1
1 161 . 12 1 1 A 40 40 ASN H H 40 9.522 9.122 0.400 1
1 162 . 12 1 1 A 40 40 ASN HA H 40 4.338 4.641 -0.303 1
1 163 . 12 1 1 A 40 40 ASN CA C 40 53.076 54.201 -1.125 1
1 164 . 12 1 1 A 40 40 ASN N N 40 114.854 118.618 -3.764 1
1 165 . 12 1 1 A 41 41 ASN H H 41 7.801 8.142 -0.341 1
1 166 . 12 1 1 A 41 41 ASN HA H 41 4.779 4.759 0.020 1
1 167 . 12 1 1 A 41 41 ASN N N 41 120.270 116.105 4.165 1
1 168 . 12 1 1 A 42 42 LYS H H 42 8.529 7.611 0.918 1
1 169 . 12 1 1 A 42 42 LYS HA H 42 4.469 4.665 -0.196 1
1 170 . 12 1 1 A 42 42 LYS CA C 42 54.420 55.915 -1.495 1
1 171 . 12 1 1 A 42 42 LYS N N 42 119.707 114.780 4.927 1
1 172 . 12 1 1 A 43 43 CYS H H 43 7.612 8.251 -0.639 1
1 173 . 12 1 1 A 43 43 CYS HA H 43 5.440 5.026 0.414 1
1 174 . 12 1 1 A 43 43 CYS CA C 43 51.081 57.813 -6.732 1
1 175 . 12 1 1 A 43 43 CYS N N 43 113.820 122.639 -8.819 1
1 176 . 12 1 1 A 44 44 THR H H 44 9.039 8.453 0.586 1
1 177 . 12 1 1 A 44 44 THR HA H 44 5.322 4.977 0.345 1
1 178 . 12 1 1 A 44 44 THR CA C 44 57.334 60.182 -2.848 1
1 179 . 12 1 1 A 44 44 THR CB C 44 69.530 71.644 -2.114 1
1 180 . 12 1 1 A 44 44 THR N N 44 113.118 114.540 -1.422 1
1 181 . 12 1 1 A 45 45 VAL H H 45 8.647 8.093 0.554 1
1 182 . 12 1 1 A 45 45 VAL HA H 45 4.544 5.009 -0.465 1
1 183 . 12 1 1 A 45 45 VAL CA C 45 58.290 60.728 -2.438 1
1 184 . 12 1 1 A 45 45 VAL N N 45 122.102 121.924 0.178 1
1 185 . 12 1 1 A 46 46 ASP H H 46 8.624 8.478 0.146 1
1 186 . 12 1 1 A 46 46 ASP HA H 46 5.396 5.200 0.196 1
1 187 . 12 1 1 A 46 46 ASP CA C 46 49.354 52.748 -3.394 1
1 188 . 12 1 1 A 46 46 ASP N N 46 126.564 126.847 -0.283 1
1 189 . 12 1 1 A 47 47 THR H H 47 9.122 8.180 0.942 1
1 190 . 12 1 1 A 47 47 THR HA H 47 4.274 4.446 -0.172 1
1 191 . 12 1 1 A 47 47 THR CA C 47 60.700 63.298 -2.598 1
1 192 . 12 1 1 A 47 47 THR CB C 47 66.440 69.352 -2.912 1
1 193 . 12 1 1 A 47 47 THR N N 47 114.486 115.820 -1.334 1
1 194 . 12 1 1 A 48 48 TYR H H 48 8.834 8.208 0.626 1
1 195 . 12 1 1 A 48 48 TYR HA H 48 4.476 4.067 0.409 1
1 196 . 12 1 1 A 48 48 TYR CA C 48 57.699 61.994 -4.295 1
1 197 . 12 1 1 A 48 48 TYR N N 48 123.919 123.798 0.121 1
1 198 . 12 1 1 A 49 49 ASN H H 49 7.563 7.976 -0.413 1
1 199 . 12 1 1 A 49 49 ASN HA H 49 4.569 4.837 -0.268 1
1 200 . 12 1 1 A 49 49 ASN CA C 49 49.441 51.908 -2.467 1
1 201 . 12 1 1 A 49 49 ASN N N 49 113.858 116.309 -2.451 1
1 202 . 12 1 1 A 50 50 ASN H H 50 7.915 8.139 -0.224 1
1 203 . 12 1 1 A 50 50 ASN HA H 50 4.288 4.437 -0.149 1
1 204 . 12 1 1 A 50 50 ASN CA C 50 51.746 53.880 -2.134 1
1 205 . 12 1 1 A 50 50 ASN N N 50 117.382 118.087 -0.705 1
1 206 . 12 1 1 A 51 51 ALA H H 51 7.904 7.843 0.061 1
1 207 . 12 1 1 A 51 51 ALA HA H 51 4.520 4.546 -0.026 1
1 208 . 12 1 1 A 51 51 ALA CA C 51 49.621 51.384 -1.763 1
1 209 . 12 1 1 A 51 51 ALA CB C 51 17.920 19.960 -2.040 1
1 210 . 12 1 1 A 51 51 ALA N N 51 121.152 120.333 0.819 1
1 211 . 12 1 1 A 52 52 VAL H H 52 8.317 9.067 -0.750 1
1 212 . 12 1 1 A 52 52 VAL HA H 52 4.956 4.579 0.377 1
1 213 . 12 1 1 A 52 52 VAL CA C 52 58.076 61.867 -3.791 1
1 214 . 12 1 1 A 52 52 VAL N N 52 125.803 124.166 1.637 1
1 215 . 12 1 1 A 53 53 ASP H H 53 8.668 8.721 -0.053 1
1 216 . 12 1 1 A 53 53 ASP HA H 53 4.944 5.351 -0.407 1
1 217 . 12 1 1 A 53 53 ASP CA C 53 50.581 52.898 -2.317 1
1 218 . 12 1 1 A 53 53 ASP N N 53 126.104 127.236 -1.132 1
1 219 . 12 1 1 A 54 54 CYS H H 54 8.563 8.782 -0.219 1
1 220 . 12 1 1 A 54 54 CYS HA H 54 4.776 4.828 -0.052 1
1 221 . 12 1 1 A 54 54 CYS CA C 54 53.462 57.803 -4.341 1
1 222 . 12 1 1 A 54 54 CYS N N 54 123.741 118.913 4.828 1
1 4 . 13 1 1 A 2 2 LYS H H 2 8.219 8.634 -0.415 1
1 5 . 13 1 1 A 2 2 LYS HA H 2 5.318 4.807 0.511 1
1 6 . 13 1 1 A 2 2 LYS CA C 2 52.348 56.355 -4.007 1
1 7 . 13 1 1 A 2 2 LYS N N 2 120.076 123.023 -2.947 1
1 8 . 13 1 1 A 3 3 TYR H H 3 8.999 8.434 0.565 1
1 9 . 13 1 1 A 3 3 TYR HA H 3 4.883 4.937 -0.054 1
1 10 . 13 1 1 A 3 3 TYR CA C 3 53.848 56.761 -2.913 1
1 11 . 13 1 1 A 3 3 TYR N N 3 122.800 119.140 3.660 1
1 12 . 13 1 1 A 4 4 THR H H 4 8.885 8.821 0.064 1
1 13 . 13 1 1 A 4 4 THR HA H 4 5.117 4.933 0.184 1
1 14 . 13 1 1 A 4 4 THR CA C 4 58.871 61.100 -2.229 1
1 15 . 13 1 1 A 4 4 THR CB C 4 67.850 70.163 -2.313 1
1 16 . 13 1 1 A 4 4 THR N N 4 117.092 115.240 1.852 1
1 17 . 13 1 1 A 5 5 GLY H H 5 9.159 8.163 0.996 1
1 18 . 13 1 1 A 5 5 GLY HA2 H 5 4.075 4.402 -0.327 1
1 19 . 13 1 1 A 5 5 GLY HA3 H 5 4.075 4.428 -0.353 1
1 20 . 13 1 1 A 5 5 GLY CA C 5 42.597 45.341 -2.744 1
1 21 . 13 1 1 A 5 5 GLY N N 5 115.357 110.265 5.092 1
1 22 . 13 1 1 A 6 6 LYS H H 6 8.495 8.495 0.000 1
1 23 . 13 1 1 A 6 6 LYS HA H 6 5.460 5.236 0.224 1
1 24 . 13 1 1 A 6 6 LYS CA C 6 51.686 54.516 -2.830 1
1 25 . 13 1 1 A 6 6 LYS N N 6 121.225 119.446 1.779 1
1 26 . 13 1 1 A 7 7 CYS H H 7 9.847 8.834 1.013 1
1 27 . 13 1 1 A 7 7 CYS HA H 7 6.406 5.387 1.019 1
1 28 . 13 1 1 A 7 7 CYS CA C 7 50.542 56.575 -6.033 1
1 29 . 13 1 1 A 7 7 CYS N N 7 122.602 117.953 4.649 1
1 30 . 13 1 1 A 8 8 THR H H 8 8.726 8.256 0.470 1
1 31 . 13 1 1 A 8 8 THR HA H 8 4.793 4.755 0.038 1
1 32 . 13 1 1 A 8 8 THR CA C 8 57.418 60.103 -2.685 1
1 33 . 13 1 1 A 8 8 THR CB C 8 68.450 70.451 -2.001 1
1 34 . 13 1 1 A 8 8 THR N N 8 113.380 115.691 -2.311 1
1 35 . 13 1 1 A 9 9 LYS H H 9 8.993 8.801 0.192 1
1 36 . 13 1 1 A 9 9 LYS HA H 9 3.627 4.057 -0.430 1
1 37 . 13 1 1 A 9 9 LYS CA C 9 57.323 58.784 -1.461 1
1 38 . 13 1 1 A 9 9 LYS N N 9 127.577 125.131 2.446 1
1 39 . 13 1 1 A 10 10 SER H H 10 9.424 7.509 1.915 1
1 40 . 13 1 1 A 10 10 SER HA H 10 4.094 4.419 -0.325 1
1 41 . 13 1 1 A 10 10 SER CA C 10 59.187 59.480 -0.293 1
1 42 . 13 1 1 A 10 10 SER CB C 10 59.200 63.761 -4.561 1
1 43 . 13 1 1 A 10 10 SER N N 10 116.462 111.506 4.956 1
1 44 . 13 1 1 A 11 11 LYS H H 11 7.083 7.750 -0.667 1
1 45 . 13 1 1 A 11 11 LYS HA H 11 4.258 4.816 -0.558 1
1 46 . 13 1 1 A 11 11 LYS CA C 11 53.366 55.316 -1.950 1
1 47 . 13 1 1 A 11 11 LYS N N 11 117.002 120.675 -3.673 1
1 48 . 13 1 1 A 12 12 ASN H H 12 7.681 8.921 -1.240 1
1 49 . 13 1 1 A 12 12 ASN HA H 12 4.646 4.802 -0.156 1
1 50 . 13 1 1 A 12 12 ASN CA C 12 51.004 52.146 -1.142 1
1 51 . 13 1 1 A 12 12 ASN N N 12 120.475 125.482 -5.007 1
1 52 . 13 1 1 A 13 13 GLU H H 13 7.314 7.928 -0.614 1
1 53 . 13 1 1 A 13 13 GLU HA H 13 4.960 5.077 -0.117 1
1 54 . 13 1 1 A 13 13 GLU CA C 13 52.227 54.782 -2.555 1
1 55 . 13 1 1 A 13 13 GLU N N 13 114.791 118.350 -3.559 1
1 56 . 13 1 1 A 14 14 CYS H H 14 9.691 8.715 0.976 1
1 57 . 13 1 1 A 14 14 CYS HA H 14 4.738 4.715 0.023 1
1 58 . 13 1 1 A 14 14 CYS N N 14 123.353 122.796 0.557 1
1 59 . 13 1 1 A 15 15 LYS H H 15 8.714 8.376 0.338 1
1 60 . 13 1 1 A 15 15 LYS HA H 15 5.015 4.289 0.726 1
1 61 . 13 1 1 A 15 15 LYS CA C 15 51.724 55.597 -3.873 1
1 62 . 13 1 1 A 15 15 LYS N N 15 130.540 123.296 7.244 1
1 63 . 13 1 1 A 16 16 TYR H H 16 9.038 8.064 0.974 1
1 64 . 13 1 1 A 16 16 TYR HA H 16 4.993 5.415 -0.422 1
1 65 . 13 1 1 A 16 16 TYR CA C 16 52.239 55.001 -2.762 1
1 66 . 13 1 1 A 16 16 TYR N N 16 126.577 119.313 7.264 1
1 67 . 13 1 1 A 17 17 LYS H H 17 8.453 8.941 -0.488 1
1 68 . 13 1 1 A 17 17 LYS HA H 17 4.504 5.055 -0.551 1
1 69 . 13 1 1 A 17 17 LYS CA C 17 51.878 55.120 -3.242 1
1 70 . 13 1 1 A 17 17 LYS N N 17 120.816 120.948 -0.132 1
1 71 . 13 1 1 A 18 18 ASN H H 18 7.811 8.911 -1.100 1
1 72 . 13 1 1 A 18 18 ASN HA H 18 4.181 5.286 -1.105 1
1 73 . 13 1 1 A 18 18 ASN CA C 18 48.245 51.377 -3.132 1
1 74 . 13 1 1 A 18 18 ASN N N 18 122.171 123.494 -1.323 1
1 75 . 13 1 1 A 19 19 ASP H H 19 8.284 9.241 -0.957 1
1 76 . 13 1 1 A 19 19 ASP HA H 19 4.469 4.496 -0.027 1
1 77 . 13 1 1 A 19 19 ASP CA C 19 54.562 56.219 -1.657 1
1 78 . 13 1 1 A 19 19 ASP N N 19 117.497 118.597 -1.100 1
1 79 . 13 1 1 A 20 20 ALA H H 20 7.482 8.176 -0.694 1
1 80 . 13 1 1 A 20 20 ALA HA H 20 4.471 4.502 -0.031 1
1 81 . 13 1 1 A 20 20 ALA CA C 20 48.893 51.338 -2.445 1
1 82 . 13 1 1 A 20 20 ALA CB C 20 16.190 19.435 -3.245 1
1 83 . 13 1 1 A 20 20 ALA N N 20 120.920 119.431 1.489 1
1 84 . 13 1 1 A 21 21 GLY H H 21 8.229 7.578 0.651 1
1 85 . 13 1 1 A 21 21 GLY HA2 H 21 4.173 4.085 0.088 1
1 86 . 13 1 1 A 21 21 GLY HA3 H 21 4.173 4.088 0.085 1
1 87 . 13 1 1 A 21 21 GLY CA C 21 43.316 45.071 -1.755 1
1 88 . 13 1 1 A 21 21 GLY N N 21 107.360 105.152 2.208 1
1 89 . 13 1 1 A 22 22 LYS H H 22 7.721 7.450 0.271 1
1 90 . 13 1 1 A 22 22 LYS HA H 22 4.390 4.287 0.103 1
1 91 . 13 1 1 A 22 22 LYS CA C 22 51.822 55.803 -3.981 1
1 92 . 13 1 1 A 22 22 LYS N N 22 120.479 120.286 0.193 1
1 93 . 13 1 1 A 23 23 ASP H H 23 8.641 8.577 0.064 1
1 94 . 13 1 1 A 23 23 ASP HA H 23 4.365 4.721 -0.356 1
1 95 . 13 1 1 A 23 23 ASP CA C 23 53.040 53.989 -0.949 1
1 96 . 13 1 1 A 23 23 ASP N N 23 126.541 124.238 2.303 1
1 97 . 13 1 1 A 24 24 THR H H 24 8.829 8.485 0.344 1
1 98 . 13 1 1 A 24 24 THR HA H 24 4.098 4.852 -0.754 1
1 99 . 13 1 1 A 24 24 THR CA C 24 59.221 61.413 -2.192 1
1 100 . 13 1 1 A 24 24 THR CB C 24 67.990 69.863 -1.873 1
1 101 . 13 1 1 A 24 24 THR N N 24 122.790 118.749 4.041 1
1 102 . 13 1 1 A 25 25 PHE H H 25 8.328 8.921 -0.593 1
1 103 . 13 1 1 A 25 25 PHE HA H 25 5.474 5.250 0.224 1
1 104 . 13 1 1 A 25 25 PHE CA C 25 53.722 56.294 -2.572 1
1 105 . 13 1 1 A 25 25 PHE N N 25 122.281 124.826 -2.545 1
1 106 . 13 1 1 A 26 26 ILE H H 26 9.138 8.788 0.350 1
1 107 . 13 1 1 A 26 26 ILE HA H 26 4.671 4.741 -0.070 1
1 108 . 13 1 1 A 26 26 ILE CA C 26 57.078 59.999 -2.921 1
1 109 . 13 1 1 A 26 26 ILE N N 26 123.064 122.895 0.169 1
1 110 . 13 1 1 A 27 27 LYS H H 27 8.358 8.569 -0.211 1
1 111 . 13 1 1 A 27 27 LYS HA H 27 4.280 4.502 -0.222 1
1 112 . 13 1 1 A 27 27 LYS CA C 27 55.254 57.101 -1.847 1
1 113 . 13 1 1 A 27 27 LYS N N 27 127.092 129.913 -2.821 1
1 114 . 13 1 1 A 28 28 CYS H H 28 8.521 8.774 -0.253 1
1 115 . 13 1 1 A 28 28 CYS HA H 28 4.653 4.657 -0.004 1
1 116 . 13 1 1 A 28 28 CYS CA C 28 54.049 58.494 -4.445 1
1 117 . 13 1 1 A 28 28 CYS N N 28 119.722 125.446 -5.724 1
1 118 . 13 1 1 A 29 29 PRO HA H 29 4.427 4.444 -0.017 1
1 119 . 13 1 1 A 29 29 PRO CA C 29 60.107 62.281 -2.174 1
1 120 . 13 1 1 A 30 30 LYS H H 30 8.055 7.915 0.140 1
1 121 . 13 1 1 A 30 30 LYS HA H 30 4.048 4.655 -0.607 1
1 122 . 13 1 1 A 30 30 LYS CA C 30 53.665 54.916 -1.251 1
1 123 . 13 1 1 A 30 30 LYS N N 30 116.627 123.303 -6.676 1
1 124 . 13 1 1 A 31 31 PHE H H 31 6.526 8.538 -2.012 1
1 125 . 13 1 1 A 31 31 PHE HA H 31 4.608 4.632 -0.024 1
1 126 . 13 1 1 A 31 31 PHE CA C 31 54.082 57.984 -3.902 1
1 127 . 13 1 1 A 31 31 PHE N N 31 116.828 124.338 -7.510 1
1 128 . 13 1 1 A 32 32 ASP H H 32 8.809 8.725 0.084 1
1 129 . 13 1 1 A 32 32 ASP HA H 32 4.238 4.584 -0.346 1
1 130 . 13 1 1 A 32 32 ASP CA C 32 54.669 54.122 0.547 1
1 131 . 13 1 1 A 32 32 ASP N N 32 121.542 121.131 0.411 1
1 132 . 13 1 1 A 33 33 ASN H H 33 8.540 8.576 -0.036 1
1 133 . 13 1 1 A 33 33 ASN HA H 33 4.636 4.957 -0.321 1
1 134 . 13 1 1 A 33 33 ASN CA C 33 51.706 54.635 -2.929 1
1 135 . 13 1 1 A 33 33 ASN N N 33 113.646 124.816 -11.170 1
1 136 . 13 1 1 A 34 34 LYS H H 34 7.737 7.420 0.317 1
1 137 . 13 1 1 A 34 34 LYS HA H 34 4.935 4.591 0.344 1
1 138 . 13 1 1 A 34 34 LYS CA C 34 52.839 55.166 -2.327 1
1 139 . 13 1 1 A 34 34 LYS N N 34 117.519 117.876 -0.357 1
1 140 . 13 1 1 A 35 35 LYS H H 35 6.969 7.990 -1.021 1
1 141 . 13 1 1 A 35 35 LYS HA H 35 4.601 4.286 0.315 1
1 142 . 13 1 1 A 35 35 LYS CA C 35 52.439 55.917 -3.478 1
1 143 . 13 1 1 A 35 35 LYS N N 35 116.846 121.633 -4.787 1
1 144 . 13 1 1 A 36 36 CYS H H 36 8.672 8.558 0.114 1
1 145 . 13 1 1 A 36 36 CYS HA H 36 4.781 4.489 0.292 1
1 146 . 13 1 1 A 36 36 CYS CA C 36 49.490 59.812 -10.322 1
1 147 . 13 1 1 A 36 36 CYS N N 36 118.220 120.014 -1.794 1
1 148 . 13 1 1 A 37 37 THR H H 37 10.153 8.546 1.607 1
1 149 . 13 1 1 A 37 37 THR HA H 37 4.287 4.652 -0.365 1
1 150 . 13 1 1 A 37 37 THR CA C 37 60.509 60.496 0.013 1
1 151 . 13 1 1 A 37 37 THR CB C 37 68.160 68.812 -0.652 1
1 152 . 13 1 1 A 37 37 THR N N 37 121.911 113.822 8.089 1
1 153 . 13 1 1 A 38 38 LYS H H 38 7.346 7.687 -0.341 1
1 154 . 13 1 1 A 38 38 LYS HA H 38 4.235 4.626 -0.391 1
1 155 . 13 1 1 A 38 38 LYS CA C 38 54.060 55.807 -1.747 1
1 156 . 13 1 1 A 38 38 LYS N N 38 122.163 122.158 0.005 1
1 157 . 13 1 1 A 39 39 ASP H H 39 8.827 8.673 0.154 1
1 158 . 13 1 1 A 39 39 ASP HA H 39 4.642 4.442 0.200 1
1 159 . 13 1 1 A 39 39 ASP CA C 39 52.593 54.849 -2.256 1
1 160 . 13 1 1 A 39 39 ASP N N 39 124.992 124.152 0.840 1
1 161 . 13 1 1 A 40 40 ASN H H 40 9.522 9.144 0.378 1
1 162 . 13 1 1 A 40 40 ASN HA H 40 4.338 4.543 -0.205 1
1 163 . 13 1 1 A 40 40 ASN CA C 40 53.076 54.231 -1.155 1
1 164 . 13 1 1 A 40 40 ASN N N 40 114.854 118.991 -4.137 1
1 165 . 13 1 1 A 41 41 ASN H H 41 7.801 8.329 -0.528 1
1 166 . 13 1 1 A 41 41 ASN HA H 41 4.779 4.776 0.003 1
1 167 . 13 1 1 A 41 41 ASN N N 41 120.270 115.590 4.680 1
1 168 . 13 1 1 A 42 42 LYS H H 42 8.529 8.534 -0.005 1
1 169 . 13 1 1 A 42 42 LYS HA H 42 4.469 4.883 -0.414 1
1 170 . 13 1 1 A 42 42 LYS CA C 42 54.420 54.910 -0.490 1
1 171 . 13 1 1 A 42 42 LYS N N 42 119.707 121.185 -1.478 1
1 172 . 13 1 1 A 43 43 CYS H H 43 7.612 8.733 -1.121 1
1 173 . 13 1 1 A 43 43 CYS HA H 43 5.440 5.456 -0.016 1
1 174 . 13 1 1 A 43 43 CYS CA C 43 51.081 57.412 -6.331 1
1 175 . 13 1 1 A 43 43 CYS N N 43 113.820 124.301 -10.481 1
1 176 . 13 1 1 A 44 44 THR H H 44 9.039 8.094 0.945 1
1 177 . 13 1 1 A 44 44 THR HA H 44 5.322 5.393 -0.071 1
1 178 . 13 1 1 A 44 44 THR CA C 44 57.334 60.694 -3.360 1
1 179 . 13 1 1 A 44 44 THR CB C 44 69.530 71.641 -2.111 1
1 180 . 13 1 1 A 44 44 THR N N 44 113.118 112.106 1.012 1
1 181 . 13 1 1 A 45 45 VAL H H 45 8.647 8.054 0.593 1
1 182 . 13 1 1 A 45 45 VAL HA H 45 4.544 4.988 -0.444 1
1 183 . 13 1 1 A 45 45 VAL CA C 45 58.290 60.977 -2.687 1
1 184 . 13 1 1 A 45 45 VAL N N 45 122.102 120.846 1.256 1
1 185 . 13 1 1 A 46 46 ASP H H 46 8.624 8.859 -0.235 1
1 186 . 13 1 1 A 46 46 ASP HA H 46 5.396 5.429 -0.033 1
1 187 . 13 1 1 A 46 46 ASP CA C 46 49.354 53.200 -3.846 1
1 188 . 13 1 1 A 46 46 ASP N N 46 126.564 127.114 -0.550 1
1 189 . 13 1 1 A 47 47 THR H H 47 9.122 9.313 -0.191 1
1 190 . 13 1 1 A 47 47 THR HA H 47 4.274 4.183 0.091 1
1 191 . 13 1 1 A 47 47 THR CA C 47 60.700 64.681 -3.981 1
1 192 . 13 1 1 A 47 47 THR CB C 47 66.440 68.898 -2.458 1
1 193 . 13 1 1 A 47 47 THR N N 47 114.486 118.026 -3.540 1
1 194 . 13 1 1 A 48 48 TYR H H 48 8.834 8.025 0.809 1
1 195 . 13 1 1 A 48 48 TYR HA H 48 4.476 4.162 0.314 1
1 196 . 13 1 1 A 48 48 TYR CA C 48 57.699 61.681 -3.982 1
1 197 . 13 1 1 A 48 48 TYR N N 48 123.919 123.860 0.059 1
1 198 . 13 1 1 A 49 49 ASN H H 49 7.563 7.863 -0.300 1
1 199 . 13 1 1 A 49 49 ASN HA H 49 4.569 4.978 -0.409 1
1 200 . 13 1 1 A 49 49 ASN CA C 49 49.441 52.027 -2.586 1
1 201 . 13 1 1 A 49 49 ASN N N 49 113.858 115.327 -1.469 1
1 202 . 13 1 1 A 50 50 ASN H H 50 7.915 8.193 -0.278 1
1 203 . 13 1 1 A 50 50 ASN HA H 50 4.288 4.363 -0.075 1
1 204 . 13 1 1 A 50 50 ASN CA C 50 51.746 54.141 -2.395 1
1 205 . 13 1 1 A 50 50 ASN N N 50 117.382 115.464 1.918 1
1 206 . 13 1 1 A 51 51 ALA H H 51 7.904 7.773 0.131 1
1 207 . 13 1 1 A 51 51 ALA HA H 51 4.520 4.501 0.019 1
1 208 . 13 1 1 A 51 51 ALA CA C 51 49.621 52.161 -2.540 1
1 209 . 13 1 1 A 51 51 ALA CB C 51 17.920 20.061 -2.141 1
1 210 . 13 1 1 A 51 51 ALA N N 51 121.152 121.064 0.088 1
1 211 . 13 1 1 A 52 52 VAL H H 52 8.317 8.589 -0.272 1
1 212 . 13 1 1 A 52 52 VAL HA H 52 4.956 4.538 0.418 1
1 213 . 13 1 1 A 52 52 VAL CA C 52 58.076 61.423 -3.347 1
1 214 . 13 1 1 A 52 52 VAL N N 52 125.803 121.875 3.928 1
1 215 . 13 1 1 A 53 53 ASP H H 53 8.668 9.061 -0.393 1
1 216 . 13 1 1 A 53 53 ASP HA H 53 4.944 4.922 0.022 1
1 217 . 13 1 1 A 53 53 ASP CA C 53 50.581 54.321 -3.740 1
1 218 . 13 1 1 A 53 53 ASP N N 53 126.104 127.541 -1.437 1
1 219 . 13 1 1 A 54 54 CYS H H 54 8.563 8.593 -0.030 1
1 220 . 13 1 1 A 54 54 CYS HA H 54 4.776 5.079 -0.303 1
1 221 . 13 1 1 A 54 54 CYS CA C 54 53.462 57.733 -4.271 1
1 222 . 13 1 1 A 54 54 CYS N N 54 123.741 118.727 5.014 1
1 4 . 14 1 1 A 2 2 LYS H H 2 8.219 8.528 -0.309 1
1 5 . 14 1 1 A 2 2 LYS HA H 2 5.318 5.122 0.196 1
1 6 . 14 1 1 A 2 2 LYS CA C 2 52.348 54.917 -2.569 1
1 7 . 14 1 1 A 2 2 LYS N N 2 120.076 115.944 4.132 1
1 8 . 14 1 1 A 3 3 TYR H H 3 8.999 8.607 0.392 1
1 9 . 14 1 1 A 3 3 TYR HA H 3 4.883 5.287 -0.404 1
1 10 . 14 1 1 A 3 3 TYR CA C 3 53.848 56.341 -2.493 1
1 11 . 14 1 1 A 3 3 TYR N N 3 122.800 117.077 5.723 1
1 12 . 14 1 1 A 4 4 THR H H 4 8.885 8.745 0.140 1
1 13 . 14 1 1 A 4 4 THR HA H 4 5.117 5.085 0.032 1
1 14 . 14 1 1 A 4 4 THR CA C 4 58.871 59.746 -0.875 1
1 15 . 14 1 1 A 4 4 THR CB C 4 67.850 71.812 -3.962 1
1 16 . 14 1 1 A 4 4 THR N N 4 117.092 115.591 1.501 1
1 17 . 14 1 1 A 5 5 GLY H H 5 9.159 8.254 0.905 1
1 18 . 14 1 1 A 5 5 GLY HA2 H 5 4.075 4.301 -0.226 1
1 19 . 14 1 1 A 5 5 GLY HA3 H 5 4.075 4.308 -0.233 1
1 20 . 14 1 1 A 5 5 GLY CA C 5 42.597 45.759 -3.162 1
1 21 . 14 1 1 A 5 5 GLY N N 5 115.357 113.674 1.683 1
1 22 . 14 1 1 A 6 6 LYS H H 6 8.495 8.392 0.103 1
1 23 . 14 1 1 A 6 6 LYS HA H 6 5.460 5.451 0.009 1
1 24 . 14 1 1 A 6 6 LYS CA C 6 51.686 54.751 -3.065 1
1 25 . 14 1 1 A 6 6 LYS N N 6 121.225 121.282 -0.057 1
1 26 . 14 1 1 A 7 7 CYS H H 7 9.847 8.762 1.085 1
1 27 . 14 1 1 A 7 7 CYS HA H 7 6.406 5.343 1.063 1
1 28 . 14 1 1 A 7 7 CYS CA C 7 50.542 56.708 -6.166 1
1 29 . 14 1 1 A 7 7 CYS N N 7 122.602 117.955 4.647 1
1 30 . 14 1 1 A 8 8 THR H H 8 8.726 8.201 0.525 1
1 31 . 14 1 1 A 8 8 THR HA H 8 4.793 4.792 0.001 1
1 32 . 14 1 1 A 8 8 THR CA C 8 57.418 60.311 -2.893 1
1 33 . 14 1 1 A 8 8 THR CB C 8 68.450 70.981 -2.531 1
1 34 . 14 1 1 A 8 8 THR N N 8 113.380 114.434 -1.054 1
1 35 . 14 1 1 A 9 9 LYS H H 9 8.993 8.951 0.042 1
1 36 . 14 1 1 A 9 9 LYS HA H 9 3.627 3.973 -0.346 1
1 37 . 14 1 1 A 9 9 LYS CA C 9 57.323 60.189 -2.866 1
1 38 . 14 1 1 A 9 9 LYS N N 9 127.577 122.935 4.642 1
1 39 . 14 1 1 A 10 10 SER H H 10 9.424 8.382 1.042 1
1 40 . 14 1 1 A 10 10 SER HA H 10 4.094 4.250 -0.156 1
1 41 . 14 1 1 A 10 10 SER CA C 10 59.187 61.427 -2.240 1
1 42 . 14 1 1 A 10 10 SER CB C 10 59.200 62.515 -3.315 1
1 43 . 14 1 1 A 10 10 SER N N 10 116.462 114.023 2.439 1
1 44 . 14 1 1 A 11 11 LYS H H 11 7.083 8.128 -1.045 1
1 45 . 14 1 1 A 11 11 LYS HA H 11 4.258 4.494 -0.236 1
1 46 . 14 1 1 A 11 11 LYS CA C 11 53.366 54.964 -1.598 1
1 47 . 14 1 1 A 11 11 LYS N N 11 117.002 120.919 -3.917 1
1 48 . 14 1 1 A 12 12 ASN H H 12 7.681 8.938 -1.257 1
1 49 . 14 1 1 A 12 12 ASN HA H 12 4.646 4.817 -0.171 1
1 50 . 14 1 1 A 12 12 ASN CA C 12 51.004 52.338 -1.334 1
1 51 . 14 1 1 A 12 12 ASN N N 12 120.475 124.689 -4.214 1
1 52 . 14 1 1 A 13 13 GLU H H 13 7.314 8.212 -0.898 1
1 53 . 14 1 1 A 13 13 GLU HA H 13 4.960 5.029 -0.069 1
1 54 . 14 1 1 A 13 13 GLU CA C 13 52.227 54.487 -2.260 1
1 55 . 14 1 1 A 13 13 GLU N N 13 114.791 120.437 -5.646 1
1 56 . 14 1 1 A 14 14 CYS H H 14 9.691 8.554 1.137 1
1 57 . 14 1 1 A 14 14 CYS HA H 14 4.738 4.654 0.084 1
1 58 . 14 1 1 A 14 14 CYS N N 14 123.353 122.600 0.753 1
1 59 . 14 1 1 A 15 15 LYS H H 15 8.714 7.963 0.751 1
1 60 . 14 1 1 A 15 15 LYS HA H 15 5.015 4.184 0.831 1
1 61 . 14 1 1 A 15 15 LYS CA C 15 51.724 55.468 -3.744 1
1 62 . 14 1 1 A 15 15 LYS N N 15 130.540 122.240 8.300 1
1 63 . 14 1 1 A 16 16 TYR H H 16 9.038 8.202 0.836 1
1 64 . 14 1 1 A 16 16 TYR HA H 16 4.993 5.133 -0.140 1
1 65 . 14 1 1 A 16 16 TYR CA C 16 52.239 56.241 -4.002 1
1 66 . 14 1 1 A 16 16 TYR N N 16 126.577 118.364 8.213 1
1 67 . 14 1 1 A 17 17 LYS H H 17 8.453 8.686 -0.233 1
1 68 . 14 1 1 A 17 17 LYS HA H 17 4.504 4.730 -0.226 1
1 69 . 14 1 1 A 17 17 LYS CA C 17 51.878 54.678 -2.800 1
1 70 . 14 1 1 A 17 17 LYS N N 17 120.816 118.486 2.330 1
1 71 . 14 1 1 A 18 18 ASN H H 18 7.811 8.334 -0.523 1
1 72 . 14 1 1 A 18 18 ASN HA H 18 4.181 5.042 -0.861 1
1 73 . 14 1 1 A 18 18 ASN CA C 18 48.245 51.011 -2.766 1
1 74 . 14 1 1 A 18 18 ASN N N 18 122.171 122.455 -0.284 1
1 75 . 14 1 1 A 19 19 ASP H H 19 8.284 9.205 -0.921 1
1 76 . 14 1 1 A 19 19 ASP HA H 19 4.469 4.509 -0.040 1
1 77 . 14 1 1 A 19 19 ASP CA C 19 54.562 56.248 -1.686 1
1 78 . 14 1 1 A 19 19 ASP N N 19 117.497 118.584 -1.087 1
1 79 . 14 1 1 A 20 20 ALA H H 20 7.482 8.190 -0.708 1
1 80 . 14 1 1 A 20 20 ALA HA H 20 4.471 4.494 -0.023 1
1 81 . 14 1 1 A 20 20 ALA CA C 20 48.893 51.338 -2.445 1
1 82 . 14 1 1 A 20 20 ALA CB C 20 16.190 19.512 -3.322 1
1 83 . 14 1 1 A 20 20 ALA N N 20 120.920 119.414 1.506 1
1 84 . 14 1 1 A 21 21 GLY H H 21 8.229 7.507 0.722 1
1 85 . 14 1 1 A 21 21 GLY HA2 H 21 4.173 4.052 0.121 1
1 86 . 14 1 1 A 21 21 GLY HA3 H 21 4.173 4.060 0.113 1
1 87 . 14 1 1 A 21 21 GLY CA C 21 43.316 44.990 -1.674 1
1 88 . 14 1 1 A 21 21 GLY N N 21 107.360 105.841 1.519 1
1 89 . 14 1 1 A 22 22 LYS H H 22 7.721 7.587 0.134 1
1 90 . 14 1 1 A 22 22 LYS HA H 22 4.390 4.238 0.152 1
1 91 . 14 1 1 A 22 22 LYS CA C 22 51.822 55.337 -3.515 1
1 92 . 14 1 1 A 22 22 LYS N N 22 120.479 120.178 0.301 1
1 93 . 14 1 1 A 23 23 ASP H H 23 8.641 8.551 0.090 1
1 94 . 14 1 1 A 23 23 ASP HA H 23 4.365 4.398 -0.033 1
1 95 . 14 1 1 A 23 23 ASP CA C 23 53.040 54.698 -1.658 1
1 96 . 14 1 1 A 23 23 ASP N N 23 126.541 125.495 1.046 1
1 97 . 14 1 1 A 24 24 THR H H 24 8.829 8.380 0.449 1
1 98 . 14 1 1 A 24 24 THR HA H 24 4.098 4.922 -0.824 1
1 99 . 14 1 1 A 24 24 THR CA C 24 59.221 60.902 -1.681 1
1 100 . 14 1 1 A 24 24 THR CB C 24 67.990 70.772 -2.782 1
1 101 . 14 1 1 A 24 24 THR N N 24 122.790 116.396 6.394 1
1 102 . 14 1 1 A 25 25 PHE H H 25 8.328 9.076 -0.748 1
1 103 . 14 1 1 A 25 25 PHE HA H 25 5.474 5.416 0.058 1
1 104 . 14 1 1 A 25 25 PHE CA C 25 53.722 56.462 -2.740 1
1 105 . 14 1 1 A 25 25 PHE N N 25 122.281 124.514 -2.233 1
1 106 . 14 1 1 A 26 26 ILE H H 26 9.138 8.882 0.256 1
1 107 . 14 1 1 A 26 26 ILE HA H 26 4.671 4.739 -0.068 1
1 108 . 14 1 1 A 26 26 ILE CA C 26 57.078 60.575 -3.497 1
1 109 . 14 1 1 A 26 26 ILE N N 26 123.064 123.384 -0.320 1
1 110 . 14 1 1 A 27 27 LYS H H 27 8.358 8.481 -0.123 1
1 111 . 14 1 1 A 27 27 LYS HA H 27 4.280 4.447 -0.167 1
1 112 . 14 1 1 A 27 27 LYS CA C 27 55.254 56.736 -1.482 1
1 113 . 14 1 1 A 27 27 LYS N N 27 127.092 126.058 1.034 1
1 114 . 14 1 1 A 28 28 CYS H H 28 8.521 8.468 0.053 1
1 115 . 14 1 1 A 28 28 CYS HA H 28 4.653 4.568 0.085 1
1 116 . 14 1 1 A 28 28 CYS CA C 28 54.049 58.575 -4.526 1
1 117 . 14 1 1 A 28 28 CYS N N 28 119.722 122.217 -2.495 1
1 118 . 14 1 1 A 29 29 PRO HA H 29 4.427 4.570 -0.143 1
1 119 . 14 1 1 A 29 29 PRO CA C 29 60.107 62.298 -2.191 1
1 120 . 14 1 1 A 30 30 LYS H H 30 8.055 8.027 0.028 1
1 121 . 14 1 1 A 30 30 LYS HA H 30 4.048 4.614 -0.566 1
1 122 . 14 1 1 A 30 30 LYS CA C 30 53.665 55.157 -1.492 1
1 123 . 14 1 1 A 30 30 LYS N N 30 116.627 122.437 -5.810 1
1 124 . 14 1 1 A 31 31 PHE H H 31 6.526 7.520 -0.994 1
1 125 . 14 1 1 A 31 31 PHE HA H 31 4.608 4.521 0.087 1
1 126 . 14 1 1 A 31 31 PHE CA C 31 54.082 58.193 -4.111 1
1 127 . 14 1 1 A 31 31 PHE N N 31 116.828 119.952 -3.124 1
1 128 . 14 1 1 A 32 32 ASP H H 32 8.809 9.024 -0.215 1
1 129 . 14 1 1 A 32 32 ASP HA H 32 4.238 4.433 -0.195 1
1 130 . 14 1 1 A 32 32 ASP CA C 32 54.669 55.570 -0.901 1
1 131 . 14 1 1 A 32 32 ASP N N 32 121.542 123.936 -2.394 1
1 132 . 14 1 1 A 33 33 ASN H H 33 8.540 8.331 0.209 1
1 133 . 14 1 1 A 33 33 ASN HA H 33 4.636 4.918 -0.282 1
1 134 . 14 1 1 A 33 33 ASN CA C 33 51.706 54.378 -2.672 1
1 135 . 14 1 1 A 33 33 ASN N N 33 113.646 114.753 -1.107 1
1 136 . 14 1 1 A 34 34 LYS H H 34 7.737 7.542 0.195 1
1 137 . 14 1 1 A 34 34 LYS HA H 34 4.935 4.467 0.468 1
1 138 . 14 1 1 A 34 34 LYS CA C 34 52.839 55.804 -2.965 1
1 139 . 14 1 1 A 34 34 LYS N N 34 117.519 118.772 -1.253 1
1 140 . 14 1 1 A 35 35 LYS H H 35 6.969 8.163 -1.194 1
1 141 . 14 1 1 A 35 35 LYS HA H 35 4.601 4.365 0.236 1
1 142 . 14 1 1 A 35 35 LYS CA C 35 52.439 55.480 -3.041 1
1 143 . 14 1 1 A 35 35 LYS N N 35 116.846 123.840 -6.994 1
1 144 . 14 1 1 A 36 36 CYS H H 36 8.672 8.210 0.462 1
1 145 . 14 1 1 A 36 36 CYS HA H 36 4.781 4.423 0.358 1
1 146 . 14 1 1 A 36 36 CYS CA C 36 49.490 59.514 -10.024 1
1 147 . 14 1 1 A 36 36 CYS N N 36 118.220 118.117 0.103 1
1 148 . 14 1 1 A 37 37 THR H H 37 10.153 8.601 1.552 1
1 149 . 14 1 1 A 37 37 THR HA H 37 4.287 4.658 -0.371 1
1 150 . 14 1 1 A 37 37 THR CA C 37 60.509 60.748 -0.239 1
1 151 . 14 1 1 A 37 37 THR CB C 37 68.160 69.028 -0.868 1
1 152 . 14 1 1 A 37 37 THR N N 37 121.911 116.295 5.616 1
1 153 . 14 1 1 A 38 38 LYS H H 38 7.346 7.530 -0.184 1
1 154 . 14 1 1 A 38 38 LYS HA H 38 4.235 4.552 -0.317 1
1 155 . 14 1 1 A 38 38 LYS CA C 38 54.060 56.010 -1.950 1
1 156 . 14 1 1 A 38 38 LYS N N 38 122.163 121.920 0.243 1
1 157 . 14 1 1 A 39 39 ASP H H 39 8.827 8.706 0.121 1
1 158 . 14 1 1 A 39 39 ASP HA H 39 4.642 4.252 0.390 1
1 159 . 14 1 1 A 39 39 ASP CA C 39 52.593 55.569 -2.976 1
1 160 . 14 1 1 A 39 39 ASP N N 39 124.992 125.121 -0.129 1
1 161 . 14 1 1 A 40 40 ASN H H 40 9.522 9.191 0.331 1
1 162 . 14 1 1 A 40 40 ASN HA H 40 4.338 4.519 -0.181 1
1 163 . 14 1 1 A 40 40 ASN CA C 40 53.076 54.323 -1.247 1
1 164 . 14 1 1 A 40 40 ASN N N 40 114.854 119.134 -4.280 1
1 165 . 14 1 1 A 41 41 ASN H H 41 7.801 8.068 -0.267 1
1 166 . 14 1 1 A 41 41 ASN HA H 41 4.779 4.751 0.028 1
1 167 . 14 1 1 A 41 41 ASN N N 41 120.270 115.437 4.833 1
1 168 . 14 1 1 A 42 42 LYS H H 42 8.529 8.381 0.148 1
1 169 . 14 1 1 A 42 42 LYS HA H 42 4.469 4.878 -0.409 1
1 170 . 14 1 1 A 42 42 LYS CA C 42 54.420 55.089 -0.669 1
1 171 . 14 1 1 A 42 42 LYS N N 42 119.707 119.863 -0.156 1
1 172 . 14 1 1 A 43 43 CYS H H 43 7.612 8.651 -1.039 1
1 173 . 14 1 1 A 43 43 CYS HA H 43 5.440 5.266 0.174 1
1 174 . 14 1 1 A 43 43 CYS CA C 43 51.081 56.523 -5.442 1
1 175 . 14 1 1 A 43 43 CYS N N 43 113.820 123.350 -9.530 1
1 176 . 14 1 1 A 44 44 THR H H 44 9.039 7.977 1.062 1
1 177 . 14 1 1 A 44 44 THR HA H 44 5.322 5.044 0.278 1
1 178 . 14 1 1 A 44 44 THR CA C 44 57.334 60.727 -3.393 1
1 179 . 14 1 1 A 44 44 THR CB C 44 69.530 71.337 -1.807 1
1 180 . 14 1 1 A 44 44 THR N N 44 113.118 109.786 3.332 1
1 181 . 14 1 1 A 45 45 VAL H H 45 8.647 8.527 0.120 1
1 182 . 14 1 1 A 45 45 VAL HA H 45 4.544 4.878 -0.334 1
1 183 . 14 1 1 A 45 45 VAL CA C 45 58.290 61.533 -3.243 1
1 184 . 14 1 1 A 45 45 VAL N N 45 122.102 120.985 1.117 1
1 185 . 14 1 1 A 46 46 ASP H H 46 8.624 8.916 -0.292 1
1 186 . 14 1 1 A 46 46 ASP HA H 46 5.396 4.887 0.509 1
1 187 . 14 1 1 A 46 46 ASP CA C 46 49.354 54.462 -5.108 1
1 188 . 14 1 1 A 46 46 ASP N N 46 126.564 128.224 -1.660 1
1 189 . 14 1 1 A 47 47 THR H H 47 9.122 8.464 0.658 1
1 190 . 14 1 1 A 47 47 THR HA H 47 4.274 4.379 -0.105 1
1 191 . 14 1 1 A 47 47 THR CA C 47 60.700 64.024 -3.324 1
1 192 . 14 1 1 A 47 47 THR CB C 47 66.440 69.276 -2.836 1
1 193 . 14 1 1 A 47 47 THR N N 47 114.486 119.217 -4.731 1
1 194 . 14 1 1 A 48 48 TYR H H 48 8.834 7.674 1.160 1
1 195 . 14 1 1 A 48 48 TYR HA H 48 4.476 4.146 0.330 1
1 196 . 14 1 1 A 48 48 TYR CA C 48 57.699 61.726 -4.027 1
1 197 . 14 1 1 A 48 48 TYR N N 48 123.919 123.438 0.481 1
1 198 . 14 1 1 A 49 49 ASN H H 49 7.563 8.567 -1.004 1
1 199 . 14 1 1 A 49 49 ASN HA H 49 4.569 5.049 -0.480 1
1 200 . 14 1 1 A 49 49 ASN CA C 49 49.441 52.249 -2.808 1
1 201 . 14 1 1 A 49 49 ASN N N 49 113.858 116.735 -2.877 1
1 202 . 14 1 1 A 50 50 ASN H H 50 7.915 8.220 -0.305 1
1 203 . 14 1 1 A 50 50 ASN HA H 50 4.288 4.703 -0.415 1
1 204 . 14 1 1 A 50 50 ASN CA C 50 51.746 53.956 -2.210 1
1 205 . 14 1 1 A 50 50 ASN N N 50 117.382 118.129 -0.747 1
1 206 . 14 1 1 A 51 51 ALA H H 51 7.904 7.826 0.078 1
1 207 . 14 1 1 A 51 51 ALA HA H 51 4.520 4.623 -0.103 1
1 208 . 14 1 1 A 51 51 ALA CA C 51 49.621 50.906 -1.285 1
1 209 . 14 1 1 A 51 51 ALA CB C 51 17.920 19.860 -1.940 1
1 210 . 14 1 1 A 51 51 ALA N N 51 121.152 119.465 1.687 1
1 211 . 14 1 1 A 52 52 VAL H H 52 8.317 8.968 -0.651 1
1 212 . 14 1 1 A 52 52 VAL HA H 52 4.956 4.770 0.186 1
1 213 . 14 1 1 A 52 52 VAL CA C 52 58.076 61.621 -3.545 1
1 214 . 14 1 1 A 52 52 VAL N N 52 125.803 124.223 1.580 1
1 215 . 14 1 1 A 53 53 ASP H H 53 8.668 8.791 -0.123 1
1 216 . 14 1 1 A 53 53 ASP HA H 53 4.944 5.311 -0.367 1
1 217 . 14 1 1 A 53 53 ASP CA C 53 50.581 52.525 -1.944 1
1 218 . 14 1 1 A 53 53 ASP N N 53 126.104 125.868 0.236 1
1 219 . 14 1 1 A 54 54 CYS H H 54 8.563 8.820 -0.257 1
1 220 . 14 1 1 A 54 54 CYS HA H 54 4.776 4.967 -0.191 1
1 221 . 14 1 1 A 54 54 CYS CA C 54 53.462 56.710 -3.248 1
1 222 . 14 1 1 A 54 54 CYS N N 54 123.741 116.688 7.053 1
1 4 . 15 1 1 A 2 2 LYS H H 2 8.219 8.767 -0.548 1
1 5 . 15 1 1 A 2 2 LYS HA H 2 5.318 5.007 0.311 1
1 6 . 15 1 1 A 2 2 LYS CA C 2 52.348 54.312 -1.964 1
1 7 . 15 1 1 A 2 2 LYS N N 2 120.076 117.964 2.112 1
1 8 . 15 1 1 A 3 3 TYR H H 3 8.999 8.771 0.228 1
1 9 . 15 1 1 A 3 3 TYR HA H 3 4.883 5.287 -0.404 1
1 10 . 15 1 1 A 3 3 TYR CA C 3 53.848 56.442 -2.594 1
1 11 . 15 1 1 A 3 3 TYR N N 3 122.800 117.556 5.244 1
1 12 . 15 1 1 A 4 4 THR H H 4 8.885 8.629 0.256 1
1 13 . 15 1 1 A 4 4 THR HA H 4 5.117 5.149 -0.032 1
1 14 . 15 1 1 A 4 4 THR CA C 4 58.871 60.551 -1.680 1
1 15 . 15 1 1 A 4 4 THR CB C 4 67.850 70.672 -2.822 1
1 16 . 15 1 1 A 4 4 THR N N 4 117.092 117.538 -0.446 1
1 17 . 15 1 1 A 5 5 GLY H H 5 9.159 8.222 0.937 1
1 18 . 15 1 1 A 5 5 GLY HA2 H 5 4.075 4.315 -0.240 1
1 19 . 15 1 1 A 5 5 GLY HA3 H 5 4.075 4.323 -0.248 1
1 20 . 15 1 1 A 5 5 GLY CA C 5 42.597 45.631 -3.034 1
1 21 . 15 1 1 A 5 5 GLY N N 5 115.357 112.304 3.053 1
1 22 . 15 1 1 A 6 6 LYS H H 6 8.495 8.898 -0.403 1
1 23 . 15 1 1 A 6 6 LYS HA H 6 5.460 5.133 0.327 1
1 24 . 15 1 1 A 6 6 LYS CA C 6 51.686 54.972 -3.286 1
1 25 . 15 1 1 A 6 6 LYS N N 6 121.225 119.450 1.775 1
1 26 . 15 1 1 A 7 7 CYS H H 7 9.847 8.736 1.111 1
1 27 . 15 1 1 A 7 7 CYS HA H 7 6.406 5.375 1.031 1
1 28 . 15 1 1 A 7 7 CYS CA C 7 50.542 57.768 -7.226 1
1 29 . 15 1 1 A 7 7 CYS N N 7 122.602 118.667 3.935 1
1 30 . 15 1 1 A 8 8 THR H H 8 8.726 8.424 0.302 1
1 31 . 15 1 1 A 8 8 THR HA H 8 4.793 4.915 -0.122 1
1 32 . 15 1 1 A 8 8 THR CA C 8 57.418 60.773 -3.355 1
1 33 . 15 1 1 A 8 8 THR CB C 8 68.450 71.806 -3.356 1
1 34 . 15 1 1 A 8 8 THR N N 8 113.380 112.280 1.100 1
1 35 . 15 1 1 A 9 9 LYS H H 9 8.993 8.838 0.155 1
1 36 . 15 1 1 A 9 9 LYS HA H 9 3.627 4.077 -0.450 1
1 37 . 15 1 1 A 9 9 LYS CA C 9 57.323 59.050 -1.727 1
1 38 . 15 1 1 A 9 9 LYS N N 9 127.577 122.924 4.653 1
1 39 . 15 1 1 A 10 10 SER H H 10 9.424 7.901 1.523 1
1 40 . 15 1 1 A 10 10 SER HA H 10 4.094 4.489 -0.395 1
1 41 . 15 1 1 A 10 10 SER CA C 10 59.187 58.311 0.876 1
1 42 . 15 1 1 A 10 10 SER CB C 10 59.200 63.165 -3.965 1
1 43 . 15 1 1 A 10 10 SER N N 10 116.462 110.896 5.566 1
1 44 . 15 1 1 A 11 11 LYS H H 11 7.083 7.708 -0.625 1
1 45 . 15 1 1 A 11 11 LYS HA H 11 4.258 4.544 -0.286 1
1 46 . 15 1 1 A 11 11 LYS CA C 11 53.366 56.153 -2.787 1
1 47 . 15 1 1 A 11 11 LYS N N 11 117.002 121.333 -4.331 1
1 48 . 15 1 1 A 12 12 ASN H H 12 7.681 8.995 -1.314 1
1 49 . 15 1 1 A 12 12 ASN HA H 12 4.646 4.829 -0.183 1
1 50 . 15 1 1 A 12 12 ASN CA C 12 51.004 52.272 -1.268 1
1 51 . 15 1 1 A 12 12 ASN N N 12 120.475 125.479 -5.004 1
1 52 . 15 1 1 A 13 13 GLU H H 13 7.314 8.136 -0.822 1
1 53 . 15 1 1 A 13 13 GLU HA H 13 4.960 5.052 -0.092 1
1 54 . 15 1 1 A 13 13 GLU CA C 13 52.227 54.537 -2.310 1
1 55 . 15 1 1 A 13 13 GLU N N 13 114.791 118.861 -4.070 1
1 56 . 15 1 1 A 14 14 CYS H H 14 9.691 8.733 0.958 1
1 57 . 15 1 1 A 14 14 CYS HA H 14 4.738 4.609 0.129 1
1 58 . 15 1 1 A 14 14 CYS N N 14 123.353 121.430 1.923 1
1 59 . 15 1 1 A 15 15 LYS H H 15 8.714 8.653 0.061 1
1 60 . 15 1 1 A 15 15 LYS HA H 15 5.015 4.330 0.685 1
1 61 . 15 1 1 A 15 15 LYS CA C 15 51.724 54.822 -3.098 1
1 62 . 15 1 1 A 15 15 LYS N N 15 130.540 121.040 9.500 1
1 63 . 15 1 1 A 16 16 TYR H H 16 9.038 8.791 0.247 1
1 64 . 15 1 1 A 16 16 TYR HA H 16 4.993 5.367 -0.374 1
1 65 . 15 1 1 A 16 16 TYR CA C 16 52.239 55.014 -2.775 1
1 66 . 15 1 1 A 16 16 TYR N N 16 126.577 119.171 7.406 1
1 67 . 15 1 1 A 17 17 LYS H H 17 8.453 8.579 -0.126 1
1 68 . 15 1 1 A 17 17 LYS HA H 17 4.504 4.527 -0.023 1
1 69 . 15 1 1 A 17 17 LYS CA C 17 51.878 54.664 -2.786 1
1 70 . 15 1 1 A 17 17 LYS N N 17 120.816 118.854 1.962 1
1 71 . 15 1 1 A 18 18 ASN H H 18 7.811 7.730 0.081 1
1 72 . 15 1 1 A 18 18 ASN HA H 18 4.181 4.829 -0.648 1
1 73 . 15 1 1 A 18 18 ASN CA C 18 48.245 50.887 -2.642 1
1 74 . 15 1 1 A 18 18 ASN N N 18 122.171 123.326 -1.155 1
1 75 . 15 1 1 A 19 19 ASP H H 19 8.284 9.171 -0.887 1
1 76 . 15 1 1 A 19 19 ASP HA H 19 4.469 4.502 -0.033 1
1 77 . 15 1 1 A 19 19 ASP CA C 19 54.562 56.211 -1.649 1
1 78 . 15 1 1 A 19 19 ASP N N 19 117.497 118.826 -1.329 1
1 79 . 15 1 1 A 20 20 ALA H H 20 7.482 8.214 -0.732 1
1 80 . 15 1 1 A 20 20 ALA HA H 20 4.471 4.466 0.005 1
1 81 . 15 1 1 A 20 20 ALA CA C 20 48.893 51.289 -2.396 1
1 82 . 15 1 1 A 20 20 ALA CB C 20 16.190 19.488 -3.298 1
1 83 . 15 1 1 A 20 20 ALA N N 20 120.920 119.270 1.650 1
1 84 . 15 1 1 A 21 21 GLY H H 21 8.229 7.493 0.736 1
1 85 . 15 1 1 A 21 21 GLY HA2 H 21 4.173 3.999 0.174 1
1 86 . 15 1 1 A 21 21 GLY HA3 H 21 4.173 4.019 0.154 1
1 87 . 15 1 1 A 21 21 GLY CA C 21 43.316 45.183 -1.867 1
1 88 . 15 1 1 A 21 21 GLY N N 21 107.360 106.317 1.043 1
1 89 . 15 1 1 A 22 22 LYS H H 22 7.721 7.548 0.173 1
1 90 . 15 1 1 A 22 22 LYS HA H 22 4.390 4.183 0.207 1
1 91 . 15 1 1 A 22 22 LYS CA C 22 51.822 55.608 -3.786 1
1 92 . 15 1 1 A 22 22 LYS N N 22 120.479 119.852 0.627 1
1 93 . 15 1 1 A 23 23 ASP H H 23 8.641 8.502 0.139 1
1 94 . 15 1 1 A 23 23 ASP HA H 23 4.365 4.352 0.013 1
1 95 . 15 1 1 A 23 23 ASP CA C 23 53.040 54.748 -1.708 1
1 96 . 15 1 1 A 23 23 ASP N N 23 126.541 124.903 1.638 1
1 97 . 15 1 1 A 24 24 THR H H 24 8.829 8.407 0.422 1
1 98 . 15 1 1 A 24 24 THR HA H 24 4.098 4.745 -0.647 1
1 99 . 15 1 1 A 24 24 THR CA C 24 59.221 61.041 -1.820 1
1 100 . 15 1 1 A 24 24 THR CB C 24 67.990 71.481 -3.491 1
1 101 . 15 1 1 A 24 24 THR N N 24 122.790 117.286 5.504 1
1 102 . 15 1 1 A 25 25 PHE H H 25 8.328 8.928 -0.600 1
1 103 . 15 1 1 A 25 25 PHE HA H 25 5.474 5.554 -0.080 1
1 104 . 15 1 1 A 25 25 PHE CA C 25 53.722 56.318 -2.596 1
1 105 . 15 1 1 A 25 25 PHE N N 25 122.281 124.313 -2.032 1
1 106 . 15 1 1 A 26 26 ILE H H 26 9.138 9.023 0.115 1
1 107 . 15 1 1 A 26 26 ILE HA H 26 4.671 4.820 -0.149 1
1 108 . 15 1 1 A 26 26 ILE CA C 26 57.078 59.715 -2.637 1
1 109 . 15 1 1 A 26 26 ILE N N 26 123.064 123.040 0.024 1
1 110 . 15 1 1 A 27 27 LYS H H 27 8.358 8.590 -0.232 1
1 111 . 15 1 1 A 27 27 LYS HA H 27 4.280 4.574 -0.294 1
1 112 . 15 1 1 A 27 27 LYS CA C 27 55.254 57.011 -1.757 1
1 113 . 15 1 1 A 27 27 LYS N N 27 127.092 127.592 -0.500 1
1 114 . 15 1 1 A 28 28 CYS H H 28 8.521 8.777 -0.256 1
1 115 . 15 1 1 A 28 28 CYS HA H 28 4.653 4.807 -0.154 1
1 116 . 15 1 1 A 28 28 CYS CA C 28 54.049 58.059 -4.010 1
1 117 . 15 1 1 A 28 28 CYS N N 28 119.722 122.149 -2.427 1
1 118 . 15 1 1 A 29 29 PRO HA H 29 4.427 4.778 -0.351 1
1 119 . 15 1 1 A 29 29 PRO CA C 29 60.107 62.449 -2.342 1
1 120 . 15 1 1 A 30 30 LYS H H 30 8.055 8.630 -0.575 1
1 121 . 15 1 1 A 30 30 LYS HA H 30 4.048 4.597 -0.549 1
1 122 . 15 1 1 A 30 30 LYS CA C 30 53.665 55.238 -1.573 1
1 123 . 15 1 1 A 30 30 LYS N N 30 116.627 123.022 -6.395 1
1 124 . 15 1 1 A 31 31 PHE H H 31 6.526 7.240 -0.714 1
1 125 . 15 1 1 A 31 31 PHE HA H 31 4.608 4.767 -0.159 1
1 126 . 15 1 1 A 31 31 PHE CA C 31 54.082 56.832 -2.750 1
1 127 . 15 1 1 A 31 31 PHE N N 31 116.828 119.295 -2.467 1
1 128 . 15 1 1 A 32 32 ASP H H 32 8.809 7.935 0.874 1
1 129 . 15 1 1 A 32 32 ASP HA H 32 4.238 4.764 -0.526 1
1 130 . 15 1 1 A 32 32 ASP CA C 32 54.669 54.673 -0.004 1
1 131 . 15 1 1 A 32 32 ASP N N 32 121.542 118.966 2.576 1
1 132 . 15 1 1 A 33 33 ASN H H 33 8.540 8.799 -0.259 1
1 133 . 15 1 1 A 33 33 ASN HA H 33 4.636 4.761 -0.125 1
1 134 . 15 1 1 A 33 33 ASN CA C 33 51.706 54.053 -2.347 1
1 135 . 15 1 1 A 33 33 ASN N N 33 113.646 115.210 -1.564 1
1 136 . 15 1 1 A 34 34 LYS H H 34 7.737 7.505 0.232 1
1 137 . 15 1 1 A 34 34 LYS HA H 34 4.935 4.424 0.511 1
1 138 . 15 1 1 A 34 34 LYS CA C 34 52.839 55.891 -3.052 1
1 139 . 15 1 1 A 34 34 LYS N N 34 117.519 118.970 -1.451 1
1 140 . 15 1 1 A 35 35 LYS H H 35 6.969 8.542 -1.573 1
1 141 . 15 1 1 A 35 35 LYS HA H 35 4.601 4.873 -0.272 1
1 142 . 15 1 1 A 35 35 LYS CA C 35 52.439 55.711 -3.272 1
1 143 . 15 1 1 A 35 35 LYS N N 35 116.846 125.011 -8.165 1
1 144 . 15 1 1 A 36 36 CYS H H 36 8.672 8.632 0.040 1
1 145 . 15 1 1 A 36 36 CYS HA H 36 4.781 4.540 0.241 1
1 146 . 15 1 1 A 36 36 CYS CA C 36 49.490 59.964 -10.474 1
1 147 . 15 1 1 A 36 36 CYS N N 36 118.220 124.083 -5.863 1
1 148 . 15 1 1 A 37 37 THR H H 37 10.153 8.760 1.393 1
1 149 . 15 1 1 A 37 37 THR HA H 37 4.287 4.692 -0.405 1
1 150 . 15 1 1 A 37 37 THR CA C 37 60.509 60.644 -0.135 1
1 151 . 15 1 1 A 37 37 THR CB C 37 68.160 68.943 -0.783 1
1 152 . 15 1 1 A 37 37 THR N N 37 121.911 115.168 6.743 1
1 153 . 15 1 1 A 38 38 LYS H H 38 7.346 7.576 -0.230 1
1 154 . 15 1 1 A 38 38 LYS HA H 38 4.235 4.841 -0.606 1
1 155 . 15 1 1 A 38 38 LYS CA C 38 54.060 54.822 -0.762 1
1 156 . 15 1 1 A 38 38 LYS N N 38 122.163 121.182 0.981 1
1 157 . 15 1 1 A 39 39 ASP H H 39 8.827 8.625 0.202 1
1 158 . 15 1 1 A 39 39 ASP HA H 39 4.642 4.766 -0.124 1
1 159 . 15 1 1 A 39 39 ASP CA C 39 52.593 54.441 -1.848 1
1 160 . 15 1 1 A 39 39 ASP N N 39 124.992 121.673 3.319 1
1 161 . 15 1 1 A 40 40 ASN H H 40 9.522 9.197 0.325 1
1 162 . 15 1 1 A 40 40 ASN HA H 40 4.338 4.512 -0.174 1
1 163 . 15 1 1 A 40 40 ASN CA C 40 53.076 54.495 -1.419 1
1 164 . 15 1 1 A 40 40 ASN N N 40 114.854 117.250 -2.396 1
1 165 . 15 1 1 A 41 41 ASN H H 41 7.801 8.242 -0.441 1
1 166 . 15 1 1 A 41 41 ASN HA H 41 4.779 4.477 0.302 1
1 167 . 15 1 1 A 41 41 ASN N N 41 120.270 115.718 4.552 1
1 168 . 15 1 1 A 42 42 LYS H H 42 8.529 7.615 0.914 1
1 169 . 15 1 1 A 42 42 LYS HA H 42 4.469 4.671 -0.202 1
1 170 . 15 1 1 A 42 42 LYS CA C 42 54.420 55.811 -1.391 1
1 171 . 15 1 1 A 42 42 LYS N N 42 119.707 117.912 1.795 1
1 172 . 15 1 1 A 43 43 CYS H H 43 7.612 8.324 -0.712 1
1 173 . 15 1 1 A 43 43 CYS HA H 43 5.440 4.972 0.468 1
1 174 . 15 1 1 A 43 43 CYS CA C 43 51.081 58.294 -7.213 1
1 175 . 15 1 1 A 43 43 CYS N N 43 113.820 121.926 -8.106 1
1 176 . 15 1 1 A 44 44 THR H H 44 9.039 8.383 0.656 1
1 177 . 15 1 1 A 44 44 THR HA H 44 5.322 5.160 0.162 1
1 178 . 15 1 1 A 44 44 THR CA C 44 57.334 60.206 -2.872 1
1 179 . 15 1 1 A 44 44 THR CB C 44 69.530 71.657 -2.127 1
1 180 . 15 1 1 A 44 44 THR N N 44 113.118 114.060 -0.942 1
1 181 . 15 1 1 A 45 45 VAL H H 45 8.647 8.474 0.173 1
1 182 . 15 1 1 A 45 45 VAL HA H 45 4.544 4.676 -0.132 1
1 183 . 15 1 1 A 45 45 VAL CA C 45 58.290 61.495 -3.205 1
1 184 . 15 1 1 A 45 45 VAL N N 45 122.102 121.208 0.894 1
1 185 . 15 1 1 A 46 46 ASP H H 46 8.624 9.224 -0.600 1
1 186 . 15 1 1 A 46 46 ASP HA H 46 5.396 4.913 0.483 1
1 187 . 15 1 1 A 46 46 ASP CA C 46 49.354 54.325 -4.971 1
1 188 . 15 1 1 A 46 46 ASP N N 46 126.564 128.346 -1.782 1
1 189 . 15 1 1 A 47 47 THR H H 47 9.122 8.716 0.406 1
1 190 . 15 1 1 A 47 47 THR HA H 47 4.274 4.217 0.057 1
1 191 . 15 1 1 A 47 47 THR CA C 47 60.700 64.703 -4.003 1
1 192 . 15 1 1 A 47 47 THR CB C 47 66.440 68.866 -2.426 1
1 193 . 15 1 1 A 47 47 THR N N 47 114.486 118.173 -3.687 1
1 194 . 15 1 1 A 48 48 TYR H H 48 8.834 8.067 0.767 1
1 195 . 15 1 1 A 48 48 TYR HA H 48 4.476 4.151 0.325 1
1 196 . 15 1 1 A 48 48 TYR CA C 48 57.699 61.772 -4.073 1
1 197 . 15 1 1 A 48 48 TYR N N 48 123.919 123.944 -0.025 1
1 198 . 15 1 1 A 49 49 ASN H H 49 7.563 7.878 -0.315 1
1 199 . 15 1 1 A 49 49 ASN HA H 49 4.569 4.785 -0.216 1
1 200 . 15 1 1 A 49 49 ASN CA C 49 49.441 51.955 -2.514 1
1 201 . 15 1 1 A 49 49 ASN N N 49 113.858 116.091 -2.233 1
1 202 . 15 1 1 A 50 50 ASN H H 50 7.915 8.144 -0.229 1
1 203 . 15 1 1 A 50 50 ASN HA H 50 4.288 4.384 -0.096 1
1 204 . 15 1 1 A 50 50 ASN CA C 50 51.746 53.931 -2.185 1
1 205 . 15 1 1 A 50 50 ASN N N 50 117.382 118.002 -0.620 1
1 206 . 15 1 1 A 51 51 ALA H H 51 7.904 7.845 0.059 1
1 207 . 15 1 1 A 51 51 ALA HA H 51 4.520 4.724 -0.204 1
1 208 . 15 1 1 A 51 51 ALA CA C 51 49.621 50.657 -1.036 1
1 209 . 15 1 1 A 51 51 ALA CB C 51 17.920 20.030 -2.110 1
1 210 . 15 1 1 A 51 51 ALA N N 51 121.152 119.653 1.499 1
1 211 . 15 1 1 A 52 52 VAL H H 52 8.317 8.999 -0.682 1
1 212 . 15 1 1 A 52 52 VAL HA H 52 4.956 4.969 -0.013 1
1 213 . 15 1 1 A 52 52 VAL CA C 52 58.076 61.392 -3.316 1
1 214 . 15 1 1 A 52 52 VAL N N 52 125.803 123.700 2.103 1
1 215 . 15 1 1 A 53 53 ASP H H 53 8.668 8.838 -0.170 1
1 216 . 15 1 1 A 53 53 ASP HA H 53 4.944 5.087 -0.143 1
1 217 . 15 1 1 A 53 53 ASP CA C 53 50.581 52.313 -1.732 1
1 218 . 15 1 1 A 53 53 ASP N N 53 126.104 125.349 0.755 1
1 219 . 15 1 1 A 54 54 CYS H H 54 8.563 8.609 -0.046 1
1 220 . 15 1 1 A 54 54 CYS HA H 54 4.776 4.848 -0.072 1
1 221 . 15 1 1 A 54 54 CYS CA C 54 53.462 57.833 -4.371 1
1 222 . 15 1 1 A 54 54 CYS N N 54 123.741 117.663 6.078 1
1 4 . 16 1 1 A 2 2 LYS H H 2 8.219 8.067 0.152 1
1 5 . 16 1 1 A 2 2 LYS HA H 2 5.318 4.593 0.725 1
1 6 . 16 1 1 A 2 2 LYS CA C 2 52.348 54.111 -1.763 1
1 7 . 16 1 1 A 2 2 LYS N N 2 120.076 116.959 3.117 1
1 8 . 16 1 1 A 3 3 TYR H H 3 8.999 8.652 0.347 1
1 9 . 16 1 1 A 3 3 TYR HA H 3 4.883 5.206 -0.323 1
1 10 . 16 1 1 A 3 3 TYR CA C 3 53.848 56.135 -2.287 1
1 11 . 16 1 1 A 3 3 TYR N N 3 122.800 117.949 4.851 1
1 12 . 16 1 1 A 4 4 THR H H 4 8.885 8.736 0.149 1
1 13 . 16 1 1 A 4 4 THR HA H 4 5.117 5.212 -0.095 1
1 14 . 16 1 1 A 4 4 THR CA C 4 58.871 59.705 -0.834 1
1 15 . 16 1 1 A 4 4 THR CB C 4 67.850 72.019 -4.169 1
1 16 . 16 1 1 A 4 4 THR N N 4 117.092 115.950 1.142 1
1 17 . 16 1 1 A 5 5 GLY H H 5 9.159 8.170 0.989 1
1 18 . 16 1 1 A 5 5 GLY HA2 H 5 4.075 4.386 -0.311 1
1 19 . 16 1 1 A 5 5 GLY HA3 H 5 4.075 4.403 -0.328 1
1 20 . 16 1 1 A 5 5 GLY CA C 5 42.597 45.941 -3.344 1
1 21 . 16 1 1 A 5 5 GLY N N 5 115.357 113.060 2.297 1
1 22 . 16 1 1 A 6 6 LYS H H 6 8.495 8.576 -0.081 1
1 23 . 16 1 1 A 6 6 LYS HA H 6 5.460 5.136 0.324 1
1 24 . 16 1 1 A 6 6 LYS CA C 6 51.686 54.775 -3.089 1
1 25 . 16 1 1 A 6 6 LYS N N 6 121.225 120.240 0.985 1
1 26 . 16 1 1 A 7 7 CYS H H 7 9.847 8.707 1.140 1
1 27 . 16 1 1 A 7 7 CYS HA H 7 6.406 5.312 1.094 1
1 28 . 16 1 1 A 7 7 CYS CA C 7 50.542 57.619 -7.077 1
1 29 . 16 1 1 A 7 7 CYS N N 7 122.602 119.844 2.758 1
1 30 . 16 1 1 A 8 8 THR H H 8 8.726 8.368 0.358 1
1 31 . 16 1 1 A 8 8 THR HA H 8 4.793 4.826 -0.033 1
1 32 . 16 1 1 A 8 8 THR CA C 8 57.418 60.058 -2.640 1
1 33 . 16 1 1 A 8 8 THR CB C 8 68.450 71.109 -2.659 1
1 34 . 16 1 1 A 8 8 THR N N 8 113.380 117.978 -4.598 1
1 35 . 16 1 1 A 9 9 LYS H H 9 8.993 8.860 0.133 1
1 36 . 16 1 1 A 9 9 LYS HA H 9 3.627 4.046 -0.419 1
1 37 . 16 1 1 A 9 9 LYS CA C 9 57.323 59.147 -1.824 1
1 38 . 16 1 1 A 9 9 LYS N N 9 127.577 127.797 -0.220 1
1 39 . 16 1 1 A 10 10 SER H H 10 9.424 8.065 1.359 1
1 40 . 16 1 1 A 10 10 SER HA H 10 4.094 4.513 -0.419 1
1 41 . 16 1 1 A 10 10 SER CA C 10 59.187 58.226 0.961 1
1 42 . 16 1 1 A 10 10 SER CB C 10 59.200 63.215 -4.015 1
1 43 . 16 1 1 A 10 10 SER N N 10 116.462 109.844 6.618 1
1 44 . 16 1 1 A 11 11 LYS H H 11 7.083 7.282 -0.199 1
1 45 . 16 1 1 A 11 11 LYS HA H 11 4.258 4.605 -0.347 1
1 46 . 16 1 1 A 11 11 LYS CA C 11 53.366 55.981 -2.615 1
1 47 . 16 1 1 A 11 11 LYS N N 11 117.002 121.502 -4.500 1
1 48 . 16 1 1 A 12 12 ASN H H 12 7.681 9.001 -1.320 1
1 49 . 16 1 1 A 12 12 ASN HA H 12 4.646 4.892 -0.246 1
1 50 . 16 1 1 A 12 12 ASN CA C 12 51.004 52.052 -1.048 1
1 51 . 16 1 1 A 12 12 ASN N N 12 120.475 124.860 -4.385 1
1 52 . 16 1 1 A 13 13 GLU H H 13 7.314 7.600 -0.286 1
1 53 . 16 1 1 A 13 13 GLU HA H 13 4.960 4.980 -0.020 1
1 54 . 16 1 1 A 13 13 GLU CA C 13 52.227 54.468 -2.241 1
1 55 . 16 1 1 A 13 13 GLU N N 13 114.791 119.035 -4.244 1
1 56 . 16 1 1 A 14 14 CYS H H 14 9.691 8.740 0.951 1
1 57 . 16 1 1 A 14 14 CYS HA H 14 4.738 4.667 0.071 1
1 58 . 16 1 1 A 14 14 CYS N N 14 123.353 122.501 0.852 1
1 59 . 16 1 1 A 15 15 LYS H H 15 8.714 8.512 0.202 1
1 60 . 16 1 1 A 15 15 LYS HA H 15 5.015 3.883 1.132 1
1 61 . 16 1 1 A 15 15 LYS CA C 15 51.724 55.900 -4.176 1
1 62 . 16 1 1 A 15 15 LYS N N 15 130.540 123.257 7.283 1
1 63 . 16 1 1 A 16 16 TYR H H 16 9.038 7.986 1.052 1
1 64 . 16 1 1 A 16 16 TYR HA H 16 4.993 5.290 -0.297 1
1 65 . 16 1 1 A 16 16 TYR CA C 16 52.239 54.956 -2.717 1
1 66 . 16 1 1 A 16 16 TYR N N 16 126.577 118.542 8.035 1
1 67 . 16 1 1 A 17 17 LYS H H 17 8.453 8.605 -0.152 1
1 68 . 16 1 1 A 17 17 LYS HA H 17 4.504 5.158 -0.654 1
1 69 . 16 1 1 A 17 17 LYS CA C 17 51.878 54.275 -2.397 1
1 70 . 16 1 1 A 17 17 LYS N N 17 120.816 118.921 1.895 1
1 71 . 16 1 1 A 18 18 ASN H H 18 7.811 8.487 -0.676 1
1 72 . 16 1 1 A 18 18 ASN HA H 18 4.181 5.220 -1.039 1
1 73 . 16 1 1 A 18 18 ASN CA C 18 48.245 50.973 -2.728 1
1 74 . 16 1 1 A 18 18 ASN N N 18 122.171 120.660 1.511 1
1 75 . 16 1 1 A 19 19 ASP H H 19 8.284 9.331 -1.047 1
1 76 . 16 1 1 A 19 19 ASP HA H 19 4.469 4.523 -0.054 1
1 77 . 16 1 1 A 19 19 ASP CA C 19 54.562 56.272 -1.710 1
1 78 . 16 1 1 A 19 19 ASP N N 19 117.497 118.567 -1.070 1
1 79 . 16 1 1 A 20 20 ALA H H 20 7.482 8.204 -0.722 1
1 80 . 16 1 1 A 20 20 ALA HA H 20 4.471 4.475 -0.004 1
1 81 . 16 1 1 A 20 20 ALA CA C 20 48.893 51.308 -2.415 1
1 82 . 16 1 1 A 20 20 ALA CB C 20 16.190 19.492 -3.302 1
1 83 . 16 1 1 A 20 20 ALA N N 20 120.920 119.190 1.730 1
1 84 . 16 1 1 A 21 21 GLY H H 21 8.229 7.949 0.280 1
1 85 . 16 1 1 A 21 21 GLY HA2 H 21 4.173 4.043 0.130 1
1 86 . 16 1 1 A 21 21 GLY HA3 H 21 4.173 4.046 0.127 1
1 87 . 16 1 1 A 21 21 GLY CA C 21 43.316 45.157 -1.841 1
1 88 . 16 1 1 A 21 21 GLY N N 21 107.360 106.151 1.209 1
1 89 . 16 1 1 A 22 22 LYS H H 22 7.721 7.780 -0.059 1
1 90 . 16 1 1 A 22 22 LYS HA H 22 4.390 4.278 0.112 1
1 91 . 16 1 1 A 22 22 LYS CA C 22 51.822 55.649 -3.827 1
1 92 . 16 1 1 A 22 22 LYS N N 22 120.479 120.978 -0.499 1
1 93 . 16 1 1 A 23 23 ASP H H 23 8.641 8.457 0.184 1
1 94 . 16 1 1 A 23 23 ASP HA H 23 4.365 4.265 0.100 1
1 95 . 16 1 1 A 23 23 ASP CA C 23 53.040 54.759 -1.719 1
1 96 . 16 1 1 A 23 23 ASP N N 23 126.541 125.529 1.012 1
1 97 . 16 1 1 A 24 24 THR H H 24 8.829 8.291 0.538 1
1 98 . 16 1 1 A 24 24 THR HA H 24 4.098 4.644 -0.546 1
1 99 . 16 1 1 A 24 24 THR CA C 24 59.221 60.590 -1.369 1
1 100 . 16 1 1 A 24 24 THR CB C 24 67.990 70.978 -2.988 1
1 101 . 16 1 1 A 24 24 THR N N 24 122.790 117.340 5.450 1
1 102 . 16 1 1 A 25 25 PHE H H 25 8.328 8.774 -0.446 1
1 103 . 16 1 1 A 25 25 PHE HA H 25 5.474 5.329 0.145 1
1 104 . 16 1 1 A 25 25 PHE CA C 25 53.722 56.125 -2.403 1
1 105 . 16 1 1 A 25 25 PHE N N 25 122.281 124.399 -2.118 1
1 106 . 16 1 1 A 26 26 ILE H H 26 9.138 8.788 0.350 1
1 107 . 16 1 1 A 26 26 ILE HA H 26 4.671 4.663 0.008 1
1 108 . 16 1 1 A 26 26 ILE CA C 26 57.078 60.020 -2.942 1
1 109 . 16 1 1 A 26 26 ILE N N 26 123.064 122.891 0.173 1
1 110 . 16 1 1 A 27 27 LYS H H 27 8.358 8.626 -0.268 1
1 111 . 16 1 1 A 27 27 LYS HA H 27 4.280 4.487 -0.207 1
1 112 . 16 1 1 A 27 27 LYS CA C 27 55.254 57.389 -2.135 1
1 113 . 16 1 1 A 27 27 LYS N N 27 127.092 128.297 -1.205 1
1 114 . 16 1 1 A 28 28 CYS H H 28 8.521 8.559 -0.038 1
1 115 . 16 1 1 A 28 28 CYS HA H 28 4.653 4.639 0.014 1
1 116 . 16 1 1 A 28 28 CYS CA C 28 54.049 58.411 -4.362 1
1 117 . 16 1 1 A 28 28 CYS N N 28 119.722 122.484 -2.762 1
1 118 . 16 1 1 A 29 29 PRO HA H 29 4.427 4.370 0.057 1
1 119 . 16 1 1 A 29 29 PRO CA C 29 60.107 62.182 -2.075 1
1 120 . 16 1 1 A 30 30 LYS H H 30 8.055 8.195 -0.140 1
1 121 . 16 1 1 A 30 30 LYS HA H 30 4.048 4.655 -0.607 1
1 122 . 16 1 1 A 30 30 LYS CA C 30 53.665 55.045 -1.380 1
1 123 . 16 1 1 A 30 30 LYS N N 30 116.627 122.691 -6.064 1
1 124 . 16 1 1 A 31 31 PHE H H 31 6.526 8.492 -1.966 1
1 125 . 16 1 1 A 31 31 PHE HA H 31 4.608 4.656 -0.048 1
1 126 . 16 1 1 A 31 31 PHE CA C 31 54.082 57.982 -3.900 1
1 127 . 16 1 1 A 31 31 PHE N N 31 116.828 123.636 -6.808 1
1 128 . 16 1 1 A 32 32 ASP H H 32 8.809 8.819 -0.010 1
1 129 . 16 1 1 A 32 32 ASP HA H 32 4.238 4.576 -0.338 1
1 130 . 16 1 1 A 32 32 ASP CA C 32 54.669 55.227 -0.558 1
1 131 . 16 1 1 A 32 32 ASP N N 32 121.542 120.780 0.762 1
1 132 . 16 1 1 A 33 33 ASN H H 33 8.540 8.646 -0.106 1
1 133 . 16 1 1 A 33 33 ASN HA H 33 4.636 4.954 -0.318 1
1 134 . 16 1 1 A 33 33 ASN CA C 33 51.706 54.692 -2.986 1
1 135 . 16 1 1 A 33 33 ASN N N 33 113.646 122.876 -9.230 1
1 136 . 16 1 1 A 34 34 LYS H H 34 7.737 7.360 0.377 1
1 137 . 16 1 1 A 34 34 LYS HA H 34 4.935 4.527 0.408 1
1 138 . 16 1 1 A 34 34 LYS CA C 34 52.839 55.397 -2.558 1
1 139 . 16 1 1 A 34 34 LYS N N 34 117.519 118.592 -1.073 1
1 140 . 16 1 1 A 35 35 LYS H H 35 6.969 7.768 -0.799 1
1 141 . 16 1 1 A 35 35 LYS HA H 35 4.601 4.307 0.294 1
1 142 . 16 1 1 A 35 35 LYS CA C 35 52.439 55.953 -3.514 1
1 143 . 16 1 1 A 35 35 LYS N N 35 116.846 124.155 -7.309 1
1 144 . 16 1 1 A 36 36 CYS H H 36 8.672 8.464 0.208 1
1 145 . 16 1 1 A 36 36 CYS HA H 36 4.781 4.443 0.338 1
1 146 . 16 1 1 A 36 36 CYS CA C 36 49.490 59.879 -10.389 1
1 147 . 16 1 1 A 36 36 CYS N N 36 118.220 120.613 -2.393 1
1 148 . 16 1 1 A 37 37 THR H H 37 10.153 8.621 1.532 1
1 149 . 16 1 1 A 37 37 THR HA H 37 4.287 4.673 -0.386 1
1 150 . 16 1 1 A 37 37 THR CA C 37 60.509 60.695 -0.186 1
1 151 . 16 1 1 A 37 37 THR CB C 37 68.160 69.028 -0.868 1
1 152 . 16 1 1 A 37 37 THR N N 37 121.911 115.460 6.451 1
1 153 . 16 1 1 A 38 38 LYS H H 38 7.346 7.562 -0.216 1
1 154 . 16 1 1 A 38 38 LYS HA H 38 4.235 4.559 -0.324 1
1 155 . 16 1 1 A 38 38 LYS CA C 38 54.060 56.044 -1.984 1
1 156 . 16 1 1 A 38 38 LYS N N 38 122.163 121.586 0.577 1
1 157 . 16 1 1 A 39 39 ASP H H 39 8.827 8.675 0.152 1
1 158 . 16 1 1 A 39 39 ASP HA H 39 4.642 4.474 0.168 1
1 159 . 16 1 1 A 39 39 ASP CA C 39 52.593 55.313 -2.720 1
1 160 . 16 1 1 A 39 39 ASP N N 39 124.992 124.903 0.089 1
1 161 . 16 1 1 A 40 40 ASN H H 40 9.522 9.182 0.340 1
1 162 . 16 1 1 A 40 40 ASN HA H 40 4.338 4.340 -0.002 1
1 163 . 16 1 1 A 40 40 ASN CA C 40 53.076 54.221 -1.145 1
1 164 . 16 1 1 A 40 40 ASN N N 40 114.854 116.224 -1.370 1
1 165 . 16 1 1 A 41 41 ASN H H 41 7.801 7.799 0.002 1
1 166 . 16 1 1 A 41 41 ASN HA H 41 4.779 4.729 0.050 1
1 167 . 16 1 1 A 41 41 ASN N N 41 120.270 115.851 4.419 1
1 168 . 16 1 1 A 42 42 LYS H H 42 8.529 7.611 0.918 1
1 169 . 16 1 1 A 42 42 LYS HA H 42 4.469 4.595 -0.126 1
1 170 . 16 1 1 A 42 42 LYS CA C 42 54.420 56.042 -1.622 1
1 171 . 16 1 1 A 42 42 LYS N N 42 119.707 114.947 4.760 1
1 172 . 16 1 1 A 43 43 CYS H H 43 7.612 8.797 -1.185 1
1 173 . 16 1 1 A 43 43 CYS HA H 43 5.440 5.133 0.307 1
1 174 . 16 1 1 A 43 43 CYS CA C 43 51.081 57.916 -6.835 1
1 175 . 16 1 1 A 43 43 CYS N N 43 113.820 123.626 -9.806 1
1 176 . 16 1 1 A 44 44 THR H H 44 9.039 8.495 0.544 1
1 177 . 16 1 1 A 44 44 THR HA H 44 5.322 4.954 0.368 1
1 178 . 16 1 1 A 44 44 THR CA C 44 57.334 60.744 -3.410 1
1 179 . 16 1 1 A 44 44 THR CB C 44 69.530 70.893 -1.363 1
1 180 . 16 1 1 A 44 44 THR N N 44 113.118 113.589 -0.471 1
1 181 . 16 1 1 A 45 45 VAL H H 45 8.647 8.310 0.337 1
1 182 . 16 1 1 A 45 45 VAL HA H 45 4.544 4.943 -0.399 1
1 183 . 16 1 1 A 45 45 VAL CA C 45 58.290 60.597 -2.307 1
1 184 . 16 1 1 A 45 45 VAL N N 45 122.102 121.056 1.046 1
1 185 . 16 1 1 A 46 46 ASP H H 46 8.624 8.612 0.012 1
1 186 . 16 1 1 A 46 46 ASP HA H 46 5.396 5.008 0.388 1
1 187 . 16 1 1 A 46 46 ASP CA C 46 49.354 53.013 -3.659 1
1 188 . 16 1 1 A 46 46 ASP N N 46 126.564 126.093 0.471 1
1 189 . 16 1 1 A 47 47 THR H H 47 9.122 8.576 0.546 1
1 190 . 16 1 1 A 47 47 THR HA H 47 4.274 4.311 -0.037 1
1 191 . 16 1 1 A 47 47 THR CA C 47 60.700 64.397 -3.697 1
1 192 . 16 1 1 A 47 47 THR CB C 47 66.440 68.977 -2.537 1
1 193 . 16 1 1 A 47 47 THR N N 47 114.486 119.076 -4.590 1
1 194 . 16 1 1 A 48 48 TYR H H 48 8.834 8.320 0.514 1
1 195 . 16 1 1 A 48 48 TYR HA H 48 4.476 4.045 0.431 1
1 196 . 16 1 1 A 48 48 TYR CA C 48 57.699 61.907 -4.208 1
1 197 . 16 1 1 A 48 48 TYR N N 48 123.919 124.025 -0.106 1
1 198 . 16 1 1 A 49 49 ASN H H 49 7.563 7.890 -0.327 1
1 199 . 16 1 1 A 49 49 ASN HA H 49 4.569 4.799 -0.230 1
1 200 . 16 1 1 A 49 49 ASN CA C 49 49.441 51.846 -2.405 1
1 201 . 16 1 1 A 49 49 ASN N N 49 113.858 116.206 -2.348 1
1 202 . 16 1 1 A 50 50 ASN H H 50 7.915 8.139 -0.224 1
1 203 . 16 1 1 A 50 50 ASN HA H 50 4.288 4.510 -0.222 1
1 204 . 16 1 1 A 50 50 ASN CA C 50 51.746 54.119 -2.373 1
1 205 . 16 1 1 A 50 50 ASN N N 50 117.382 117.826 -0.444 1
1 206 . 16 1 1 A 51 51 ALA H H 51 7.904 7.790 0.114 1
1 207 . 16 1 1 A 51 51 ALA HA H 51 4.520 4.461 0.059 1
1 208 . 16 1 1 A 51 51 ALA CA C 51 49.621 51.476 -1.855 1
1 209 . 16 1 1 A 51 51 ALA CB C 51 17.920 19.732 -1.812 1
1 210 . 16 1 1 A 51 51 ALA N N 51 121.152 121.471 -0.319 1
1 211 . 16 1 1 A 52 52 VAL H H 52 8.317 9.013 -0.696 1
1 212 . 16 1 1 A 52 52 VAL HA H 52 4.956 5.025 -0.069 1
1 213 . 16 1 1 A 52 52 VAL CA C 52 58.076 61.059 -2.983 1
1 214 . 16 1 1 A 52 52 VAL N N 52 125.803 123.667 2.136 1
1 215 . 16 1 1 A 53 53 ASP H H 53 8.668 8.656 0.012 1
1 216 . 16 1 1 A 53 53 ASP HA H 53 4.944 5.327 -0.383 1
1 217 . 16 1 1 A 53 53 ASP CA C 53 50.581 52.436 -1.855 1
1 218 . 16 1 1 A 53 53 ASP N N 53 126.104 123.907 2.197 1
1 219 . 16 1 1 A 54 54 CYS H H 54 8.563 8.566 -0.003 1
1 220 . 16 1 1 A 54 54 CYS HA H 54 4.776 5.070 -0.294 1
1 221 . 16 1 1 A 54 54 CYS CA C 54 53.462 56.995 -3.533 1
1 222 . 16 1 1 A 54 54 CYS N N 54 123.741 116.677 7.064 1
1 4 . 17 1 1 A 2 2 LYS H H 2 8.219 8.162 0.057 1
1 5 . 17 1 1 A 2 2 LYS HA H 2 5.318 4.992 0.326 1
1 6 . 17 1 1 A 2 2 LYS CA C 2 52.348 54.459 -2.111 1
1 7 . 17 1 1 A 2 2 LYS N N 2 120.076 117.794 2.282 1
1 8 . 17 1 1 A 3 3 TYR H H 3 8.999 8.755 0.244 1
1 9 . 17 1 1 A 3 3 TYR HA H 3 4.883 4.953 -0.070 1
1 10 . 17 1 1 A 3 3 TYR CA C 3 53.848 56.665 -2.817 1
1 11 . 17 1 1 A 3 3 TYR N N 3 122.800 117.999 4.801 1
1 12 . 17 1 1 A 4 4 THR H H 4 8.885 8.834 0.051 1
1 13 . 17 1 1 A 4 4 THR HA H 4 5.117 4.789 0.328 1
1 14 . 17 1 1 A 4 4 THR CA C 4 58.871 62.249 -3.378 1
1 15 . 17 1 1 A 4 4 THR CB C 4 67.850 69.443 -1.593 1
1 16 . 17 1 1 A 4 4 THR N N 4 117.092 120.210 -3.118 1
1 17 . 17 1 1 A 5 5 GLY H H 5 9.159 8.091 1.068 1
1 18 . 17 1 1 A 5 5 GLY HA2 H 5 4.075 4.306 -0.231 1
1 19 . 17 1 1 A 5 5 GLY HA3 H 5 4.075 4.328 -0.253 1
1 20 . 17 1 1 A 5 5 GLY CA C 5 42.597 46.095 -3.498 1
1 21 . 17 1 1 A 5 5 GLY N N 5 115.357 113.529 1.828 1
1 22 . 17 1 1 A 6 6 LYS H H 6 8.495 8.539 -0.044 1
1 23 . 17 1 1 A 6 6 LYS HA H 6 5.460 5.061 0.399 1
1 24 . 17 1 1 A 6 6 LYS CA C 6 51.686 54.799 -3.113 1
1 25 . 17 1 1 A 6 6 LYS N N 6 121.225 119.817 1.408 1
1 26 . 17 1 1 A 7 7 CYS H H 7 9.847 8.723 1.124 1
1 27 . 17 1 1 A 7 7 CYS HA H 7 6.406 5.463 0.943 1
1 28 . 17 1 1 A 7 7 CYS CA C 7 50.542 57.578 -7.036 1
1 29 . 17 1 1 A 7 7 CYS N N 7 122.602 119.044 3.558 1
1 30 . 17 1 1 A 8 8 THR H H 8 8.726 8.478 0.248 1
1 31 . 17 1 1 A 8 8 THR HA H 8 4.793 5.013 -0.220 1
1 32 . 17 1 1 A 8 8 THR CA C 8 57.418 59.119 -1.701 1
1 33 . 17 1 1 A 8 8 THR CB C 8 68.450 71.792 -3.342 1
1 34 . 17 1 1 A 8 8 THR N N 8 113.380 111.663 1.717 1
1 35 . 17 1 1 A 9 9 LYS H H 9 8.993 8.822 0.171 1
1 36 . 17 1 1 A 9 9 LYS HA H 9 3.627 4.088 -0.461 1
1 37 . 17 1 1 A 9 9 LYS CA C 9 57.323 58.710 -1.387 1
1 38 . 17 1 1 A 9 9 LYS N N 9 127.577 121.339 6.238 1
1 39 . 17 1 1 A 10 10 SER H H 10 9.424 8.050 1.374 1
1 40 . 17 1 1 A 10 10 SER HA H 10 4.094 4.549 -0.455 1
1 41 . 17 1 1 A 10 10 SER CA C 10 59.187 58.287 0.900 1
1 42 . 17 1 1 A 10 10 SER CB C 10 59.200 63.400 -4.200 1
1 43 . 17 1 1 A 10 10 SER N N 10 116.462 110.254 6.208 1
1 44 . 17 1 1 A 11 11 LYS H H 11 7.083 7.759 -0.676 1
1 45 . 17 1 1 A 11 11 LYS HA H 11 4.258 4.678 -0.420 1
1 46 . 17 1 1 A 11 11 LYS CA C 11 53.366 56.067 -2.701 1
1 47 . 17 1 1 A 11 11 LYS N N 11 117.002 120.859 -3.857 1
1 48 . 17 1 1 A 12 12 ASN H H 12 7.681 8.999 -1.318 1
1 49 . 17 1 1 A 12 12 ASN HA H 12 4.646 4.805 -0.159 1
1 50 . 17 1 1 A 12 12 ASN CA C 12 51.004 52.272 -1.268 1
1 51 . 17 1 1 A 12 12 ASN N N 12 120.475 124.148 -3.673 1
1 52 . 17 1 1 A 13 13 GLU H H 13 7.314 8.128 -0.814 1
1 53 . 17 1 1 A 13 13 GLU HA H 13 4.960 5.042 -0.082 1
1 54 . 17 1 1 A 13 13 GLU CA C 13 52.227 54.634 -2.407 1
1 55 . 17 1 1 A 13 13 GLU N N 13 114.791 118.918 -4.127 1
1 56 . 17 1 1 A 14 14 CYS H H 14 9.691 8.839 0.852 1
1 57 . 17 1 1 A 14 14 CYS HA H 14 4.738 4.543 0.195 1
1 58 . 17 1 1 A 14 14 CYS N N 14 123.353 123.091 0.262 1
1 59 . 17 1 1 A 15 15 LYS H H 15 8.714 8.239 0.475 1
1 60 . 17 1 1 A 15 15 LYS HA H 15 5.015 4.126 0.889 1
1 61 . 17 1 1 A 15 15 LYS CA C 15 51.724 55.105 -3.381 1
1 62 . 17 1 1 A 15 15 LYS N N 15 130.540 127.412 3.128 1
1 63 . 17 1 1 A 16 16 TYR H H 16 9.038 8.042 0.996 1
1 64 . 17 1 1 A 16 16 TYR HA H 16 4.993 5.295 -0.302 1
1 65 . 17 1 1 A 16 16 TYR CA C 16 52.239 55.596 -3.357 1
1 66 . 17 1 1 A 16 16 TYR N N 16 126.577 118.322 8.255 1
1 67 . 17 1 1 A 17 17 LYS H H 17 8.453 8.994 -0.541 1
1 68 . 17 1 1 A 17 17 LYS HA H 17 4.504 5.026 -0.522 1
1 69 . 17 1 1 A 17 17 LYS CA C 17 51.878 54.279 -2.401 1
1 70 . 17 1 1 A 17 17 LYS N N 17 120.816 117.729 3.087 1
1 71 . 17 1 1 A 18 18 ASN H H 18 7.811 8.479 -0.668 1
1 72 . 17 1 1 A 18 18 ASN HA H 18 4.181 5.255 -1.074 1
1 73 . 17 1 1 A 18 18 ASN CA C 18 48.245 51.153 -2.908 1
1 74 . 17 1 1 A 18 18 ASN N N 18 122.171 119.243 2.928 1
1 75 . 17 1 1 A 19 19 ASP H H 19 8.284 9.325 -1.041 1
1 76 . 17 1 1 A 19 19 ASP HA H 19 4.469 4.537 -0.068 1
1 77 . 17 1 1 A 19 19 ASP CA C 19 54.562 56.245 -1.683 1
1 78 . 17 1 1 A 19 19 ASP N N 19 117.497 118.534 -1.037 1
1 79 . 17 1 1 A 20 20 ALA H H 20 7.482 8.096 -0.614 1
1 80 . 17 1 1 A 20 20 ALA HA H 20 4.471 4.486 -0.015 1
1 81 . 17 1 1 A 20 20 ALA CA C 20 48.893 51.397 -2.504 1
1 82 . 17 1 1 A 20 20 ALA CB C 20 16.190 19.031 -2.841 1
1 83 . 17 1 1 A 20 20 ALA N N 20 120.920 119.781 1.139 1
1 84 . 17 1 1 A 21 21 GLY H H 21 8.229 7.981 0.248 1
1 85 . 17 1 1 A 21 21 GLY HA2 H 21 4.173 3.894 0.279 1
1 86 . 17 1 1 A 21 21 GLY HA3 H 21 4.173 3.900 0.273 1
1 87 . 17 1 1 A 21 21 GLY CA C 21 43.316 45.688 -2.372 1
1 88 . 17 1 1 A 21 21 GLY N N 21 107.360 106.025 1.335 1
1 89 . 17 1 1 A 22 22 LYS H H 22 7.721 7.494 0.227 1
1 90 . 17 1 1 A 22 22 LYS HA H 22 4.390 4.291 0.099 1
1 91 . 17 1 1 A 22 22 LYS CA C 22 51.822 55.833 -4.011 1
1 92 . 17 1 1 A 22 22 LYS N N 22 120.479 121.250 -0.771 1
1 93 . 17 1 1 A 23 23 ASP H H 23 8.641 8.571 0.070 1
1 94 . 17 1 1 A 23 23 ASP HA H 23 4.365 4.778 -0.413 1
1 95 . 17 1 1 A 23 23 ASP CA C 23 53.040 53.668 -0.628 1
1 96 . 17 1 1 A 23 23 ASP N N 23 126.541 122.575 3.966 1
1 97 . 17 1 1 A 24 24 THR H H 24 8.829 7.836 0.993 1
1 98 . 17 1 1 A 24 24 THR HA H 24 4.098 4.797 -0.699 1
1 99 . 17 1 1 A 24 24 THR CA C 24 59.221 60.827 -1.606 1
1 100 . 17 1 1 A 24 24 THR CB C 24 67.990 70.924 -2.934 1
1 101 . 17 1 1 A 24 24 THR N N 24 122.790 119.072 3.718 1
1 102 . 17 1 1 A 25 25 PHE H H 25 8.328 9.043 -0.715 1
1 103 . 17 1 1 A 25 25 PHE HA H 25 5.474 5.200 0.274 1
1 104 . 17 1 1 A 25 25 PHE CA C 25 53.722 55.915 -2.193 1
1 105 . 17 1 1 A 25 25 PHE N N 25 122.281 124.255 -1.974 1
1 106 . 17 1 1 A 26 26 ILE H H 26 9.138 8.797 0.341 1
1 107 . 17 1 1 A 26 26 ILE HA H 26 4.671 4.664 0.007 1
1 108 . 17 1 1 A 26 26 ILE CA C 26 57.078 60.243 -3.165 1
1 109 . 17 1 1 A 26 26 ILE N N 26 123.064 120.946 2.118 1
1 110 . 17 1 1 A 27 27 LYS H H 27 8.358 8.593 -0.235 1
1 111 . 17 1 1 A 27 27 LYS HA H 27 4.280 4.796 -0.516 1
1 112 . 17 1 1 A 27 27 LYS CA C 27 55.254 56.777 -1.523 1
1 113 . 17 1 1 A 27 27 LYS N N 27 127.092 130.472 -3.380 1
1 114 . 17 1 1 A 28 28 CYS H H 28 8.521 8.343 0.178 1
1 115 . 17 1 1 A 28 28 CYS HA H 28 4.653 4.536 0.117 1
1 116 . 17 1 1 A 28 28 CYS CA C 28 54.049 58.951 -4.902 1
1 117 . 17 1 1 A 28 28 CYS N N 28 119.722 126.129 -6.407 1
1 118 . 17 1 1 A 29 29 PRO HA H 29 4.427 4.814 -0.387 1
1 119 . 17 1 1 A 29 29 PRO CA C 29 60.107 62.383 -2.276 1
1 120 . 17 1 1 A 30 30 LYS H H 30 8.055 8.479 -0.424 1
1 121 . 17 1 1 A 30 30 LYS HA H 30 4.048 4.455 -0.407 1
1 122 . 17 1 1 A 30 30 LYS CA C 30 53.665 55.123 -1.458 1
1 123 . 17 1 1 A 30 30 LYS N N 30 116.627 122.946 -6.319 1
1 124 . 17 1 1 A 31 31 PHE H H 31 6.526 7.573 -1.047 1
1 125 . 17 1 1 A 31 31 PHE HA H 31 4.608 4.999 -0.391 1
1 126 . 17 1 1 A 31 31 PHE CA C 31 54.082 56.285 -2.203 1
1 127 . 17 1 1 A 31 31 PHE N N 31 116.828 118.932 -2.104 1
1 128 . 17 1 1 A 32 32 ASP H H 32 8.809 9.025 -0.216 1
1 129 . 17 1 1 A 32 32 ASP HA H 32 4.238 4.312 -0.074 1
1 130 . 17 1 1 A 32 32 ASP CA C 32 54.669 54.910 -0.241 1
1 131 . 17 1 1 A 32 32 ASP N N 32 121.542 119.028 2.514 1
1 132 . 17 1 1 A 33 33 ASN H H 33 8.540 7.988 0.552 1
1 133 . 17 1 1 A 33 33 ASN HA H 33 4.636 4.953 -0.317 1
1 134 . 17 1 1 A 33 33 ASN CA C 33 51.706 54.634 -2.928 1
1 135 . 17 1 1 A 33 33 ASN N N 33 113.646 118.711 -5.065 1
1 136 . 17 1 1 A 34 34 LYS H H 34 7.737 7.559 0.178 1
1 137 . 17 1 1 A 34 34 LYS HA H 34 4.935 4.517 0.418 1
1 138 . 17 1 1 A 34 34 LYS CA C 34 52.839 55.739 -2.900 1
1 139 . 17 1 1 A 34 34 LYS N N 34 117.519 118.261 -0.742 1
1 140 . 17 1 1 A 35 35 LYS H H 35 6.969 7.746 -0.777 1
1 141 . 17 1 1 A 35 35 LYS HA H 35 4.601 4.472 0.129 1
1 142 . 17 1 1 A 35 35 LYS CA C 35 52.439 55.605 -3.166 1
1 143 . 17 1 1 A 35 35 LYS N N 35 116.846 117.848 -1.002 1
1 144 . 17 1 1 A 36 36 CYS H H 36 8.672 8.562 0.110 1
1 145 . 17 1 1 A 36 36 CYS HA H 36 4.781 4.381 0.400 1
1 146 . 17 1 1 A 36 36 CYS CA C 36 49.490 60.068 -10.578 1
1 147 . 17 1 1 A 36 36 CYS N N 36 118.220 120.069 -1.849 1
1 148 . 17 1 1 A 37 37 THR H H 37 10.153 8.793 1.360 1
1 149 . 17 1 1 A 37 37 THR HA H 37 4.287 4.653 -0.366 1
1 150 . 17 1 1 A 37 37 THR CA C 37 60.509 60.669 -0.160 1
1 151 . 17 1 1 A 37 37 THR CB C 37 68.160 69.077 -0.917 1
1 152 . 17 1 1 A 37 37 THR N N 37 121.911 115.515 6.396 1
1 153 . 17 1 1 A 38 38 LYS H H 38 7.346 7.503 -0.157 1
1 154 . 17 1 1 A 38 38 LYS HA H 38 4.235 4.565 -0.330 1
1 155 . 17 1 1 A 38 38 LYS CA C 38 54.060 54.867 -0.807 1
1 156 . 17 1 1 A 38 38 LYS N N 38 122.163 120.403 1.760 1
1 157 . 17 1 1 A 39 39 ASP H H 39 8.827 8.741 0.086 1
1 158 . 17 1 1 A 39 39 ASP HA H 39 4.642 4.954 -0.312 1
1 159 . 17 1 1 A 39 39 ASP CA C 39 52.593 54.370 -1.777 1
1 160 . 17 1 1 A 39 39 ASP N N 39 124.992 121.217 3.775 1
1 161 . 17 1 1 A 40 40 ASN H H 40 9.522 9.062 0.460 1
1 162 . 17 1 1 A 40 40 ASN HA H 40 4.338 4.604 -0.266 1
1 163 . 17 1 1 A 40 40 ASN CA C 40 53.076 54.224 -1.148 1
1 164 . 17 1 1 A 40 40 ASN N N 40 114.854 119.745 -4.891 1
1 165 . 17 1 1 A 41 41 ASN H H 41 7.801 8.153 -0.352 1
1 166 . 17 1 1 A 41 41 ASN HA H 41 4.779 4.742 0.037 1
1 167 . 17 1 1 A 41 41 ASN N N 41 120.270 115.945 4.325 1
1 168 . 17 1 1 A 42 42 LYS H H 42 8.529 7.626 0.903 1
1 169 . 17 1 1 A 42 42 LYS HA H 42 4.469 4.610 -0.141 1
1 170 . 17 1 1 A 42 42 LYS CA C 42 54.420 56.180 -1.760 1
1 171 . 17 1 1 A 42 42 LYS N N 42 119.707 115.076 4.631 1
1 172 . 17 1 1 A 43 43 CYS H H 43 7.612 8.521 -0.909 1
1 173 . 17 1 1 A 43 43 CYS HA H 43 5.440 5.190 0.250 1
1 174 . 17 1 1 A 43 43 CYS CA C 43 51.081 57.671 -6.590 1
1 175 . 17 1 1 A 43 43 CYS N N 43 113.820 123.371 -9.551 1
1 176 . 17 1 1 A 44 44 THR H H 44 9.039 8.308 0.731 1
1 177 . 17 1 1 A 44 44 THR HA H 44 5.322 5.299 0.023 1
1 178 . 17 1 1 A 44 44 THR CA C 44 57.334 60.727 -3.393 1
1 179 . 17 1 1 A 44 44 THR CB C 44 69.530 71.251 -1.721 1
1 180 . 17 1 1 A 44 44 THR N N 44 113.118 112.151 0.967 1
1 181 . 17 1 1 A 45 45 VAL H H 45 8.647 8.506 0.141 1
1 182 . 17 1 1 A 45 45 VAL HA H 45 4.544 4.413 0.131 1
1 183 . 17 1 1 A 45 45 VAL CA C 45 58.290 61.922 -3.632 1
1 184 . 17 1 1 A 45 45 VAL N N 45 122.102 126.840 -4.738 1
1 185 . 17 1 1 A 46 46 ASP H H 46 8.624 8.542 0.082 1
1 186 . 17 1 1 A 46 46 ASP HA H 46 5.396 5.116 0.280 1
1 187 . 17 1 1 A 46 46 ASP CA C 46 49.354 52.629 -3.275 1
1 188 . 17 1 1 A 46 46 ASP N N 46 126.564 127.531 -0.967 1
1 189 . 17 1 1 A 47 47 THR H H 47 9.122 8.909 0.213 1
1 190 . 17 1 1 A 47 47 THR HA H 47 4.274 4.177 0.097 1
1 191 . 17 1 1 A 47 47 THR CA C 47 60.700 64.701 -4.001 1
1 192 . 17 1 1 A 47 47 THR CB C 47 66.440 69.062 -2.622 1
1 193 . 17 1 1 A 47 47 THR N N 47 114.486 118.960 -4.474 1
1 194 . 17 1 1 A 48 48 TYR H H 48 8.834 8.355 0.479 1
1 195 . 17 1 1 A 48 48 TYR HA H 48 4.476 4.075 0.401 1
1 196 . 17 1 1 A 48 48 TYR CA C 48 57.699 61.938 -4.239 1
1 197 . 17 1 1 A 48 48 TYR N N 48 123.919 124.205 -0.286 1
1 198 . 17 1 1 A 49 49 ASN H H 49 7.563 7.724 -0.161 1
1 199 . 17 1 1 A 49 49 ASN HA H 49 4.569 4.815 -0.246 1
1 200 . 17 1 1 A 49 49 ASN CA C 49 49.441 51.755 -2.314 1
1 201 . 17 1 1 A 49 49 ASN N N 49 113.858 113.860 -0.002 1
1 202 . 17 1 1 A 50 50 ASN H H 50 7.915 7.821 0.094 1
1 203 . 17 1 1 A 50 50 ASN HA H 50 4.288 4.355 -0.067 1
1 204 . 17 1 1 A 50 50 ASN CA C 50 51.746 54.612 -2.866 1
1 205 . 17 1 1 A 50 50 ASN N N 50 117.382 113.090 4.292 1
1 206 . 17 1 1 A 51 51 ALA H H 51 7.904 7.710 0.194 1
1 207 . 17 1 1 A 51 51 ALA HA H 51 4.520 4.800 -0.280 1
1 208 . 17 1 1 A 51 51 ALA CA C 51 49.621 50.405 -0.784 1
1 209 . 17 1 1 A 51 51 ALA CB C 51 17.920 19.415 -1.495 1
1 210 . 17 1 1 A 51 51 ALA N N 51 121.152 120.313 0.839 1
1 211 . 17 1 1 A 52 52 VAL H H 52 8.317 8.903 -0.586 1
1 212 . 17 1 1 A 52 52 VAL HA H 52 4.956 4.890 0.066 1
1 213 . 17 1 1 A 52 52 VAL CA C 52 58.076 61.591 -3.515 1
1 214 . 17 1 1 A 52 52 VAL N N 52 125.803 124.068 1.735 1
1 215 . 17 1 1 A 53 53 ASP H H 53 8.668 9.290 -0.622 1
1 216 . 17 1 1 A 53 53 ASP HA H 53 4.944 5.478 -0.534 1
1 217 . 17 1 1 A 53 53 ASP CA C 53 50.581 52.554 -1.973 1
1 218 . 17 1 1 A 53 53 ASP N N 53 126.104 127.010 -0.906 1
1 219 . 17 1 1 A 54 54 CYS H H 54 8.563 8.855 -0.292 1
1 220 . 17 1 1 A 54 54 CYS HA H 54 4.776 5.128 -0.352 1
1 221 . 17 1 1 A 54 54 CYS CA C 54 53.462 58.026 -4.564 1
1 222 . 17 1 1 A 54 54 CYS N N 54 123.741 120.323 3.418 1
1 4 . 18 1 1 A 2 2 LYS H H 2 8.219 8.612 -0.393 1
1 5 . 18 1 1 A 2 2 LYS HA H 2 5.318 4.654 0.664 1
1 6 . 18 1 1 A 2 2 LYS CA C 2 52.348 56.207 -3.859 1
1 7 . 18 1 1 A 2 2 LYS N N 2 120.076 123.068 -2.992 1
1 8 . 18 1 1 A 3 3 TYR H H 3 8.999 9.071 -0.072 1
1 9 . 18 1 1 A 3 3 TYR HA H 3 4.883 5.111 -0.228 1
1 10 . 18 1 1 A 3 3 TYR CA C 3 53.848 56.443 -2.595 1
1 11 . 18 1 1 A 3 3 TYR N N 3 122.800 122.111 0.689 1
1 12 . 18 1 1 A 4 4 THR H H 4 8.885 8.649 0.236 1
1 13 . 18 1 1 A 4 4 THR HA H 4 5.117 4.536 0.581 1
1 14 . 18 1 1 A 4 4 THR CA C 4 58.871 62.318 -3.447 1
1 15 . 18 1 1 A 4 4 THR CB C 4 67.850 68.218 -0.368 1
1 16 . 18 1 1 A 4 4 THR N N 4 117.092 119.478 -2.386 1
1 17 . 18 1 1 A 5 5 GLY H H 5 9.159 8.369 0.790 1
1 18 . 18 1 1 A 5 5 GLY HA2 H 5 4.075 4.246 -0.171 1
1 19 . 18 1 1 A 5 5 GLY HA3 H 5 4.075 4.280 -0.205 1
1 20 . 18 1 1 A 5 5 GLY CA C 5 42.597 44.367 -1.770 1
1 21 . 18 1 1 A 5 5 GLY N N 5 115.357 113.496 1.861 1
1 22 . 18 1 1 A 6 6 LYS H H 6 8.495 8.389 0.106 1
1 23 . 18 1 1 A 6 6 LYS HA H 6 5.460 5.294 0.166 1
1 24 . 18 1 1 A 6 6 LYS CA C 6 51.686 54.953 -3.267 1
1 25 . 18 1 1 A 6 6 LYS N N 6 121.225 119.842 1.383 1
1 26 . 18 1 1 A 7 7 CYS H H 7 9.847 8.979 0.868 1
1 27 . 18 1 1 A 7 7 CYS HA H 7 6.406 5.817 0.589 1
1 28 . 18 1 1 A 7 7 CYS CA C 7 50.542 56.725 -6.183 1
1 29 . 18 1 1 A 7 7 CYS N N 7 122.602 118.873 3.729 1
1 30 . 18 1 1 A 8 8 THR H H 8 8.726 8.305 0.421 1
1 31 . 18 1 1 A 8 8 THR HA H 8 4.793 4.865 -0.072 1
1 32 . 18 1 1 A 8 8 THR CA C 8 57.418 59.678 -2.260 1
1 33 . 18 1 1 A 8 8 THR CB C 8 68.450 71.186 -2.736 1
1 34 . 18 1 1 A 8 8 THR N N 8 113.380 112.452 0.928 1
1 35 . 18 1 1 A 9 9 LYS H H 9 8.993 8.961 0.032 1
1 36 . 18 1 1 A 9 9 LYS HA H 9 3.627 3.984 -0.357 1
1 37 . 18 1 1 A 9 9 LYS CA C 9 57.323 60.221 -2.898 1
1 38 . 18 1 1 A 9 9 LYS N N 9 127.577 123.569 4.008 1
1 39 . 18 1 1 A 10 10 SER H H 10 9.424 8.341 1.083 1
1 40 . 18 1 1 A 10 10 SER HA H 10 4.094 4.211 -0.117 1
1 41 . 18 1 1 A 10 10 SER CA C 10 59.187 61.383 -2.196 1
1 42 . 18 1 1 A 10 10 SER CB C 10 59.200 62.272 -3.072 1
1 43 . 18 1 1 A 10 10 SER N N 10 116.462 114.351 2.111 1
1 44 . 18 1 1 A 11 11 LYS H H 11 7.083 8.199 -1.116 1
1 45 . 18 1 1 A 11 11 LYS HA H 11 4.258 4.515 -0.257 1
1 46 . 18 1 1 A 11 11 LYS CA C 11 53.366 54.930 -1.564 1
1 47 . 18 1 1 A 11 11 LYS N N 11 117.002 120.289 -3.287 1
1 48 . 18 1 1 A 12 12 ASN H H 12 7.681 8.912 -1.231 1
1 49 . 18 1 1 A 12 12 ASN HA H 12 4.646 4.913 -0.267 1
1 50 . 18 1 1 A 12 12 ASN CA C 12 51.004 52.602 -1.598 1
1 51 . 18 1 1 A 12 12 ASN N N 12 120.475 125.090 -4.615 1
1 52 . 18 1 1 A 13 13 GLU H H 13 7.314 8.211 -0.897 1
1 53 . 18 1 1 A 13 13 GLU HA H 13 4.960 5.047 -0.087 1
1 54 . 18 1 1 A 13 13 GLU CA C 13 52.227 54.491 -2.264 1
1 55 . 18 1 1 A 13 13 GLU N N 13 114.791 121.579 -6.788 1
1 56 . 18 1 1 A 14 14 CYS H H 14 9.691 9.244 0.447 1
1 57 . 18 1 1 A 14 14 CYS HA H 14 4.738 4.897 -0.159 1
1 58 . 18 1 1 A 14 14 CYS N N 14 123.353 122.341 1.012 1
1 59 . 18 1 1 A 15 15 LYS H H 15 8.714 8.776 -0.062 1
1 60 . 18 1 1 A 15 15 LYS HA H 15 5.015 4.572 0.443 1
1 61 . 18 1 1 A 15 15 LYS CA C 15 51.724 54.801 -3.077 1
1 62 . 18 1 1 A 15 15 LYS N N 15 130.540 128.310 2.230 1
1 63 . 18 1 1 A 16 16 TYR H H 16 9.038 8.731 0.307 1
1 64 . 18 1 1 A 16 16 TYR HA H 16 4.993 5.346 -0.353 1
1 65 . 18 1 1 A 16 16 TYR CA C 16 52.239 55.306 -3.067 1
1 66 . 18 1 1 A 16 16 TYR N N 16 126.577 124.068 2.509 1
1 67 . 18 1 1 A 17 17 LYS H H 17 8.453 8.750 -0.297 1
1 68 . 18 1 1 A 17 17 LYS HA H 17 4.504 4.571 -0.067 1
1 69 . 18 1 1 A 17 17 LYS CA C 17 51.878 55.061 -3.183 1
1 70 . 18 1 1 A 17 17 LYS N N 17 120.816 121.092 -0.276 1
1 71 . 18 1 1 A 18 18 ASN H H 18 7.811 8.455 -0.644 1
1 72 . 18 1 1 A 18 18 ASN HA H 18 4.181 5.309 -1.128 1
1 73 . 18 1 1 A 18 18 ASN CA C 18 48.245 51.350 -3.105 1
1 74 . 18 1 1 A 18 18 ASN N N 18 122.171 124.778 -2.607 1
1 75 . 18 1 1 A 19 19 ASP H H 19 8.284 9.302 -1.018 1
1 76 . 18 1 1 A 19 19 ASP HA H 19 4.469 4.497 -0.028 1
1 77 . 18 1 1 A 19 19 ASP CA C 19 54.562 56.208 -1.646 1
1 78 . 18 1 1 A 19 19 ASP N N 19 117.497 118.848 -1.351 1
1 79 . 18 1 1 A 20 20 ALA H H 20 7.482 8.183 -0.701 1
1 80 . 18 1 1 A 20 20 ALA HA H 20 4.471 4.443 0.028 1
1 81 . 18 1 1 A 20 20 ALA CA C 20 48.893 51.230 -2.337 1
1 82 . 18 1 1 A 20 20 ALA CB C 20 16.190 19.366 -3.176 1
1 83 . 18 1 1 A 20 20 ALA N N 20 120.920 119.329 1.591 1
1 84 . 18 1 1 A 21 21 GLY H H 21 8.229 7.540 0.689 1
1 85 . 18 1 1 A 21 21 GLY HA2 H 21 4.173 3.996 0.177 1
1 86 . 18 1 1 A 21 21 GLY HA3 H 21 4.173 4.012 0.161 1
1 87 . 18 1 1 A 21 21 GLY CA C 21 43.316 45.191 -1.875 1
1 88 . 18 1 1 A 21 21 GLY N N 21 107.360 105.948 1.412 1
1 89 . 18 1 1 A 22 22 LYS H H 22 7.721 7.430 0.291 1
1 90 . 18 1 1 A 22 22 LYS HA H 22 4.390 4.198 0.192 1
1 91 . 18 1 1 A 22 22 LYS CA C 22 51.822 55.690 -3.868 1
1 92 . 18 1 1 A 22 22 LYS N N 22 120.479 119.954 0.525 1
1 93 . 18 1 1 A 23 23 ASP H H 23 8.641 8.450 0.191 1
1 94 . 18 1 1 A 23 23 ASP HA H 23 4.365 4.560 -0.195 1
1 95 . 18 1 1 A 23 23 ASP CA C 23 53.040 54.406 -1.366 1
1 96 . 18 1 1 A 23 23 ASP N N 23 126.541 125.388 1.153 1
1 97 . 18 1 1 A 24 24 THR H H 24 8.829 8.332 0.497 1
1 98 . 18 1 1 A 24 24 THR HA H 24 4.098 5.098 -1.000 1
1 99 . 18 1 1 A 24 24 THR CA C 24 59.221 61.677 -2.456 1
1 100 . 18 1 1 A 24 24 THR CB C 24 67.990 70.564 -2.574 1
1 101 . 18 1 1 A 24 24 THR N N 24 122.790 121.122 1.668 1
1 102 . 18 1 1 A 25 25 PHE H H 25 8.328 9.149 -0.821 1
1 103 . 18 1 1 A 25 25 PHE HA H 25 5.474 5.640 -0.166 1
1 104 . 18 1 1 A 25 25 PHE CA C 25 53.722 56.084 -2.362 1
1 105 . 18 1 1 A 25 25 PHE N N 25 122.281 125.006 -2.725 1
1 106 . 18 1 1 A 26 26 ILE H H 26 9.138 8.555 0.583 1
1 107 . 18 1 1 A 26 26 ILE HA H 26 4.671 4.633 0.038 1
1 108 . 18 1 1 A 26 26 ILE CA C 26 57.078 59.966 -2.888 1
1 109 . 18 1 1 A 26 26 ILE N N 26 123.064 121.574 1.490 1
1 110 . 18 1 1 A 27 27 LYS H H 27 8.358 8.690 -0.332 1
1 111 . 18 1 1 A 27 27 LYS HA H 27 4.280 4.336 -0.056 1
1 112 . 18 1 1 A 27 27 LYS CA C 27 55.254 57.368 -2.114 1
1 113 . 18 1 1 A 27 27 LYS N N 27 127.092 128.011 -0.919 1
1 114 . 18 1 1 A 28 28 CYS H H 28 8.521 8.328 0.193 1
1 115 . 18 1 1 A 28 28 CYS HA H 28 4.653 4.938 -0.285 1
1 116 . 18 1 1 A 28 28 CYS CA C 28 54.049 56.703 -2.654 1
1 117 . 18 1 1 A 28 28 CYS N N 28 119.722 119.981 -0.259 1
1 118 . 18 1 1 A 29 29 PRO HA H 29 4.427 4.743 -0.316 1
1 119 . 18 1 1 A 29 29 PRO CA C 29 60.107 62.896 -2.789 1
1 120 . 18 1 1 A 30 30 LYS H H 30 8.055 8.388 -0.333 1
1 121 . 18 1 1 A 30 30 LYS HA H 30 4.048 4.381 -0.333 1
1 122 . 18 1 1 A 30 30 LYS CA C 30 53.665 55.266 -1.601 1
1 123 . 18 1 1 A 30 30 LYS N N 30 116.627 115.964 0.663 1
1 124 . 18 1 1 A 31 31 PHE H H 31 6.526 7.085 -0.559 1
1 125 . 18 1 1 A 31 31 PHE HA H 31 4.608 4.564 0.044 1
1 126 . 18 1 1 A 31 31 PHE CA C 31 54.082 56.704 -2.622 1
1 127 . 18 1 1 A 31 31 PHE N N 31 116.828 119.000 -2.172 1
1 128 . 18 1 1 A 32 32 ASP H H 32 8.809 8.209 0.600 1
1 129 . 18 1 1 A 32 32 ASP HA H 32 4.238 4.311 -0.073 1
1 130 . 18 1 1 A 32 32 ASP CA C 32 54.669 55.416 -0.747 1
1 131 . 18 1 1 A 32 32 ASP N N 32 121.542 114.813 6.729 1
1 132 . 18 1 1 A 33 33 ASN H H 33 8.540 8.007 0.533 1
1 133 . 18 1 1 A 33 33 ASN HA H 33 4.636 4.926 -0.290 1
1 134 . 18 1 1 A 33 33 ASN CA C 33 51.706 54.041 -2.335 1
1 135 . 18 1 1 A 33 33 ASN N N 33 113.646 116.850 -3.204 1
1 136 . 18 1 1 A 34 34 LYS H H 34 7.737 8.110 -0.373 1
1 137 . 18 1 1 A 34 34 LYS HA H 34 4.935 4.474 0.461 1
1 138 . 18 1 1 A 34 34 LYS CA C 34 52.839 55.010 -2.171 1
1 139 . 18 1 1 A 34 34 LYS N N 34 117.519 117.336 0.183 1
1 140 . 18 1 1 A 35 35 LYS H H 35 6.969 7.502 -0.533 1
1 141 . 18 1 1 A 35 35 LYS HA H 35 4.601 4.273 0.328 1
1 142 . 18 1 1 A 35 35 LYS CA C 35 52.439 56.005 -3.566 1
1 143 . 18 1 1 A 35 35 LYS N N 35 116.846 119.953 -3.107 1
1 144 . 18 1 1 A 36 36 CYS H H 36 8.672 8.587 0.085 1
1 145 . 18 1 1 A 36 36 CYS HA H 36 4.781 4.382 0.399 1
1 146 . 18 1 1 A 36 36 CYS CA C 36 49.490 60.270 -10.780 1
1 147 . 18 1 1 A 36 36 CYS N N 36 118.220 124.788 -6.568 1
1 148 . 18 1 1 A 37 37 THR H H 37 10.153 8.563 1.590 1
1 149 . 18 1 1 A 37 37 THR HA H 37 4.287 4.657 -0.370 1
1 150 . 18 1 1 A 37 37 THR CA C 37 60.509 60.692 -0.183 1
1 151 . 18 1 1 A 37 37 THR CB C 37 68.160 69.041 -0.881 1
1 152 . 18 1 1 A 37 37 THR N N 37 121.911 117.661 4.250 1
1 153 . 18 1 1 A 38 38 LYS H H 38 7.346 7.474 -0.128 1
1 154 . 18 1 1 A 38 38 LYS HA H 38 4.235 4.543 -0.308 1
1 155 . 18 1 1 A 38 38 LYS CA C 38 54.060 56.087 -2.027 1
1 156 . 18 1 1 A 38 38 LYS N N 38 122.163 121.832 0.331 1
1 157 . 18 1 1 A 39 39 ASP H H 39 8.827 8.697 0.130 1
1 158 . 18 1 1 A 39 39 ASP HA H 39 4.642 4.466 0.176 1
1 159 . 18 1 1 A 39 39 ASP CA C 39 52.593 55.271 -2.678 1
1 160 . 18 1 1 A 39 39 ASP N N 39 124.992 125.116 -0.124 1
1 161 . 18 1 1 A 40 40 ASN H H 40 9.522 8.907 0.615 1
1 162 . 18 1 1 A 40 40 ASN HA H 40 4.338 4.281 0.057 1
1 163 . 18 1 1 A 40 40 ASN CA C 40 53.076 54.334 -1.258 1
1 164 . 18 1 1 A 40 40 ASN N N 40 114.854 116.139 -1.285 1
1 165 . 18 1 1 A 41 41 ASN H H 41 7.801 8.257 -0.456 1
1 166 . 18 1 1 A 41 41 ASN HA H 41 4.779 4.729 0.050 1
1 167 . 18 1 1 A 41 41 ASN N N 41 120.270 116.141 4.129 1
1 168 . 18 1 1 A 42 42 LYS H H 42 8.529 8.387 0.142 1
1 169 . 18 1 1 A 42 42 LYS HA H 42 4.469 4.821 -0.352 1
1 170 . 18 1 1 A 42 42 LYS CA C 42 54.420 55.003 -0.583 1
1 171 . 18 1 1 A 42 42 LYS N N 42 119.707 120.283 -0.576 1
1 172 . 18 1 1 A 43 43 CYS H H 43 7.612 9.488 -1.876 1
1 173 . 18 1 1 A 43 43 CYS HA H 43 5.440 5.329 0.111 1
1 174 . 18 1 1 A 43 43 CYS CA C 43 51.081 57.664 -6.583 1
1 175 . 18 1 1 A 43 43 CYS N N 43 113.820 125.452 -11.632 1
1 176 . 18 1 1 A 44 44 THR H H 44 9.039 8.355 0.684 1
1 177 . 18 1 1 A 44 44 THR HA H 44 5.322 5.298 0.024 1
1 178 . 18 1 1 A 44 44 THR CA C 44 57.334 60.541 -3.207 1
1 179 . 18 1 1 A 44 44 THR CB C 44 69.530 71.668 -2.138 1
1 180 . 18 1 1 A 44 44 THR N N 44 113.118 112.795 0.323 1
1 181 . 18 1 1 A 45 45 VAL H H 45 8.647 8.146 0.501 1
1 182 . 18 1 1 A 45 45 VAL HA H 45 4.544 4.679 -0.135 1
1 183 . 18 1 1 A 45 45 VAL CA C 45 58.290 61.339 -3.049 1
1 184 . 18 1 1 A 45 45 VAL N N 45 122.102 121.740 0.362 1
1 185 . 18 1 1 A 46 46 ASP H H 46 8.624 8.844 -0.220 1
1 186 . 18 1 1 A 46 46 ASP HA H 46 5.396 4.858 0.538 1
1 187 . 18 1 1 A 46 46 ASP CA C 46 49.354 54.376 -5.022 1
1 188 . 18 1 1 A 46 46 ASP N N 46 126.564 128.208 -1.644 1
1 189 . 18 1 1 A 47 47 THR H H 47 9.122 8.475 0.647 1
1 190 . 18 1 1 A 47 47 THR HA H 47 4.274 4.148 0.126 1
1 191 . 18 1 1 A 47 47 THR CA C 47 60.700 63.633 -2.933 1
1 192 . 18 1 1 A 47 47 THR CB C 47 66.440 69.093 -2.653 1
1 193 . 18 1 1 A 47 47 THR N N 47 114.486 118.876 -4.390 1
1 194 . 18 1 1 A 48 48 TYR H H 48 8.834 8.103 0.731 1
1 195 . 18 1 1 A 48 48 TYR HA H 48 4.476 4.112 0.364 1
1 196 . 18 1 1 A 48 48 TYR CA C 48 57.699 61.647 -3.948 1
1 197 . 18 1 1 A 48 48 TYR N N 48 123.919 123.758 0.161 1
1 198 . 18 1 1 A 49 49 ASN H H 49 7.563 7.737 -0.174 1
1 199 . 18 1 1 A 49 49 ASN HA H 49 4.569 4.979 -0.410 1
1 200 . 18 1 1 A 49 49 ASN CA C 49 49.441 51.934 -2.493 1
1 201 . 18 1 1 A 49 49 ASN N N 49 113.858 113.492 0.366 1
1 202 . 18 1 1 A 50 50 ASN H H 50 7.915 8.091 -0.176 1
1 203 . 18 1 1 A 50 50 ASN HA H 50 4.288 4.503 -0.215 1
1 204 . 18 1 1 A 50 50 ASN CA C 50 51.746 54.474 -2.728 1
1 205 . 18 1 1 A 50 50 ASN N N 50 117.382 112.779 4.603 1
1 206 . 18 1 1 A 51 51 ALA H H 51 7.904 7.473 0.431 1
1 207 . 18 1 1 A 51 51 ALA HA H 51 4.520 4.442 0.078 1
1 208 . 18 1 1 A 51 51 ALA CA C 51 49.621 51.597 -1.976 1
1 209 . 18 1 1 A 51 51 ALA CB C 51 17.920 18.533 -0.613 1
1 210 . 18 1 1 A 51 51 ALA N N 51 121.152 120.544 0.608 1
1 211 . 18 1 1 A 52 52 VAL H H 52 8.317 8.170 0.147 1
1 212 . 18 1 1 A 52 52 VAL HA H 52 4.956 4.522 0.434 1
1 213 . 18 1 1 A 52 52 VAL CA C 52 58.076 61.994 -3.918 1
1 214 . 18 1 1 A 52 52 VAL N N 52 125.803 123.574 2.229 1
1 215 . 18 1 1 A 53 53 ASP H H 53 8.668 8.888 -0.220 1
1 216 . 18 1 1 A 53 53 ASP HA H 53 4.944 5.221 -0.277 1
1 217 . 18 1 1 A 53 53 ASP CA C 53 50.581 53.222 -2.641 1
1 218 . 18 1 1 A 53 53 ASP N N 53 126.104 125.409 0.695 1
1 219 . 18 1 1 A 54 54 CYS H H 54 8.563 8.761 -0.198 1
1 220 . 18 1 1 A 54 54 CYS HA H 54 4.776 4.679 0.097 1
1 221 . 18 1 1 A 54 54 CYS CA C 54 53.462 58.264 -4.802 1
1 222 . 18 1 1 A 54 54 CYS N N 54 123.741 124.601 -0.860 1
1 4 . 19 1 1 A 2 2 LYS H H 2 8.219 8.053 0.166 1
1 5 . 19 1 1 A 2 2 LYS HA H 2 5.318 5.086 0.232 1
1 6 . 19 1 1 A 2 2 LYS CA C 2 52.348 54.604 -2.256 1
1 7 . 19 1 1 A 2 2 LYS N N 2 120.076 116.688 3.388 1
1 8 . 19 1 1 A 3 3 TYR H H 3 8.999 8.841 0.158 1
1 9 . 19 1 1 A 3 3 TYR HA H 3 4.883 4.979 -0.096 1
1 10 . 19 1 1 A 3 3 TYR CA C 3 53.848 56.607 -2.759 1
1 11 . 19 1 1 A 3 3 TYR N N 3 122.800 118.485 4.315 1
1 12 . 19 1 1 A 4 4 THR H H 4 8.885 9.115 -0.230 1
1 13 . 19 1 1 A 4 4 THR HA H 4 5.117 5.016 0.101 1
1 14 . 19 1 1 A 4 4 THR CA C 4 58.871 60.740 -1.869 1
1 15 . 19 1 1 A 4 4 THR CB C 4 67.850 70.694 -2.844 1
1 16 . 19 1 1 A 4 4 THR N N 4 117.092 118.417 -1.325 1
1 17 . 19 1 1 A 5 5 GLY H H 5 9.159 8.451 0.708 1
1 18 . 19 1 1 A 5 5 GLY HA2 H 5 4.075 4.301 -0.226 1
1 19 . 19 1 1 A 5 5 GLY HA3 H 5 4.075 4.312 -0.237 1
1 20 . 19 1 1 A 5 5 GLY CA C 5 42.597 45.870 -3.273 1
1 21 . 19 1 1 A 5 5 GLY N N 5 115.357 114.301 1.056 1
1 22 . 19 1 1 A 6 6 LYS H H 6 8.495 8.859 -0.364 1
1 23 . 19 1 1 A 6 6 LYS HA H 6 5.460 5.119 0.341 1
1 24 . 19 1 1 A 6 6 LYS CA C 6 51.686 55.162 -3.476 1
1 25 . 19 1 1 A 6 6 LYS N N 6 121.225 119.398 1.827 1
1 26 . 19 1 1 A 7 7 CYS H H 7 9.847 8.944 0.903 1
1 27 . 19 1 1 A 7 7 CYS HA H 7 6.406 5.752 0.654 1
1 28 . 19 1 1 A 7 7 CYS CA C 7 50.542 56.846 -6.304 1
1 29 . 19 1 1 A 7 7 CYS N N 7 122.602 119.071 3.531 1
1 30 . 19 1 1 A 8 8 THR H H 8 8.726 8.408 0.318 1
1 31 . 19 1 1 A 8 8 THR HA H 8 4.793 4.809 -0.016 1
1 32 . 19 1 1 A 8 8 THR CA C 8 57.418 59.982 -2.564 1
1 33 . 19 1 1 A 8 8 THR CB C 8 68.450 70.781 -2.331 1
1 34 . 19 1 1 A 8 8 THR N N 8 113.380 114.093 -0.713 1
1 35 . 19 1 1 A 9 9 LYS H H 9 8.993 8.762 0.231 1
1 36 . 19 1 1 A 9 9 LYS HA H 9 3.627 4.028 -0.401 1
1 37 . 19 1 1 A 9 9 LYS CA C 9 57.323 59.127 -1.804 1
1 38 . 19 1 1 A 9 9 LYS N N 9 127.577 122.252 5.325 1
1 39 . 19 1 1 A 10 10 SER H H 10 9.424 7.920 1.504 1
1 40 . 19 1 1 A 10 10 SER HA H 10 4.094 4.371 -0.277 1
1 41 . 19 1 1 A 10 10 SER CA C 10 59.187 60.656 -1.469 1
1 42 . 19 1 1 A 10 10 SER CB C 10 59.200 63.327 -4.127 1
1 43 . 19 1 1 A 10 10 SER N N 10 116.462 112.685 3.777 1
1 44 . 19 1 1 A 11 11 LYS H H 11 7.083 8.146 -1.063 1
1 45 . 19 1 1 A 11 11 LYS HA H 11 4.258 4.749 -0.491 1
1 46 . 19 1 1 A 11 11 LYS CA C 11 53.366 55.247 -1.881 1
1 47 . 19 1 1 A 11 11 LYS N N 11 117.002 120.359 -3.357 1
1 48 . 19 1 1 A 12 12 ASN H H 12 7.681 8.938 -1.257 1
1 49 . 19 1 1 A 12 12 ASN HA H 12 4.646 4.812 -0.166 1
1 50 . 19 1 1 A 12 12 ASN CA C 12 51.004 52.377 -1.373 1
1 51 . 19 1 1 A 12 12 ASN N N 12 120.475 125.758 -5.283 1
1 52 . 19 1 1 A 13 13 GLU H H 13 7.314 8.299 -0.985 1
1 53 . 19 1 1 A 13 13 GLU HA H 13 4.960 5.028 -0.068 1
1 54 . 19 1 1 A 13 13 GLU CA C 13 52.227 54.718 -2.491 1
1 55 . 19 1 1 A 13 13 GLU N N 13 114.791 121.062 -6.271 1
1 56 . 19 1 1 A 14 14 CYS H H 14 9.691 8.466 1.225 1
1 57 . 19 1 1 A 14 14 CYS HA H 14 4.738 4.905 -0.167 1
1 58 . 19 1 1 A 14 14 CYS N N 14 123.353 121.144 2.209 1
1 59 . 19 1 1 A 15 15 LYS H H 15 8.714 7.987 0.727 1
1 60 . 19 1 1 A 15 15 LYS HA H 15 5.015 4.070 0.945 1
1 61 . 19 1 1 A 15 15 LYS CA C 15 51.724 55.683 -3.959 1
1 62 . 19 1 1 A 15 15 LYS N N 15 130.540 122.884 7.656 1
1 63 . 19 1 1 A 16 16 TYR H H 16 9.038 8.306 0.732 1
1 64 . 19 1 1 A 16 16 TYR HA H 16 4.993 5.179 -0.186 1
1 65 . 19 1 1 A 16 16 TYR CA C 16 52.239 56.011 -3.772 1
1 66 . 19 1 1 A 16 16 TYR N N 16 126.577 118.716 7.861 1
1 67 . 19 1 1 A 17 17 LYS H H 17 8.453 8.731 -0.278 1
1 68 . 19 1 1 A 17 17 LYS HA H 17 4.504 5.018 -0.514 1
1 69 . 19 1 1 A 17 17 LYS CA C 17 51.878 54.504 -2.626 1
1 70 . 19 1 1 A 17 17 LYS N N 17 120.816 118.577 2.239 1
1 71 . 19 1 1 A 18 18 ASN H H 18 7.811 8.443 -0.632 1
1 72 . 19 1 1 A 18 18 ASN HA H 18 4.181 5.238 -1.057 1
1 73 . 19 1 1 A 18 18 ASN CA C 18 48.245 50.888 -2.643 1
1 74 . 19 1 1 A 18 18 ASN N N 18 122.171 122.347 -0.176 1
1 75 . 19 1 1 A 19 19 ASP H H 19 8.284 9.210 -0.926 1
1 76 . 19 1 1 A 19 19 ASP HA H 19 4.469 4.512 -0.043 1
1 77 . 19 1 1 A 19 19 ASP CA C 19 54.562 56.223 -1.661 1
1 78 . 19 1 1 A 19 19 ASP N N 19 117.497 118.355 -0.858 1
1 79 . 19 1 1 A 20 20 ALA H H 20 7.482 8.102 -0.620 1
1 80 . 19 1 1 A 20 20 ALA HA H 20 4.471 4.473 -0.002 1
1 81 . 19 1 1 A 20 20 ALA CA C 20 48.893 51.301 -2.408 1
1 82 . 19 1 1 A 20 20 ALA CB C 20 16.190 18.963 -2.773 1
1 83 . 19 1 1 A 20 20 ALA N N 20 120.920 119.790 1.130 1
1 84 . 19 1 1 A 21 21 GLY H H 21 8.229 8.039 0.190 1
1 85 . 19 1 1 A 21 21 GLY HA2 H 21 4.173 3.908 0.265 1
1 86 . 19 1 1 A 21 21 GLY HA3 H 21 4.173 3.912 0.261 1
1 87 . 19 1 1 A 21 21 GLY CA C 21 43.316 45.649 -2.333 1
1 88 . 19 1 1 A 21 21 GLY N N 21 107.360 105.016 2.344 1
1 89 . 19 1 1 A 22 22 LYS H H 22 7.721 7.652 0.069 1
1 90 . 19 1 1 A 22 22 LYS HA H 22 4.390 4.386 0.004 1
1 91 . 19 1 1 A 22 22 LYS CA C 22 51.822 55.428 -3.606 1
1 92 . 19 1 1 A 22 22 LYS N N 22 120.479 121.725 -1.246 1
1 93 . 19 1 1 A 23 23 ASP H H 23 8.641 8.581 0.060 1
1 94 . 19 1 1 A 23 23 ASP HA H 23 4.365 5.249 -0.884 1
1 95 . 19 1 1 A 23 23 ASP CA C 23 53.040 52.547 0.493 1
1 96 . 19 1 1 A 23 23 ASP N N 23 126.541 120.555 5.986 1
1 97 . 19 1 1 A 24 24 THR H H 24 8.829 7.886 0.943 1
1 98 . 19 1 1 A 24 24 THR HA H 24 4.098 4.768 -0.670 1
1 99 . 19 1 1 A 24 24 THR CA C 24 59.221 60.821 -1.600 1
1 100 . 19 1 1 A 24 24 THR CB C 24 67.990 71.294 -3.304 1
1 101 . 19 1 1 A 24 24 THR N N 24 122.790 117.172 5.618 1
1 102 . 19 1 1 A 25 25 PHE H H 25 8.328 8.996 -0.668 1
1 103 . 19 1 1 A 25 25 PHE HA H 25 5.474 5.431 0.043 1
1 104 . 19 1 1 A 25 25 PHE CA C 25 53.722 56.594 -2.872 1
1 105 . 19 1 1 A 25 25 PHE N N 25 122.281 124.471 -2.190 1
1 106 . 19 1 1 A 26 26 ILE H H 26 9.138 8.988 0.150 1
1 107 . 19 1 1 A 26 26 ILE HA H 26 4.671 4.814 -0.143 1
1 108 . 19 1 1 A 26 26 ILE CA C 26 57.078 60.326 -3.248 1
1 109 . 19 1 1 A 26 26 ILE N N 26 123.064 123.388 -0.324 1
1 110 . 19 1 1 A 27 27 LYS H H 27 8.358 8.808 -0.450 1
1 111 . 19 1 1 A 27 27 LYS HA H 27 4.280 4.604 -0.324 1
1 112 . 19 1 1 A 27 27 LYS CA C 27 55.254 57.081 -1.827 1
1 113 . 19 1 1 A 27 27 LYS N N 27 127.092 128.831 -1.739 1
1 114 . 19 1 1 A 28 28 CYS H H 28 8.521 8.345 0.176 1
1 115 . 19 1 1 A 28 28 CYS HA H 28 4.653 4.445 0.208 1
1 116 . 19 1 1 A 28 28 CYS CA C 28 54.049 58.842 -4.793 1
1 117 . 19 1 1 A 28 28 CYS N N 28 119.722 123.866 -4.144 1
1 118 . 19 1 1 A 29 29 PRO HA H 29 4.427 4.405 0.022 1
1 119 . 19 1 1 A 29 29 PRO CA C 29 60.107 62.182 -2.075 1
1 120 . 19 1 1 A 30 30 LYS H H 30 8.055 7.700 0.355 1
1 121 . 19 1 1 A 30 30 LYS HA H 30 4.048 4.573 -0.525 1
1 122 . 19 1 1 A 30 30 LYS CA C 30 53.665 55.013 -1.348 1
1 123 . 19 1 1 A 30 30 LYS N N 30 116.627 122.740 -6.113 1
1 124 . 19 1 1 A 31 31 PHE H H 31 6.526 8.244 -1.718 1
1 125 . 19 1 1 A 31 31 PHE HA H 31 4.608 4.767 -0.159 1
1 126 . 19 1 1 A 31 31 PHE CA C 31 54.082 57.123 -3.041 1
1 127 . 19 1 1 A 31 31 PHE N N 31 116.828 123.138 -6.310 1
1 128 . 19 1 1 A 32 32 ASP H H 32 8.809 9.249 -0.440 1
1 129 . 19 1 1 A 32 32 ASP HA H 32 4.238 4.293 -0.055 1
1 130 . 19 1 1 A 32 32 ASP CA C 32 54.669 55.052 -0.383 1
1 131 . 19 1 1 A 32 32 ASP N N 32 121.542 123.997 -2.455 1
1 132 . 19 1 1 A 33 33 ASN H H 33 8.540 8.062 0.478 1
1 133 . 19 1 1 A 33 33 ASN HA H 33 4.636 4.986 -0.350 1
1 134 . 19 1 1 A 33 33 ASN CA C 33 51.706 54.533 -2.827 1
1 135 . 19 1 1 A 33 33 ASN N N 33 113.646 119.672 -6.026 1
1 136 . 19 1 1 A 34 34 LYS H H 34 7.737 7.658 0.079 1
1 137 . 19 1 1 A 34 34 LYS HA H 34 4.935 4.558 0.377 1
1 138 . 19 1 1 A 34 34 LYS CA C 34 52.839 55.208 -2.369 1
1 139 . 19 1 1 A 34 34 LYS N N 34 117.519 117.810 -0.291 1
1 140 . 19 1 1 A 35 35 LYS H H 35 6.969 8.060 -1.091 1
1 141 . 19 1 1 A 35 35 LYS HA H 35 4.601 4.360 0.241 1
1 142 . 19 1 1 A 35 35 LYS CA C 35 52.439 55.969 -3.530 1
1 143 . 19 1 1 A 35 35 LYS N N 35 116.846 121.796 -4.950 1
1 144 . 19 1 1 A 36 36 CYS H H 36 8.672 8.610 0.062 1
1 145 . 19 1 1 A 36 36 CYS HA H 36 4.781 4.443 0.338 1
1 146 . 19 1 1 A 36 36 CYS CA C 36 49.490 59.831 -10.341 1
1 147 . 19 1 1 A 36 36 CYS N N 36 118.220 124.365 -6.145 1
1 148 . 19 1 1 A 37 37 THR H H 37 10.153 8.548 1.605 1
1 149 . 19 1 1 A 37 37 THR HA H 37 4.287 4.634 -0.347 1
1 150 . 19 1 1 A 37 37 THR CA C 37 60.509 61.009 -0.500 1
1 151 . 19 1 1 A 37 37 THR CB C 37 68.160 69.130 -0.970 1
1 152 . 19 1 1 A 37 37 THR N N 37 121.911 118.017 3.894 1
1 153 . 19 1 1 A 38 38 LYS H H 38 7.346 7.833 -0.487 1
1 154 . 19 1 1 A 38 38 LYS HA H 38 4.235 4.633 -0.398 1
1 155 . 19 1 1 A 38 38 LYS CA C 38 54.060 55.533 -1.473 1
1 156 . 19 1 1 A 38 38 LYS N N 38 122.163 126.727 -4.564 1
1 157 . 19 1 1 A 39 39 ASP H H 39 8.827 8.735 0.092 1
1 158 . 19 1 1 A 39 39 ASP HA H 39 4.642 4.271 0.371 1
1 159 . 19 1 1 A 39 39 ASP CA C 39 52.593 55.799 -3.206 1
1 160 . 19 1 1 A 39 39 ASP N N 39 124.992 126.930 -1.938 1
1 161 . 19 1 1 A 40 40 ASN H H 40 9.522 9.197 0.325 1
1 162 . 19 1 1 A 40 40 ASN HA H 40 4.338 4.293 0.045 1
1 163 . 19 1 1 A 40 40 ASN CA C 40 53.076 54.285 -1.209 1
1 164 . 19 1 1 A 40 40 ASN N N 40 114.854 118.361 -3.507 1
1 165 . 19 1 1 A 41 41 ASN H H 41 7.801 7.894 -0.093 1
1 166 . 19 1 1 A 41 41 ASN HA H 41 4.779 4.777 0.002 1
1 167 . 19 1 1 A 41 41 ASN N N 41 120.270 115.454 4.816 1
1 168 . 19 1 1 A 42 42 LYS H H 42 8.529 8.448 0.081 1
1 169 . 19 1 1 A 42 42 LYS HA H 42 4.469 4.805 -0.336 1
1 170 . 19 1 1 A 42 42 LYS CA C 42 54.420 54.872 -0.452 1
1 171 . 19 1 1 A 42 42 LYS N N 42 119.707 121.077 -1.370 1
1 172 . 19 1 1 A 43 43 CYS H H 43 7.612 9.039 -1.427 1
1 173 . 19 1 1 A 43 43 CYS HA H 43 5.440 5.546 -0.106 1
1 174 . 19 1 1 A 43 43 CYS CA C 43 51.081 56.648 -5.567 1
1 175 . 19 1 1 A 43 43 CYS N N 43 113.820 122.788 -8.968 1
1 176 . 19 1 1 A 44 44 THR H H 44 9.039 8.634 0.405 1
1 177 . 19 1 1 A 44 44 THR HA H 44 5.322 5.386 -0.064 1
1 178 . 19 1 1 A 44 44 THR CA C 44 57.334 60.603 -3.269 1
1 179 . 19 1 1 A 44 44 THR CB C 44 69.530 71.400 -1.870 1
1 180 . 19 1 1 A 44 44 THR N N 44 113.118 112.483 0.635 1
1 181 . 19 1 1 A 45 45 VAL H H 45 8.647 8.898 -0.251 1
1 182 . 19 1 1 A 45 45 VAL HA H 45 4.544 4.434 0.110 1
1 183 . 19 1 1 A 45 45 VAL CA C 45 58.290 61.528 -3.238 1
1 184 . 19 1 1 A 45 45 VAL N N 45 122.102 126.926 -4.824 1
1 185 . 19 1 1 A 46 46 ASP H H 46 8.624 8.495 0.129 1
1 186 . 19 1 1 A 46 46 ASP HA H 46 5.396 4.994 0.402 1
1 187 . 19 1 1 A 46 46 ASP CA C 46 49.354 52.792 -3.438 1
1 188 . 19 1 1 A 46 46 ASP N N 46 126.564 127.461 -0.897 1
1 189 . 19 1 1 A 47 47 THR H H 47 9.122 9.076 0.046 1
1 190 . 19 1 1 A 47 47 THR HA H 47 4.274 4.369 -0.095 1
1 191 . 19 1 1 A 47 47 THR CA C 47 60.700 64.128 -3.428 1
1 192 . 19 1 1 A 47 47 THR CB C 47 66.440 69.100 -2.660 1
1 193 . 19 1 1 A 47 47 THR N N 47 114.486 119.312 -4.826 1
1 194 . 19 1 1 A 48 48 TYR H H 48 8.834 8.497 0.337 1
1 195 . 19 1 1 A 48 48 TYR HA H 48 4.476 4.064 0.412 1
1 196 . 19 1 1 A 48 48 TYR CA C 48 57.699 61.996 -4.297 1
1 197 . 19 1 1 A 48 48 TYR N N 48 123.919 123.700 0.219 1
1 198 . 19 1 1 A 49 49 ASN H H 49 7.563 7.960 -0.397 1
1 199 . 19 1 1 A 49 49 ASN HA H 49 4.569 4.807 -0.238 1
1 200 . 19 1 1 A 49 49 ASN CA C 49 49.441 51.796 -2.355 1
1 201 . 19 1 1 A 49 49 ASN N N 49 113.858 116.516 -2.658 1
1 202 . 19 1 1 A 50 50 ASN H H 50 7.915 8.236 -0.321 1
1 203 . 19 1 1 A 50 50 ASN HA H 50 4.288 4.333 -0.045 1
1 204 . 19 1 1 A 50 50 ASN CA C 50 51.746 54.379 -2.633 1
1 205 . 19 1 1 A 50 50 ASN N N 50 117.382 113.599 3.783 1
1 206 . 19 1 1 A 51 51 ALA H H 51 7.904 7.549 0.355 1
1 207 . 19 1 1 A 51 51 ALA HA H 51 4.520 4.750 -0.230 1
1 208 . 19 1 1 A 51 51 ALA CA C 51 49.621 50.744 -1.123 1
1 209 . 19 1 1 A 51 51 ALA CB C 51 17.920 19.447 -1.527 1
1 210 . 19 1 1 A 51 51 ALA N N 51 121.152 120.386 0.766 1
1 211 . 19 1 1 A 52 52 VAL H H 52 8.317 8.860 -0.543 1
1 212 . 19 1 1 A 52 52 VAL HA H 52 4.956 4.902 0.054 1
1 213 . 19 1 1 A 52 52 VAL CA C 52 58.076 61.072 -2.996 1
1 214 . 19 1 1 A 52 52 VAL N N 52 125.803 123.274 2.529 1
1 215 . 19 1 1 A 53 53 ASP H H 53 8.668 8.975 -0.307 1
1 216 . 19 1 1 A 53 53 ASP HA H 53 4.944 5.242 -0.298 1
1 217 . 19 1 1 A 53 53 ASP CA C 53 50.581 52.911 -2.330 1
1 218 . 19 1 1 A 53 53 ASP N N 53 126.104 126.181 -0.077 1
1 219 . 19 1 1 A 54 54 CYS H H 54 8.563 8.608 -0.045 1
1 220 . 19 1 1 A 54 54 CYS HA H 54 4.776 4.989 -0.213 1
1 221 . 19 1 1 A 54 54 CYS CA C 54 53.462 57.253 -3.791 1
1 222 . 19 1 1 A 54 54 CYS N N 54 123.741 115.935 7.806 1
1 4 . 20 1 1 A 2 2 LYS H H 2 8.219 8.418 -0.199 1
1 5 . 20 1 1 A 2 2 LYS HA H 2 5.318 5.023 0.295 1
1 6 . 20 1 1 A 2 2 LYS CA C 2 52.348 54.898 -2.550 1
1 7 . 20 1 1 A 2 2 LYS N N 2 120.076 120.481 -0.405 1
1 8 . 20 1 1 A 3 3 TYR H H 3 8.999 8.572 0.427 1
1 9 . 20 1 1 A 3 3 TYR HA H 3 4.883 4.899 -0.016 1
1 10 . 20 1 1 A 3 3 TYR CA C 3 53.848 56.713 -2.865 1
1 11 . 20 1 1 A 3 3 TYR N N 3 122.800 118.007 4.793 1
1 12 . 20 1 1 A 4 4 THR H H 4 8.885 8.809 0.076 1
1 13 . 20 1 1 A 4 4 THR HA H 4 5.117 5.006 0.111 1
1 14 . 20 1 1 A 4 4 THR CA C 4 58.871 60.173 -1.302 1
1 15 . 20 1 1 A 4 4 THR CB C 4 67.850 71.351 -3.501 1
1 16 . 20 1 1 A 4 4 THR N N 4 117.092 118.378 -1.286 1
1 17 . 20 1 1 A 5 5 GLY H H 5 9.159 8.406 0.753 1
1 18 . 20 1 1 A 5 5 GLY HA2 H 5 4.075 4.324 -0.249 1
1 19 . 20 1 1 A 5 5 GLY HA3 H 5 4.075 4.337 -0.262 1
1 20 . 20 1 1 A 5 5 GLY CA C 5 42.597 46.116 -3.519 1
1 21 . 20 1 1 A 5 5 GLY N N 5 115.357 110.994 4.363 1
1 22 . 20 1 1 A 6 6 LYS H H 6 8.495 8.466 0.029 1
1 23 . 20 1 1 A 6 6 LYS HA H 6 5.460 5.233 0.227 1
1 24 . 20 1 1 A 6 6 LYS CA C 6 51.686 55.105 -3.419 1
1 25 . 20 1 1 A 6 6 LYS N N 6 121.225 119.272 1.953 1
1 26 . 20 1 1 A 7 7 CYS H H 7 9.847 8.204 1.643 1
1 27 . 20 1 1 A 7 7 CYS HA H 7 6.406 5.211 1.195 1
1 28 . 20 1 1 A 7 7 CYS CA C 7 50.542 57.736 -7.194 1
1 29 . 20 1 1 A 7 7 CYS N N 7 122.602 119.872 2.730 1
1 30 . 20 1 1 A 8 8 THR H H 8 8.726 8.094 0.632 1
1 31 . 20 1 1 A 8 8 THR HA H 8 4.793 4.988 -0.195 1
1 32 . 20 1 1 A 8 8 THR CA C 8 57.418 59.440 -2.022 1
1 33 . 20 1 1 A 8 8 THR CB C 8 68.450 71.512 -3.062 1
1 34 . 20 1 1 A 8 8 THR N N 8 113.380 111.310 2.070 1
1 35 . 20 1 1 A 9 9 LYS H H 9 8.993 8.831 0.162 1
1 36 . 20 1 1 A 9 9 LYS HA H 9 3.627 4.060 -0.433 1
1 37 . 20 1 1 A 9 9 LYS CA C 9 57.323 58.690 -1.367 1
1 38 . 20 1 1 A 9 9 LYS N N 9 127.577 122.768 4.809 1
1 39 . 20 1 1 A 10 10 SER H H 10 9.424 8.073 1.351 1
1 40 . 20 1 1 A 10 10 SER HA H 10 4.094 4.515 -0.421 1
1 41 . 20 1 1 A 10 10 SER CA C 10 59.187 58.375 0.812 1
1 42 . 20 1 1 A 10 10 SER CB C 10 59.200 63.321 -4.121 1
1 43 . 20 1 1 A 10 10 SER N N 10 116.462 110.264 6.198 1
1 44 . 20 1 1 A 11 11 LYS H H 11 7.083 7.763 -0.680 1
1 45 . 20 1 1 A 11 11 LYS HA H 11 4.258 4.584 -0.326 1
1 46 . 20 1 1 A 11 11 LYS CA C 11 53.366 56.065 -2.699 1
1 47 . 20 1 1 A 11 11 LYS N N 11 117.002 121.675 -4.673 1
1 48 . 20 1 1 A 12 12 ASN H H 12 7.681 8.920 -1.239 1
1 49 . 20 1 1 A 12 12 ASN HA H 12 4.646 4.862 -0.216 1
1 50 . 20 1 1 A 12 12 ASN CA C 12 51.004 52.425 -1.421 1
1 51 . 20 1 1 A 12 12 ASN N N 12 120.475 125.370 -4.895 1
1 52 . 20 1 1 A 13 13 GLU H H 13 7.314 8.201 -0.887 1
1 53 . 20 1 1 A 13 13 GLU HA H 13 4.960 5.044 -0.084 1
1 54 . 20 1 1 A 13 13 GLU CA C 13 52.227 54.528 -2.301 1
1 55 . 20 1 1 A 13 13 GLU N N 13 114.791 121.113 -6.322 1
1 56 . 20 1 1 A 14 14 CYS H H 14 9.691 8.751 0.940 1
1 57 . 20 1 1 A 14 14 CYS HA H 14 4.738 4.693 0.045 1
1 58 . 20 1 1 A 14 14 CYS N N 14 123.353 123.095 0.258 1
1 59 . 20 1 1 A 15 15 LYS H H 15 8.714 8.804 -0.090 1
1 60 . 20 1 1 A 15 15 LYS HA H 15 5.015 4.975 0.040 1
1 61 . 20 1 1 A 15 15 LYS CA C 15 51.724 54.780 -3.056 1
1 62 . 20 1 1 A 15 15 LYS N N 15 130.540 128.873 1.667 1
1 63 . 20 1 1 A 16 16 TYR H H 16 9.038 8.310 0.728 1
1 64 . 20 1 1 A 16 16 TYR HA H 16 4.993 5.332 -0.339 1
1 65 . 20 1 1 A 16 16 TYR CA C 16 52.239 55.453 -3.214 1
1 66 . 20 1 1 A 16 16 TYR N N 16 126.577 123.648 2.929 1
1 67 . 20 1 1 A 17 17 LYS H H 17 8.453 8.799 -0.346 1
1 68 . 20 1 1 A 17 17 LYS HA H 17 4.504 4.985 -0.481 1
1 69 . 20 1 1 A 17 17 LYS CA C 17 51.878 54.862 -2.984 1
1 70 . 20 1 1 A 17 17 LYS N N 17 120.816 119.428 1.388 1
1 71 . 20 1 1 A 18 18 ASN H H 18 7.811 8.654 -0.843 1
1 72 . 20 1 1 A 18 18 ASN HA H 18 4.181 4.644 -0.463 1
1 73 . 20 1 1 A 18 18 ASN CA C 18 48.245 50.818 -2.573 1
1 74 . 20 1 1 A 18 18 ASN N N 18 122.171 123.236 -1.065 1
1 75 . 20 1 1 A 19 19 ASP H H 19 8.284 9.057 -0.773 1
1 76 . 20 1 1 A 19 19 ASP HA H 19 4.469 4.463 0.006 1
1 77 . 20 1 1 A 19 19 ASP CA C 19 54.562 56.178 -1.616 1
1 78 . 20 1 1 A 19 19 ASP N N 19 117.497 118.514 -1.017 1
1 79 . 20 1 1 A 20 20 ALA H H 20 7.482 8.151 -0.669 1
1 80 . 20 1 1 A 20 20 ALA HA H 20 4.471 4.480 -0.009 1
1 81 . 20 1 1 A 20 20 ALA CA C 20 48.893 51.204 -2.311 1
1 82 . 20 1 1 A 20 20 ALA CB C 20 16.190 19.337 -3.147 1
1 83 . 20 1 1 A 20 20 ALA N N 20 120.920 118.839 2.081 1
1 84 . 20 1 1 A 21 21 GLY H H 21 8.229 7.900 0.329 1
1 85 . 20 1 1 A 21 21 GLY HA2 H 21 4.173 4.011 0.162 1
1 86 . 20 1 1 A 21 21 GLY HA3 H 21 4.173 4.020 0.153 1
1 87 . 20 1 1 A 21 21 GLY CA C 21 43.316 45.190 -1.874 1
1 88 . 20 1 1 A 21 21 GLY N N 21 107.360 106.148 1.212 1
1 89 . 20 1 1 A 22 22 LYS H H 22 7.721 7.685 0.036 1
1 90 . 20 1 1 A 22 22 LYS HA H 22 4.390 4.302 0.088 1
1 91 . 20 1 1 A 22 22 LYS CA C 22 51.822 55.192 -3.370 1
1 92 . 20 1 1 A 22 22 LYS N N 22 120.479 120.107 0.372 1
1 93 . 20 1 1 A 23 23 ASP H H 23 8.641 8.517 0.124 1
1 94 . 20 1 1 A 23 23 ASP HA H 23 4.365 4.370 -0.005 1
1 95 . 20 1 1 A 23 23 ASP CA C 23 53.040 54.514 -1.474 1
1 96 . 20 1 1 A 23 23 ASP N N 23 126.541 125.251 1.290 1
1 97 . 20 1 1 A 24 24 THR H H 24 8.829 7.927 0.902 1
1 98 . 20 1 1 A 24 24 THR HA H 24 4.098 4.570 -0.472 1
1 99 . 20 1 1 A 24 24 THR CA C 24 59.221 60.468 -1.247 1
1 100 . 20 1 1 A 24 24 THR CB C 24 67.990 71.165 -3.175 1
1 101 . 20 1 1 A 24 24 THR N N 24 122.790 115.224 7.566 1
1 102 . 20 1 1 A 25 25 PHE H H 25 8.328 8.856 -0.528 1
1 103 . 20 1 1 A 25 25 PHE HA H 25 5.474 5.405 0.069 1
1 104 . 20 1 1 A 25 25 PHE CA C 25 53.722 56.089 -2.367 1
1 105 . 20 1 1 A 25 25 PHE N N 25 122.281 123.299 -1.018 1
1 106 . 20 1 1 A 26 26 ILE H H 26 9.138 8.771 0.367 1
1 107 . 20 1 1 A 26 26 ILE HA H 26 4.671 4.484 0.187 1
1 108 . 20 1 1 A 26 26 ILE CA C 26 57.078 60.284 -3.206 1
1 109 . 20 1 1 A 26 26 ILE N N 26 123.064 123.658 -0.594 1
1 110 . 20 1 1 A 27 27 LYS H H 27 8.358 8.027 0.331 1
1 111 . 20 1 1 A 27 27 LYS HA H 27 4.280 4.272 0.008 1
1 112 . 20 1 1 A 27 27 LYS CA C 27 55.254 58.621 -3.367 1
1 113 . 20 1 1 A 27 27 LYS N N 27 127.092 120.415 6.677 1
1 114 . 20 1 1 A 28 28 CYS H H 28 8.521 8.207 0.314 1
1 115 . 20 1 1 A 28 28 CYS HA H 28 4.653 4.935 -0.282 1
1 116 . 20 1 1 A 28 28 CYS CA C 28 54.049 56.771 -2.722 1
1 117 . 20 1 1 A 28 28 CYS N N 28 119.722 119.063 0.659 1
1 118 . 20 1 1 A 29 29 PRO HA H 29 4.427 4.782 -0.355 1
1 119 . 20 1 1 A 29 29 PRO CA C 29 60.107 62.392 -2.285 1
1 120 . 20 1 1 A 30 30 LYS H H 30 8.055 8.576 -0.521 1
1 121 . 20 1 1 A 30 30 LYS HA H 30 4.048 4.749 -0.701 1
1 122 . 20 1 1 A 30 30 LYS CA C 30 53.665 55.215 -1.550 1
1 123 . 20 1 1 A 30 30 LYS N N 30 116.627 122.550 -5.923 1
1 124 . 20 1 1 A 31 31 PHE H H 31 6.526 8.735 -2.209 1
1 125 . 20 1 1 A 31 31 PHE HA H 31 4.608 4.771 -0.163 1
1 126 . 20 1 1 A 31 31 PHE CA C 31 54.082 56.624 -2.542 1
1 127 . 20 1 1 A 31 31 PHE N N 31 116.828 123.983 -7.155 1
1 128 . 20 1 1 A 32 32 ASP H H 32 8.809 8.713 0.096 1
1 129 . 20 1 1 A 32 32 ASP HA H 32 4.238 4.293 -0.055 1
1 130 . 20 1 1 A 32 32 ASP CA C 32 54.669 55.008 -0.339 1
1 131 . 20 1 1 A 32 32 ASP N N 32 121.542 122.499 -0.957 1
1 132 . 20 1 1 A 33 33 ASN H H 33 8.540 8.207 0.333 1
1 133 . 20 1 1 A 33 33 ASN HA H 33 4.636 4.999 -0.363 1
1 134 . 20 1 1 A 33 33 ASN CA C 33 51.706 54.441 -2.735 1
1 135 . 20 1 1 A 33 33 ASN N N 33 113.646 122.942 -9.296 1
1 136 . 20 1 1 A 34 34 LYS H H 34 7.737 7.574 0.163 1
1 137 . 20 1 1 A 34 34 LYS HA H 34 4.935 4.499 0.436 1
1 138 . 20 1 1 A 34 34 LYS CA C 34 52.839 55.834 -2.995 1
1 139 . 20 1 1 A 34 34 LYS N N 34 117.519 118.947 -1.428 1
1 140 . 20 1 1 A 35 35 LYS H H 35 6.969 8.428 -1.459 1
1 141 . 20 1 1 A 35 35 LYS HA H 35 4.601 4.405 0.196 1
1 142 . 20 1 1 A 35 35 LYS CA C 35 52.439 55.763 -3.324 1
1 143 . 20 1 1 A 35 35 LYS N N 35 116.846 124.600 -7.754 1
1 144 . 20 1 1 A 36 36 CYS H H 36 8.672 8.514 0.158 1
1 145 . 20 1 1 A 36 36 CYS HA H 36 4.781 4.475 0.306 1
1 146 . 20 1 1 A 36 36 CYS CA C 36 49.490 59.726 -10.236 1
1 147 . 20 1 1 A 36 36 CYS N N 36 118.220 120.008 -1.788 1
1 148 . 20 1 1 A 37 37 THR H H 37 10.153 8.504 1.649 1
1 149 . 20 1 1 A 37 37 THR HA H 37 4.287 4.631 -0.344 1
1 150 . 20 1 1 A 37 37 THR CA C 37 60.509 61.168 -0.659 1
1 151 . 20 1 1 A 37 37 THR CB C 37 68.160 69.635 -1.475 1
1 152 . 20 1 1 A 37 37 THR N N 37 121.911 116.153 5.758 1
1 153 . 20 1 1 A 38 38 LYS H H 38 7.346 7.447 -0.101 1
1 154 . 20 1 1 A 38 38 LYS HA H 38 4.235 4.639 -0.404 1
1 155 . 20 1 1 A 38 38 LYS CA C 38 54.060 55.727 -1.667 1
1 156 . 20 1 1 A 38 38 LYS N N 38 122.163 122.659 -0.496 1
1 157 . 20 1 1 A 39 39 ASP H H 39 8.827 8.686 0.141 1
1 158 . 20 1 1 A 39 39 ASP HA H 39 4.642 4.564 0.078 1
1 159 . 20 1 1 A 39 39 ASP CA C 39 52.593 54.758 -2.165 1
1 160 . 20 1 1 A 39 39 ASP N N 39 124.992 123.630 1.362 1
1 161 . 20 1 1 A 40 40 ASN H H 40 9.522 9.230 0.292 1
1 162 . 20 1 1 A 40 40 ASN HA H 40 4.338 4.737 -0.399 1
1 163 . 20 1 1 A 40 40 ASN CA C 40 53.076 54.262 -1.186 1
1 164 . 20 1 1 A 40 40 ASN N N 40 114.854 121.272 -6.418 1
1 165 . 20 1 1 A 41 41 ASN H H 41 7.801 8.218 -0.417 1
1 166 . 20 1 1 A 41 41 ASN HA H 41 4.779 4.514 0.265 1
1 167 . 20 1 1 A 41 41 ASN N N 41 120.270 115.380 4.890 1
1 168 . 20 1 1 A 42 42 LYS H H 42 8.529 7.574 0.955 1
1 169 . 20 1 1 A 42 42 LYS HA H 42 4.469 4.664 -0.195 1
1 170 . 20 1 1 A 42 42 LYS CA C 42 54.420 55.818 -1.398 1
1 171 . 20 1 1 A 42 42 LYS N N 42 119.707 117.743 1.964 1
1 172 . 20 1 1 A 43 43 CYS H H 43 7.612 8.805 -1.193 1
1 173 . 20 1 1 A 43 43 CYS HA H 43 5.440 5.066 0.374 1
1 174 . 20 1 1 A 43 43 CYS CA C 43 51.081 56.475 -5.394 1
1 175 . 20 1 1 A 43 43 CYS N N 43 113.820 121.286 -7.466 1
1 176 . 20 1 1 A 44 44 THR H H 44 9.039 7.986 1.053 1
1 177 . 20 1 1 A 44 44 THR HA H 44 5.322 5.249 0.073 1
1 178 . 20 1 1 A 44 44 THR CA C 44 57.334 60.566 -3.232 1
1 179 . 20 1 1 A 44 44 THR CB C 44 69.530 71.460 -1.930 1
1 180 . 20 1 1 A 44 44 THR N N 44 113.118 112.505 0.613 1
1 181 . 20 1 1 A 45 45 VAL H H 45 8.647 8.436 0.211 1
1 182 . 20 1 1 A 45 45 VAL HA H 45 4.544 4.620 -0.076 1
1 183 . 20 1 1 A 45 45 VAL CA C 45 58.290 60.148 -1.858 1
1 184 . 20 1 1 A 45 45 VAL N N 45 122.102 123.789 -1.687 1
1 185 . 20 1 1 A 46 46 ASP H H 46 8.624 8.536 0.088 1
1 186 . 20 1 1 A 46 46 ASP HA H 46 5.396 5.041 0.355 1
1 187 . 20 1 1 A 46 46 ASP CA C 46 49.354 52.438 -3.084 1
1 188 . 20 1 1 A 46 46 ASP N N 46 126.564 126.124 0.440 1
1 189 . 20 1 1 A 47 47 THR H H 47 9.122 8.454 0.668 1
1 190 . 20 1 1 A 47 47 THR HA H 47 4.274 4.114 0.160 1
1 191 . 20 1 1 A 47 47 THR CA C 47 60.700 64.707 -4.007 1
1 192 . 20 1 1 A 47 47 THR CB C 47 66.440 68.924 -2.484 1
1 193 . 20 1 1 A 47 47 THR N N 47 114.486 120.713 -6.227 1
1 194 . 20 1 1 A 48 48 TYR H H 48 8.834 8.162 0.672 1
1 195 . 20 1 1 A 48 48 TYR HA H 48 4.476 4.159 0.317 1
1 196 . 20 1 1 A 48 48 TYR CA C 48 57.699 61.675 -3.976 1
1 197 . 20 1 1 A 48 48 TYR N N 48 123.919 122.917 1.002 1
1 198 . 20 1 1 A 49 49 ASN H H 49 7.563 7.868 -0.305 1
1 199 . 20 1 1 A 49 49 ASN HA H 49 4.569 4.929 -0.360 1
1 200 . 20 1 1 A 49 49 ASN CA C 49 49.441 52.081 -2.640 1
1 201 . 20 1 1 A 49 49 ASN N N 49 113.858 116.885 -3.027 1
1 202 . 20 1 1 A 50 50 ASN H H 50 7.915 8.177 -0.262 1
1 203 . 20 1 1 A 50 50 ASN HA H 50 4.288 4.396 -0.108 1
1 204 . 20 1 1 A 50 50 ASN CA C 50 51.746 53.943 -2.197 1
1 205 . 20 1 1 A 50 50 ASN N N 50 117.382 117.929 -0.547 1
1 206 . 20 1 1 A 51 51 ALA H H 51 7.904 8.036 -0.132 1
1 207 . 20 1 1 A 51 51 ALA HA H 51 4.520 4.772 -0.252 1
1 208 . 20 1 1 A 51 51 ALA CA C 51 49.621 50.848 -1.227 1
1 209 . 20 1 1 A 51 51 ALA CB C 51 17.920 22.175 -4.255 1
1 210 . 20 1 1 A 51 51 ALA N N 51 121.152 119.147 2.005 1
1 211 . 20 1 1 A 52 52 VAL H H 52 8.317 8.689 -0.372 1
1 212 . 20 1 1 A 52 52 VAL HA H 52 4.956 4.747 0.209 1
1 213 . 20 1 1 A 52 52 VAL CA C 52 58.076 60.926 -2.850 1
1 214 . 20 1 1 A 52 52 VAL N N 52 125.803 119.628 6.175 1
1 215 . 20 1 1 A 53 53 ASP H H 53 8.668 8.958 -0.290 1
1 216 . 20 1 1 A 53 53 ASP HA H 53 4.944 5.363 -0.419 1
1 217 . 20 1 1 A 53 53 ASP CA C 53 50.581 52.633 -2.052 1
1 218 . 20 1 1 A 53 53 ASP N N 53 126.104 124.950 1.154 1
1 219 . 20 1 1 A 54 54 CYS H H 54 8.563 8.554 0.009 1
1 220 . 20 1 1 A 54 54 CYS HA H 54 4.776 4.866 -0.090 1
1 221 . 20 1 1 A 54 54 CYS CA C 54 53.462 57.900 -4.438 1
1 222 . 20 1 1 A 54 54 CYS N N 54 123.741 118.063 5.678 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 51 3.329 1
3 1 1 1 "RMS(OBS, PRED)" CB 9 3.175 1
4 1 1 1 "RMS(OBS, PRED)" H 52 0.747 1
5 1 1 1 "RMS(OBS, PRED)" HA 55 0.381 1
6 1 1 1 "RMS(OBS, PRED)" N 52 3.977 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 51 3.303 1
9 1 2 1 "RMS(OBS, PRED)" CB 9 3.207 1
10 1 2 1 "RMS(OBS, PRED)" H 52 0.700 1
11 1 2 1 "RMS(OBS, PRED)" HA 55 0.357 1
12 1 2 1 "RMS(OBS, PRED)" N 52 4.020 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 51 3.234 1
15 1 3 1 "RMS(OBS, PRED)" CB 9 3.393 1
16 1 3 1 "RMS(OBS, PRED)" H 52 0.676 1
17 1 3 1 "RMS(OBS, PRED)" HA 55 0.387 1
18 1 3 1 "RMS(OBS, PRED)" N 52 3.828 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 51 3.279 1
21 1 4 1 "RMS(OBS, PRED)" CB 9 2.637 1
22 1 4 1 "RMS(OBS, PRED)" H 52 0.682 1
23 1 4 1 "RMS(OBS, PRED)" HA 55 0.405 1
24 1 4 1 "RMS(OBS, PRED)" N 52 3.782 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 51 3.252 1
27 1 5 1 "RMS(OBS, PRED)" CB 9 2.874 1
28 1 5 1 "RMS(OBS, PRED)" H 52 0.664 1
29 1 5 1 "RMS(OBS, PRED)" HA 55 0.406 1
30 1 5 1 "RMS(OBS, PRED)" N 52 3.907 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 51 3.289 1
33 1 6 1 "RMS(OBS, PRED)" CB 9 3.152 1
34 1 6 1 "RMS(OBS, PRED)" H 52 0.738 1
35 1 6 1 "RMS(OBS, PRED)" HA 55 0.399 1
36 1 6 1 "RMS(OBS, PRED)" N 52 4.079 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 51 3.336 1
39 1 7 1 "RMS(OBS, PRED)" CB 9 2.995 1
40 1 7 1 "RMS(OBS, PRED)" H 52 0.725 1
41 1 7 1 "RMS(OBS, PRED)" HA 55 0.354 1
42 1 7 1 "RMS(OBS, PRED)" N 52 3.817 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 51 3.323 1
45 1 8 1 "RMS(OBS, PRED)" CB 9 2.743 1
46 1 8 1 "RMS(OBS, PRED)" H 52 0.691 1
47 1 8 1 "RMS(OBS, PRED)" HA 55 0.403 1
48 1 8 1 "RMS(OBS, PRED)" N 52 3.990 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 51 3.096 1
51 1 9 1 "RMS(OBS, PRED)" CB 9 3.409 1
52 1 9 1 "RMS(OBS, PRED)" H 52 0.624 1
53 1 9 1 "RMS(OBS, PRED)" HA 55 0.347 1
54 1 9 1 "RMS(OBS, PRED)" N 52 3.565 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 51 3.121 1
57 1 10 1 "RMS(OBS, PRED)" CB 9 3.349 1
58 1 10 1 "RMS(OBS, PRED)" H 52 0.666 1
59 1 10 1 "RMS(OBS, PRED)" HA 55 0.365 1
60 1 10 1 "RMS(OBS, PRED)" N 52 3.812 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 51 3.324 1
63 1 11 1 "RMS(OBS, PRED)" CB 9 2.908 1
64 1 11 1 "RMS(OBS, PRED)" H 52 0.674 1
65 1 11 1 "RMS(OBS, PRED)" HA 55 0.367 1
66 1 11 1 "RMS(OBS, PRED)" N 52 3.446 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 51 3.241 1
69 1 12 1 "RMS(OBS, PRED)" CB 9 3.253 1
70 1 12 1 "RMS(OBS, PRED)" H 52 0.700 1
71 1 12 1 "RMS(OBS, PRED)" HA 55 0.394 1
72 1 12 1 "RMS(OBS, PRED)" N 52 3.780 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 51 3.313 1
75 1 13 1 "RMS(OBS, PRED)" CB 9 2.732 1
76 1 13 1 "RMS(OBS, PRED)" H 52 0.726 1
77 1 13 1 "RMS(OBS, PRED)" HA 55 0.373 1
78 1 13 1 "RMS(OBS, PRED)" N 52 4.157 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 51 3.259 1
81 1 14 1 "RMS(OBS, PRED)" CB 9 2.909 1
82 1 14 1 "RMS(OBS, PRED)" H 52 0.684 1
83 1 14 1 "RMS(OBS, PRED)" HA 55 0.351 1
84 1 14 1 "RMS(OBS, PRED)" N 52 3.808 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 51 3.300 1
87 1 15 1 "RMS(OBS, PRED)" CB 9 3.031 1
88 1 15 1 "RMS(OBS, PRED)" H 52 0.651 1
89 1 15 1 "RMS(OBS, PRED)" HA 55 0.342 1
90 1 15 1 "RMS(OBS, PRED)" N 52 3.854 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 51 3.264 1
93 1 16 1 "RMS(OBS, PRED)" CB 9 3.015 1
94 1 16 1 "RMS(OBS, PRED)" H 52 0.662 1
95 1 16 1 "RMS(OBS, PRED)" HA 55 0.392 1
96 1 16 1 "RMS(OBS, PRED)" N 52 4.069 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 51 3.319 1
99 1 17 1 "RMS(OBS, PRED)" CB 9 2.760 1
100 1 17 1 "RMS(OBS, PRED)" H 52 0.644 1
101 1 17 1 "RMS(OBS, PRED)" HA 55 0.381 1
102 1 17 1 "RMS(OBS, PRED)" N 52 3.827 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 51 3.341 1
105 1 18 1 "RMS(OBS, PRED)" CB 9 2.412 1
106 1 18 1 "RMS(OBS, PRED)" H 52 0.643 1
107 1 18 1 "RMS(OBS, PRED)" HA 55 0.349 1
108 1 18 1 "RMS(OBS, PRED)" N 52 3.164 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 51 3.227 1
111 1 19 1 "RMS(OBS, PRED)" CB 9 2.806 1
112 1 19 1 "RMS(OBS, PRED)" H 52 0.691 1
113 1 19 1 "RMS(OBS, PRED)" HA 55 0.360 1
114 1 19 1 "RMS(OBS, PRED)" N 52 4.151 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 51 3.154 1
117 1 20 1 "RMS(OBS, PRED)" CB 9 3.331 1
118 1 20 1 "RMS(OBS, PRED)" H 52 0.749 1
119 1 20 1 "RMS(OBS, PRED)" HA 55 0.326 1
120 1 20 1 "RMS(OBS, PRED)" N 52 4.108 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 4 . 1 1 A 2 2 LYS H H 2 8.219 8.227 -0.008 2
1 5 . 1 1 A 2 2 LYS HA H 2 5.318 4.818 0.500 2
1 6 . 1 1 A 2 2 LYS CA C 2 52.348 54.804 -2.456 2
1 7 . 1 1 A 2 2 LYS N N 2 120.076 117.814 2.262 2
1 8 . 1 1 A 3 3 TYR H H 3 8.999 8.695 0.304 2
1 9 . 1 1 A 3 3 TYR HA H 3 4.883 5.089 -0.206 2
1 10 . 1 1 A 3 3 TYR CA C 3 53.848 56.473 -2.625 2
1 11 . 1 1 A 3 3 TYR N N 3 122.800 118.543 4.257 2
1 12 . 1 1 A 4 4 THR H H 4 8.885 8.773 0.112 2
1 13 . 1 1 A 4 4 THR HA H 4 5.117 5.075 0.042 2
1 14 . 1 1 A 4 4 THR CA C 4 58.871 60.463 -1.592 2
1 15 . 1 1 A 4 4 THR CB C 4 67.850 71.147 -3.297 2
1 16 . 1 1 A 4 4 THR N N 4 117.092 116.284 0.808 2
1 17 . 1 1 A 5 5 GLY H H 5 9.159 8.193 0.966 2
1 18 . 1 1 A 5 5 GLY HA2 H 5 4.075 4.320 -0.245 2
1 19 . 1 1 A 5 5 GLY HA3 H 5 4.075 4.336 -0.261 2
1 20 . 1 1 A 5 5 GLY CA C 5 42.597 45.815 -3.218 2
1 21 . 1 1 A 5 5 GLY N N 5 115.357 111.430 3.927 2
1 22 . 1 1 A 6 6 LYS H H 6 8.495 8.488 0.007 2
1 23 . 1 1 A 6 6 LYS HA H 6 5.460 5.149 0.311 2
1 24 . 1 1 A 6 6 LYS CA C 6 51.686 54.696 -3.009 2
1 25 . 1 1 A 6 6 LYS N N 6 121.225 120.220 1.005 2
1 26 . 1 1 A 7 7 CYS H H 7 9.847 8.746 1.101 2
1 27 . 1 1 A 7 7 CYS HA H 7 6.406 5.358 1.048 2
1 28 . 1 1 A 7 7 CYS CA C 7 50.542 57.464 -6.922 2
1 29 . 1 1 A 7 7 CYS N N 7 122.602 118.982 3.620 2
1 30 . 1 1 A 8 8 THR H H 8 8.726 8.278 0.448 2
1 31 . 1 1 A 8 8 THR HA H 8 4.793 4.901 -0.108 2
1 32 . 1 1 A 8 8 THR CA C 8 57.418 59.971 -2.553 2
1 33 . 1 1 A 8 8 THR CB C 8 68.450 71.180 -2.730 2
1 34 . 1 1 A 8 8 THR N N 8 113.380 113.858 -0.478 2
1 35 . 1 1 A 9 9 LYS H H 9 8.993 8.832 0.161 2
1 36 . 1 1 A 9 9 LYS HA H 9 3.627 4.039 -0.412 2
1 37 . 1 1 A 9 9 LYS CA C 9 57.323 59.201 -1.878 2
1 38 . 1 1 A 9 9 LYS N N 9 127.577 123.584 3.993 2
1 39 . 1 1 A 10 10 SER H H 10 9.424 7.910 1.514 2
1 40 . 1 1 A 10 10 SER HA H 10 4.094 4.391 -0.297 2
1 41 . 1 1 A 10 10 SER CA C 10 59.187 59.793 -0.606 2
1 42 . 1 1 A 10 10 SER CB C 10 59.200 63.258 -4.058 2
1 43 . 1 1 A 10 10 SER N N 10 116.462 111.945 4.517 2
1 44 . 1 1 A 11 11 LYS H H 11 7.083 7.732 -0.649 2
1 45 . 1 1 A 11 11 LYS HA H 11 4.258 4.654 -0.396 2
1 46 . 1 1 A 11 11 LYS CA C 11 53.366 55.577 -2.211 2
1 47 . 1 1 A 11 11 LYS N N 11 117.002 120.455 -3.453 2
1 48 . 1 1 A 12 12 ASN H H 12 7.681 8.928 -1.247 2
1 49 . 1 1 A 12 12 ASN HA H 12 4.646 4.831 -0.185 2
1 50 . 1 1 A 12 12 ASN CA C 12 51.004 52.321 -1.317 2
1 51 . 1 1 A 12 12 ASN N N 12 120.475 125.022 -4.547 2
1 52 . 1 1 A 13 13 GLU H H 13 7.314 8.131 -0.817 2
1 53 . 1 1 A 13 13 GLU HA H 13 4.960 5.077 -0.117 2
1 54 . 1 1 A 13 13 GLU CA C 13 52.227 54.617 -2.391 2
1 55 . 1 1 A 13 13 GLU N N 13 114.791 120.080 -5.289 2
1 56 . 1 1 A 14 14 CYS H H 14 9.691 8.891 0.800 2
1 57 . 1 1 A 14 14 CYS HA H 14 4.738 4.697 0.042 2
1 58 . 1 1 A 14 14 CYS N N 14 123.353 122.204 1.149 2
1 59 . 1 1 A 15 15 LYS H H 15 8.714 8.316 0.398 2
1 60 . 1 1 A 15 15 LYS HA H 15 5.015 4.266 0.749 2
1 61 . 1 1 A 15 15 LYS CA C 15 51.724 55.420 -3.696 2
1 62 . 1 1 A 15 15 LYS N N 15 130.540 124.053 6.487 2
1 63 . 1 1 A 16 16 TYR H H 16 9.038 8.234 0.804 2
1 64 . 1 1 A 16 16 TYR HA H 16 4.993 5.228 -0.235 2
1 65 . 1 1 A 16 16 TYR CA C 16 52.239 55.586 -3.347 2
1 66 . 1 1 A 16 16 TYR N N 16 126.577 119.779 6.798 2
1 67 . 1 1 A 17 17 LYS H H 17 8.453 8.822 -0.369 2
1 68 . 1 1 A 17 17 LYS HA H 17 4.504 4.956 -0.452 2
1 69 . 1 1 A 17 17 LYS CA C 17 51.878 54.564 -2.686 2
1 70 . 1 1 A 17 17 LYS N N 17 120.816 118.601 2.215 2
1 71 . 1 1 A 18 18 ASN H H 18 7.811 8.402 -0.591 2
1 72 . 1 1 A 18 18 ASN HA H 18 4.181 5.131 -0.950 2
1 73 . 1 1 A 18 18 ASN CA C 18 48.245 51.107 -2.862 2
1 74 . 1 1 A 18 18 ASN N N 18 122.171 121.560 0.611 2
1 75 . 1 1 A 19 19 ASP H H 19 8.284 9.223 -0.939 2
1 76 . 1 1 A 19 19 ASP HA H 19 4.469 4.505 -0.036 2
1 77 . 1 1 A 19 19 ASP CA C 19 54.562 56.256 -1.694 2
1 78 . 1 1 A 19 19 ASP N N 19 117.497 118.634 -1.137 2
1 79 . 1 1 A 20 20 ALA H H 20 7.482 8.148 -0.666 2
1 80 . 1 1 A 20 20 ALA HA H 20 4.471 4.471 0.000 2
1 81 . 1 1 A 20 20 ALA CA C 20 48.893 51.283 -2.390 2
1 82 . 1 1 A 20 20 ALA CB C 20 16.190 19.357 -3.167 2
1 83 . 1 1 A 20 20 ALA N N 20 120.920 119.370 1.550 2
1 84 . 1 1 A 21 21 GLY H H 21 8.229 7.794 0.435 2
1 85 . 1 1 A 21 21 GLY HA2 H 21 4.173 4.000 0.173 2
1 86 . 1 1 A 21 21 GLY HA3 H 21 4.173 4.010 0.163 2
1 87 . 1 1 A 21 21 GLY CA C 21 43.316 45.291 -1.975 2
1 88 . 1 1 A 21 21 GLY N N 21 107.360 105.988 1.372 2
1 89 . 1 1 A 22 22 LYS H H 22 7.721 7.615 0.106 2
1 90 . 1 1 A 22 22 LYS HA H 22 4.390 4.280 0.110 2
1 91 . 1 1 A 22 22 LYS CA C 22 51.822 55.580 -3.758 2
1 92 . 1 1 A 22 22 LYS N N 22 120.479 120.596 -0.117 2
1 93 . 1 1 A 23 23 ASP H H 23 8.641 8.507 0.135 2
1 94 . 1 1 A 23 23 ASP HA H 23 4.365 4.504 -0.139 2
1 95 . 1 1 A 23 23 ASP CA C 23 53.040 54.359 -1.319 2
1 96 . 1 1 A 23 23 ASP N N 23 126.541 124.613 1.928 2
1 97 . 1 1 A 24 24 THR H H 24 8.829 8.217 0.612 2
1 98 . 1 1 A 24 24 THR HA H 24 4.098 4.758 -0.660 2
1 99 . 1 1 A 24 24 THR CA C 24 59.221 60.796 -1.575 2
1 100 . 1 1 A 24 24 THR CB C 24 67.990 71.071 -3.081 2
1 101 . 1 1 A 24 24 THR N N 24 122.790 117.819 4.971 2
1 102 . 1 1 A 25 25 PHE H H 25 8.328 8.949 -0.621 2
1 103 . 1 1 A 25 25 PHE HA H 25 5.474 5.423 0.051 2
1 104 . 1 1 A 25 25 PHE CA C 25 53.722 56.219 -2.497 2
1 105 . 1 1 A 25 25 PHE N N 25 122.281 124.293 -2.012 2
1 106 . 1 1 A 26 26 ILE H H 26 9.138 8.802 0.336 2
1 107 . 1 1 A 26 26 ILE HA H 26 4.671 4.725 -0.054 2
1 108 . 1 1 A 26 26 ILE CA C 26 57.078 60.032 -2.954 2
1 109 . 1 1 A 26 26 ILE N N 26 123.064 122.631 0.433 2
1 110 . 1 1 A 27 27 LYS H H 27 8.358 8.500 -0.142 2
1 111 . 1 1 A 27 27 LYS HA H 27 4.280 4.460 -0.180 2
1 112 . 1 1 A 27 27 LYS CA C 27 55.254 57.122 -1.868 2
1 113 . 1 1 A 27 27 LYS N N 27 127.092 126.690 0.402 2
1 114 . 1 1 A 28 28 CYS H H 28 8.521 8.477 0.044 2
1 115 . 1 1 A 28 28 CYS HA H 28 4.653 4.728 -0.075 2
1 116 . 1 1 A 28 28 CYS CA C 28 54.049 58.103 -4.054 2
1 117 . 1 1 A 28 28 CYS N N 28 119.722 122.438 -2.716 2
1 118 . 1 1 A 29 29 PRO HA H 29 4.427 4.652 -0.225 2
1 119 . 1 1 A 29 29 PRO CA C 29 60.107 62.398 -2.291 2
1 120 . 1 1 A 30 30 LYS H H 30 8.055 8.233 -0.178 2
1 121 . 1 1 A 30 30 LYS HA H 30 4.048 4.615 -0.567 2
1 122 . 1 1 A 30 30 LYS CA C 30 53.665 55.160 -1.495 2
1 123 . 1 1 A 30 30 LYS N N 30 116.627 122.284 -5.657 2
1 124 . 1 1 A 31 31 PHE H H 31 6.526 8.008 -1.482 2
1 125 . 1 1 A 31 31 PHE HA H 31 4.608 4.751 -0.143 2
1 126 . 1 1 A 31 31 PHE CA C 31 54.082 56.959 -2.877 2
1 127 . 1 1 A 31 31 PHE N N 31 116.828 121.582 -4.754 2
1 128 . 1 1 A 32 32 ASP H H 32 8.809 8.772 0.037 2
1 129 . 1 1 A 32 32 ASP HA H 32 4.238 4.396 -0.158 2
1 130 . 1 1 A 32 32 ASP CA C 32 54.669 55.087 -0.418 2
1 131 . 1 1 A 32 32 ASP N N 32 121.542 121.401 0.141 2
1 132 . 1 1 A 33 33 ASN H H 33 8.540 8.234 0.306 2
1 133 . 1 1 A 33 33 ASN HA H 33 4.636 4.957 -0.321 2
1 134 . 1 1 A 33 33 ASN CA C 33 51.706 54.400 -2.694 2
1 135 . 1 1 A 33 33 ASN N N 33 113.646 118.606 -4.960 2
1 136 . 1 1 A 34 34 LYS H H 34 7.737 7.548 0.189 2
1 137 . 1 1 A 34 34 LYS HA H 34 4.935 4.534 0.401 2
1 138 . 1 1 A 34 34 LYS CA C 34 52.839 55.546 -2.707 2
1 139 . 1 1 A 34 34 LYS N N 34 117.519 118.222 -0.703 2
1 140 . 1 1 A 35 35 LYS H H 35 6.969 8.159 -1.190 2
1 141 . 1 1 A 35 35 LYS HA H 35 4.601 4.383 0.218 2
1 142 . 1 1 A 35 35 LYS CA C 35 52.439 55.842 -3.403 2
1 143 . 1 1 A 35 35 LYS N N 35 116.846 122.648 -5.802 2
1 144 . 1 1 A 36 36 CYS H H 36 8.672 8.453 0.219 2
1 145 . 1 1 A 36 36 CYS HA H 36 4.781 4.436 0.345 2
1 146 . 1 1 A 36 36 CYS CA C 36 49.490 59.869 -10.379 2
1 147 . 1 1 A 36 36 CYS N N 36 118.220 120.937 -2.717 2
1 148 . 1 1 A 37 37 THR H H 37 10.153 8.592 1.561 2
1 149 . 1 1 A 37 37 THR HA H 37 4.287 4.657 -0.370 2
1 150 . 1 1 A 37 37 THR CA C 37 60.509 60.789 -0.280 2
1 151 . 1 1 A 37 37 THR CB C 37 68.160 69.140 -0.980 2
1 152 . 1 1 A 37 37 THR N N 37 121.911 115.959 5.952 2
1 153 . 1 1 A 38 38 LYS H H 38 7.346 7.508 -0.162 2
1 154 . 1 1 A 38 38 LYS HA H 38 4.235 4.594 -0.359 2
1 155 . 1 1 A 38 38 LYS CA C 38 54.060 55.735 -1.675 2
1 156 . 1 1 A 38 38 LYS N N 38 122.163 121.824 0.339 2
1 157 . 1 1 A 39 39 ASP H H 39 8.827 8.722 0.105 2
1 158 . 1 1 A 39 39 ASP HA H 39 4.642 4.473 0.169 2
1 159 . 1 1 A 39 39 ASP CA C 39 52.593 55.157 -2.563 2
1 160 . 1 1 A 39 39 ASP N N 39 124.992 123.973 1.019 2
1 161 . 1 1 A 40 40 ASN H H 40 9.522 9.084 0.438 2
1 162 . 1 1 A 40 40 ASN HA H 40 4.338 4.513 -0.174 2
1 163 . 1 1 A 40 40 ASN CA C 40 53.076 54.250 -1.174 2
1 164 . 1 1 A 40 40 ASN N N 40 114.854 118.412 -3.558 2
1 165 . 1 1 A 41 41 ASN H H 41 7.801 8.086 -0.285 2
1 166 . 1 1 A 41 41 ASN HA H 41 4.779 4.720 0.059 2
1 167 . 1 1 A 41 41 ASN N N 41 120.270 115.808 4.462 2
1 168 . 1 1 A 42 42 LYS H H 42 8.529 7.899 0.630 2
1 169 . 1 1 A 42 42 LYS HA H 42 4.469 4.739 -0.271 2
1 170 . 1 1 A 42 42 LYS CA C 42 54.420 55.569 -1.149 2
1 171 . 1 1 A 42 42 LYS N N 42 119.707 117.287 2.420 2
1 172 . 1 1 A 43 43 CYS H H 43 7.612 8.578 -0.966 2
1 173 . 1 1 A 43 43 CYS HA H 43 5.440 5.196 0.244 2
1 174 . 1 1 A 43 43 CYS CA C 43 51.081 57.410 -6.329 2
1 175 . 1 1 A 43 43 CYS N N 43 113.820 122.895 -9.075 2
1 176 . 1 1 A 44 44 THR H H 44 9.039 8.402 0.637 2
1 177 . 1 1 A 44 44 THR HA H 44 5.322 5.171 0.151 2
1 178 . 1 1 A 44 44 THR CA C 44 57.334 60.527 -3.193 2
1 179 . 1 1 A 44 44 THR CB C 44 69.530 71.681 -2.151 2
1 180 . 1 1 A 44 44 THR N N 44 113.118 113.359 -0.241 2
1 181 . 1 1 A 45 45 VAL H H 45 8.647 8.366 0.281 2
1 182 . 1 1 A 45 45 VAL HA H 45 4.544 4.820 -0.276 2
1 183 . 1 1 A 45 45 VAL CA C 45 58.290 60.789 -2.499 2
1 184 . 1 1 A 45 45 VAL N N 45 122.102 122.322 -0.220 2
1 185 . 1 1 A 46 46 ASP H H 46 8.624 8.735 -0.111 2
1 186 . 1 1 A 46 46 ASP HA H 46 5.396 5.132 0.264 2
1 187 . 1 1 A 46 46 ASP CA C 46 49.354 52.989 -3.635 2
1 188 . 1 1 A 46 46 ASP N N 46 126.564 126.721 -0.156 2
1 189 . 1 1 A 47 47 THR H H 47 9.122 8.612 0.510 2
1 190 . 1 1 A 47 47 THR HA H 47 4.274 4.288 -0.014 2
1 191 . 1 1 A 47 47 THR CA C 47 60.700 64.111 -3.411 2
1 192 . 1 1 A 47 47 THR CB C 47 66.440 69.093 -2.653 2
1 193 . 1 1 A 47 47 THR N N 47 114.486 117.678 -3.192 2
1 194 . 1 1 A 48 48 TYR H H 48 8.834 8.157 0.677 2
1 195 . 1 1 A 48 48 TYR HA H 48 4.476 4.090 0.386 2
1 196 . 1 1 A 48 48 TYR CA C 48 57.699 61.889 -4.191 2
1 197 . 1 1 A 48 48 TYR N N 48 123.919 123.884 0.035 2
1 198 . 1 1 A 49 49 ASN H H 49 7.563 7.862 -0.299 2
1 199 . 1 1 A 49 49 ASN HA H 49 4.569 4.885 -0.316 2
1 200 . 1 1 A 49 49 ASN CA C 49 49.441 51.907 -2.466 2
1 201 . 1 1 A 49 49 ASN N N 49 113.858 114.956 -1.098 2
1 202 . 1 1 A 50 50 ASN H H 50 7.915 8.106 -0.191 2
1 203 . 1 1 A 50 50 ASN HA H 50 4.288 4.451 -0.163 2
1 204 . 1 1 A 50 50 ASN CA C 50 51.746 54.136 -2.390 2
1 205 . 1 1 A 50 50 ASN N N 50 117.382 115.981 1.401 2
1 206 . 1 1 A 51 51 ALA H H 51 7.904 7.685 0.219 2
1 207 . 1 1 A 51 51 ALA HA H 51 4.520 4.542 -0.022 2
1 208 . 1 1 A 51 51 ALA CA C 51 49.621 51.284 -1.663 2
1 209 . 1 1 A 51 51 ALA CB C 51 17.920 19.385 -1.465 2
1 210 . 1 1 A 51 51 ALA N N 51 121.152 120.493 0.659 2
1 211 . 1 1 A 52 52 VAL H H 52 8.317 8.630 -0.313 2
1 212 . 1 1 A 52 52 VAL HA H 52 4.956 4.669 0.287 2
1 213 . 1 1 A 52 52 VAL CA C 52 58.076 61.708 -3.632 2
1 214 . 1 1 A 52 52 VAL N N 52 125.803 123.429 2.374 2
1 215 . 1 1 A 53 53 ASP H H 53 8.668 8.921 -0.253 2
1 216 . 1 1 A 53 53 ASP HA H 53 4.944 5.167 -0.223 2
1 217 . 1 1 A 53 53 ASP CA C 53 50.581 53.004 -2.422 2
1 218 . 1 1 A 53 53 ASP N N 53 126.104 126.235 -0.131 2
1 219 . 1 1 A 54 54 CYS H H 54 8.563 8.677 -0.114 2
1 220 . 1 1 A 54 54 CYS HA H 54 4.776 4.909 -0.133 2
1 221 . 1 1 A 54 54 CYS CA C 54 53.462 57.601 -4.139 2
1 222 . 1 1 A 54 54 CYS N N 54 123.741 118.961 4.780 2
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