data_16025_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16025
_Entry.PDB_ID 2KAK
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 5 . 1 1 1 A 2 2 GLU H H 32 8.239 8.331 -0.092 1
1 6 . 1 1 1 A 2 2 GLU HA H 32 4.219 4.485 -0.266 1
1 11 . 1 1 1 A 2 2 GLU N N 32 120.194 124.875 -4.681 1
1 12 . 1 1 1 A 3 3 HIS H H 33 8.495 8.552 -0.057 1
1 13 . 1 1 1 A 3 3 HIS HA H 33 4.786 4.889 -0.103 1
1 18 . 1 1 1 A 3 3 HIS N N 33 118.099 119.898 -1.799 1
1 19 . 1 1 1 A 4 4 THR H H 34 9.623 8.421 1.202 1
1 20 . 1 1 1 A 4 4 THR HA H 34 4.376 4.306 0.070 1
1 25 . 1 1 1 A 4 4 THR N N 34 123.055 115.194 7.861 1
1 26 . 1 1 1 A 5 5 THR H H 35 8.303 8.376 -0.073 1
1 27 . 1 1 1 A 5 5 THR HA H 35 4.567 4.869 -0.302 1
1 32 . 1 1 1 A 5 5 THR N N 35 112.573 116.887 -4.314 1
1 33 . 1 1 1 A 6 6 CYS H H 36 8.310 8.802 -0.492 1
1 34 . 1 1 1 A 6 6 CYS HA H 36 4.044 4.636 -0.592 1
1 37 . 1 1 1 A 6 6 CYS N N 36 119.577 122.399 -2.822 1
1 38 . 1 1 1 A 7 7 GLY H H 37 9.375 8.797 0.578 1
1 39 . 1 1 1 A 7 7 GLY HA2 H 37 3.892 3.806 0.086 1
1 40 . 1 1 1 A 7 7 GLY HA3 H 37 3.974 3.809 0.165 1
1 41 . 1 1 1 A 7 7 GLY N N 37 123.215 113.095 10.120 1
1 42 . 1 1 1 A 8 8 CYS H H 38 7.181 7.650 -0.469 1
1 43 . 1 1 1 A 8 8 CYS HA H 38 4.507 4.369 0.138 1
1 46 . 1 1 1 A 8 8 CYS N N 38 117.576 118.204 -0.628 1
1 47 . 1 1 1 A 9 9 GLY H H 39 8.218 9.576 -1.358 1
1 48 . 1 1 1 A 9 9 GLY HA2 H 39 4.453 3.926 0.527 1
1 49 . 1 1 1 A 9 9 GLY HA3 H 39 4.453 3.932 0.521 1
1 50 . 1 1 1 A 9 9 GLY N N 39 111.592 111.155 0.437 1
1 51 . 1 1 1 A 10 10 GLU H H 40 8.189 7.644 0.545 1
1 52 . 1 1 1 A 10 10 GLU HA H 40 4.453 4.754 -0.301 1
1 57 . 1 1 1 A 10 10 GLU N N 40 122.585 118.245 4.340 1
1 58 . 1 1 1 A 11 11 HIS H H 41 9.047 8.722 0.325 1
1 59 . 1 1 1 A 11 11 HIS HA H 41 4.348 4.583 -0.235 1
1 64 . 1 1 1 A 11 11 HIS N N 41 123.245 124.284 -1.039 1
1 65 . 1 1 1 A 12 12 CYS H H 42 8.400 8.569 -0.169 1
1 66 . 1 1 1 A 12 12 CYS HA H 42 4.392 4.815 -0.423 1
1 69 . 1 1 1 A 12 12 CYS N N 42 125.049 121.755 3.294 1
1 70 . 1 1 1 A 13 13 GLY H H 43 8.437 8.745 -0.308 1
1 71 . 1 1 1 A 13 13 GLY HA2 H 43 3.724 3.861 -0.137 1
1 72 . 1 1 1 A 13 13 GLY HA3 H 43 3.827 3.867 -0.040 1
1 73 . 1 1 1 A 13 13 GLY N N 43 113.590 113.191 0.399 1
1 74 . 1 1 1 A 14 14 CYS H H 44 7.420 7.922 -0.502 1
1 75 . 1 1 1 A 14 14 CYS HA H 44 4.299 4.309 -0.010 1
1 78 . 1 1 1 A 14 14 CYS N N 44 118.586 116.750 1.836 1
1 79 . 1 1 1 A 15 15 ASN H H 45 7.169 7.780 -0.611 1
1 80 . 1 1 1 A 15 15 ASN HA H 45 4.826 5.163 -0.337 1
1 85 . 1 1 1 A 15 15 ASN N N 45 120.140 118.834 1.306 1
1 86 . 1 1 1 A 16 16 PRO HA H 46 4.103 4.755 -0.652 1
1 93 . 1 1 1 A 17 17 CYS H H 47 8.576 8.258 0.318 1
1 94 . 1 1 1 A 17 17 CYS HA H 47 4.428 4.795 -0.367 1
1 97 . 1 1 1 A 17 17 CYS N N 47 124.271 117.548 6.723 1
1 98 . 1 1 1 A 18 18 ALA H H 48 8.960 8.533 0.427 1
1 99 . 1 1 1 A 18 18 ALA HA H 48 4.157 4.129 0.028 1
1 103 . 1 1 1 A 18 18 ALA N N 48 133.579 122.636 10.943 1
1 104 . 1 1 1 A 19 19 CYS H H 49 9.093 8.017 1.076 1
1 105 . 1 1 1 A 19 19 CYS HA H 49 4.413 4.696 -0.283 1
1 108 . 1 1 1 A 19 19 CYS N N 49 119.595 114.700 4.895 1
1 109 . 1 1 1 A 20 20 GLY H H 50 7.744 8.393 -0.649 1
1 110 . 1 1 1 A 20 20 GLY HA2 H 50 4.099 3.953 0.146 1
1 111 . 1 1 1 A 20 20 GLY HA3 H 50 3.748 3.960 -0.212 1
1 112 . 1 1 1 A 20 20 GLY N N 50 110.042 110.822 -0.780 1
1 113 . 1 1 1 A 21 21 ARG H H 51 8.368 7.926 0.442 1
1 114 . 1 1 1 A 21 21 ARG HA H 51 4.072 4.376 -0.304 1
1 121 . 1 1 1 A 21 21 ARG N N 51 123.936 122.107 1.829 1
1 122 . 1 1 1 A 22 22 GLU H H 52 8.479 8.915 -0.436 1
1 123 . 1 1 1 A 22 22 GLU HA H 52 4.270 4.774 -0.504 1
1 128 . 1 1 1 A 22 22 GLU N N 52 125.329 123.003 2.326 1
1 129 . 1 1 1 A 23 23 GLY H H 53 8.279 8.055 0.224 1
1 130 . 1 1 1 A 23 23 GLY HA2 H 53 4.082 4.090 -0.008 1
1 131 . 1 1 1 A 23 23 GLY HA3 H 53 3.834 4.104 -0.270 1
1 132 . 1 1 1 A 23 23 GLY N N 53 109.702 109.928 -0.226 1
1 133 . 1 1 1 A 24 24 THR H H 54 8.436 8.594 -0.158 1
1 134 . 1 1 1 A 24 24 THR HA H 54 4.500 4.309 0.191 1
1 139 . 1 1 1 A 24 24 THR N N 54 118.091 115.925 2.166 1
1 140 . 1 1 1 A 25 25 PRO HA H 55 3.884 4.830 -0.946 1
1 147 . 1 1 1 A 26 26 SER H H 56 8.916 8.137 0.779 1
1 148 . 1 1 1 A 26 26 SER HA H 56 4.182 4.350 -0.168 1
1 151 . 1 1 1 A 26 26 SER N N 56 119.151 118.780 0.371 1
1 152 . 1 1 1 A 27 27 GLY H H 57 8.936 8.854 0.082 1
1 153 . 1 1 1 A 27 27 GLY HA2 H 57 3.705 3.884 -0.179 1
1 154 . 1 1 1 A 27 27 GLY HA3 H 57 3.875 3.884 -0.009 1
1 155 . 1 1 1 A 27 27 GLY N N 57 111.837 113.230 -1.393 1
1 156 . 1 1 1 A 28 28 ARG H H 58 7.970 8.500 -0.530 1
1 157 . 1 1 1 A 28 28 ARG HA H 58 4.024 4.543 -0.519 1
1 164 . 1 1 1 A 28 28 ARG N N 58 120.058 120.535 -0.477 1
1 165 . 1 1 1 A 29 29 ALA H H 59 8.507 7.454 1.053 1
1 166 . 1 1 1 A 29 29 ALA HA H 59 4.073 4.527 -0.454 1
1 170 . 1 1 1 A 29 29 ALA N N 59 125.094 120.180 4.914 1
1 171 . 1 1 1 A 30 30 ASN H H 60 8.497 8.447 0.050 1
1 172 . 1 1 1 A 30 30 ASN HA H 60 4.372 4.795 -0.423 1
1 177 . 1 1 1 A 30 30 ASN N N 60 113.096 115.923 -2.827 1
1 178 . 1 1 1 A 31 31 ARG H H 61 7.205 7.767 -0.562 1
1 179 . 1 1 1 A 31 31 ARG HA H 61 4.885 4.707 0.178 1
1 186 . 1 1 1 A 31 31 ARG N N 61 116.323 118.980 -2.657 1
1 187 . 1 1 1 A 32 32 ARG H H 62 8.215 8.992 -0.777 1
1 188 . 1 1 1 A 32 32 ARG HA H 62 3.983 4.079 -0.096 1
1 195 . 1 1 1 A 32 32 ARG N N 62 121.556 123.670 -2.114 1
1 196 . 1 1 1 A 33 33 ALA H H 63 8.569 7.992 0.577 1
1 197 . 1 1 1 A 33 33 ALA HA H 63 3.979 4.111 -0.132 1
1 201 . 1 1 1 A 33 33 ALA N N 63 125.837 120.653 5.184 1
1 202 . 1 1 1 A 34 34 ASN H H 64 7.992 8.295 -0.303 1
1 203 . 1 1 1 A 34 34 ASN HA H 64 4.455 5.009 -0.554 1
1 208 . 1 1 1 A 34 34 ASN N N 64 112.193 112.549 -0.356 1
1 209 . 1 1 1 A 35 35 CYS H H 65 7.716 7.746 -0.030 1
1 210 . 1 1 1 A 35 35 CYS HA H 65 4.579 4.599 -0.020 1
1 213 . 1 1 1 A 35 35 CYS N N 65 122.640 121.386 1.254 1
1 214 . 1 1 1 A 36 36 SER H H 66 9.392 8.842 0.550 1
1 215 . 1 1 1 A 36 36 SER HA H 66 4.764 4.461 0.303 1
1 218 . 1 1 1 A 36 36 SER N N 66 129.091 122.192 6.899 1
1 219 . 1 1 1 A 37 37 CYS H H 67 9.652 7.635 2.017 1
1 220 . 1 1 1 A 37 37 CYS HA H 67 3.926 4.301 -0.375 1
1 223 . 1 1 1 A 37 37 CYS N N 67 125.082 119.782 5.300 1
1 224 . 1 1 1 A 38 38 GLY H H 68 9.023 8.414 0.609 1
1 225 . 1 1 1 A 38 38 GLY HA2 H 68 3.754 4.031 -0.277 1
1 226 . 1 1 1 A 38 38 GLY HA3 H 68 4.221 4.032 0.189 1
1 227 . 1 1 1 A 38 38 GLY N N 68 109.840 110.227 -0.387 1
1 228 . 1 1 1 A 39 39 ALA H H 69 8.537 8.082 0.455 1
1 229 . 1 1 1 A 39 39 ALA HA H 69 3.726 4.329 -0.603 1
1 233 . 1 1 1 A 39 39 ALA N N 69 121.278 124.707 -3.429 1
1 234 . 1 1 1 A 40 40 ALA H H 70 8.170 8.330 -0.160 1
1 235 . 1 1 1 A 40 40 ALA HA H 70 4.189 4.018 0.171 1
1 239 . 1 1 1 A 40 40 ALA N N 70 117.964 121.291 -3.327 1
1 240 . 1 1 1 A 41 41 CYS H H 71 6.933 8.088 -1.155 1
1 241 . 1 1 1 A 41 41 CYS HA H 71 3.880 4.613 -0.733 1
1 244 . 1 1 1 A 41 41 CYS N N 71 121.577 117.804 3.773 1
1 245 . 1 1 1 A 42 42 ASN H H 72 8.623 8.375 0.248 1
1 246 . 1 1 1 A 42 42 ASN HA H 72 4.885 4.796 0.089 1
1 251 . 1 1 1 A 42 42 ASN N N 72 128.800 125.055 3.745 1
1 252 . 1 1 1 A 43 43 CYS H H 73 8.668 7.280 1.388 1
1 253 . 1 1 1 A 43 43 CYS HA H 73 4.035 4.265 -0.230 1
1 256 . 1 1 1 A 43 43 CYS N N 73 126.110 119.759 6.351 1
1 257 . 1 1 1 A 44 44 ALA H H 74 9.196 8.936 0.260 1
1 258 . 1 1 1 A 44 44 ALA HA H 74 4.099 3.997 0.102 1
1 262 . 1 1 1 A 44 44 ALA N N 74 133.819 131.176 2.643 1
1 263 . 1 1 1 A 45 45 SER H H 75 8.371 8.034 0.337 1
1 264 . 1 1 1 A 45 45 SER HA H 75 4.314 4.212 0.102 1
1 267 . 1 1 1 A 45 45 SER N N 75 116.040 112.997 3.043 1
1 268 . 1 1 1 A 46 46 CYS H H 76 8.221 8.043 0.178 1
1 269 . 1 1 1 A 46 46 CYS HA H 76 4.135 4.493 -0.358 1
1 272 . 1 1 1 A 46 46 CYS N N 76 122.567 118.080 4.487 1
1 273 . 1 1 1 A 47 47 GLY H H 77 7.514 8.138 -0.624 1
1 274 . 1 1 1 A 47 47 GLY HA2 H 77 3.727 3.934 -0.207 1
1 275 . 1 1 1 A 47 47 GLY HA3 H 77 4.206 3.935 0.271 1
1 276 . 1 1 1 A 47 47 GLY N N 77 105.830 109.937 -4.107 1
1 277 . 1 1 1 A 48 48 SER H H 78 7.451 7.576 -0.125 1
1 278 . 1 1 1 A 48 48 SER HA H 78 4.322 4.327 -0.005 1
1 281 . 1 1 1 A 48 48 SER N N 78 114.464 113.763 0.701 1
1 282 . 1 1 1 A 49 49 ALA H H 79 8.245 8.324 -0.079 1
1 283 . 1 1 1 A 49 49 ALA HA H 79 4.197 4.687 -0.490 1
1 287 . 1 1 1 A 49 49 ALA N N 79 126.080 126.955 -0.875 1
1 288 . 1 1 1 A 50 50 THR H H 80 7.999 7.755 0.244 1
1 289 . 1 1 1 A 50 50 THR HA H 80 4.208 4.714 -0.506 1
1 294 . 1 1 1 A 50 50 THR N N 80 113.328 112.947 0.381 1
1 295 . 1 1 1 A 51 51 ALA H H 81 8.246 8.457 -0.211 1
1 296 . 1 1 1 A 51 51 ALA HA H 81 4.507 4.087 0.420 1
1 300 . 1 1 1 A 51 51 ALA N N 81 128.270 131.351 -3.081 1
1 301 . 1 1 1 A 52 52 PRO HA H 82 4.327 4.653 -0.326 1
1 5 . 2 1 1 A 2 2 GLU H H 32 8.239 8.348 -0.109 1
1 6 . 2 1 1 A 2 2 GLU HA H 32 4.219 3.939 0.280 1
1 11 . 2 1 1 A 2 2 GLU N N 32 120.194 118.635 1.559 1
1 12 . 2 1 1 A 3 3 HIS H H 33 8.495 7.917 0.578 1
1 13 . 2 1 1 A 3 3 HIS HA H 33 4.786 4.661 0.125 1
1 18 . 2 1 1 A 3 3 HIS N N 33 118.099 118.984 -0.885 1
1 19 . 2 1 1 A 4 4 THR H H 34 9.623 8.419 1.204 1
1 20 . 2 1 1 A 4 4 THR HA H 34 4.376 4.221 0.155 1
1 25 . 2 1 1 A 4 4 THR N N 34 123.055 117.021 6.034 1
1 26 . 2 1 1 A 5 5 THR H H 35 8.303 8.366 -0.063 1
1 27 . 2 1 1 A 5 5 THR HA H 35 4.567 4.903 -0.336 1
1 32 . 2 1 1 A 5 5 THR N N 35 112.573 116.994 -4.421 1
1 33 . 2 1 1 A 6 6 CYS H H 36 8.310 9.080 -0.770 1
1 34 . 2 1 1 A 6 6 CYS HA H 36 4.044 4.721 -0.677 1
1 37 . 2 1 1 A 6 6 CYS N N 36 119.577 122.085 -2.508 1
1 38 . 2 1 1 A 7 7 GLY H H 37 9.375 8.731 0.644 1
1 39 . 2 1 1 A 7 7 GLY HA2 H 37 3.892 3.810 0.082 1
1 40 . 2 1 1 A 7 7 GLY HA3 H 37 3.974 3.814 0.160 1
1 41 . 2 1 1 A 7 7 GLY N N 37 123.215 111.903 11.312 1
1 42 . 2 1 1 A 8 8 CYS H H 38 7.181 7.668 -0.487 1
1 43 . 2 1 1 A 8 8 CYS HA H 38 4.507 4.382 0.125 1
1 46 . 2 1 1 A 8 8 CYS N N 38 117.576 118.581 -1.005 1
1 47 . 2 1 1 A 9 9 GLY H H 39 8.218 8.794 -0.576 1
1 48 . 2 1 1 A 9 9 GLY HA2 H 39 4.453 3.995 0.458 1
1 49 . 2 1 1 A 9 9 GLY HA3 H 39 4.453 4.002 0.451 1
1 50 . 2 1 1 A 9 9 GLY N N 39 111.592 109.716 1.876 1
1 51 . 2 1 1 A 10 10 GLU H H 40 8.189 7.753 0.436 1
1 52 . 2 1 1 A 10 10 GLU HA H 40 4.453 4.985 -0.532 1
1 57 . 2 1 1 A 10 10 GLU N N 40 122.585 116.126 6.459 1
1 58 . 2 1 1 A 11 11 HIS H H 41 9.047 8.788 0.259 1
1 59 . 2 1 1 A 11 11 HIS HA H 41 4.348 4.655 -0.307 1
1 64 . 2 1 1 A 11 11 HIS N N 41 123.245 120.570 2.675 1
1 65 . 2 1 1 A 12 12 CYS H H 42 8.400 8.509 -0.109 1
1 66 . 2 1 1 A 12 12 CYS HA H 42 4.392 4.970 -0.578 1
1 69 . 2 1 1 A 12 12 CYS N N 42 125.049 123.703 1.346 1
1 70 . 2 1 1 A 13 13 GLY H H 43 8.437 8.722 -0.285 1
1 71 . 2 1 1 A 13 13 GLY HA2 H 43 3.724 3.875 -0.151 1
1 72 . 2 1 1 A 13 13 GLY HA3 H 43 3.827 3.883 -0.056 1
1 73 . 2 1 1 A 13 13 GLY N N 43 113.590 113.040 0.550 1
1 74 . 2 1 1 A 14 14 CYS H H 44 7.420 8.037 -0.617 1
1 75 . 2 1 1 A 14 14 CYS HA H 44 4.299 4.473 -0.174 1
1 78 . 2 1 1 A 14 14 CYS N N 44 118.586 115.800 2.786 1
1 79 . 2 1 1 A 15 15 ASN H H 45 7.169 7.673 -0.504 1
1 80 . 2 1 1 A 15 15 ASN HA H 45 4.826 5.172 -0.346 1
1 85 . 2 1 1 A 15 15 ASN N N 45 120.140 118.860 1.280 1
1 86 . 2 1 1 A 16 16 PRO HA H 46 4.103 4.584 -0.481 1
1 93 . 2 1 1 A 17 17 CYS H H 47 8.576 8.250 0.326 1
1 94 . 2 1 1 A 17 17 CYS HA H 47 4.428 4.875 -0.447 1
1 97 . 2 1 1 A 17 17 CYS N N 47 124.271 118.209 6.062 1
1 98 . 2 1 1 A 18 18 ALA H H 48 8.960 8.620 0.340 1
1 99 . 2 1 1 A 18 18 ALA HA H 48 4.157 4.001 0.156 1
1 103 . 2 1 1 A 18 18 ALA N N 48 133.579 122.900 10.679 1
1 104 . 2 1 1 A 19 19 CYS H H 49 9.093 7.919 1.174 1
1 105 . 2 1 1 A 19 19 CYS HA H 49 4.413 4.737 -0.324 1
1 108 . 2 1 1 A 19 19 CYS N N 49 119.595 114.698 4.897 1
1 109 . 2 1 1 A 20 20 GLY H H 50 7.744 8.327 -0.583 1
1 110 . 2 1 1 A 20 20 GLY HA2 H 50 4.099 3.935 0.164 1
1 111 . 2 1 1 A 20 20 GLY HA3 H 50 3.748 3.952 -0.204 1
1 112 . 2 1 1 A 20 20 GLY N N 50 110.042 111.305 -1.263 1
1 113 . 2 1 1 A 21 21 ARG H H 51 8.368 7.821 0.547 1
1 114 . 2 1 1 A 21 21 ARG HA H 51 4.072 4.767 -0.695 1
1 121 . 2 1 1 A 21 21 ARG N N 51 123.936 120.443 3.493 1
1 122 . 2 1 1 A 22 22 GLU H H 52 8.479 8.511 -0.032 1
1 123 . 2 1 1 A 22 22 GLU HA H 52 4.270 4.727 -0.457 1
1 128 . 2 1 1 A 22 22 GLU N N 52 125.329 123.603 1.726 1
1 129 . 2 1 1 A 23 23 GLY H H 53 8.279 8.029 0.250 1
1 130 . 2 1 1 A 23 23 GLY HA2 H 53 4.082 4.064 0.018 1
1 131 . 2 1 1 A 23 23 GLY HA3 H 53 3.834 4.084 -0.250 1
1 132 . 2 1 1 A 23 23 GLY N N 53 109.702 110.641 -0.939 1
1 133 . 2 1 1 A 24 24 THR H H 54 8.436 8.318 0.118 1
1 134 . 2 1 1 A 24 24 THR HA H 54 4.500 4.811 -0.311 1
1 139 . 2 1 1 A 24 24 THR N N 54 118.091 116.578 1.513 1
1 140 . 2 1 1 A 25 25 PRO HA H 55 3.884 4.721 -0.837 1
1 147 . 2 1 1 A 26 26 SER H H 56 8.916 8.571 0.345 1
1 148 . 2 1 1 A 26 26 SER HA H 56 4.182 4.689 -0.507 1
1 151 . 2 1 1 A 26 26 SER N N 56 119.151 116.549 2.602 1
1 152 . 2 1 1 A 27 27 GLY H H 57 8.936 9.012 -0.076 1
1 153 . 2 1 1 A 27 27 GLY HA2 H 57 3.705 3.910 -0.205 1
1 154 . 2 1 1 A 27 27 GLY HA3 H 57 3.875 3.910 -0.035 1
1 155 . 2 1 1 A 27 27 GLY N N 57 111.837 115.433 -3.596 1
1 156 . 2 1 1 A 28 28 ARG H H 58 7.970 8.380 -0.410 1
1 157 . 2 1 1 A 28 28 ARG HA H 58 4.024 4.551 -0.527 1
1 164 . 2 1 1 A 28 28 ARG N N 58 120.058 122.369 -2.311 1
1 165 . 2 1 1 A 29 29 ALA H H 59 8.507 7.560 0.947 1
1 166 . 2 1 1 A 29 29 ALA HA H 59 4.073 4.523 -0.450 1
1 170 . 2 1 1 A 29 29 ALA N N 59 125.094 119.512 5.582 1
1 171 . 2 1 1 A 30 30 ASN H H 60 8.497 8.697 -0.200 1
1 172 . 2 1 1 A 30 30 ASN HA H 60 4.372 4.740 -0.368 1
1 177 . 2 1 1 A 30 30 ASN N N 60 113.096 115.082 -1.986 1
1 178 . 2 1 1 A 31 31 ARG H H 61 7.205 7.467 -0.262 1
1 179 . 2 1 1 A 31 31 ARG HA H 61 4.885 4.421 0.464 1
1 186 . 2 1 1 A 31 31 ARG N N 61 116.323 119.210 -2.887 1
1 187 . 2 1 1 A 32 32 ARG H H 62 8.215 8.884 -0.669 1
1 188 . 2 1 1 A 32 32 ARG HA H 62 3.983 4.459 -0.476 1
1 195 . 2 1 1 A 32 32 ARG N N 62 121.556 122.454 -0.898 1
1 196 . 2 1 1 A 33 33 ALA H H 63 8.569 8.072 0.497 1
1 197 . 2 1 1 A 33 33 ALA HA H 63 3.979 4.069 -0.090 1
1 201 . 2 1 1 A 33 33 ALA N N 63 125.837 120.020 5.817 1
1 202 . 2 1 1 A 34 34 ASN H H 64 7.992 8.261 -0.269 1
1 203 . 2 1 1 A 34 34 ASN HA H 64 4.455 5.154 -0.699 1
1 208 . 2 1 1 A 34 34 ASN N N 64 112.193 112.881 -0.688 1
1 209 . 2 1 1 A 35 35 CYS H H 65 7.716 7.649 0.067 1
1 210 . 2 1 1 A 35 35 CYS HA H 65 4.579 4.637 -0.058 1
1 213 . 2 1 1 A 35 35 CYS N N 65 122.640 121.172 1.468 1
1 214 . 2 1 1 A 36 36 SER H H 66 9.392 8.857 0.535 1
1 215 . 2 1 1 A 36 36 SER HA H 66 4.764 4.498 0.266 1
1 218 . 2 1 1 A 36 36 SER N N 66 129.091 121.768 7.323 1
1 219 . 2 1 1 A 37 37 CYS H H 67 9.652 7.699 1.953 1
1 220 . 2 1 1 A 37 37 CYS HA H 67 3.926 4.609 -0.683 1
1 223 . 2 1 1 A 37 37 CYS N N 67 125.082 122.111 2.971 1
1 224 . 2 1 1 A 38 38 GLY H H 68 9.023 8.286 0.737 1
1 225 . 2 1 1 A 38 38 GLY HA2 H 68 3.754 4.311 -0.557 1
1 226 . 2 1 1 A 38 38 GLY HA3 H 68 4.221 4.312 -0.091 1
1 227 . 2 1 1 A 38 38 GLY N N 68 109.840 108.501 1.339 1
1 228 . 2 1 1 A 39 39 ALA H H 69 8.537 8.795 -0.258 1
1 229 . 2 1 1 A 39 39 ALA HA H 69 3.726 4.074 -0.348 1
1 233 . 2 1 1 A 39 39 ALA N N 69 121.278 121.866 -0.588 1
1 234 . 2 1 1 A 40 40 ALA H H 70 8.170 7.702 0.468 1
1 235 . 2 1 1 A 40 40 ALA HA H 70 4.189 4.385 -0.196 1
1 239 . 2 1 1 A 40 40 ALA N N 70 117.964 118.194 -0.230 1
1 240 . 2 1 1 A 41 41 CYS H H 71 6.933 7.620 -0.687 1
1 241 . 2 1 1 A 41 41 CYS HA H 71 3.880 4.718 -0.838 1
1 244 . 2 1 1 A 41 41 CYS N N 71 121.577 120.479 1.098 1
1 245 . 2 1 1 A 42 42 ASN H H 72 8.623 8.639 -0.016 1
1 246 . 2 1 1 A 42 42 ASN HA H 72 4.885 4.920 -0.035 1
1 251 . 2 1 1 A 42 42 ASN N N 72 128.800 122.732 6.068 1
1 252 . 2 1 1 A 43 43 CYS H H 73 8.668 7.408 1.260 1
1 253 . 2 1 1 A 43 43 CYS HA H 73 4.035 4.222 -0.187 1
1 256 . 2 1 1 A 43 43 CYS N N 73 126.110 119.593 6.517 1
1 257 . 2 1 1 A 44 44 ALA H H 74 9.196 8.950 0.246 1
1 258 . 2 1 1 A 44 44 ALA HA H 74 4.099 4.006 0.093 1
1 262 . 2 1 1 A 44 44 ALA N N 74 133.819 131.233 2.586 1
1 263 . 2 1 1 A 45 45 SER H H 75 8.371 8.300 0.071 1
1 264 . 2 1 1 A 45 45 SER HA H 75 4.314 4.110 0.204 1
1 267 . 2 1 1 A 45 45 SER N N 75 116.040 112.231 3.809 1
1 268 . 2 1 1 A 46 46 CYS H H 76 8.221 8.123 0.098 1
1 269 . 2 1 1 A 46 46 CYS HA H 76 4.135 4.483 -0.348 1
1 272 . 2 1 1 A 46 46 CYS N N 76 122.567 118.406 4.161 1
1 273 . 2 1 1 A 47 47 GLY H H 77 7.514 8.351 -0.837 1
1 274 . 2 1 1 A 47 47 GLY HA2 H 77 3.727 3.721 0.006 1
1 275 . 2 1 1 A 47 47 GLY HA3 H 77 4.206 3.722 0.484 1
1 276 . 2 1 1 A 47 47 GLY N N 77 105.830 110.161 -4.331 1
1 277 . 2 1 1 A 48 48 SER H H 78 7.451 7.475 -0.024 1
1 278 . 2 1 1 A 48 48 SER HA H 78 4.322 4.301 0.021 1
1 281 . 2 1 1 A 48 48 SER N N 78 114.464 117.595 -3.131 1
1 282 . 2 1 1 A 49 49 ALA H H 79 8.245 7.837 0.408 1
1 283 . 2 1 1 A 49 49 ALA HA H 79 4.197 4.271 -0.074 1
1 287 . 2 1 1 A 49 49 ALA N N 79 126.080 120.762 5.318 1
1 288 . 2 1 1 A 50 50 THR H H 80 7.999 7.951 0.048 1
1 289 . 2 1 1 A 50 50 THR HA H 80 4.208 4.366 -0.158 1
1 294 . 2 1 1 A 50 50 THR N N 80 113.328 110.005 3.323 1
1 295 . 2 1 1 A 51 51 ALA H H 81 8.246 7.944 0.302 1
1 296 . 2 1 1 A 51 51 ALA HA H 81 4.507 4.054 0.453 1
1 300 . 2 1 1 A 51 51 ALA N N 81 128.270 120.180 8.090 1
1 301 . 2 1 1 A 52 52 PRO HA H 82 4.327 4.356 -0.029 1
1 5 . 3 1 1 A 2 2 GLU H H 32 8.239 8.270 -0.031 1
1 6 . 3 1 1 A 2 2 GLU HA H 32 4.219 4.519 -0.300 1
1 11 . 3 1 1 A 2 2 GLU N N 32 120.194 119.556 0.638 1
1 12 . 3 1 1 A 3 3 HIS H H 33 8.495 8.814 -0.319 1
1 13 . 3 1 1 A 3 3 HIS HA H 33 4.786 5.063 -0.277 1
1 18 . 3 1 1 A 3 3 HIS N N 33 118.099 118.877 -0.778 1
1 19 . 3 1 1 A 4 4 THR H H 34 9.623 8.456 1.167 1
1 20 . 3 1 1 A 4 4 THR HA H 34 4.376 4.285 0.091 1
1 25 . 3 1 1 A 4 4 THR N N 34 123.055 116.004 7.051 1
1 26 . 3 1 1 A 5 5 THR H H 35 8.303 8.434 -0.131 1
1 27 . 3 1 1 A 5 5 THR HA H 35 4.567 4.857 -0.290 1
1 32 . 3 1 1 A 5 5 THR N N 35 112.573 117.239 -4.666 1
1 33 . 3 1 1 A 6 6 CYS H H 36 8.310 8.513 -0.203 1
1 34 . 3 1 1 A 6 6 CYS HA H 36 4.044 4.693 -0.649 1
1 37 . 3 1 1 A 6 6 CYS N N 36 119.577 122.322 -2.745 1
1 38 . 3 1 1 A 7 7 GLY H H 37 9.375 8.802 0.573 1
1 39 . 3 1 1 A 7 7 GLY HA2 H 37 3.892 3.810 0.082 1
1 40 . 3 1 1 A 7 7 GLY HA3 H 37 3.974 3.814 0.160 1
1 41 . 3 1 1 A 7 7 GLY N N 37 123.215 113.024 10.191 1
1 42 . 3 1 1 A 8 8 CYS H H 38 7.181 7.676 -0.495 1
1 43 . 3 1 1 A 8 8 CYS HA H 38 4.507 4.382 0.125 1
1 46 . 3 1 1 A 8 8 CYS N N 38 117.576 118.204 -0.628 1
1 47 . 3 1 1 A 9 9 GLY H H 39 8.218 9.588 -1.370 1
1 48 . 3 1 1 A 9 9 GLY HA2 H 39 4.453 3.923 0.530 1
1 49 . 3 1 1 A 9 9 GLY HA3 H 39 4.453 3.929 0.524 1
1 50 . 3 1 1 A 9 9 GLY N N 39 111.592 111.144 0.448 1
1 51 . 3 1 1 A 10 10 GLU H H 40 8.189 7.474 0.715 1
1 52 . 3 1 1 A 10 10 GLU HA H 40 4.453 4.658 -0.205 1
1 57 . 3 1 1 A 10 10 GLU N N 40 122.585 118.259 4.326 1
1 58 . 3 1 1 A 11 11 HIS H H 41 9.047 8.713 0.334 1
1 59 . 3 1 1 A 11 11 HIS HA H 41 4.348 4.516 -0.168 1
1 64 . 3 1 1 A 11 11 HIS N N 41 123.245 124.779 -1.534 1
1 65 . 3 1 1 A 12 12 CYS H H 42 8.400 8.633 -0.233 1
1 66 . 3 1 1 A 12 12 CYS HA H 42 4.392 4.948 -0.556 1
1 69 . 3 1 1 A 12 12 CYS N N 42 125.049 121.474 3.575 1
1 70 . 3 1 1 A 13 13 GLY H H 43 8.437 8.754 -0.317 1
1 71 . 3 1 1 A 13 13 GLY HA2 H 43 3.724 3.848 -0.124 1
1 72 . 3 1 1 A 13 13 GLY HA3 H 43 3.827 3.855 -0.028 1
1 73 . 3 1 1 A 13 13 GLY N N 43 113.590 113.037 0.553 1
1 74 . 3 1 1 A 14 14 CYS H H 44 7.420 7.980 -0.560 1
1 75 . 3 1 1 A 14 14 CYS HA H 44 4.299 4.335 -0.036 1
1 78 . 3 1 1 A 14 14 CYS N N 44 118.586 116.435 2.151 1
1 79 . 3 1 1 A 15 15 ASN H H 45 7.169 7.810 -0.641 1
1 80 . 3 1 1 A 15 15 ASN HA H 45 4.826 5.166 -0.340 1
1 85 . 3 1 1 A 15 15 ASN N N 45 120.140 119.038 1.102 1
1 86 . 3 1 1 A 16 16 PRO HA H 46 4.103 4.612 -0.509 1
1 93 . 3 1 1 A 17 17 CYS H H 47 8.576 8.249 0.327 1
1 94 . 3 1 1 A 17 17 CYS HA H 47 4.428 4.784 -0.356 1
1 97 . 3 1 1 A 17 17 CYS N N 47 124.271 117.911 6.360 1
1 98 . 3 1 1 A 18 18 ALA H H 48 8.960 8.525 0.435 1
1 99 . 3 1 1 A 18 18 ALA HA H 48 4.157 4.103 0.054 1
1 103 . 3 1 1 A 18 18 ALA N N 48 133.579 122.867 10.712 1
1 104 . 3 1 1 A 19 19 CYS H H 49 9.093 8.029 1.064 1
1 105 . 3 1 1 A 19 19 CYS HA H 49 4.413 4.717 -0.304 1
1 108 . 3 1 1 A 19 19 CYS N N 49 119.595 114.671 4.924 1
1 109 . 3 1 1 A 20 20 GLY H H 50 7.744 8.404 -0.660 1
1 110 . 3 1 1 A 20 20 GLY HA2 H 50 4.099 3.979 0.120 1
1 111 . 3 1 1 A 20 20 GLY HA3 H 50 3.748 3.988 -0.240 1
1 112 . 3 1 1 A 20 20 GLY N N 50 110.042 110.880 -0.838 1
1 113 . 3 1 1 A 21 21 ARG H H 51 8.368 7.502 0.866 1
1 114 . 3 1 1 A 21 21 ARG HA H 51 4.072 4.334 -0.262 1
1 121 . 3 1 1 A 21 21 ARG N N 51 123.936 122.130 1.806 1
1 122 . 3 1 1 A 22 22 GLU H H 52 8.479 8.983 -0.504 1
1 123 . 3 1 1 A 22 22 GLU HA H 52 4.270 4.763 -0.493 1
1 128 . 3 1 1 A 22 22 GLU N N 52 125.329 123.434 1.895 1
1 129 . 3 1 1 A 23 23 GLY H H 53 8.279 8.012 0.267 1
1 130 . 3 1 1 A 23 23 GLY HA2 H 53 4.082 4.100 -0.018 1
1 131 . 3 1 1 A 23 23 GLY HA3 H 53 3.834 4.120 -0.286 1
1 132 . 3 1 1 A 23 23 GLY N N 53 109.702 110.083 -0.381 1
1 133 . 3 1 1 A 24 24 THR H H 54 8.436 8.468 -0.032 1
1 134 . 3 1 1 A 24 24 THR HA H 54 4.500 4.601 -0.101 1
1 139 . 3 1 1 A 24 24 THR N N 54 118.091 115.609 2.482 1
1 140 . 3 1 1 A 25 25 PRO HA H 55 3.884 4.686 -0.802 1
1 147 . 3 1 1 A 26 26 SER H H 56 8.916 8.710 0.206 1
1 148 . 3 1 1 A 26 26 SER HA H 56 4.182 4.292 -0.110 1
1 151 . 3 1 1 A 26 26 SER N N 56 119.151 116.340 2.811 1
1 152 . 3 1 1 A 27 27 GLY H H 57 8.936 8.197 0.739 1
1 153 . 3 1 1 A 27 27 GLY HA2 H 57 3.705 3.923 -0.218 1
1 154 . 3 1 1 A 27 27 GLY HA3 H 57 3.875 3.923 -0.048 1
1 155 . 3 1 1 A 27 27 GLY N N 57 111.837 110.490 1.347 1
1 156 . 3 1 1 A 28 28 ARG H H 58 7.970 8.432 -0.462 1
1 157 . 3 1 1 A 28 28 ARG HA H 58 4.024 4.420 -0.396 1
1 164 . 3 1 1 A 28 28 ARG N N 58 120.058 123.741 -3.683 1
1 165 . 3 1 1 A 29 29 ALA H H 59 8.507 8.094 0.413 1
1 166 . 3 1 1 A 29 29 ALA HA H 59 4.073 4.548 -0.475 1
1 170 . 3 1 1 A 29 29 ALA N N 59 125.094 124.701 0.393 1
1 171 . 3 1 1 A 30 30 ASN H H 60 8.497 8.928 -0.431 1
1 172 . 3 1 1 A 30 30 ASN HA H 60 4.372 4.608 -0.236 1
1 177 . 3 1 1 A 30 30 ASN N N 60 113.096 118.076 -4.980 1
1 178 . 3 1 1 A 31 31 ARG H H 61 7.205 7.721 -0.516 1
1 179 . 3 1 1 A 31 31 ARG HA H 61 4.885 4.527 0.358 1
1 186 . 3 1 1 A 31 31 ARG N N 61 116.323 120.224 -3.901 1
1 187 . 3 1 1 A 32 32 ARG H H 62 8.215 8.792 -0.577 1
1 188 . 3 1 1 A 32 32 ARG HA H 62 3.983 4.401 -0.418 1
1 195 . 3 1 1 A 32 32 ARG N N 62 121.556 123.055 -1.499 1
1 196 . 3 1 1 A 33 33 ALA H H 63 8.569 8.006 0.563 1
1 197 . 3 1 1 A 33 33 ALA HA H 63 3.979 4.112 -0.133 1
1 201 . 3 1 1 A 33 33 ALA N N 63 125.837 120.102 5.735 1
1 202 . 3 1 1 A 34 34 ASN H H 64 7.992 8.251 -0.259 1
1 203 . 3 1 1 A 34 34 ASN HA H 64 4.455 4.983 -0.528 1
1 208 . 3 1 1 A 34 34 ASN N N 64 112.193 113.363 -1.170 1
1 209 . 3 1 1 A 35 35 CYS H H 65 7.716 7.643 0.073 1
1 210 . 3 1 1 A 35 35 CYS HA H 65 4.579 4.795 -0.216 1
1 213 . 3 1 1 A 35 35 CYS N N 65 122.640 121.432 1.208 1
1 214 . 3 1 1 A 36 36 SER H H 66 9.392 8.783 0.609 1
1 215 . 3 1 1 A 36 36 SER HA H 66 4.764 4.541 0.223 1
1 218 . 3 1 1 A 36 36 SER N N 66 129.091 121.499 7.592 1
1 219 . 3 1 1 A 37 37 CYS H H 67 9.652 7.556 2.096 1
1 220 . 3 1 1 A 37 37 CYS HA H 67 3.926 4.670 -0.744 1
1 223 . 3 1 1 A 37 37 CYS N N 67 125.082 120.207 4.875 1
1 224 . 3 1 1 A 38 38 GLY H H 68 9.023 8.492 0.531 1
1 225 . 3 1 1 A 38 38 GLY HA2 H 68 3.754 4.016 -0.262 1
1 226 . 3 1 1 A 38 38 GLY HA3 H 68 4.221 4.016 0.205 1
1 227 . 3 1 1 A 38 38 GLY N N 68 109.840 111.303 -1.463 1
1 228 . 3 1 1 A 39 39 ALA H H 69 8.537 8.209 0.328 1
1 229 . 3 1 1 A 39 39 ALA HA H 69 3.726 4.084 -0.358 1
1 233 . 3 1 1 A 39 39 ALA N N 69 121.278 124.790 -3.512 1
1 234 . 3 1 1 A 40 40 ALA H H 70 8.170 8.589 -0.419 1
1 235 . 3 1 1 A 40 40 ALA HA H 70 4.189 3.797 0.392 1
1 239 . 3 1 1 A 40 40 ALA N N 70 117.964 116.729 1.235 1
1 240 . 3 1 1 A 41 41 CYS H H 71 6.933 7.806 -0.873 1
1 241 . 3 1 1 A 41 41 CYS HA H 71 3.880 4.424 -0.544 1
1 244 . 3 1 1 A 41 41 CYS N N 71 121.577 116.051 5.526 1
1 245 . 3 1 1 A 42 42 ASN H H 72 8.623 8.757 -0.134 1
1 246 . 3 1 1 A 42 42 ASN HA H 72 4.885 4.876 0.009 1
1 251 . 3 1 1 A 42 42 ASN N N 72 128.800 122.251 6.549 1
1 252 . 3 1 1 A 43 43 CYS H H 73 8.668 6.810 1.858 1
1 253 . 3 1 1 A 43 43 CYS HA H 73 4.035 4.255 -0.220 1
1 256 . 3 1 1 A 43 43 CYS N N 73 126.110 120.044 6.066 1
1 257 . 3 1 1 A 44 44 ALA H H 74 9.196 8.972 0.224 1
1 258 . 3 1 1 A 44 44 ALA HA H 74 4.099 3.932 0.167 1
1 262 . 3 1 1 A 44 44 ALA N N 74 133.819 131.290 2.529 1
1 263 . 3 1 1 A 45 45 SER H H 75 8.371 8.088 0.283 1
1 264 . 3 1 1 A 45 45 SER HA H 75 4.314 4.237 0.077 1
1 267 . 3 1 1 A 45 45 SER N N 75 116.040 113.021 3.019 1
1 268 . 3 1 1 A 46 46 CYS H H 76 8.221 8.364 -0.143 1
1 269 . 3 1 1 A 46 46 CYS HA H 76 4.135 4.648 -0.513 1
1 272 . 3 1 1 A 46 46 CYS N N 76 122.567 117.386 5.181 1
1 273 . 3 1 1 A 47 47 GLY H H 77 7.514 7.858 -0.344 1
1 274 . 3 1 1 A 47 47 GLY HA2 H 77 3.727 4.121 -0.394 1
1 275 . 3 1 1 A 47 47 GLY HA3 H 77 4.206 4.122 0.084 1
1 276 . 3 1 1 A 47 47 GLY N N 77 105.830 108.427 -2.597 1
1 277 . 3 1 1 A 48 48 SER H H 78 7.451 7.988 -0.537 1
1 278 . 3 1 1 A 48 48 SER HA H 78 4.322 4.296 0.026 1
1 281 . 3 1 1 A 48 48 SER N N 78 114.464 115.072 -0.608 1
1 282 . 3 1 1 A 49 49 ALA H H 79 8.245 7.525 0.720 1
1 283 . 3 1 1 A 49 49 ALA HA H 79 4.197 4.308 -0.111 1
1 287 . 3 1 1 A 49 49 ALA N N 79 126.080 123.330 2.750 1
1 288 . 3 1 1 A 50 50 THR H H 80 7.999 8.765 -0.766 1
1 289 . 3 1 1 A 50 50 THR HA H 80 4.208 4.067 0.141 1
1 294 . 3 1 1 A 50 50 THR N N 80 113.328 115.395 -2.067 1
1 295 . 3 1 1 A 51 51 ALA H H 81 8.246 7.683 0.563 1
1 296 . 3 1 1 A 51 51 ALA HA H 81 4.507 4.364 0.143 1
1 300 . 3 1 1 A 51 51 ALA N N 81 128.270 125.077 3.193 1
1 301 . 3 1 1 A 52 52 PRO HA H 82 4.327 4.801 -0.474 1
1 5 . 4 1 1 A 2 2 GLU H H 32 8.239 8.082 0.157 1
1 6 . 4 1 1 A 2 2 GLU HA H 32 4.219 4.370 -0.151 1
1 11 . 4 1 1 A 2 2 GLU N N 32 120.194 122.012 -1.818 1
1 12 . 4 1 1 A 3 3 HIS H H 33 8.495 8.972 -0.477 1
1 13 . 4 1 1 A 3 3 HIS HA H 33 4.786 5.108 -0.322 1
1 18 . 4 1 1 A 3 3 HIS N N 33 118.099 124.743 -6.644 1
1 19 . 4 1 1 A 4 4 THR H H 34 9.623 8.555 1.068 1
1 20 . 4 1 1 A 4 4 THR HA H 34 4.376 4.327 0.049 1
1 25 . 4 1 1 A 4 4 THR N N 34 123.055 116.678 6.377 1
1 26 . 4 1 1 A 5 5 THR H H 35 8.303 8.473 -0.170 1
1 27 . 4 1 1 A 5 5 THR HA H 35 4.567 4.897 -0.330 1
1 32 . 4 1 1 A 5 5 THR N N 35 112.573 117.047 -4.474 1
1 33 . 4 1 1 A 6 6 CYS H H 36 8.310 8.556 -0.246 1
1 34 . 4 1 1 A 6 6 CYS HA H 36 4.044 4.697 -0.653 1
1 37 . 4 1 1 A 6 6 CYS N N 36 119.577 122.271 -2.694 1
1 38 . 4 1 1 A 7 7 GLY H H 37 9.375 8.778 0.597 1
1 39 . 4 1 1 A 7 7 GLY HA2 H 37 3.892 3.821 0.071 1
1 40 . 4 1 1 A 7 7 GLY HA3 H 37 3.974 3.825 0.149 1
1 41 . 4 1 1 A 7 7 GLY N N 37 123.215 112.554 10.661 1
1 42 . 4 1 1 A 8 8 CYS H H 38 7.181 7.610 -0.429 1
1 43 . 4 1 1 A 8 8 CYS HA H 38 4.507 4.451 0.056 1
1 46 . 4 1 1 A 8 8 CYS N N 38 117.576 116.743 0.833 1
1 47 . 4 1 1 A 9 9 GLY H H 39 8.218 8.689 -0.471 1
1 48 . 4 1 1 A 9 9 GLY HA2 H 39 4.453 3.954 0.499 1
1 49 . 4 1 1 A 9 9 GLY HA3 H 39 4.453 3.962 0.491 1
1 50 . 4 1 1 A 9 9 GLY N N 39 111.592 111.257 0.335 1
1 51 . 4 1 1 A 10 10 GLU H H 40 8.189 7.528 0.661 1
1 52 . 4 1 1 A 10 10 GLU HA H 40 4.453 4.677 -0.224 1
1 57 . 4 1 1 A 10 10 GLU N N 40 122.585 118.447 4.138 1
1 58 . 4 1 1 A 11 11 HIS H H 41 9.047 8.596 0.451 1
1 59 . 4 1 1 A 11 11 HIS HA H 41 4.348 4.573 -0.225 1
1 64 . 4 1 1 A 11 11 HIS N N 41 123.245 124.497 -1.252 1
1 65 . 4 1 1 A 12 12 CYS H H 42 8.400 8.695 -0.295 1
1 66 . 4 1 1 A 12 12 CYS HA H 42 4.392 4.775 -0.383 1
1 69 . 4 1 1 A 12 12 CYS N N 42 125.049 121.294 3.755 1
1 70 . 4 1 1 A 13 13 GLY H H 43 8.437 8.724 -0.287 1
1 71 . 4 1 1 A 13 13 GLY HA2 H 43 3.724 3.856 -0.132 1
1 72 . 4 1 1 A 13 13 GLY HA3 H 43 3.827 3.865 -0.038 1
1 73 . 4 1 1 A 13 13 GLY N N 43 113.590 113.212 0.378 1
1 74 . 4 1 1 A 14 14 CYS H H 44 7.420 8.114 -0.694 1
1 75 . 4 1 1 A 14 14 CYS HA H 44 4.299 4.283 0.016 1
1 78 . 4 1 1 A 14 14 CYS N N 44 118.586 117.153 1.433 1
1 79 . 4 1 1 A 15 15 ASN H H 45 7.169 7.713 -0.544 1
1 80 . 4 1 1 A 15 15 ASN HA H 45 4.826 5.167 -0.341 1
1 85 . 4 1 1 A 15 15 ASN N N 45 120.140 118.633 1.507 1
1 86 . 4 1 1 A 16 16 PRO HA H 46 4.103 4.677 -0.574 1
1 93 . 4 1 1 A 17 17 CYS H H 47 8.576 8.309 0.267 1
1 94 . 4 1 1 A 17 17 CYS HA H 47 4.428 4.793 -0.365 1
1 97 . 4 1 1 A 17 17 CYS N N 47 124.271 117.891 6.380 1
1 98 . 4 1 1 A 18 18 ALA H H 48 8.960 8.710 0.250 1
1 99 . 4 1 1 A 18 18 ALA HA H 48 4.157 4.015 0.142 1
1 103 . 4 1 1 A 18 18 ALA N N 48 133.579 123.261 10.318 1
1 104 . 4 1 1 A 19 19 CYS H H 49 9.093 8.120 0.973 1
1 105 . 4 1 1 A 19 19 CYS HA H 49 4.413 4.613 -0.200 1
1 108 . 4 1 1 A 19 19 CYS N N 49 119.595 113.828 5.767 1
1 109 . 4 1 1 A 20 20 GLY H H 50 7.744 8.411 -0.667 1
1 110 . 4 1 1 A 20 20 GLY HA2 H 50 4.099 3.934 0.165 1
1 111 . 4 1 1 A 20 20 GLY HA3 H 50 3.748 3.950 -0.202 1
1 112 . 4 1 1 A 20 20 GLY N N 50 110.042 111.323 -1.281 1
1 113 . 4 1 1 A 21 21 ARG H H 51 8.368 7.808 0.560 1
1 114 . 4 1 1 A 21 21 ARG HA H 51 4.072 4.747 -0.675 1
1 121 . 4 1 1 A 21 21 ARG N N 51 123.936 120.716 3.220 1
1 122 . 4 1 1 A 22 22 GLU H H 52 8.479 8.565 -0.086 1
1 123 . 4 1 1 A 22 22 GLU HA H 52 4.270 4.777 -0.507 1
1 128 . 4 1 1 A 22 22 GLU N N 52 125.329 123.092 2.237 1
1 129 . 4 1 1 A 23 23 GLY H H 53 8.279 8.009 0.270 1
1 130 . 4 1 1 A 23 23 GLY HA2 H 53 4.082 4.113 -0.031 1
1 131 . 4 1 1 A 23 23 GLY HA3 H 53 3.834 4.123 -0.289 1
1 132 . 4 1 1 A 23 23 GLY N N 53 109.702 109.872 -0.170 1
1 133 . 4 1 1 A 24 24 THR H H 54 8.436 8.581 -0.145 1
1 134 . 4 1 1 A 24 24 THR HA H 54 4.500 4.187 0.313 1
1 139 . 4 1 1 A 24 24 THR N N 54 118.091 115.995 2.096 1
1 140 . 4 1 1 A 25 25 PRO HA H 55 3.884 4.549 -0.665 1
1 147 . 4 1 1 A 26 26 SER H H 56 8.916 8.810 0.106 1
1 148 . 4 1 1 A 26 26 SER HA H 56 4.182 4.191 -0.009 1
1 151 . 4 1 1 A 26 26 SER N N 56 119.151 119.248 -0.097 1
1 152 . 4 1 1 A 27 27 GLY H H 57 8.936 8.006 0.930 1
1 153 . 4 1 1 A 27 27 GLY HA2 H 57 3.705 3.925 -0.220 1
1 154 . 4 1 1 A 27 27 GLY HA3 H 57 3.875 3.925 -0.050 1
1 155 . 4 1 1 A 27 27 GLY N N 57 111.837 110.268 1.569 1
1 156 . 4 1 1 A 28 28 ARG H H 58 7.970 8.239 -0.269 1
1 157 . 4 1 1 A 28 28 ARG HA H 58 4.024 4.250 -0.226 1
1 164 . 4 1 1 A 28 28 ARG N N 58 120.058 117.981 2.077 1
1 165 . 4 1 1 A 29 29 ALA H H 59 8.507 7.522 0.985 1
1 166 . 4 1 1 A 29 29 ALA HA H 59 4.073 4.650 -0.577 1
1 170 . 4 1 1 A 29 29 ALA N N 59 125.094 121.111 3.983 1
1 171 . 4 1 1 A 30 30 ASN H H 60 8.497 8.763 -0.266 1
1 172 . 4 1 1 A 30 30 ASN HA H 60 4.372 4.780 -0.408 1
1 177 . 4 1 1 A 30 30 ASN N N 60 113.096 119.235 -6.139 1
1 178 . 4 1 1 A 31 31 ARG H H 61 7.205 8.173 -0.968 1
1 179 . 4 1 1 A 31 31 ARG HA H 61 4.885 4.699 0.186 1
1 186 . 4 1 1 A 31 31 ARG N N 61 116.323 121.465 -5.142 1
1 187 . 4 1 1 A 32 32 ARG H H 62 8.215 9.036 -0.821 1
1 188 . 4 1 1 A 32 32 ARG HA H 62 3.983 4.232 -0.249 1
1 195 . 4 1 1 A 32 32 ARG N N 62 121.556 123.725 -2.169 1
1 196 . 4 1 1 A 33 33 ALA H H 63 8.569 8.007 0.562 1
1 197 . 4 1 1 A 33 33 ALA HA H 63 3.979 4.085 -0.106 1
1 201 . 4 1 1 A 33 33 ALA N N 63 125.837 119.867 5.970 1
1 202 . 4 1 1 A 34 34 ASN H H 64 7.992 8.280 -0.288 1
1 203 . 4 1 1 A 34 34 ASN HA H 64 4.455 4.968 -0.513 1
1 208 . 4 1 1 A 34 34 ASN N N 64 112.193 112.853 -0.660 1
1 209 . 4 1 1 A 35 35 CYS H H 65 7.716 7.808 -0.092 1
1 210 . 4 1 1 A 35 35 CYS HA H 65 4.579 4.627 -0.048 1
1 213 . 4 1 1 A 35 35 CYS N N 65 122.640 121.750 0.890 1
1 214 . 4 1 1 A 36 36 SER H H 66 9.392 8.652 0.740 1
1 215 . 4 1 1 A 36 36 SER HA H 66 4.764 4.372 0.392 1
1 218 . 4 1 1 A 36 36 SER N N 66 129.091 120.414 8.677 1
1 219 . 4 1 1 A 37 37 CYS H H 67 9.652 7.527 2.125 1
1 220 . 4 1 1 A 37 37 CYS HA H 67 3.926 4.717 -0.791 1
1 223 . 4 1 1 A 37 37 CYS N N 67 125.082 120.030 5.052 1
1 224 . 4 1 1 A 38 38 GLY H H 68 9.023 8.560 0.463 1
1 225 . 4 1 1 A 38 38 GLY HA2 H 68 3.754 4.089 -0.335 1
1 226 . 4 1 1 A 38 38 GLY HA3 H 68 4.221 4.089 0.132 1
1 227 . 4 1 1 A 38 38 GLY N N 68 109.840 109.901 -0.061 1
1 228 . 4 1 1 A 39 39 ALA H H 69 8.537 7.780 0.757 1
1 229 . 4 1 1 A 39 39 ALA HA H 69 3.726 4.225 -0.499 1
1 233 . 4 1 1 A 39 39 ALA N N 69 121.278 123.673 -2.395 1
1 234 . 4 1 1 A 40 40 ALA H H 70 8.170 8.700 -0.530 1
1 235 . 4 1 1 A 40 40 ALA HA H 70 4.189 3.816 0.373 1
1 239 . 4 1 1 A 40 40 ALA N N 70 117.964 121.164 -3.200 1
1 240 . 4 1 1 A 41 41 CYS H H 71 6.933 7.380 -0.447 1
1 241 . 4 1 1 A 41 41 CYS HA H 71 3.880 4.647 -0.767 1
1 244 . 4 1 1 A 41 41 CYS N N 71 121.577 116.804 4.773 1
1 245 . 4 1 1 A 42 42 ASN H H 72 8.623 8.717 -0.094 1
1 246 . 4 1 1 A 42 42 ASN HA H 72 4.885 4.681 0.204 1
1 251 . 4 1 1 A 42 42 ASN N N 72 128.800 123.333 5.467 1
1 252 . 4 1 1 A 43 43 CYS H H 73 8.668 7.277 1.391 1
1 253 . 4 1 1 A 43 43 CYS HA H 73 4.035 4.251 -0.216 1
1 256 . 4 1 1 A 43 43 CYS N N 73 126.110 120.100 6.010 1
1 257 . 4 1 1 A 44 44 ALA H H 74 9.196 8.828 0.368 1
1 258 . 4 1 1 A 44 44 ALA HA H 74 4.099 3.980 0.119 1
1 262 . 4 1 1 A 44 44 ALA N N 74 133.819 131.707 2.112 1
1 263 . 4 1 1 A 45 45 SER H H 75 8.371 8.198 0.173 1
1 264 . 4 1 1 A 45 45 SER HA H 75 4.314 4.184 0.130 1
1 267 . 4 1 1 A 45 45 SER N N 75 116.040 112.528 3.512 1
1 268 . 4 1 1 A 46 46 CYS H H 76 8.221 8.186 0.035 1
1 269 . 4 1 1 A 46 46 CYS HA H 76 4.135 4.351 -0.216 1
1 272 . 4 1 1 A 46 46 CYS N N 76 122.567 119.755 2.812 1
1 273 . 4 1 1 A 47 47 GLY H H 77 7.514 8.203 -0.689 1
1 274 . 4 1 1 A 47 47 GLY HA2 H 77 3.727 3.942 -0.215 1
1 275 . 4 1 1 A 47 47 GLY HA3 H 77 4.206 3.943 0.263 1
1 276 . 4 1 1 A 47 47 GLY N N 77 105.830 110.021 -4.191 1
1 277 . 4 1 1 A 48 48 SER H H 78 7.451 7.697 -0.246 1
1 278 . 4 1 1 A 48 48 SER HA H 78 4.322 4.356 -0.034 1
1 281 . 4 1 1 A 48 48 SER N N 78 114.464 113.427 1.037 1
1 282 . 4 1 1 A 49 49 ALA H H 79 8.245 8.580 -0.335 1
1 283 . 4 1 1 A 49 49 ALA HA H 79 4.197 4.697 -0.500 1
1 287 . 4 1 1 A 49 49 ALA N N 79 126.080 126.126 -0.046 1
1 288 . 4 1 1 A 50 50 THR H H 80 7.999 8.300 -0.301 1
1 289 . 4 1 1 A 50 50 THR HA H 80 4.208 5.227 -1.019 1
1 294 . 4 1 1 A 50 50 THR N N 80 113.328 110.380 2.948 1
1 295 . 4 1 1 A 51 51 ALA H H 81 8.246 8.515 -0.269 1
1 296 . 4 1 1 A 51 51 ALA HA H 81 4.507 4.632 -0.125 1
1 300 . 4 1 1 A 51 51 ALA N N 81 128.270 121.977 6.293 1
1 301 . 4 1 1 A 52 52 PRO HA H 82 4.327 4.447 -0.120 1
1 5 . 5 1 1 A 2 2 GLU H H 32 8.239 8.120 0.119 1
1 6 . 5 1 1 A 2 2 GLU HA H 32 4.219 4.602 -0.383 1
1 11 . 5 1 1 A 2 2 GLU N N 32 120.194 121.438 -1.244 1
1 12 . 5 1 1 A 3 3 HIS H H 33 8.495 8.631 -0.136 1
1 13 . 5 1 1 A 3 3 HIS HA H 33 4.786 4.957 -0.171 1
1 18 . 5 1 1 A 3 3 HIS N N 33 118.099 119.305 -1.206 1
1 19 . 5 1 1 A 4 4 THR H H 34 9.623 8.540 1.083 1
1 20 . 5 1 1 A 4 4 THR HA H 34 4.376 4.196 0.180 1
1 25 . 5 1 1 A 4 4 THR N N 34 123.055 116.852 6.203 1
1 26 . 5 1 1 A 5 5 THR H H 35 8.303 8.390 -0.087 1
1 27 . 5 1 1 A 5 5 THR HA H 35 4.567 4.843 -0.276 1
1 32 . 5 1 1 A 5 5 THR N N 35 112.573 117.171 -4.598 1
1 33 . 5 1 1 A 6 6 CYS H H 36 8.310 8.995 -0.685 1
1 34 . 5 1 1 A 6 6 CYS HA H 36 4.044 4.601 -0.557 1
1 37 . 5 1 1 A 6 6 CYS N N 36 119.577 122.088 -2.511 1
1 38 . 5 1 1 A 7 7 GLY H H 37 9.375 8.808 0.567 1
1 39 . 5 1 1 A 7 7 GLY HA2 H 37 3.892 3.826 0.066 1
1 40 . 5 1 1 A 7 7 GLY HA3 H 37 3.974 3.828 0.146 1
1 41 . 5 1 1 A 7 7 GLY N N 37 123.215 113.236 9.979 1
1 42 . 5 1 1 A 8 8 CYS H H 38 7.181 7.699 -0.518 1
1 43 . 5 1 1 A 8 8 CYS HA H 38 4.507 4.396 0.111 1
1 46 . 5 1 1 A 8 8 CYS N N 38 117.576 117.294 0.282 1
1 47 . 5 1 1 A 9 9 GLY H H 39 8.218 9.697 -1.479 1
1 48 . 5 1 1 A 9 9 GLY HA2 H 39 4.453 3.909 0.544 1
1 49 . 5 1 1 A 9 9 GLY HA3 H 39 4.453 3.914 0.539 1
1 50 . 5 1 1 A 9 9 GLY N N 39 111.592 111.491 0.101 1
1 51 . 5 1 1 A 10 10 GLU H H 40 8.189 7.464 0.725 1
1 52 . 5 1 1 A 10 10 GLU HA H 40 4.453 4.868 -0.415 1
1 57 . 5 1 1 A 10 10 GLU N N 40 122.585 116.393 6.192 1
1 58 . 5 1 1 A 11 11 HIS H H 41 9.047 8.828 0.219 1
1 59 . 5 1 1 A 11 11 HIS HA H 41 4.348 4.669 -0.321 1
1 64 . 5 1 1 A 11 11 HIS N N 41 123.245 122.434 0.811 1
1 65 . 5 1 1 A 12 12 CYS H H 42 8.400 8.699 -0.299 1
1 66 . 5 1 1 A 12 12 CYS HA H 42 4.392 4.886 -0.494 1
1 69 . 5 1 1 A 12 12 CYS N N 42 125.049 123.482 1.567 1
1 70 . 5 1 1 A 13 13 GLY H H 43 8.437 8.783 -0.346 1
1 71 . 5 1 1 A 13 13 GLY HA2 H 43 3.724 3.874 -0.150 1
1 72 . 5 1 1 A 13 13 GLY HA3 H 43 3.827 3.878 -0.051 1
1 73 . 5 1 1 A 13 13 GLY N N 43 113.590 113.121 0.469 1
1 74 . 5 1 1 A 14 14 CYS H H 44 7.420 8.271 -0.851 1
1 75 . 5 1 1 A 14 14 CYS HA H 44 4.299 4.461 -0.162 1
1 78 . 5 1 1 A 14 14 CYS N N 44 118.586 115.622 2.964 1
1 79 . 5 1 1 A 15 15 ASN H H 45 7.169 7.942 -0.773 1
1 80 . 5 1 1 A 15 15 ASN HA H 45 4.826 5.173 -0.347 1
1 85 . 5 1 1 A 15 15 ASN N N 45 120.140 119.333 0.807 1
1 86 . 5 1 1 A 16 16 PRO HA H 46 4.103 4.463 -0.360 1
1 93 . 5 1 1 A 17 17 CYS H H 47 8.576 8.194 0.382 1
1 94 . 5 1 1 A 17 17 CYS HA H 47 4.428 4.832 -0.404 1
1 97 . 5 1 1 A 17 17 CYS N N 47 124.271 118.598 5.673 1
1 98 . 5 1 1 A 18 18 ALA H H 48 8.960 8.558 0.402 1
1 99 . 5 1 1 A 18 18 ALA HA H 48 4.157 4.025 0.132 1
1 103 . 5 1 1 A 18 18 ALA N N 48 133.579 123.012 10.567 1
1 104 . 5 1 1 A 19 19 CYS H H 49 9.093 8.038 1.055 1
1 105 . 5 1 1 A 19 19 CYS HA H 49 4.413 4.650 -0.237 1
1 108 . 5 1 1 A 19 19 CYS N N 49 119.595 114.556 5.039 1
1 109 . 5 1 1 A 20 20 GLY H H 50 7.744 8.157 -0.413 1
1 110 . 5 1 1 A 20 20 GLY HA2 H 50 4.099 3.946 0.153 1
1 111 . 5 1 1 A 20 20 GLY HA3 H 50 3.748 3.960 -0.212 1
1 112 . 5 1 1 A 20 20 GLY N N 50 110.042 110.658 -0.616 1
1 113 . 5 1 1 A 21 21 ARG H H 51 8.368 8.106 0.262 1
1 114 . 5 1 1 A 21 21 ARG HA H 51 4.072 4.277 -0.205 1
1 121 . 5 1 1 A 21 21 ARG N N 51 123.936 121.913 2.023 1
1 122 . 5 1 1 A 22 22 GLU H H 52 8.479 9.040 -0.561 1
1 123 . 5 1 1 A 22 22 GLU HA H 52 4.270 4.595 -0.325 1
1 128 . 5 1 1 A 22 22 GLU N N 52 125.329 125.329 0.000 1
1 129 . 5 1 1 A 23 23 GLY H H 53 8.279 8.032 0.247 1
1 130 . 5 1 1 A 23 23 GLY HA2 H 53 4.082 4.081 0.001 1
1 131 . 5 1 1 A 23 23 GLY HA3 H 53 3.834 4.098 -0.264 1
1 132 . 5 1 1 A 23 23 GLY N N 53 109.702 107.903 1.799 1
1 133 . 5 1 1 A 24 24 THR H H 54 8.436 8.333 0.103 1
1 134 . 5 1 1 A 24 24 THR HA H 54 4.500 4.709 -0.209 1
1 139 . 5 1 1 A 24 24 THR N N 54 118.091 116.229 1.862 1
1 140 . 5 1 1 A 25 25 PRO HA H 55 3.884 4.613 -0.729 1
1 147 . 5 1 1 A 26 26 SER H H 56 8.916 8.106 0.810 1
1 148 . 5 1 1 A 26 26 SER HA H 56 4.182 4.835 -0.653 1
1 151 . 5 1 1 A 26 26 SER N N 56 119.151 116.892 2.259 1
1 152 . 5 1 1 A 27 27 GLY H H 57 8.936 8.928 0.008 1
1 153 . 5 1 1 A 27 27 GLY HA2 H 57 3.705 3.843 -0.138 1
1 154 . 5 1 1 A 27 27 GLY HA3 H 57 3.875 3.844 0.031 1
1 155 . 5 1 1 A 27 27 GLY N N 57 111.837 113.270 -1.433 1
1 156 . 5 1 1 A 28 28 ARG H H 58 7.970 7.963 0.007 1
1 157 . 5 1 1 A 28 28 ARG HA H 58 4.024 4.528 -0.504 1
1 164 . 5 1 1 A 28 28 ARG N N 58 120.058 120.438 -0.380 1
1 165 . 5 1 1 A 29 29 ALA H H 59 8.507 7.346 1.161 1
1 166 . 5 1 1 A 29 29 ALA HA H 59 4.073 4.456 -0.383 1
1 170 . 5 1 1 A 29 29 ALA N N 59 125.094 120.000 5.094 1
1 171 . 5 1 1 A 30 30 ASN H H 60 8.497 8.775 -0.278 1
1 172 . 5 1 1 A 30 30 ASN HA H 60 4.372 4.698 -0.326 1
1 177 . 5 1 1 A 30 30 ASN N N 60 113.096 117.166 -4.070 1
1 178 . 5 1 1 A 31 31 ARG H H 61 7.205 7.744 -0.539 1
1 179 . 5 1 1 A 31 31 ARG HA H 61 4.885 4.424 0.461 1
1 186 . 5 1 1 A 31 31 ARG N N 61 116.323 118.841 -2.518 1
1 187 . 5 1 1 A 32 32 ARG H H 62 8.215 8.586 -0.371 1
1 188 . 5 1 1 A 32 32 ARG HA H 62 3.983 4.448 -0.465 1
1 195 . 5 1 1 A 32 32 ARG N N 62 121.556 121.996 -0.440 1
1 196 . 5 1 1 A 33 33 ALA H H 63 8.569 8.132 0.437 1
1 197 . 5 1 1 A 33 33 ALA HA H 63 3.979 4.044 -0.065 1
1 201 . 5 1 1 A 33 33 ALA N N 63 125.837 120.228 5.609 1
1 202 . 5 1 1 A 34 34 ASN H H 64 7.992 8.307 -0.315 1
1 203 . 5 1 1 A 34 34 ASN HA H 64 4.455 4.974 -0.519 1
1 208 . 5 1 1 A 34 34 ASN N N 64 112.193 112.511 -0.318 1
1 209 . 5 1 1 A 35 35 CYS H H 65 7.716 7.588 0.128 1
1 210 . 5 1 1 A 35 35 CYS HA H 65 4.579 4.589 -0.010 1
1 213 . 5 1 1 A 35 35 CYS N N 65 122.640 121.221 1.419 1
1 214 . 5 1 1 A 36 36 SER H H 66 9.392 8.847 0.545 1
1 215 . 5 1 1 A 36 36 SER HA H 66 4.764 4.581 0.183 1
1 218 . 5 1 1 A 36 36 SER N N 66 129.091 121.170 7.921 1
1 219 . 5 1 1 A 37 37 CYS H H 67 9.652 7.573 2.079 1
1 220 . 5 1 1 A 37 37 CYS HA H 67 3.926 4.604 -0.678 1
1 223 . 5 1 1 A 37 37 CYS N N 67 125.082 122.239 2.843 1
1 224 . 5 1 1 A 38 38 GLY H H 68 9.023 8.423 0.600 1
1 225 . 5 1 1 A 38 38 GLY HA2 H 68 3.754 4.298 -0.544 1
1 226 . 5 1 1 A 38 38 GLY HA3 H 68 4.221 4.298 -0.077 1
1 227 . 5 1 1 A 38 38 GLY N N 68 109.840 108.556 1.284 1
1 228 . 5 1 1 A 39 39 ALA H H 69 8.537 8.728 -0.191 1
1 229 . 5 1 1 A 39 39 ALA HA H 69 3.726 4.154 -0.428 1
1 233 . 5 1 1 A 39 39 ALA N N 69 121.278 121.869 -0.591 1
1 234 . 5 1 1 A 40 40 ALA H H 70 8.170 7.617 0.553 1
1 235 . 5 1 1 A 40 40 ALA HA H 70 4.189 4.380 -0.191 1
1 239 . 5 1 1 A 40 40 ALA N N 70 117.964 119.088 -1.124 1
1 240 . 5 1 1 A 41 41 CYS H H 71 6.933 8.145 -1.212 1
1 241 . 5 1 1 A 41 41 CYS HA H 71 3.880 4.841 -0.961 1
1 244 . 5 1 1 A 41 41 CYS N N 71 121.577 119.206 2.371 1
1 245 . 5 1 1 A 42 42 ASN H H 72 8.623 8.702 -0.079 1
1 246 . 5 1 1 A 42 42 ASN HA H 72 4.885 5.050 -0.165 1
1 251 . 5 1 1 A 42 42 ASN N N 72 128.800 122.271 6.529 1
1 252 . 5 1 1 A 43 43 CYS H H 73 8.668 6.892 1.776 1
1 253 . 5 1 1 A 43 43 CYS HA H 73 4.035 4.256 -0.221 1
1 256 . 5 1 1 A 43 43 CYS N N 73 126.110 120.142 5.968 1
1 257 . 5 1 1 A 44 44 ALA H H 74 9.196 8.942 0.254 1
1 258 . 5 1 1 A 44 44 ALA HA H 74 4.099 3.968 0.131 1
1 262 . 5 1 1 A 44 44 ALA N N 74 133.819 131.416 2.403 1
1 263 . 5 1 1 A 45 45 SER H H 75 8.371 8.103 0.268 1
1 264 . 5 1 1 A 45 45 SER HA H 75 4.314 4.232 0.082 1
1 267 . 5 1 1 A 45 45 SER N N 75 116.040 113.185 2.855 1
1 268 . 5 1 1 A 46 46 CYS H H 76 8.221 8.161 0.060 1
1 269 . 5 1 1 A 46 46 CYS HA H 76 4.135 4.577 -0.442 1
1 272 . 5 1 1 A 46 46 CYS N N 76 122.567 117.821 4.746 1
1 273 . 5 1 1 A 47 47 GLY H H 77 7.514 7.995 -0.481 1
1 274 . 5 1 1 A 47 47 GLY HA2 H 77 3.727 3.812 -0.085 1
1 275 . 5 1 1 A 47 47 GLY HA3 H 77 4.206 3.813 0.393 1
1 276 . 5 1 1 A 47 47 GLY N N 77 105.830 110.250 -4.420 1
1 277 . 5 1 1 A 48 48 SER H H 78 7.451 7.576 -0.125 1
1 278 . 5 1 1 A 48 48 SER HA H 78 4.322 4.612 -0.290 1
1 281 . 5 1 1 A 48 48 SER N N 78 114.464 116.318 -1.854 1
1 282 . 5 1 1 A 49 49 ALA H H 79 8.245 8.822 -0.577 1
1 283 . 5 1 1 A 49 49 ALA HA H 79 4.197 4.495 -0.298 1
1 287 . 5 1 1 A 49 49 ALA N N 79 126.080 123.659 2.421 1
1 288 . 5 1 1 A 50 50 THR H H 80 7.999 8.171 -0.172 1
1 289 . 5 1 1 A 50 50 THR HA H 80 4.208 3.956 0.252 1
1 294 . 5 1 1 A 50 50 THR N N 80 113.328 112.872 0.456 1
1 295 . 5 1 1 A 51 51 ALA H H 81 8.246 7.717 0.529 1
1 296 . 5 1 1 A 51 51 ALA HA H 81 4.507 4.812 -0.305 1
1 300 . 5 1 1 A 51 51 ALA N N 81 128.270 119.087 9.183 1
1 301 . 5 1 1 A 52 52 PRO HA H 82 4.327 4.354 -0.027 1
1 5 . 6 1 1 A 2 2 GLU H H 32 8.239 8.660 -0.421 1
1 6 . 6 1 1 A 2 2 GLU HA H 32 4.219 4.695 -0.476 1
1 11 . 6 1 1 A 2 2 GLU N N 32 120.194 119.385 0.809 1
1 12 . 6 1 1 A 3 3 HIS H H 33 8.495 7.609 0.886 1
1 13 . 6 1 1 A 3 3 HIS HA H 33 4.786 5.114 -0.328 1
1 18 . 6 1 1 A 3 3 HIS N N 33 118.099 118.617 -0.518 1
1 19 . 6 1 1 A 4 4 THR H H 34 9.623 8.552 1.071 1
1 20 . 6 1 1 A 4 4 THR HA H 34 4.376 4.258 0.118 1
1 25 . 6 1 1 A 4 4 THR N N 34 123.055 116.854 6.201 1
1 26 . 6 1 1 A 5 5 THR H H 35 8.303 8.478 -0.175 1
1 27 . 6 1 1 A 5 5 THR HA H 35 4.567 4.896 -0.329 1
1 32 . 6 1 1 A 5 5 THR N N 35 112.573 117.237 -4.664 1
1 33 . 6 1 1 A 6 6 CYS H H 36 8.310 9.124 -0.814 1
1 34 . 6 1 1 A 6 6 CYS HA H 36 4.044 4.745 -0.701 1
1 37 . 6 1 1 A 6 6 CYS N N 36 119.577 122.377 -2.800 1
1 38 . 6 1 1 A 7 7 GLY H H 37 9.375 8.804 0.571 1
1 39 . 6 1 1 A 7 7 GLY HA2 H 37 3.892 3.824 0.068 1
1 40 . 6 1 1 A 7 7 GLY HA3 H 37 3.974 3.827 0.147 1
1 41 . 6 1 1 A 7 7 GLY N N 37 123.215 113.449 9.766 1
1 42 . 6 1 1 A 8 8 CYS H H 38 7.181 7.650 -0.469 1
1 43 . 6 1 1 A 8 8 CYS HA H 38 4.507 4.377 0.130 1
1 46 . 6 1 1 A 8 8 CYS N N 38 117.576 117.365 0.211 1
1 47 . 6 1 1 A 9 9 GLY H H 39 8.218 9.539 -1.321 1
1 48 . 6 1 1 A 9 9 GLY HA2 H 39 4.453 3.929 0.524 1
1 49 . 6 1 1 A 9 9 GLY HA3 H 39 4.453 3.934 0.519 1
1 50 . 6 1 1 A 9 9 GLY N N 39 111.592 110.740 0.852 1
1 51 . 6 1 1 A 10 10 GLU H H 40 8.189 7.402 0.787 1
1 52 . 6 1 1 A 10 10 GLU HA H 40 4.453 4.809 -0.356 1
1 57 . 6 1 1 A 10 10 GLU N N 40 122.585 115.631 6.954 1
1 58 . 6 1 1 A 11 11 HIS H H 41 9.047 8.843 0.204 1
1 59 . 6 1 1 A 11 11 HIS HA H 41 4.348 4.704 -0.356 1
1 64 . 6 1 1 A 11 11 HIS N N 41 123.245 122.363 0.882 1
1 65 . 6 1 1 A 12 12 CYS H H 42 8.400 8.612 -0.212 1
1 66 . 6 1 1 A 12 12 CYS HA H 42 4.392 4.735 -0.343 1
1 69 . 6 1 1 A 12 12 CYS N N 42 125.049 123.119 1.930 1
1 70 . 6 1 1 A 13 13 GLY H H 43 8.437 8.784 -0.347 1
1 71 . 6 1 1 A 13 13 GLY HA2 H 43 3.724 3.860 -0.136 1
1 72 . 6 1 1 A 13 13 GLY HA3 H 43 3.827 3.868 -0.041 1
1 73 . 6 1 1 A 13 13 GLY N N 43 113.590 112.334 1.256 1
1 74 . 6 1 1 A 14 14 CYS H H 44 7.420 7.888 -0.468 1
1 75 . 6 1 1 A 14 14 CYS HA H 44 4.299 4.322 -0.023 1
1 78 . 6 1 1 A 14 14 CYS N N 44 118.586 116.864 1.722 1
1 79 . 6 1 1 A 15 15 ASN H H 45 7.169 7.617 -0.448 1
1 80 . 6 1 1 A 15 15 ASN HA H 45 4.826 5.165 -0.339 1
1 85 . 6 1 1 A 15 15 ASN N N 45 120.140 119.603 0.537 1
1 86 . 6 1 1 A 16 16 PRO HA H 46 4.103 4.660 -0.557 1
1 93 . 6 1 1 A 17 17 CYS H H 47 8.576 8.111 0.465 1
1 94 . 6 1 1 A 17 17 CYS HA H 47 4.428 4.842 -0.414 1
1 97 . 6 1 1 A 17 17 CYS N N 47 124.271 118.139 6.132 1
1 98 . 6 1 1 A 18 18 ALA H H 48 8.960 8.486 0.474 1
1 99 . 6 1 1 A 18 18 ALA HA H 48 4.157 3.979 0.178 1
1 103 . 6 1 1 A 18 18 ALA N N 48 133.579 122.585 10.994 1
1 104 . 6 1 1 A 19 19 CYS H H 49 9.093 7.820 1.273 1
1 105 . 6 1 1 A 19 19 CYS HA H 49 4.413 4.694 -0.281 1
1 108 . 6 1 1 A 19 19 CYS N N 49 119.595 114.756 4.839 1
1 109 . 6 1 1 A 20 20 GLY H H 50 7.744 8.631 -0.887 1
1 110 . 6 1 1 A 20 20 GLY HA2 H 50 4.099 3.979 0.120 1
1 111 . 6 1 1 A 20 20 GLY HA3 H 50 3.748 3.988 -0.240 1
1 112 . 6 1 1 A 20 20 GLY N N 50 110.042 111.227 -1.185 1
1 113 . 6 1 1 A 21 21 ARG H H 51 8.368 7.959 0.409 1
1 114 . 6 1 1 A 21 21 ARG HA H 51 4.072 4.321 -0.249 1
1 121 . 6 1 1 A 21 21 ARG N N 51 123.936 122.150 1.786 1
1 122 . 6 1 1 A 22 22 GLU H H 52 8.479 8.941 -0.462 1
1 123 . 6 1 1 A 22 22 GLU HA H 52 4.270 4.743 -0.473 1
1 128 . 6 1 1 A 22 22 GLU N N 52 125.329 123.486 1.843 1
1 129 . 6 1 1 A 23 23 GLY H H 53 8.279 7.994 0.285 1
1 130 . 6 1 1 A 23 23 GLY HA2 H 53 4.082 4.070 0.012 1
1 131 . 6 1 1 A 23 23 GLY HA3 H 53 3.834 4.085 -0.251 1
1 132 . 6 1 1 A 23 23 GLY N N 53 109.702 110.101 -0.399 1
1 133 . 6 1 1 A 24 24 THR H H 54 8.436 8.301 0.135 1
1 134 . 6 1 1 A 24 24 THR HA H 54 4.500 4.759 -0.259 1
1 139 . 6 1 1 A 24 24 THR N N 54 118.091 116.452 1.639 1
1 140 . 6 1 1 A 25 25 PRO HA H 55 3.884 4.889 -1.005 1
1 147 . 6 1 1 A 26 26 SER H H 56 8.916 8.313 0.603 1
1 148 . 6 1 1 A 26 26 SER HA H 56 4.182 4.928 -0.746 1
1 151 . 6 1 1 A 26 26 SER N N 56 119.151 113.927 5.224 1
1 152 . 6 1 1 A 27 27 GLY H H 57 8.936 8.279 0.657 1
1 153 . 6 1 1 A 27 27 GLY HA2 H 57 3.705 3.924 -0.219 1
1 154 . 6 1 1 A 27 27 GLY HA3 H 57 3.875 3.924 -0.049 1
1 155 . 6 1 1 A 27 27 GLY N N 57 111.837 110.531 1.306 1
1 156 . 6 1 1 A 28 28 ARG H H 58 7.970 8.101 -0.131 1
1 157 . 6 1 1 A 28 28 ARG HA H 58 4.024 4.208 -0.184 1
1 164 . 6 1 1 A 28 28 ARG N N 58 120.058 119.078 0.980 1
1 165 . 6 1 1 A 29 29 ALA H H 59 8.507 8.111 0.396 1
1 166 . 6 1 1 A 29 29 ALA HA H 59 4.073 4.566 -0.493 1
1 170 . 6 1 1 A 29 29 ALA N N 59 125.094 120.424 4.670 1
1 171 . 6 1 1 A 30 30 ASN H H 60 8.497 8.543 -0.046 1
1 172 . 6 1 1 A 30 30 ASN HA H 60 4.372 4.663 -0.291 1
1 177 . 6 1 1 A 30 30 ASN N N 60 113.096 114.352 -1.256 1
1 178 . 6 1 1 A 31 31 ARG H H 61 7.205 7.713 -0.508 1
1 179 . 6 1 1 A 31 31 ARG HA H 61 4.885 4.650 0.235 1
1 186 . 6 1 1 A 31 31 ARG N N 61 116.323 118.465 -2.142 1
1 187 . 6 1 1 A 32 32 ARG H H 62 8.215 8.791 -0.576 1
1 188 . 6 1 1 A 32 32 ARG HA H 62 3.983 4.431 -0.448 1
1 195 . 6 1 1 A 32 32 ARG N N 62 121.556 122.732 -1.176 1
1 196 . 6 1 1 A 33 33 ALA H H 63 8.569 7.608 0.961 1
1 197 . 6 1 1 A 33 33 ALA HA H 63 3.979 4.107 -0.128 1
1 201 . 6 1 1 A 33 33 ALA N N 63 125.837 120.005 5.832 1
1 202 . 6 1 1 A 34 34 ASN H H 64 7.992 8.212 -0.220 1
1 203 . 6 1 1 A 34 34 ASN HA H 64 4.455 5.073 -0.618 1
1 208 . 6 1 1 A 34 34 ASN N N 64 112.193 113.507 -1.314 1
1 209 . 6 1 1 A 35 35 CYS H H 65 7.716 7.631 0.085 1
1 210 . 6 1 1 A 35 35 CYS HA H 65 4.579 4.712 -0.133 1
1 213 . 6 1 1 A 35 35 CYS N N 65 122.640 121.271 1.369 1
1 214 . 6 1 1 A 36 36 SER H H 66 9.392 8.587 0.805 1
1 215 . 6 1 1 A 36 36 SER HA H 66 4.764 4.633 0.131 1
1 218 . 6 1 1 A 36 36 SER N N 66 129.091 122.895 6.196 1
1 219 . 6 1 1 A 37 37 CYS H H 67 9.652 7.524 2.128 1
1 220 . 6 1 1 A 37 37 CYS HA H 67 3.926 4.502 -0.576 1
1 223 . 6 1 1 A 37 37 CYS N N 67 125.082 120.409 4.673 1
1 224 . 6 1 1 A 38 38 GLY H H 68 9.023 8.280 0.743 1
1 225 . 6 1 1 A 38 38 GLY HA2 H 68 3.754 4.185 -0.431 1
1 226 . 6 1 1 A 38 38 GLY HA3 H 68 4.221 4.186 0.035 1
1 227 . 6 1 1 A 38 38 GLY N N 68 109.840 111.703 -1.863 1
1 228 . 6 1 1 A 39 39 ALA H H 69 8.537 7.988 0.549 1
1 229 . 6 1 1 A 39 39 ALA HA H 69 3.726 4.555 -0.829 1
1 233 . 6 1 1 A 39 39 ALA N N 69 121.278 123.254 -1.976 1
1 234 . 6 1 1 A 40 40 ALA H H 70 8.170 8.492 -0.322 1
1 235 . 6 1 1 A 40 40 ALA HA H 70 4.189 3.816 0.373 1
1 239 . 6 1 1 A 40 40 ALA N N 70 117.964 121.931 -3.967 1
1 240 . 6 1 1 A 41 41 CYS H H 71 6.933 7.926 -0.993 1
1 241 . 6 1 1 A 41 41 CYS HA H 71 3.880 4.942 -1.062 1
1 244 . 6 1 1 A 41 41 CYS N N 71 121.577 116.626 4.951 1
1 245 . 6 1 1 A 42 42 ASN H H 72 8.623 8.650 -0.027 1
1 246 . 6 1 1 A 42 42 ASN HA H 72 4.885 5.066 -0.181 1
1 251 . 6 1 1 A 42 42 ASN N N 72 128.800 125.068 3.732 1
1 252 . 6 1 1 A 43 43 CYS H H 73 8.668 7.404 1.264 1
1 253 . 6 1 1 A 43 43 CYS HA H 73 4.035 4.242 -0.207 1
1 256 . 6 1 1 A 43 43 CYS N N 73 126.110 120.491 5.619 1
1 257 . 6 1 1 A 44 44 ALA H H 74 9.196 8.963 0.233 1
1 258 . 6 1 1 A 44 44 ALA HA H 74 4.099 3.919 0.180 1
1 262 . 6 1 1 A 44 44 ALA N N 74 133.819 131.349 2.470 1
1 263 . 6 1 1 A 45 45 SER H H 75 8.371 8.054 0.317 1
1 264 . 6 1 1 A 45 45 SER HA H 75 4.314 4.249 0.065 1
1 267 . 6 1 1 A 45 45 SER N N 75 116.040 113.231 2.809 1
1 268 . 6 1 1 A 46 46 CYS H H 76 8.221 8.006 0.215 1
1 269 . 6 1 1 A 46 46 CYS HA H 76 4.135 4.578 -0.443 1
1 272 . 6 1 1 A 46 46 CYS N N 76 122.567 118.044 4.523 1
1 273 . 6 1 1 A 47 47 GLY H H 77 7.514 8.284 -0.770 1
1 274 . 6 1 1 A 47 47 GLY HA2 H 77 3.727 3.930 -0.203 1
1 275 . 6 1 1 A 47 47 GLY HA3 H 77 4.206 3.931 0.275 1
1 276 . 6 1 1 A 47 47 GLY N N 77 105.830 110.020 -4.190 1
1 277 . 6 1 1 A 48 48 SER H H 78 7.451 7.534 -0.083 1
1 278 . 6 1 1 A 48 48 SER HA H 78 4.322 4.347 -0.025 1
1 281 . 6 1 1 A 48 48 SER N N 78 114.464 116.868 -2.404 1
1 282 . 6 1 1 A 49 49 ALA H H 79 8.245 8.864 -0.619 1
1 283 . 6 1 1 A 49 49 ALA HA H 79 4.197 4.836 -0.639 1
1 287 . 6 1 1 A 49 49 ALA N N 79 126.080 127.045 -0.965 1
1 288 . 6 1 1 A 50 50 THR H H 80 7.999 8.087 -0.088 1
1 289 . 6 1 1 A 50 50 THR HA H 80 4.208 4.589 -0.381 1
1 294 . 6 1 1 A 50 50 THR N N 80 113.328 109.944 3.384 1
1 295 . 6 1 1 A 51 51 ALA H H 81 8.246 7.374 0.872 1
1 296 . 6 1 1 A 51 51 ALA HA H 81 4.507 4.461 0.046 1
1 300 . 6 1 1 A 51 51 ALA N N 81 128.270 125.720 2.550 1
1 301 . 6 1 1 A 52 52 PRO HA H 82 4.327 4.595 -0.268 1
1 5 . 7 1 1 A 2 2 GLU H H 32 8.239 8.238 0.001 1
1 6 . 7 1 1 A 2 2 GLU HA H 32 4.219 4.443 -0.224 1
1 11 . 7 1 1 A 2 2 GLU N N 32 120.194 118.704 1.490 1
1 12 . 7 1 1 A 3 3 HIS H H 33 8.495 8.613 -0.118 1
1 13 . 7 1 1 A 3 3 HIS HA H 33 4.786 4.841 -0.055 1
1 18 . 7 1 1 A 3 3 HIS N N 33 118.099 120.678 -2.579 1
1 19 . 7 1 1 A 4 4 THR H H 34 9.623 8.384 1.239 1
1 20 . 7 1 1 A 4 4 THR HA H 34 4.376 4.263 0.113 1
1 25 . 7 1 1 A 4 4 THR N N 34 123.055 117.365 5.690 1
1 26 . 7 1 1 A 5 5 THR H H 35 8.303 8.098 0.205 1
1 27 . 7 1 1 A 5 5 THR HA H 35 4.567 4.854 -0.287 1
1 32 . 7 1 1 A 5 5 THR N N 35 112.573 116.450 -3.877 1
1 33 . 7 1 1 A 6 6 CYS H H 36 8.310 8.984 -0.674 1
1 34 . 7 1 1 A 6 6 CYS HA H 36 4.044 4.627 -0.583 1
1 37 . 7 1 1 A 6 6 CYS N N 36 119.577 122.455 -2.878 1
1 38 . 7 1 1 A 7 7 GLY H H 37 9.375 8.801 0.574 1
1 39 . 7 1 1 A 7 7 GLY HA2 H 37 3.892 3.816 0.076 1
1 40 . 7 1 1 A 7 7 GLY HA3 H 37 3.974 3.819 0.155 1
1 41 . 7 1 1 A 7 7 GLY N N 37 123.215 113.211 10.004 1
1 42 . 7 1 1 A 8 8 CYS H H 38 7.181 7.679 -0.498 1
1 43 . 7 1 1 A 8 8 CYS HA H 38 4.507 4.375 0.132 1
1 46 . 7 1 1 A 8 8 CYS N N 38 117.576 118.274 -0.698 1
1 47 . 7 1 1 A 9 9 GLY H H 39 8.218 9.343 -1.125 1
1 48 . 7 1 1 A 9 9 GLY HA2 H 39 4.453 3.916 0.537 1
1 49 . 7 1 1 A 9 9 GLY HA3 H 39 4.453 3.923 0.530 1
1 50 . 7 1 1 A 9 9 GLY N N 39 111.592 111.368 0.224 1
1 51 . 7 1 1 A 10 10 GLU H H 40 8.189 7.277 0.912 1
1 52 . 7 1 1 A 10 10 GLU HA H 40 4.453 4.950 -0.497 1
1 57 . 7 1 1 A 10 10 GLU N N 40 122.585 116.172 6.413 1
1 58 . 7 1 1 A 11 11 HIS H H 41 9.047 8.783 0.264 1
1 59 . 7 1 1 A 11 11 HIS HA H 41 4.348 4.677 -0.329 1
1 64 . 7 1 1 A 11 11 HIS N N 41 123.245 120.880 2.365 1
1 65 . 7 1 1 A 12 12 CYS H H 42 8.400 8.572 -0.172 1
1 66 . 7 1 1 A 12 12 CYS HA H 42 4.392 4.835 -0.443 1
1 69 . 7 1 1 A 12 12 CYS N N 42 125.049 123.613 1.436 1
1 70 . 7 1 1 A 13 13 GLY H H 43 8.437 8.875 -0.438 1
1 71 . 7 1 1 A 13 13 GLY HA2 H 43 3.724 3.861 -0.137 1
1 72 . 7 1 1 A 13 13 GLY HA3 H 43 3.827 3.869 -0.042 1
1 73 . 7 1 1 A 13 13 GLY N N 43 113.590 112.884 0.706 1
1 74 . 7 1 1 A 14 14 CYS H H 44 7.420 7.998 -0.578 1
1 75 . 7 1 1 A 14 14 CYS HA H 44 4.299 4.342 -0.043 1
1 78 . 7 1 1 A 14 14 CYS N N 44 118.586 116.956 1.630 1
1 79 . 7 1 1 A 15 15 ASN H H 45 7.169 7.848 -0.679 1
1 80 . 7 1 1 A 15 15 ASN HA H 45 4.826 5.159 -0.333 1
1 85 . 7 1 1 A 15 15 ASN N N 45 120.140 119.506 0.634 1
1 86 . 7 1 1 A 16 16 PRO HA H 46 4.103 4.649 -0.546 1
1 93 . 7 1 1 A 17 17 CYS H H 47 8.576 8.142 0.434 1
1 94 . 7 1 1 A 17 17 CYS HA H 47 4.428 4.827 -0.399 1
1 97 . 7 1 1 A 17 17 CYS N N 47 124.271 118.353 5.918 1
1 98 . 7 1 1 A 18 18 ALA H H 48 8.960 8.819 0.141 1
1 99 . 7 1 1 A 18 18 ALA HA H 48 4.157 4.042 0.115 1
1 103 . 7 1 1 A 18 18 ALA N N 48 133.579 123.898 9.681 1
1 104 . 7 1 1 A 19 19 CYS H H 49 9.093 8.160 0.933 1
1 105 . 7 1 1 A 19 19 CYS HA H 49 4.413 4.555 -0.142 1
1 108 . 7 1 1 A 19 19 CYS N N 49 119.595 114.025 5.570 1
1 109 . 7 1 1 A 20 20 GLY H H 50 7.744 8.338 -0.594 1
1 110 . 7 1 1 A 20 20 GLY HA2 H 50 4.099 3.942 0.157 1
1 111 . 7 1 1 A 20 20 GLY HA3 H 50 3.748 3.965 -0.217 1
1 112 . 7 1 1 A 20 20 GLY N N 50 110.042 111.424 -1.382 1
1 113 . 7 1 1 A 21 21 ARG H H 51 8.368 7.808 0.560 1
1 114 . 7 1 1 A 21 21 ARG HA H 51 4.072 4.794 -0.722 1
1 121 . 7 1 1 A 21 21 ARG N N 51 123.936 120.514 3.422 1
1 122 . 7 1 1 A 22 22 GLU H H 52 8.479 8.893 -0.414 1
1 123 . 7 1 1 A 22 22 GLU HA H 52 4.270 5.060 -0.790 1
1 128 . 7 1 1 A 22 22 GLU N N 52 125.329 123.549 1.780 1
1 129 . 7 1 1 A 23 23 GLY H H 53 8.279 8.701 -0.422 1
1 130 . 7 1 1 A 23 23 GLY HA2 H 53 4.082 4.056 0.026 1
1 131 . 7 1 1 A 23 23 GLY HA3 H 53 3.834 4.063 -0.229 1
1 132 . 7 1 1 A 23 23 GLY N N 53 109.702 110.176 -0.474 1
1 133 . 7 1 1 A 24 24 THR H H 54 8.436 8.397 0.039 1
1 134 . 7 1 1 A 24 24 THR HA H 54 4.500 4.188 0.312 1
1 139 . 7 1 1 A 24 24 THR N N 54 118.091 113.827 4.264 1
1 140 . 7 1 1 A 25 25 PRO HA H 55 3.884 4.509 -0.625 1
1 147 . 7 1 1 A 26 26 SER H H 56 8.916 8.116 0.800 1
1 148 . 7 1 1 A 26 26 SER HA H 56 4.182 4.658 -0.476 1
1 151 . 7 1 1 A 26 26 SER N N 56 119.151 116.131 3.020 1
1 152 . 7 1 1 A 27 27 GLY H H 57 8.936 8.530 0.406 1
1 153 . 7 1 1 A 27 27 GLY HA2 H 57 3.705 3.861 -0.156 1
1 154 . 7 1 1 A 27 27 GLY HA3 H 57 3.875 3.862 0.013 1
1 155 . 7 1 1 A 27 27 GLY N N 57 111.837 111.393 0.444 1
1 156 . 7 1 1 A 28 28 ARG H H 58 7.970 8.154 -0.184 1
1 157 . 7 1 1 A 28 28 ARG HA H 58 4.024 4.229 -0.205 1
1 164 . 7 1 1 A 28 28 ARG N N 58 120.058 117.517 2.541 1
1 165 . 7 1 1 A 29 29 ALA H H 59 8.507 7.342 1.165 1
1 166 . 7 1 1 A 29 29 ALA HA H 59 4.073 4.643 -0.570 1
1 170 . 7 1 1 A 29 29 ALA N N 59 125.094 121.801 3.293 1
1 171 . 7 1 1 A 30 30 ASN H H 60 8.497 8.924 -0.427 1
1 172 . 7 1 1 A 30 30 ASN HA H 60 4.372 4.676 -0.304 1
1 177 . 7 1 1 A 30 30 ASN N N 60 113.096 119.035 -5.939 1
1 178 . 7 1 1 A 31 31 ARG H H 61 7.205 7.777 -0.572 1
1 179 . 7 1 1 A 31 31 ARG HA H 61 4.885 4.461 0.424 1
1 186 . 7 1 1 A 31 31 ARG N N 61 116.323 120.376 -4.053 1
1 187 . 7 1 1 A 32 32 ARG H H 62 8.215 8.754 -0.539 1
1 188 . 7 1 1 A 32 32 ARG HA H 62 3.983 4.446 -0.463 1
1 195 . 7 1 1 A 32 32 ARG N N 62 121.556 122.113 -0.557 1
1 196 . 7 1 1 A 33 33 ALA H H 63 8.569 8.120 0.449 1
1 197 . 7 1 1 A 33 33 ALA HA H 63 3.979 4.135 -0.156 1
1 201 . 7 1 1 A 33 33 ALA N N 63 125.837 119.375 6.462 1
1 202 . 7 1 1 A 34 34 ASN H H 64 7.992 8.309 -0.317 1
1 203 . 7 1 1 A 34 34 ASN HA H 64 4.455 4.899 -0.444 1
1 208 . 7 1 1 A 34 34 ASN N N 64 112.193 111.842 0.351 1
1 209 . 7 1 1 A 35 35 CYS H H 65 7.716 7.595 0.121 1
1 210 . 7 1 1 A 35 35 CYS HA H 65 4.579 4.697 -0.118 1
1 213 . 7 1 1 A 35 35 CYS N N 65 122.640 119.335 3.305 1
1 214 . 7 1 1 A 36 36 SER H H 66 9.392 8.712 0.680 1
1 215 . 7 1 1 A 36 36 SER HA H 66 4.764 4.670 0.094 1
1 218 . 7 1 1 A 36 36 SER N N 66 129.091 120.873 8.218 1
1 219 . 7 1 1 A 37 37 CYS H H 67 9.652 7.529 2.123 1
1 220 . 7 1 1 A 37 37 CYS HA H 67 3.926 4.536 -0.610 1
1 223 . 7 1 1 A 37 37 CYS N N 67 125.082 122.368 2.714 1
1 224 . 7 1 1 A 38 38 GLY H H 68 9.023 8.442 0.581 1
1 225 . 7 1 1 A 38 38 GLY HA2 H 68 3.754 4.198 -0.444 1
1 226 . 7 1 1 A 38 38 GLY HA3 H 68 4.221 4.198 0.023 1
1 227 . 7 1 1 A 38 38 GLY N N 68 109.840 109.600 0.240 1
1 228 . 7 1 1 A 39 39 ALA H H 69 8.537 8.666 -0.129 1
1 229 . 7 1 1 A 39 39 ALA HA H 69 3.726 4.005 -0.279 1
1 233 . 7 1 1 A 39 39 ALA N N 69 121.278 122.039 -0.761 1
1 234 . 7 1 1 A 40 40 ALA H H 70 8.170 7.812 0.358 1
1 235 . 7 1 1 A 40 40 ALA HA H 70 4.189 4.272 -0.083 1
1 239 . 7 1 1 A 40 40 ALA N N 70 117.964 118.233 -0.269 1
1 240 . 7 1 1 A 41 41 CYS H H 71 6.933 8.025 -1.092 1
1 241 . 7 1 1 A 41 41 CYS HA H 71 3.880 4.782 -0.902 1
1 244 . 7 1 1 A 41 41 CYS N N 71 121.577 118.298 3.279 1
1 245 . 7 1 1 A 42 42 ASN H H 72 8.623 8.890 -0.267 1
1 246 . 7 1 1 A 42 42 ASN HA H 72 4.885 4.906 -0.021 1
1 251 . 7 1 1 A 42 42 ASN N N 72 128.800 126.541 2.259 1
1 252 . 7 1 1 A 43 43 CYS H H 73 8.668 7.244 1.424 1
1 253 . 7 1 1 A 43 43 CYS HA H 73 4.035 4.218 -0.183 1
1 256 . 7 1 1 A 43 43 CYS N N 73 126.110 119.699 6.411 1
1 257 . 7 1 1 A 44 44 ALA H H 74 9.196 8.914 0.282 1
1 258 . 7 1 1 A 44 44 ALA HA H 74 4.099 3.985 0.114 1
1 262 . 7 1 1 A 44 44 ALA N N 74 133.819 131.218 2.601 1
1 263 . 7 1 1 A 45 45 SER H H 75 8.371 8.042 0.329 1
1 264 . 7 1 1 A 45 45 SER HA H 75 4.314 4.212 0.102 1
1 267 . 7 1 1 A 45 45 SER N N 75 116.040 113.040 3.000 1
1 268 . 7 1 1 A 46 46 CYS H H 76 8.221 8.118 0.103 1
1 269 . 7 1 1 A 46 46 CYS HA H 76 4.135 4.488 -0.353 1
1 272 . 7 1 1 A 46 46 CYS N N 76 122.567 118.347 4.220 1
1 273 . 7 1 1 A 47 47 GLY H H 77 7.514 8.035 -0.521 1
1 274 . 7 1 1 A 47 47 GLY HA2 H 77 3.727 3.785 -0.058 1
1 275 . 7 1 1 A 47 47 GLY HA3 H 77 4.206 3.785 0.421 1
1 276 . 7 1 1 A 47 47 GLY N N 77 105.830 109.885 -4.055 1
1 277 . 7 1 1 A 48 48 SER H H 78 7.451 7.915 -0.464 1
1 278 . 7 1 1 A 48 48 SER HA H 78 4.322 4.374 -0.052 1
1 281 . 7 1 1 A 48 48 SER N N 78 114.464 117.652 -3.188 1
1 282 . 7 1 1 A 49 49 ALA H H 79 8.245 8.582 -0.337 1
1 283 . 7 1 1 A 49 49 ALA HA H 79 4.197 4.649 -0.452 1
1 287 . 7 1 1 A 49 49 ALA N N 79 126.080 127.912 -1.832 1
1 288 . 7 1 1 A 50 50 THR H H 80 7.999 8.067 -0.068 1
1 289 . 7 1 1 A 50 50 THR HA H 80 4.208 4.984 -0.776 1
1 294 . 7 1 1 A 50 50 THR N N 80 113.328 109.556 3.772 1
1 295 . 7 1 1 A 51 51 ALA H H 81 8.246 8.538 -0.292 1
1 296 . 7 1 1 A 51 51 ALA HA H 81 4.507 4.803 -0.296 1
1 300 . 7 1 1 A 51 51 ALA N N 81 128.270 122.266 6.004 1
1 301 . 7 1 1 A 52 52 PRO HA H 82 4.327 4.538 -0.211 1
1 5 . 8 1 1 A 2 2 GLU H H 32 8.239 9.022 -0.783 1
1 6 . 8 1 1 A 2 2 GLU HA H 32 4.219 5.283 -1.064 1
1 11 . 8 1 1 A 2 2 GLU N N 32 120.194 117.220 2.974 1
1 12 . 8 1 1 A 3 3 HIS H H 33 8.495 8.800 -0.305 1
1 13 . 8 1 1 A 3 3 HIS HA H 33 4.786 4.949 -0.163 1
1 18 . 8 1 1 A 3 3 HIS N N 33 118.099 116.504 1.595 1
1 19 . 8 1 1 A 4 4 THR H H 34 9.623 8.604 1.019 1
1 20 . 8 1 1 A 4 4 THR HA H 34 4.376 4.269 0.107 1
1 25 . 8 1 1 A 4 4 THR N N 34 123.055 117.076 5.979 1
1 26 . 8 1 1 A 5 5 THR H H 35 8.303 8.382 -0.079 1
1 27 . 8 1 1 A 5 5 THR HA H 35 4.567 4.863 -0.296 1
1 32 . 8 1 1 A 5 5 THR N N 35 112.573 116.949 -4.376 1
1 33 . 8 1 1 A 6 6 CYS H H 36 8.310 8.973 -0.663 1
1 34 . 8 1 1 A 6 6 CYS HA H 36 4.044 4.589 -0.545 1
1 37 . 8 1 1 A 6 6 CYS N N 36 119.577 122.072 -2.495 1
1 38 . 8 1 1 A 7 7 GLY H H 37 9.375 8.751 0.624 1
1 39 . 8 1 1 A 7 7 GLY HA2 H 37 3.892 3.818 0.074 1
1 40 . 8 1 1 A 7 7 GLY HA3 H 37 3.974 3.821 0.153 1
1 41 . 8 1 1 A 7 7 GLY N N 37 123.215 112.601 10.614 1
1 42 . 8 1 1 A 8 8 CYS H H 38 7.181 7.594 -0.413 1
1 43 . 8 1 1 A 8 8 CYS HA H 38 4.507 4.389 0.118 1
1 46 . 8 1 1 A 8 8 CYS N N 38 117.576 117.847 -0.271 1
1 47 . 8 1 1 A 9 9 GLY H H 39 8.218 8.757 -0.539 1
1 48 . 8 1 1 A 9 9 GLY HA2 H 39 4.453 3.947 0.506 1
1 49 . 8 1 1 A 9 9 GLY HA3 H 39 4.453 3.953 0.500 1
1 50 . 8 1 1 A 9 9 GLY N N 39 111.592 111.495 0.097 1
1 51 . 8 1 1 A 10 10 GLU H H 40 8.189 7.451 0.738 1
1 52 . 8 1 1 A 10 10 GLU HA H 40 4.453 4.723 -0.270 1
1 57 . 8 1 1 A 10 10 GLU N N 40 122.585 118.085 4.500 1
1 58 . 8 1 1 A 11 11 HIS H H 41 9.047 8.843 0.204 1
1 59 . 8 1 1 A 11 11 HIS HA H 41 4.348 4.771 -0.423 1
1 64 . 8 1 1 A 11 11 HIS N N 41 123.245 123.713 -0.468 1
1 65 . 8 1 1 A 12 12 CYS H H 42 8.400 8.615 -0.215 1
1 66 . 8 1 1 A 12 12 CYS HA H 42 4.392 5.001 -0.609 1
1 69 . 8 1 1 A 12 12 CYS N N 42 125.049 122.848 2.201 1
1 70 . 8 1 1 A 13 13 GLY H H 43 8.437 8.619 -0.182 1
1 71 . 8 1 1 A 13 13 GLY HA2 H 43 3.724 3.882 -0.158 1
1 72 . 8 1 1 A 13 13 GLY HA3 H 43 3.827 3.889 -0.062 1
1 73 . 8 1 1 A 13 13 GLY N N 43 113.590 113.135 0.455 1
1 74 . 8 1 1 A 14 14 CYS H H 44 7.420 7.866 -0.446 1
1 75 . 8 1 1 A 14 14 CYS HA H 44 4.299 4.373 -0.074 1
1 78 . 8 1 1 A 14 14 CYS N N 44 118.586 116.081 2.505 1
1 79 . 8 1 1 A 15 15 ASN H H 45 7.169 7.889 -0.720 1
1 80 . 8 1 1 A 15 15 ASN HA H 45 4.826 5.172 -0.346 1
1 85 . 8 1 1 A 15 15 ASN N N 45 120.140 119.589 0.551 1
1 86 . 8 1 1 A 16 16 PRO HA H 46 4.103 4.454 -0.351 1
1 93 . 8 1 1 A 17 17 CYS H H 47 8.576 8.107 0.469 1
1 94 . 8 1 1 A 17 17 CYS HA H 47 4.428 4.700 -0.272 1
1 97 . 8 1 1 A 17 17 CYS N N 47 124.271 118.111 6.160 1
1 98 . 8 1 1 A 18 18 ALA H H 48 8.960 8.514 0.446 1
1 99 . 8 1 1 A 18 18 ALA HA H 48 4.157 3.977 0.180 1
1 103 . 8 1 1 A 18 18 ALA N N 48 133.579 122.538 11.041 1
1 104 . 8 1 1 A 19 19 CYS H H 49 9.093 7.899 1.194 1
1 105 . 8 1 1 A 19 19 CYS HA H 49 4.413 4.748 -0.335 1
1 108 . 8 1 1 A 19 19 CYS N N 49 119.595 114.228 5.367 1
1 109 . 8 1 1 A 20 20 GLY H H 50 7.744 8.269 -0.525 1
1 110 . 8 1 1 A 20 20 GLY HA2 H 50 4.099 3.953 0.146 1
1 111 . 8 1 1 A 20 20 GLY HA3 H 50 3.748 3.959 -0.211 1
1 112 . 8 1 1 A 20 20 GLY N N 50 110.042 110.905 -0.863 1
1 113 . 8 1 1 A 21 21 ARG H H 51 8.368 7.627 0.741 1
1 114 . 8 1 1 A 21 21 ARG HA H 51 4.072 4.340 -0.268 1
1 121 . 8 1 1 A 21 21 ARG N N 51 123.936 121.950 1.986 1
1 122 . 8 1 1 A 22 22 GLU H H 52 8.479 8.808 -0.329 1
1 123 . 8 1 1 A 22 22 GLU HA H 52 4.270 4.491 -0.221 1
1 128 . 8 1 1 A 22 22 GLU N N 52 125.329 125.380 -0.051 1
1 129 . 8 1 1 A 23 23 GLY H H 53 8.279 7.919 0.360 1
1 130 . 8 1 1 A 23 23 GLY HA2 H 53 4.082 3.884 0.198 1
1 131 . 8 1 1 A 23 23 GLY HA3 H 53 3.834 3.909 -0.075 1
1 132 . 8 1 1 A 23 23 GLY N N 53 109.702 109.850 -0.148 1
1 133 . 8 1 1 A 24 24 THR H H 54 8.436 8.221 0.215 1
1 134 . 8 1 1 A 24 24 THR HA H 54 4.500 4.095 0.405 1
1 139 . 8 1 1 A 24 24 THR N N 54 118.091 106.432 11.659 1
1 140 . 8 1 1 A 25 25 PRO HA H 55 3.884 4.603 -0.719 1
1 147 . 8 1 1 A 26 26 SER H H 56 8.916 9.068 -0.152 1
1 148 . 8 1 1 A 26 26 SER HA H 56 4.182 4.098 0.084 1
1 151 . 8 1 1 A 26 26 SER N N 56 119.151 120.088 -0.937 1
1 152 . 8 1 1 A 27 27 GLY H H 57 8.936 7.972 0.964 1
1 153 . 8 1 1 A 27 27 GLY HA2 H 57 3.705 3.942 -0.237 1
1 154 . 8 1 1 A 27 27 GLY HA3 H 57 3.875 3.942 -0.067 1
1 155 . 8 1 1 A 27 27 GLY N N 57 111.837 109.222 2.615 1
1 156 . 8 1 1 A 28 28 ARG H H 58 7.970 7.977 -0.007 1
1 157 . 8 1 1 A 28 28 ARG HA H 58 4.024 4.267 -0.243 1
1 164 . 8 1 1 A 28 28 ARG N N 58 120.058 119.471 0.587 1
1 165 . 8 1 1 A 29 29 ALA H H 59 8.507 7.734 0.773 1
1 166 . 8 1 1 A 29 29 ALA HA H 59 4.073 4.485 -0.412 1
1 170 . 8 1 1 A 29 29 ALA N N 59 125.094 120.066 5.028 1
1 171 . 8 1 1 A 30 30 ASN H H 60 8.497 8.938 -0.441 1
1 172 . 8 1 1 A 30 30 ASN HA H 60 4.372 4.684 -0.312 1
1 177 . 8 1 1 A 30 30 ASN N N 60 113.096 118.436 -5.340 1
1 178 . 8 1 1 A 31 31 ARG H H 61 7.205 7.501 -0.296 1
1 179 . 8 1 1 A 31 31 ARG HA H 61 4.885 4.418 0.467 1
1 186 . 8 1 1 A 31 31 ARG N N 61 116.323 120.358 -4.035 1
1 187 . 8 1 1 A 32 32 ARG H H 62 8.215 8.856 -0.641 1
1 188 . 8 1 1 A 32 32 ARG HA H 62 3.983 4.402 -0.419 1
1 195 . 8 1 1 A 32 32 ARG N N 62 121.556 123.114 -1.558 1
1 196 . 8 1 1 A 33 33 ALA H H 63 8.569 8.059 0.510 1
1 197 . 8 1 1 A 33 33 ALA HA H 63 3.979 4.085 -0.106 1
1 201 . 8 1 1 A 33 33 ALA N N 63 125.837 120.075 5.762 1
1 202 . 8 1 1 A 34 34 ASN H H 64 7.992 8.263 -0.271 1
1 203 . 8 1 1 A 34 34 ASN HA H 64 4.455 4.974 -0.519 1
1 208 . 8 1 1 A 34 34 ASN N N 64 112.193 112.850 -0.657 1
1 209 . 8 1 1 A 35 35 CYS H H 65 7.716 7.690 0.026 1
1 210 . 8 1 1 A 35 35 CYS HA H 65 4.579 4.653 -0.074 1
1 213 . 8 1 1 A 35 35 CYS N N 65 122.640 121.208 1.432 1
1 214 . 8 1 1 A 36 36 SER H H 66 9.392 8.920 0.472 1
1 215 . 8 1 1 A 36 36 SER HA H 66 4.764 4.540 0.224 1
1 218 . 8 1 1 A 36 36 SER N N 66 129.091 123.160 5.931 1
1 219 . 8 1 1 A 37 37 CYS H H 67 9.652 7.669 1.983 1
1 220 . 8 1 1 A 37 37 CYS HA H 67 3.926 4.570 -0.644 1
1 223 . 8 1 1 A 37 37 CYS N N 67 125.082 120.152 4.930 1
1 224 . 8 1 1 A 38 38 GLY H H 68 9.023 8.396 0.627 1
1 225 . 8 1 1 A 38 38 GLY HA2 H 68 3.754 4.176 -0.422 1
1 226 . 8 1 1 A 38 38 GLY HA3 H 68 4.221 4.177 0.044 1
1 227 . 8 1 1 A 38 38 GLY N N 68 109.840 111.343 -1.503 1
1 228 . 8 1 1 A 39 39 ALA H H 69 8.537 7.647 0.890 1
1 229 . 8 1 1 A 39 39 ALA HA H 69 3.726 4.721 -0.995 1
1 233 . 8 1 1 A 39 39 ALA N N 69 121.278 120.986 0.292 1
1 234 . 8 1 1 A 40 40 ALA H H 70 8.170 8.519 -0.349 1
1 235 . 8 1 1 A 40 40 ALA HA H 70 4.189 3.798 0.391 1
1 239 . 8 1 1 A 40 40 ALA N N 70 117.964 125.179 -7.215 1
1 240 . 8 1 1 A 41 41 CYS H H 71 6.933 7.912 -0.979 1
1 241 . 8 1 1 A 41 41 CYS HA H 71 3.880 4.563 -0.683 1
1 244 . 8 1 1 A 41 41 CYS N N 71 121.577 116.754 4.823 1
1 245 . 8 1 1 A 42 42 ASN H H 72 8.623 9.041 -0.418 1
1 246 . 8 1 1 A 42 42 ASN HA H 72 4.885 4.688 0.197 1
1 251 . 8 1 1 A 42 42 ASN N N 72 128.800 126.033 2.767 1
1 252 . 8 1 1 A 43 43 CYS H H 73 8.668 7.366 1.302 1
1 253 . 8 1 1 A 43 43 CYS HA H 73 4.035 4.220 -0.185 1
1 256 . 8 1 1 A 43 43 CYS N N 73 126.110 118.653 7.457 1
1 257 . 8 1 1 A 44 44 ALA H H 74 9.196 8.949 0.247 1
1 258 . 8 1 1 A 44 44 ALA HA H 74 4.099 4.018 0.081 1
1 262 . 8 1 1 A 44 44 ALA N N 74 133.819 131.227 2.592 1
1 263 . 8 1 1 A 45 45 SER H H 75 8.371 8.169 0.202 1
1 264 . 8 1 1 A 45 45 SER HA H 75 4.314 4.285 0.029 1
1 267 . 8 1 1 A 45 45 SER N N 75 116.040 112.377 3.663 1
1 268 . 8 1 1 A 46 46 CYS H H 76 8.221 8.139 0.082 1
1 269 . 8 1 1 A 46 46 CYS HA H 76 4.135 4.594 -0.459 1
1 272 . 8 1 1 A 46 46 CYS N N 76 122.567 117.681 4.886 1
1 273 . 8 1 1 A 47 47 GLY H H 77 7.514 8.127 -0.613 1
1 274 . 8 1 1 A 47 47 GLY HA2 H 77 3.727 3.967 -0.240 1
1 275 . 8 1 1 A 47 47 GLY HA3 H 77 4.206 3.968 0.238 1
1 276 . 8 1 1 A 47 47 GLY N N 77 105.830 109.909 -4.079 1
1 277 . 8 1 1 A 48 48 SER H H 78 7.451 7.934 -0.483 1
1 278 . 8 1 1 A 48 48 SER HA H 78 4.322 4.529 -0.207 1
1 281 . 8 1 1 A 48 48 SER N N 78 114.464 114.806 -0.342 1
1 282 . 8 1 1 A 49 49 ALA H H 79 8.245 8.722 -0.477 1
1 283 . 8 1 1 A 49 49 ALA HA H 79 4.197 4.407 -0.210 1
1 287 . 8 1 1 A 49 49 ALA N N 79 126.080 122.037 4.043 1
1 288 . 8 1 1 A 50 50 THR H H 80 7.999 8.004 -0.005 1
1 289 . 8 1 1 A 50 50 THR HA H 80 4.208 4.471 -0.263 1
1 294 . 8 1 1 A 50 50 THR N N 80 113.328 108.410 4.918 1
1 295 . 8 1 1 A 51 51 ALA H H 81 8.246 7.818 0.428 1
1 296 . 8 1 1 A 51 51 ALA HA H 81 4.507 4.276 0.231 1
1 300 . 8 1 1 A 51 51 ALA N N 81 128.270 122.685 5.585 1
1 301 . 8 1 1 A 52 52 PRO HA H 82 4.327 4.532 -0.205 1
1 5 . 9 1 1 A 2 2 GLU H H 32 8.239 8.354 -0.115 1
1 6 . 9 1 1 A 2 2 GLU HA H 32 4.219 5.123 -0.904 1
1 11 . 9 1 1 A 2 2 GLU N N 32 120.194 119.452 0.742 1
1 12 . 9 1 1 A 3 3 HIS H H 33 8.495 8.820 -0.325 1
1 13 . 9 1 1 A 3 3 HIS HA H 33 4.786 4.928 -0.142 1
1 18 . 9 1 1 A 3 3 HIS N N 33 118.099 118.033 0.066 1
1 19 . 9 1 1 A 4 4 THR H H 34 9.623 8.472 1.151 1
1 20 . 9 1 1 A 4 4 THR HA H 34 4.376 4.263 0.113 1
1 25 . 9 1 1 A 4 4 THR N N 34 123.055 116.825 6.230 1
1 26 . 9 1 1 A 5 5 THR H H 35 8.303 8.475 -0.172 1
1 27 . 9 1 1 A 5 5 THR HA H 35 4.567 4.849 -0.282 1
1 32 . 9 1 1 A 5 5 THR N N 35 112.573 116.655 -4.082 1
1 33 . 9 1 1 A 6 6 CYS H H 36 8.310 8.304 0.006 1
1 34 . 9 1 1 A 6 6 CYS HA H 36 4.044 4.725 -0.681 1
1 37 . 9 1 1 A 6 6 CYS N N 36 119.577 122.457 -2.880 1
1 38 . 9 1 1 A 7 7 GLY H H 37 9.375 8.795 0.580 1
1 39 . 9 1 1 A 7 7 GLY HA2 H 37 3.892 3.835 0.057 1
1 40 . 9 1 1 A 7 7 GLY HA3 H 37 3.974 3.837 0.137 1
1 41 . 9 1 1 A 7 7 GLY N N 37 123.215 113.445 9.770 1
1 42 . 9 1 1 A 8 8 CYS H H 38 7.181 7.675 -0.494 1
1 43 . 9 1 1 A 8 8 CYS HA H 38 4.507 4.387 0.120 1
1 46 . 9 1 1 A 8 8 CYS N N 38 117.576 118.437 -0.861 1
1 47 . 9 1 1 A 9 9 GLY H H 39 8.218 9.471 -1.253 1
1 48 . 9 1 1 A 9 9 GLY HA2 H 39 4.453 3.956 0.497 1
1 49 . 9 1 1 A 9 9 GLY HA3 H 39 4.453 3.962 0.491 1
1 50 . 9 1 1 A 9 9 GLY N N 39 111.592 111.473 0.119 1
1 51 . 9 1 1 A 10 10 GLU H H 40 8.189 7.526 0.663 1
1 52 . 9 1 1 A 10 10 GLU HA H 40 4.453 4.701 -0.248 1
1 57 . 9 1 1 A 10 10 GLU N N 40 122.585 118.204 4.381 1
1 58 . 9 1 1 A 11 11 HIS H H 41 9.047 8.625 0.422 1
1 59 . 9 1 1 A 11 11 HIS HA H 41 4.348 4.493 -0.145 1
1 64 . 9 1 1 A 11 11 HIS N N 41 123.245 124.592 -1.347 1
1 65 . 9 1 1 A 12 12 CYS H H 42 8.400 8.668 -0.268 1
1 66 . 9 1 1 A 12 12 CYS HA H 42 4.392 4.769 -0.377 1
1 69 . 9 1 1 A 12 12 CYS N N 42 125.049 121.112 3.937 1
1 70 . 9 1 1 A 13 13 GLY H H 43 8.437 8.718 -0.281 1
1 71 . 9 1 1 A 13 13 GLY HA2 H 43 3.724 3.852 -0.128 1
1 72 . 9 1 1 A 13 13 GLY HA3 H 43 3.827 3.857 -0.030 1
1 73 . 9 1 1 A 13 13 GLY N N 43 113.590 112.997 0.593 1
1 74 . 9 1 1 A 14 14 CYS H H 44 7.420 8.041 -0.621 1
1 75 . 9 1 1 A 14 14 CYS HA H 44 4.299 4.287 0.012 1
1 78 . 9 1 1 A 14 14 CYS N N 44 118.586 116.817 1.769 1
1 79 . 9 1 1 A 15 15 ASN H H 45 7.169 7.880 -0.711 1
1 80 . 9 1 1 A 15 15 ASN HA H 45 4.826 5.168 -0.342 1
1 85 . 9 1 1 A 15 15 ASN N N 45 120.140 119.296 0.844 1
1 86 . 9 1 1 A 16 16 PRO HA H 46 4.103 4.561 -0.458 1
1 93 . 9 1 1 A 17 17 CYS H H 47 8.576 8.186 0.390 1
1 94 . 9 1 1 A 17 17 CYS HA H 47 4.428 4.836 -0.408 1
1 97 . 9 1 1 A 17 17 CYS N N 47 124.271 118.097 6.174 1
1 98 . 9 1 1 A 18 18 ALA H H 48 8.960 8.663 0.297 1
1 99 . 9 1 1 A 18 18 ALA HA H 48 4.157 4.021 0.136 1
1 103 . 9 1 1 A 18 18 ALA N N 48 133.579 123.485 10.094 1
1 104 . 9 1 1 A 19 19 CYS H H 49 9.093 8.038 1.055 1
1 105 . 9 1 1 A 19 19 CYS HA H 49 4.413 4.735 -0.322 1
1 108 . 9 1 1 A 19 19 CYS N N 49 119.595 114.682 4.913 1
1 109 . 9 1 1 A 20 20 GLY H H 50 7.744 8.262 -0.518 1
1 110 . 9 1 1 A 20 20 GLY HA2 H 50 4.099 3.952 0.147 1
1 111 . 9 1 1 A 20 20 GLY HA3 H 50 3.748 3.973 -0.225 1
1 112 . 9 1 1 A 20 20 GLY N N 50 110.042 110.892 -0.850 1
1 113 . 9 1 1 A 21 21 ARG H H 51 8.368 7.595 0.773 1
1 114 . 9 1 1 A 21 21 ARG HA H 51 4.072 4.387 -0.315 1
1 121 . 9 1 1 A 21 21 ARG N N 51 123.936 122.116 1.820 1
1 122 . 9 1 1 A 22 22 GLU H H 52 8.479 8.847 -0.368 1
1 123 . 9 1 1 A 22 22 GLU HA H 52 4.270 5.069 -0.799 1
1 128 . 9 1 1 A 22 22 GLU N N 52 125.329 124.979 0.350 1
1 129 . 9 1 1 A 23 23 GLY H H 53 8.279 8.762 -0.483 1
1 130 . 9 1 1 A 23 23 GLY HA2 H 53 4.082 4.038 0.044 1
1 131 . 9 1 1 A 23 23 GLY HA3 H 53 3.834 4.045 -0.211 1
1 132 . 9 1 1 A 23 23 GLY N N 53 109.702 112.043 -2.341 1
1 133 . 9 1 1 A 24 24 THR H H 54 8.436 8.403 0.033 1
1 134 . 9 1 1 A 24 24 THR HA H 54 4.500 4.185 0.315 1
1 139 . 9 1 1 A 24 24 THR N N 54 118.091 114.554 3.537 1
1 140 . 9 1 1 A 25 25 PRO HA H 55 3.884 4.619 -0.735 1
1 147 . 9 1 1 A 26 26 SER H H 56 8.916 8.751 0.165 1
1 148 . 9 1 1 A 26 26 SER HA H 56 4.182 4.375 -0.193 1
1 151 . 9 1 1 A 26 26 SER N N 56 119.151 119.133 0.018 1
1 152 . 9 1 1 A 27 27 GLY H H 57 8.936 8.322 0.614 1
1 153 . 9 1 1 A 27 27 GLY HA2 H 57 3.705 3.830 -0.125 1
1 154 . 9 1 1 A 27 27 GLY HA3 H 57 3.875 3.831 0.044 1
1 155 . 9 1 1 A 27 27 GLY N N 57 111.837 112.923 -1.086 1
1 156 . 9 1 1 A 28 28 ARG H H 58 7.970 8.842 -0.872 1
1 157 . 9 1 1 A 28 28 ARG HA H 58 4.024 4.157 -0.133 1
1 164 . 9 1 1 A 28 28 ARG N N 58 120.058 119.313 0.745 1
1 165 . 9 1 1 A 29 29 ALA H H 59 8.507 7.523 0.984 1
1 166 . 9 1 1 A 29 29 ALA HA H 59 4.073 4.345 -0.272 1
1 170 . 9 1 1 A 29 29 ALA N N 59 125.094 121.167 3.927 1
1 171 . 9 1 1 A 30 30 ASN H H 60 8.497 8.123 0.374 1
1 172 . 9 1 1 A 30 30 ASN HA H 60 4.372 4.295 0.077 1
1 177 . 9 1 1 A 30 30 ASN N N 60 113.096 113.761 -0.665 1
1 178 . 9 1 1 A 31 31 ARG H H 61 7.205 7.842 -0.637 1
1 179 . 9 1 1 A 31 31 ARG HA H 61 4.885 4.606 0.279 1
1 186 . 9 1 1 A 31 31 ARG N N 61 116.323 118.462 -2.139 1
1 187 . 9 1 1 A 32 32 ARG H H 62 8.215 8.650 -0.435 1
1 188 . 9 1 1 A 32 32 ARG HA H 62 3.983 4.266 -0.283 1
1 195 . 9 1 1 A 32 32 ARG N N 62 121.556 122.602 -1.046 1
1 196 . 9 1 1 A 33 33 ALA H H 63 8.569 8.005 0.564 1
1 197 . 9 1 1 A 33 33 ALA HA H 63 3.979 4.148 -0.169 1
1 201 . 9 1 1 A 33 33 ALA N N 63 125.837 120.167 5.670 1
1 202 . 9 1 1 A 34 34 ASN H H 64 7.992 8.220 -0.228 1
1 203 . 9 1 1 A 34 34 ASN HA H 64 4.455 4.968 -0.513 1
1 208 . 9 1 1 A 34 34 ASN N N 64 112.193 112.955 -0.762 1
1 209 . 9 1 1 A 35 35 CYS H H 65 7.716 7.682 0.034 1
1 210 . 9 1 1 A 35 35 CYS HA H 65 4.579 4.645 -0.066 1
1 213 . 9 1 1 A 35 35 CYS N N 65 122.640 121.240 1.400 1
1 214 . 9 1 1 A 36 36 SER H H 66 9.392 8.773 0.619 1
1 215 . 9 1 1 A 36 36 SER HA H 66 4.764 4.634 0.130 1
1 218 . 9 1 1 A 36 36 SER N N 66 129.091 121.142 7.949 1
1 219 . 9 1 1 A 37 37 CYS H H 67 9.652 7.711 1.941 1
1 220 . 9 1 1 A 37 37 CYS HA H 67 3.926 4.557 -0.631 1
1 223 . 9 1 1 A 37 37 CYS N N 67 125.082 120.293 4.789 1
1 224 . 9 1 1 A 38 38 GLY H H 68 9.023 8.620 0.403 1
1 225 . 9 1 1 A 38 38 GLY HA2 H 68 3.754 4.060 -0.306 1
1 226 . 9 1 1 A 38 38 GLY HA3 H 68 4.221 4.060 0.161 1
1 227 . 9 1 1 A 38 38 GLY N N 68 109.840 112.292 -2.452 1
1 228 . 9 1 1 A 39 39 ALA H H 69 8.537 7.598 0.939 1
1 229 . 9 1 1 A 39 39 ALA HA H 69 3.726 4.190 -0.464 1
1 233 . 9 1 1 A 39 39 ALA N N 69 121.278 123.876 -2.598 1
1 234 . 9 1 1 A 40 40 ALA H H 70 8.170 8.878 -0.708 1
1 235 . 9 1 1 A 40 40 ALA HA H 70 4.189 3.819 0.370 1
1 239 . 9 1 1 A 40 40 ALA N N 70 117.964 123.234 -5.270 1
1 240 . 9 1 1 A 41 41 CYS H H 71 6.933 7.744 -0.811 1
1 241 . 9 1 1 A 41 41 CYS HA H 71 3.880 4.575 -0.695 1
1 244 . 9 1 1 A 41 41 CYS N N 71 121.577 116.758 4.819 1
1 245 . 9 1 1 A 42 42 ASN H H 72 8.623 8.691 -0.068 1
1 246 . 9 1 1 A 42 42 ASN HA H 72 4.885 4.535 0.350 1
1 251 . 9 1 1 A 42 42 ASN N N 72 128.800 123.228 5.572 1
1 252 . 9 1 1 A 43 43 CYS H H 73 8.668 7.342 1.326 1
1 253 . 9 1 1 A 43 43 CYS HA H 73 4.035 4.255 -0.220 1
1 256 . 9 1 1 A 43 43 CYS N N 73 126.110 119.547 6.563 1
1 257 . 9 1 1 A 44 44 ALA H H 74 9.196 8.902 0.294 1
1 258 . 9 1 1 A 44 44 ALA HA H 74 4.099 3.962 0.137 1
1 262 . 9 1 1 A 44 44 ALA N N 74 133.819 131.022 2.797 1
1 263 . 9 1 1 A 45 45 SER H H 75 8.371 8.108 0.263 1
1 264 . 9 1 1 A 45 45 SER HA H 75 4.314 4.229 0.085 1
1 267 . 9 1 1 A 45 45 SER N N 75 116.040 112.562 3.478 1
1 268 . 9 1 1 A 46 46 CYS H H 76 8.221 8.293 -0.072 1
1 269 . 9 1 1 A 46 46 CYS HA H 76 4.135 4.458 -0.323 1
1 272 . 9 1 1 A 46 46 CYS N N 76 122.567 117.426 5.141 1
1 273 . 9 1 1 A 47 47 GLY H H 77 7.514 7.905 -0.391 1
1 274 . 9 1 1 A 47 47 GLY HA2 H 77 3.727 3.897 -0.170 1
1 275 . 9 1 1 A 47 47 GLY HA3 H 77 4.206 3.898 0.308 1
1 276 . 9 1 1 A 47 47 GLY N N 77 105.830 109.816 -3.986 1
1 277 . 9 1 1 A 48 48 SER H H 78 7.451 8.439 -0.988 1
1 278 . 9 1 1 A 48 48 SER HA H 78 4.322 4.235 0.087 1
1 281 . 9 1 1 A 48 48 SER N N 78 114.464 108.493 5.971 1
1 282 . 9 1 1 A 49 49 ALA H H 79 8.245 7.937 0.308 1
1 283 . 9 1 1 A 49 49 ALA HA H 79 4.197 4.454 -0.257 1
1 287 . 9 1 1 A 49 49 ALA N N 79 126.080 122.723 3.357 1
1 288 . 9 1 1 A 50 50 THR H H 80 7.999 8.444 -0.445 1
1 289 . 9 1 1 A 50 50 THR HA H 80 4.208 4.820 -0.612 1
1 294 . 9 1 1 A 50 50 THR N N 80 113.328 116.450 -3.122 1
1 295 . 9 1 1 A 51 51 ALA H H 81 8.246 8.469 -0.223 1
1 296 . 9 1 1 A 51 51 ALA HA H 81 4.507 4.765 -0.258 1
1 300 . 9 1 1 A 51 51 ALA N N 81 128.270 125.222 3.048 1
1 301 . 9 1 1 A 52 52 PRO HA H 82 4.327 4.422 -0.095 1
1 5 . 10 1 1 A 2 2 GLU H H 32 8.239 7.970 0.269 1
1 6 . 10 1 1 A 2 2 GLU HA H 32 4.219 4.595 -0.376 1
1 11 . 10 1 1 A 2 2 GLU N N 32 120.194 119.753 0.441 1
1 12 . 10 1 1 A 3 3 HIS H H 33 8.495 8.735 -0.240 1
1 13 . 10 1 1 A 3 3 HIS HA H 33 4.786 4.704 0.082 1
1 18 . 10 1 1 A 3 3 HIS N N 33 118.099 119.639 -1.540 1
1 19 . 10 1 1 A 4 4 THR H H 34 9.623 8.549 1.074 1
1 20 . 10 1 1 A 4 4 THR HA H 34 4.376 4.310 0.066 1
1 25 . 10 1 1 A 4 4 THR N N 34 123.055 115.561 7.494 1
1 26 . 10 1 1 A 5 5 THR H H 35 8.303 8.475 -0.172 1
1 27 . 10 1 1 A 5 5 THR HA H 35 4.567 4.901 -0.334 1
1 32 . 10 1 1 A 5 5 THR N N 35 112.573 117.079 -4.506 1
1 33 . 10 1 1 A 6 6 CYS H H 36 8.310 8.840 -0.530 1
1 34 . 10 1 1 A 6 6 CYS HA H 36 4.044 4.703 -0.659 1
1 37 . 10 1 1 A 6 6 CYS N N 36 119.577 122.551 -2.974 1
1 38 . 10 1 1 A 7 7 GLY H H 37 9.375 8.660 0.715 1
1 39 . 10 1 1 A 7 7 GLY HA2 H 37 3.892 3.840 0.052 1
1 40 . 10 1 1 A 7 7 GLY HA3 H 37 3.974 3.842 0.132 1
1 41 . 10 1 1 A 7 7 GLY N N 37 123.215 111.767 11.448 1
1 42 . 10 1 1 A 8 8 CYS H H 38 7.181 7.648 -0.467 1
1 43 . 10 1 1 A 8 8 CYS HA H 38 4.507 4.445 0.062 1
1 46 . 10 1 1 A 8 8 CYS N N 38 117.576 116.291 1.285 1
1 47 . 10 1 1 A 9 9 GLY H H 39 8.218 9.393 -1.175 1
1 48 . 10 1 1 A 9 9 GLY HA2 H 39 4.453 3.905 0.548 1
1 49 . 10 1 1 A 9 9 GLY HA3 H 39 4.453 3.910 0.543 1
1 50 . 10 1 1 A 9 9 GLY N N 39 111.592 112.013 -0.421 1
1 51 . 10 1 1 A 10 10 GLU H H 40 8.189 7.263 0.926 1
1 52 . 10 1 1 A 10 10 GLU HA H 40 4.453 4.925 -0.472 1
1 57 . 10 1 1 A 10 10 GLU N N 40 122.585 116.639 5.946 1
1 58 . 10 1 1 A 11 11 HIS H H 41 9.047 8.820 0.227 1
1 59 . 10 1 1 A 11 11 HIS HA H 41 4.348 4.669 -0.321 1
1 64 . 10 1 1 A 11 11 HIS N N 41 123.245 121.449 1.796 1
1 65 . 10 1 1 A 12 12 CYS H H 42 8.400 8.593 -0.193 1
1 66 . 10 1 1 A 12 12 CYS HA H 42 4.392 4.833 -0.441 1
1 69 . 10 1 1 A 12 12 CYS N N 42 125.049 123.766 1.283 1
1 70 . 10 1 1 A 13 13 GLY H H 43 8.437 8.678 -0.241 1
1 71 . 10 1 1 A 13 13 GLY HA2 H 43 3.724 3.853 -0.129 1
1 72 . 10 1 1 A 13 13 GLY HA3 H 43 3.827 3.859 -0.032 1
1 73 . 10 1 1 A 13 13 GLY N N 43 113.590 112.765 0.825 1
1 74 . 10 1 1 A 14 14 CYS H H 44 7.420 8.031 -0.611 1
1 75 . 10 1 1 A 14 14 CYS HA H 44 4.299 4.297 0.002 1
1 78 . 10 1 1 A 14 14 CYS N N 44 118.586 116.981 1.605 1
1 79 . 10 1 1 A 15 15 ASN H H 45 7.169 7.655 -0.486 1
1 80 . 10 1 1 A 15 15 ASN HA H 45 4.826 5.157 -0.331 1
1 85 . 10 1 1 A 15 15 ASN N N 45 120.140 118.659 1.481 1
1 86 . 10 1 1 A 16 16 PRO HA H 46 4.103 4.704 -0.601 1
1 93 . 10 1 1 A 17 17 CYS H H 47 8.576 8.209 0.367 1
1 94 . 10 1 1 A 17 17 CYS HA H 47 4.428 4.769 -0.341 1
1 97 . 10 1 1 A 17 17 CYS N N 47 124.271 118.596 5.675 1
1 98 . 10 1 1 A 18 18 ALA H H 48 8.960 8.536 0.424 1
1 99 . 10 1 1 A 18 18 ALA HA H 48 4.157 4.005 0.152 1
1 103 . 10 1 1 A 18 18 ALA N N 48 133.579 123.319 10.260 1
1 104 . 10 1 1 A 19 19 CYS H H 49 9.093 7.954 1.139 1
1 105 . 10 1 1 A 19 19 CYS HA H 49 4.413 4.683 -0.270 1
1 108 . 10 1 1 A 19 19 CYS N N 49 119.595 114.575 5.020 1
1 109 . 10 1 1 A 20 20 GLY H H 50 7.744 8.338 -0.594 1
1 110 . 10 1 1 A 20 20 GLY HA2 H 50 4.099 3.946 0.153 1
1 111 . 10 1 1 A 20 20 GLY HA3 H 50 3.748 3.956 -0.208 1
1 112 . 10 1 1 A 20 20 GLY N N 50 110.042 110.630 -0.588 1
1 113 . 10 1 1 A 21 21 ARG H H 51 8.368 7.987 0.381 1
1 114 . 10 1 1 A 21 21 ARG HA H 51 4.072 4.382 -0.310 1
1 121 . 10 1 1 A 21 21 ARG N N 51 123.936 122.360 1.576 1
1 122 . 10 1 1 A 22 22 GLU H H 52 8.479 8.906 -0.427 1
1 123 . 10 1 1 A 22 22 GLU HA H 52 4.270 5.113 -0.843 1
1 128 . 10 1 1 A 22 22 GLU N N 52 125.329 122.672 2.657 1
1 129 . 10 1 1 A 23 23 GLY H H 53 8.279 8.702 -0.423 1
1 130 . 10 1 1 A 23 23 GLY HA2 H 53 4.082 4.033 0.049 1
1 131 . 10 1 1 A 23 23 GLY HA3 H 53 3.834 4.040 -0.206 1
1 132 . 10 1 1 A 23 23 GLY N N 53 109.702 109.880 -0.178 1
1 133 . 10 1 1 A 24 24 THR H H 54 8.436 8.434 0.002 1
1 134 . 10 1 1 A 24 24 THR HA H 54 4.500 4.171 0.329 1
1 139 . 10 1 1 A 24 24 THR N N 54 118.091 114.320 3.771 1
1 140 . 10 1 1 A 25 25 PRO HA H 55 3.884 4.447 -0.563 1
1 147 . 10 1 1 A 26 26 SER H H 56 8.916 8.512 0.404 1
1 148 . 10 1 1 A 26 26 SER HA H 56 4.182 4.403 -0.221 1
1 151 . 10 1 1 A 26 26 SER N N 56 119.151 119.299 -0.148 1
1 152 . 10 1 1 A 27 27 GLY H H 57 8.936 8.406 0.530 1
1 153 . 10 1 1 A 27 27 GLY HA2 H 57 3.705 3.872 -0.167 1
1 154 . 10 1 1 A 27 27 GLY HA3 H 57 3.875 3.872 0.003 1
1 155 . 10 1 1 A 27 27 GLY N N 57 111.837 113.333 -1.496 1
1 156 . 10 1 1 A 28 28 ARG H H 58 7.970 8.427 -0.457 1
1 157 . 10 1 1 A 28 28 ARG HA H 58 4.024 4.552 -0.528 1
1 164 . 10 1 1 A 28 28 ARG N N 58 120.058 118.878 1.180 1
1 165 . 10 1 1 A 29 29 ALA H H 59 8.507 7.371 1.136 1
1 166 . 10 1 1 A 29 29 ALA HA H 59 4.073 4.451 -0.378 1
1 170 . 10 1 1 A 29 29 ALA N N 59 125.094 119.258 5.836 1
1 171 . 10 1 1 A 30 30 ASN H H 60 8.497 8.890 -0.393 1
1 172 . 10 1 1 A 30 30 ASN HA H 60 4.372 4.633 -0.261 1
1 177 . 10 1 1 A 30 30 ASN N N 60 113.096 117.298 -4.202 1
1 178 . 10 1 1 A 31 31 ARG H H 61 7.205 7.725 -0.520 1
1 179 . 10 1 1 A 31 31 ARG HA H 61 4.885 4.499 0.386 1
1 186 . 10 1 1 A 31 31 ARG N N 61 116.323 119.865 -3.542 1
1 187 . 10 1 1 A 32 32 ARG H H 62 8.215 8.777 -0.562 1
1 188 . 10 1 1 A 32 32 ARG HA H 62 3.983 4.338 -0.355 1
1 195 . 10 1 1 A 32 32 ARG N N 62 121.556 122.049 -0.493 1
1 196 . 10 1 1 A 33 33 ALA H H 63 8.569 8.052 0.517 1
1 197 . 10 1 1 A 33 33 ALA HA H 63 3.979 4.133 -0.154 1
1 201 . 10 1 1 A 33 33 ALA N N 63 125.837 119.941 5.896 1
1 202 . 10 1 1 A 34 34 ASN H H 64 7.992 8.254 -0.262 1
1 203 . 10 1 1 A 34 34 ASN HA H 64 4.455 5.157 -0.702 1
1 208 . 10 1 1 A 34 34 ASN N N 64 112.193 112.892 -0.699 1
1 209 . 10 1 1 A 35 35 CYS H H 65 7.716 7.697 0.019 1
1 210 . 10 1 1 A 35 35 CYS HA H 65 4.579 4.572 0.007 1
1 213 . 10 1 1 A 35 35 CYS N N 65 122.640 121.397 1.243 1
1 214 . 10 1 1 A 36 36 SER H H 66 9.392 8.875 0.517 1
1 215 . 10 1 1 A 36 36 SER HA H 66 4.764 4.532 0.232 1
1 218 . 10 1 1 A 36 36 SER N N 66 129.091 122.014 7.077 1
1 219 . 10 1 1 A 37 37 CYS H H 67 9.652 7.736 1.916 1
1 220 . 10 1 1 A 37 37 CYS HA H 67 3.926 4.591 -0.665 1
1 223 . 10 1 1 A 37 37 CYS N N 67 125.082 122.075 3.007 1
1 224 . 10 1 1 A 38 38 GLY H H 68 9.023 8.430 0.593 1
1 225 . 10 1 1 A 38 38 GLY HA2 H 68 3.754 4.332 -0.578 1
1 226 . 10 1 1 A 38 38 GLY HA3 H 68 4.221 4.332 -0.111 1
1 227 . 10 1 1 A 38 38 GLY N N 68 109.840 108.683 1.157 1
1 228 . 10 1 1 A 39 39 ALA H H 69 8.537 8.908 -0.371 1
1 229 . 10 1 1 A 39 39 ALA HA H 69 3.726 4.061 -0.335 1
1 233 . 10 1 1 A 39 39 ALA N N 69 121.278 121.915 -0.637 1
1 234 . 10 1 1 A 40 40 ALA H H 70 8.170 7.720 0.450 1
1 235 . 10 1 1 A 40 40 ALA HA H 70 4.189 4.370 -0.181 1
1 239 . 10 1 1 A 40 40 ALA N N 70 117.964 118.110 -0.146 1
1 240 . 10 1 1 A 41 41 CYS H H 71 6.933 8.051 -1.118 1
1 241 . 10 1 1 A 41 41 CYS HA H 71 3.880 4.663 -0.783 1
1 244 . 10 1 1 A 41 41 CYS N N 71 121.577 120.789 0.788 1
1 245 . 10 1 1 A 42 42 ASN H H 72 8.623 8.669 -0.046 1
1 246 . 10 1 1 A 42 42 ASN HA H 72 4.885 4.821 0.064 1
1 251 . 10 1 1 A 42 42 ASN N N 72 128.800 123.798 5.002 1
1 252 . 10 1 1 A 43 43 CYS H H 73 8.668 7.282 1.386 1
1 253 . 10 1 1 A 43 43 CYS HA H 73 4.035 4.256 -0.221 1
1 256 . 10 1 1 A 43 43 CYS N N 73 126.110 119.839 6.271 1
1 257 . 10 1 1 A 44 44 ALA H H 74 9.196 8.923 0.273 1
1 258 . 10 1 1 A 44 44 ALA HA H 74 4.099 3.990 0.109 1
1 262 . 10 1 1 A 44 44 ALA N N 74 133.819 131.481 2.338 1
1 263 . 10 1 1 A 45 45 SER H H 75 8.371 8.176 0.195 1
1 264 . 10 1 1 A 45 45 SER HA H 75 4.314 4.106 0.208 1
1 267 . 10 1 1 A 45 45 SER N N 75 116.040 112.582 3.458 1
1 268 . 10 1 1 A 46 46 CYS H H 76 8.221 8.133 0.088 1
1 269 . 10 1 1 A 46 46 CYS HA H 76 4.135 4.407 -0.272 1
1 272 . 10 1 1 A 46 46 CYS N N 76 122.567 118.277 4.290 1
1 273 . 10 1 1 A 47 47 GLY H H 77 7.514 8.155 -0.641 1
1 274 . 10 1 1 A 47 47 GLY HA2 H 77 3.727 3.735 -0.008 1
1 275 . 10 1 1 A 47 47 GLY HA3 H 77 4.206 3.736 0.470 1
1 276 . 10 1 1 A 47 47 GLY N N 77 105.830 109.878 -4.048 1
1 277 . 10 1 1 A 48 48 SER H H 78 7.451 7.807 -0.356 1
1 278 . 10 1 1 A 48 48 SER HA H 78 4.322 4.297 0.025 1
1 281 . 10 1 1 A 48 48 SER N N 78 114.464 118.061 -3.597 1
1 282 . 10 1 1 A 49 49 ALA H H 79 8.245 7.350 0.895 1
1 283 . 10 1 1 A 49 49 ALA HA H 79 4.197 4.277 -0.080 1
1 287 . 10 1 1 A 49 49 ALA N N 79 126.080 121.507 4.573 1
1 288 . 10 1 1 A 50 50 THR H H 80 7.999 8.115 -0.116 1
1 289 . 10 1 1 A 50 50 THR HA H 80 4.208 4.034 0.174 1
1 294 . 10 1 1 A 50 50 THR N N 80 113.328 111.821 1.507 1
1 295 . 10 1 1 A 51 51 ALA H H 81 8.246 7.659 0.587 1
1 296 . 10 1 1 A 51 51 ALA HA H 81 4.507 4.695 -0.188 1
1 300 . 10 1 1 A 51 51 ALA N N 81 128.270 120.774 7.496 1
1 301 . 10 1 1 A 52 52 PRO HA H 82 4.327 4.575 -0.248 1
1 5 . 11 1 1 A 2 2 GLU H H 32 8.239 8.276 -0.037 1
1 6 . 11 1 1 A 2 2 GLU HA H 32 4.219 4.382 -0.163 1
1 11 . 11 1 1 A 2 2 GLU N N 32 120.194 122.481 -2.287 1
1 12 . 11 1 1 A 3 3 HIS H H 33 8.495 8.549 -0.054 1
1 13 . 11 1 1 A 3 3 HIS HA H 33 4.786 5.100 -0.314 1
1 18 . 11 1 1 A 3 3 HIS N N 33 118.099 117.483 0.616 1
1 19 . 11 1 1 A 4 4 THR H H 34 9.623 8.460 1.163 1
1 20 . 11 1 1 A 4 4 THR HA H 34 4.376 4.205 0.171 1
1 25 . 11 1 1 A 4 4 THR N N 34 123.055 116.402 6.653 1
1 26 . 11 1 1 A 5 5 THR H H 35 8.303 8.370 -0.067 1
1 27 . 11 1 1 A 5 5 THR HA H 35 4.567 4.870 -0.303 1
1 32 . 11 1 1 A 5 5 THR N N 35 112.573 116.859 -4.286 1
1 33 . 11 1 1 A 6 6 CYS H H 36 8.310 8.898 -0.588 1
1 34 . 11 1 1 A 6 6 CYS HA H 36 4.044 4.763 -0.719 1
1 37 . 11 1 1 A 6 6 CYS N N 36 119.577 122.156 -2.579 1
1 38 . 11 1 1 A 7 7 GLY H H 37 9.375 8.676 0.699 1
1 39 . 11 1 1 A 7 7 GLY HA2 H 37 3.892 3.819 0.073 1
1 40 . 11 1 1 A 7 7 GLY HA3 H 37 3.974 3.822 0.152 1
1 41 . 11 1 1 A 7 7 GLY N N 37 123.215 111.718 11.497 1
1 42 . 11 1 1 A 8 8 CYS H H 38 7.181 7.672 -0.491 1
1 43 . 11 1 1 A 8 8 CYS HA H 38 4.507 4.401 0.106 1
1 46 . 11 1 1 A 8 8 CYS N N 38 117.576 118.462 -0.886 1
1 47 . 11 1 1 A 9 9 GLY H H 39 8.218 9.488 -1.270 1
1 48 . 11 1 1 A 9 9 GLY HA2 H 39 4.453 3.917 0.536 1
1 49 . 11 1 1 A 9 9 GLY HA3 H 39 4.453 3.925 0.528 1
1 50 . 11 1 1 A 9 9 GLY N N 39 111.592 111.817 -0.225 1
1 51 . 11 1 1 A 10 10 GLU H H 40 8.189 7.265 0.924 1
1 52 . 11 1 1 A 10 10 GLU HA H 40 4.453 4.922 -0.469 1
1 57 . 11 1 1 A 10 10 GLU N N 40 122.585 118.766 3.819 1
1 58 . 11 1 1 A 11 11 HIS H H 41 9.047 8.777 0.270 1
1 59 . 11 1 1 A 11 11 HIS HA H 41 4.348 4.637 -0.289 1
1 64 . 11 1 1 A 11 11 HIS N N 41 123.245 123.384 -0.139 1
1 65 . 11 1 1 A 12 12 CYS H H 42 8.400 8.514 -0.114 1
1 66 . 11 1 1 A 12 12 CYS HA H 42 4.392 4.966 -0.574 1
1 69 . 11 1 1 A 12 12 CYS N N 42 125.049 123.966 1.083 1
1 70 . 11 1 1 A 13 13 GLY H H 43 8.437 8.895 -0.458 1
1 71 . 11 1 1 A 13 13 GLY HA2 H 43 3.724 3.843 -0.119 1
1 72 . 11 1 1 A 13 13 GLY HA3 H 43 3.827 3.848 -0.021 1
1 73 . 11 1 1 A 13 13 GLY N N 43 113.590 112.342 1.248 1
1 74 . 11 1 1 A 14 14 CYS H H 44 7.420 8.033 -0.613 1
1 75 . 11 1 1 A 14 14 CYS HA H 44 4.299 4.268 0.031 1
1 78 . 11 1 1 A 14 14 CYS N N 44 118.586 117.435 1.151 1
1 79 . 11 1 1 A 15 15 ASN H H 45 7.169 7.530 -0.361 1
1 80 . 11 1 1 A 15 15 ASN HA H 45 4.826 5.166 -0.340 1
1 85 . 11 1 1 A 15 15 ASN N N 45 120.140 119.126 1.014 1
1 86 . 11 1 1 A 16 16 PRO HA H 46 4.103 4.585 -0.482 1
1 93 . 11 1 1 A 17 17 CYS H H 47 8.576 8.215 0.361 1
1 94 . 11 1 1 A 17 17 CYS HA H 47 4.428 4.859 -0.431 1
1 97 . 11 1 1 A 17 17 CYS N N 47 124.271 118.627 5.644 1
1 98 . 11 1 1 A 18 18 ALA H H 48 8.960 8.719 0.241 1
1 99 . 11 1 1 A 18 18 ALA HA H 48 4.157 4.047 0.110 1
1 103 . 11 1 1 A 18 18 ALA N N 48 133.579 123.504 10.075 1
1 104 . 11 1 1 A 19 19 CYS H H 49 9.093 8.035 1.058 1
1 105 . 11 1 1 A 19 19 CYS HA H 49 4.413 4.697 -0.284 1
1 108 . 11 1 1 A 19 19 CYS N N 49 119.595 114.689 4.906 1
1 109 . 11 1 1 A 20 20 GLY H H 50 7.744 8.414 -0.670 1
1 110 . 11 1 1 A 20 20 GLY HA2 H 50 4.099 3.969 0.130 1
1 111 . 11 1 1 A 20 20 GLY HA3 H 50 3.748 3.982 -0.234 1
1 112 . 11 1 1 A 20 20 GLY N N 50 110.042 110.870 -0.828 1
1 113 . 11 1 1 A 21 21 ARG H H 51 8.368 7.618 0.750 1
1 114 . 11 1 1 A 21 21 ARG HA H 51 4.072 4.372 -0.300 1
1 121 . 11 1 1 A 21 21 ARG N N 51 123.936 122.512 1.424 1
1 122 . 11 1 1 A 22 22 GLU H H 52 8.479 9.008 -0.529 1
1 123 . 11 1 1 A 22 22 GLU HA H 52 4.270 5.002 -0.732 1
1 128 . 11 1 1 A 22 22 GLU N N 52 125.329 124.248 1.081 1
1 129 . 11 1 1 A 23 23 GLY H H 53 8.279 8.752 -0.473 1
1 130 . 11 1 1 A 23 23 GLY HA2 H 53 4.082 4.102 -0.020 1
1 131 . 11 1 1 A 23 23 GLY HA3 H 53 3.834 4.111 -0.277 1
1 132 . 11 1 1 A 23 23 GLY N N 53 109.702 109.993 -0.291 1
1 133 . 11 1 1 A 24 24 THR H H 54 8.436 8.391 0.045 1
1 134 . 11 1 1 A 24 24 THR HA H 54 4.500 4.343 0.157 1
1 139 . 11 1 1 A 24 24 THR N N 54 118.091 114.338 3.753 1
1 140 . 11 1 1 A 25 25 PRO HA H 55 3.884 4.718 -0.834 1
1 147 . 11 1 1 A 26 26 SER H H 56 8.916 8.287 0.629 1
1 148 . 11 1 1 A 26 26 SER HA H 56 4.182 4.385 -0.203 1
1 151 . 11 1 1 A 26 26 SER N N 56 119.151 117.168 1.983 1
1 152 . 11 1 1 A 27 27 GLY H H 57 8.936 8.403 0.533 1
1 153 . 11 1 1 A 27 27 GLY HA2 H 57 3.705 3.902 -0.197 1
1 154 . 11 1 1 A 27 27 GLY HA3 H 57 3.875 3.902 -0.027 1
1 155 . 11 1 1 A 27 27 GLY N N 57 111.837 113.507 -1.670 1
1 156 . 11 1 1 A 28 28 ARG H H 58 7.970 8.026 -0.056 1
1 157 . 11 1 1 A 28 28 ARG HA H 58 4.024 4.250 -0.226 1
1 164 . 11 1 1 A 28 28 ARG N N 58 120.058 117.017 3.041 1
1 165 . 11 1 1 A 29 29 ALA H H 59 8.507 7.504 1.003 1
1 166 . 11 1 1 A 29 29 ALA HA H 59 4.073 4.563 -0.490 1
1 170 . 11 1 1 A 29 29 ALA N N 59 125.094 120.478 4.616 1
1 171 . 11 1 1 A 30 30 ASN H H 60 8.497 8.511 -0.014 1
1 172 . 11 1 1 A 30 30 ASN HA H 60 4.372 4.699 -0.327 1
1 177 . 11 1 1 A 30 30 ASN N N 60 113.096 116.626 -3.530 1
1 178 . 11 1 1 A 31 31 ARG H H 61 7.205 7.544 -0.339 1
1 179 . 11 1 1 A 31 31 ARG HA H 61 4.885 4.453 0.432 1
1 186 . 11 1 1 A 31 31 ARG N N 61 116.323 118.767 -2.444 1
1 187 . 11 1 1 A 32 32 ARG H H 62 8.215 8.837 -0.622 1
1 188 . 11 1 1 A 32 32 ARG HA H 62 3.983 4.351 -0.368 1
1 195 . 11 1 1 A 32 32 ARG N N 62 121.556 123.023 -1.467 1
1 196 . 11 1 1 A 33 33 ALA H H 63 8.569 8.085 0.484 1
1 197 . 11 1 1 A 33 33 ALA HA H 63 3.979 4.131 -0.152 1
1 201 . 11 1 1 A 33 33 ALA N N 63 125.837 119.898 5.939 1
1 202 . 11 1 1 A 34 34 ASN H H 64 7.992 8.175 -0.183 1
1 203 . 11 1 1 A 34 34 ASN HA H 64 4.455 4.901 -0.446 1
1 208 . 11 1 1 A 34 34 ASN N N 64 112.193 113.823 -1.630 1
1 209 . 11 1 1 A 35 35 CYS H H 65 7.716 7.632 0.084 1
1 210 . 11 1 1 A 35 35 CYS HA H 65 4.579 4.800 -0.221 1
1 213 . 11 1 1 A 35 35 CYS N N 65 122.640 121.396 1.244 1
1 214 . 11 1 1 A 36 36 SER H H 66 9.392 8.849 0.543 1
1 215 . 11 1 1 A 36 36 SER HA H 66 4.764 4.485 0.279 1
1 218 . 11 1 1 A 36 36 SER N N 66 129.091 121.010 8.081 1
1 219 . 11 1 1 A 37 37 CYS H H 67 9.652 7.723 1.929 1
1 220 . 11 1 1 A 37 37 CYS HA H 67 3.926 4.384 -0.458 1
1 223 . 11 1 1 A 37 37 CYS N N 67 125.082 121.924 3.158 1
1 224 . 11 1 1 A 38 38 GLY H H 68 9.023 8.347 0.676 1
1 225 . 11 1 1 A 38 38 GLY HA2 H 68 3.754 4.165 -0.411 1
1 226 . 11 1 1 A 38 38 GLY HA3 H 68 4.221 4.166 0.055 1
1 227 . 11 1 1 A 38 38 GLY N N 68 109.840 111.261 -1.421 1
1 228 . 11 1 1 A 39 39 ALA H H 69 8.537 7.843 0.694 1
1 229 . 11 1 1 A 39 39 ALA HA H 69 3.726 4.463 -0.737 1
1 233 . 11 1 1 A 39 39 ALA N N 69 121.278 124.050 -2.772 1
1 234 . 11 1 1 A 40 40 ALA H H 70 8.170 8.197 -0.027 1
1 235 . 11 1 1 A 40 40 ALA HA H 70 4.189 3.931 0.258 1
1 239 . 11 1 1 A 40 40 ALA N N 70 117.964 120.840 -2.876 1
1 240 . 11 1 1 A 41 41 CYS H H 71 6.933 8.145 -1.212 1
1 241 . 11 1 1 A 41 41 CYS HA H 71 3.880 4.742 -0.862 1
1 244 . 11 1 1 A 41 41 CYS N N 71 121.577 117.765 3.812 1
1 245 . 11 1 1 A 42 42 ASN H H 72 8.623 9.052 -0.429 1
1 246 . 11 1 1 A 42 42 ASN HA H 72 4.885 4.820 0.065 1
1 251 . 11 1 1 A 42 42 ASN N N 72 128.800 126.237 2.563 1
1 252 . 11 1 1 A 43 43 CYS H H 73 8.668 7.261 1.407 1
1 253 . 11 1 1 A 43 43 CYS HA H 73 4.035 4.221 -0.186 1
1 256 . 11 1 1 A 43 43 CYS N N 73 126.110 119.533 6.577 1
1 257 . 11 1 1 A 44 44 ALA H H 74 9.196 8.879 0.317 1
1 258 . 11 1 1 A 44 44 ALA HA H 74 4.099 3.984 0.115 1
1 262 . 11 1 1 A 44 44 ALA N N 74 133.819 131.481 2.338 1
1 263 . 11 1 1 A 45 45 SER H H 75 8.371 8.124 0.247 1
1 264 . 11 1 1 A 45 45 SER HA H 75 4.314 4.249 0.065 1
1 267 . 11 1 1 A 45 45 SER N N 75 116.040 112.397 3.643 1
1 268 . 11 1 1 A 46 46 CYS H H 76 8.221 8.022 0.199 1
1 269 . 11 1 1 A 46 46 CYS HA H 76 4.135 4.361 -0.226 1
1 272 . 11 1 1 A 46 46 CYS N N 76 122.567 119.247 3.320 1
1 273 . 11 1 1 A 47 47 GLY H H 77 7.514 8.512 -0.998 1
1 274 . 11 1 1 A 47 47 GLY HA2 H 77 3.727 3.945 -0.218 1
1 275 . 11 1 1 A 47 47 GLY HA3 H 77 4.206 3.946 0.260 1
1 276 . 11 1 1 A 47 47 GLY N N 77 105.830 109.966 -4.136 1
1 277 . 11 1 1 A 48 48 SER H H 78 7.451 7.976 -0.525 1
1 278 . 11 1 1 A 48 48 SER HA H 78 4.322 4.680 -0.358 1
1 281 . 11 1 1 A 48 48 SER N N 78 114.464 116.059 -1.595 1
1 282 . 11 1 1 A 49 49 ALA H H 79 8.245 8.650 -0.405 1
1 283 . 11 1 1 A 49 49 ALA HA H 79 4.197 4.663 -0.466 1
1 287 . 11 1 1 A 49 49 ALA N N 79 126.080 125.640 0.440 1
1 288 . 11 1 1 A 50 50 THR H H 80 7.999 7.806 0.193 1
1 289 . 11 1 1 A 50 50 THR HA H 80 4.208 4.571 -0.363 1
1 294 . 11 1 1 A 50 50 THR N N 80 113.328 107.591 5.737 1
1 295 . 11 1 1 A 51 51 ALA H H 81 8.246 7.779 0.467 1
1 296 . 11 1 1 A 51 51 ALA HA H 81 4.507 4.395 0.112 1
1 300 . 11 1 1 A 51 51 ALA N N 81 128.270 124.360 3.910 1
1 301 . 11 1 1 A 52 52 PRO HA H 82 4.327 4.757 -0.430 1
1 5 . 12 1 1 A 2 2 GLU H H 32 8.239 8.227 0.012 1
1 6 . 12 1 1 A 2 2 GLU HA H 32 4.219 5.020 -0.801 1
1 11 . 12 1 1 A 2 2 GLU N N 32 120.194 121.598 -1.404 1
1 12 . 12 1 1 A 3 3 HIS H H 33 8.495 8.617 -0.122 1
1 13 . 12 1 1 A 3 3 HIS HA H 33 4.786 4.852 -0.066 1
1 18 . 12 1 1 A 3 3 HIS N N 33 118.099 118.796 -0.697 1
1 19 . 12 1 1 A 4 4 THR H H 34 9.623 8.441 1.182 1
1 20 . 12 1 1 A 4 4 THR HA H 34 4.376 4.267 0.109 1
1 25 . 12 1 1 A 4 4 THR N N 34 123.055 116.154 6.901 1
1 26 . 12 1 1 A 5 5 THR H H 35 8.303 8.432 -0.129 1
1 27 . 12 1 1 A 5 5 THR HA H 35 4.567 4.946 -0.379 1
1 32 . 12 1 1 A 5 5 THR N N 35 112.573 116.726 -4.153 1
1 33 . 12 1 1 A 6 6 CYS H H 36 8.310 8.849 -0.539 1
1 34 . 12 1 1 A 6 6 CYS HA H 36 4.044 4.659 -0.615 1
1 37 . 12 1 1 A 6 6 CYS N N 36 119.577 122.486 -2.909 1
1 38 . 12 1 1 A 7 7 GLY H H 37 9.375 8.785 0.590 1
1 39 . 12 1 1 A 7 7 GLY HA2 H 37 3.892 3.819 0.073 1
1 40 . 12 1 1 A 7 7 GLY HA3 H 37 3.974 3.821 0.153 1
1 41 . 12 1 1 A 7 7 GLY N N 37 123.215 112.652 10.563 1
1 42 . 12 1 1 A 8 8 CYS H H 38 7.181 7.676 -0.495 1
1 43 . 12 1 1 A 8 8 CYS HA H 38 4.507 4.393 0.114 1
1 46 . 12 1 1 A 8 8 CYS N N 38 117.576 118.496 -0.920 1
1 47 . 12 1 1 A 9 9 GLY H H 39 8.218 9.447 -1.229 1
1 48 . 12 1 1 A 9 9 GLY HA2 H 39 4.453 3.923 0.530 1
1 49 . 12 1 1 A 9 9 GLY HA3 H 39 4.453 3.927 0.526 1
1 50 . 12 1 1 A 9 9 GLY N N 39 111.592 111.592 0.000 1
1 51 . 12 1 1 A 10 10 GLU H H 40 8.189 7.400 0.789 1
1 52 . 12 1 1 A 10 10 GLU HA H 40 4.453 4.932 -0.479 1
1 57 . 12 1 1 A 10 10 GLU N N 40 122.585 118.522 4.063 1
1 58 . 12 1 1 A 11 11 HIS H H 41 9.047 8.778 0.269 1
1 59 . 12 1 1 A 11 11 HIS HA H 41 4.348 4.661 -0.313 1
1 64 . 12 1 1 A 11 11 HIS N N 41 123.245 123.879 -0.634 1
1 65 . 12 1 1 A 12 12 CYS H H 42 8.400 8.514 -0.114 1
1 66 . 12 1 1 A 12 12 CYS HA H 42 4.392 4.820 -0.428 1
1 69 . 12 1 1 A 12 12 CYS N N 42 125.049 123.383 1.666 1
1 70 . 12 1 1 A 13 13 GLY H H 43 8.437 9.134 -0.697 1
1 71 . 12 1 1 A 13 13 GLY HA2 H 43 3.724 3.847 -0.123 1
1 72 . 12 1 1 A 13 13 GLY HA3 H 43 3.827 3.850 -0.023 1
1 73 . 12 1 1 A 13 13 GLY N N 43 113.590 112.537 1.053 1
1 74 . 12 1 1 A 14 14 CYS H H 44 7.420 8.036 -0.616 1
1 75 . 12 1 1 A 14 14 CYS HA H 44 4.299 4.289 0.010 1
1 78 . 12 1 1 A 14 14 CYS N N 44 118.586 117.030 1.556 1
1 79 . 12 1 1 A 15 15 ASN H H 45 7.169 7.656 -0.487 1
1 80 . 12 1 1 A 15 15 ASN HA H 45 4.826 5.167 -0.341 1
1 85 . 12 1 1 A 15 15 ASN N N 45 120.140 119.358 0.782 1
1 86 . 12 1 1 A 16 16 PRO HA H 46 4.103 4.467 -0.364 1
1 93 . 12 1 1 A 17 17 CYS H H 47 8.576 8.226 0.350 1
1 94 . 12 1 1 A 17 17 CYS HA H 47 4.428 4.794 -0.366 1
1 97 . 12 1 1 A 17 17 CYS N N 47 124.271 118.782 5.489 1
1 98 . 12 1 1 A 18 18 ALA H H 48 8.960 8.581 0.379 1
1 99 . 12 1 1 A 18 18 ALA HA H 48 4.157 4.025 0.132 1
1 103 . 12 1 1 A 18 18 ALA N N 48 133.579 123.147 10.432 1
1 104 . 12 1 1 A 19 19 CYS H H 49 9.093 8.100 0.993 1
1 105 . 12 1 1 A 19 19 CYS HA H 49 4.413 4.595 -0.182 1
1 108 . 12 1 1 A 19 19 CYS N N 49 119.595 114.509 5.086 1
1 109 . 12 1 1 A 20 20 GLY H H 50 7.744 8.309 -0.565 1
1 110 . 12 1 1 A 20 20 GLY HA2 H 50 4.099 3.958 0.141 1
1 111 . 12 1 1 A 20 20 GLY HA3 H 50 3.748 3.965 -0.217 1
1 112 . 12 1 1 A 20 20 GLY N N 50 110.042 110.806 -0.764 1
1 113 . 12 1 1 A 21 21 ARG H H 51 8.368 7.932 0.436 1
1 114 . 12 1 1 A 21 21 ARG HA H 51 4.072 4.569 -0.497 1
1 121 . 12 1 1 A 21 21 ARG N N 51 123.936 122.002 1.934 1
1 122 . 12 1 1 A 22 22 GLU H H 52 8.479 9.062 -0.583 1
1 123 . 12 1 1 A 22 22 GLU HA H 52 4.270 5.100 -0.830 1
1 128 . 12 1 1 A 22 22 GLU N N 52 125.329 123.054 2.275 1
1 129 . 12 1 1 A 23 23 GLY H H 53 8.279 8.729 -0.450 1
1 130 . 12 1 1 A 23 23 GLY HA2 H 53 4.082 4.042 0.040 1
1 131 . 12 1 1 A 23 23 GLY HA3 H 53 3.834 4.048 -0.214 1
1 132 . 12 1 1 A 23 23 GLY N N 53 109.702 109.823 -0.121 1
1 133 . 12 1 1 A 24 24 THR H H 54 8.436 8.475 -0.039 1
1 134 . 12 1 1 A 24 24 THR HA H 54 4.500 4.178 0.322 1
1 139 . 12 1 1 A 24 24 THR N N 54 118.091 114.133 3.958 1
1 140 . 12 1 1 A 25 25 PRO HA H 55 3.884 4.697 -0.813 1
1 147 . 12 1 1 A 26 26 SER H H 56 8.916 8.343 0.573 1
1 148 . 12 1 1 A 26 26 SER HA H 56 4.182 4.214 -0.032 1
1 151 . 12 1 1 A 26 26 SER N N 56 119.151 117.579 1.572 1
1 152 . 12 1 1 A 27 27 GLY H H 57 8.936 8.593 0.343 1
1 153 . 12 1 1 A 27 27 GLY HA2 H 57 3.705 3.928 -0.223 1
1 154 . 12 1 1 A 27 27 GLY HA3 H 57 3.875 3.929 -0.054 1
1 155 . 12 1 1 A 27 27 GLY N N 57 111.837 109.901 1.936 1
1 156 . 12 1 1 A 28 28 ARG H H 58 7.970 8.083 -0.113 1
1 157 . 12 1 1 A 28 28 ARG HA H 58 4.024 4.427 -0.403 1
1 164 . 12 1 1 A 28 28 ARG N N 58 120.058 119.804 0.254 1
1 165 . 12 1 1 A 29 29 ALA H H 59 8.507 7.501 1.006 1
1 166 . 12 1 1 A 29 29 ALA HA H 59 4.073 4.537 -0.464 1
1 170 . 12 1 1 A 29 29 ALA N N 59 125.094 120.823 4.271 1
1 171 . 12 1 1 A 30 30 ASN H H 60 8.497 8.908 -0.411 1
1 172 . 12 1 1 A 30 30 ASN HA H 60 4.372 4.672 -0.300 1
1 177 . 12 1 1 A 30 30 ASN N N 60 113.096 116.988 -3.892 1
1 178 . 12 1 1 A 31 31 ARG H H 61 7.205 7.782 -0.577 1
1 179 . 12 1 1 A 31 31 ARG HA H 61 4.885 4.864 0.021 1
1 186 . 12 1 1 A 31 31 ARG N N 61 116.323 119.503 -3.180 1
1 187 . 12 1 1 A 32 32 ARG H H 62 8.215 8.852 -0.637 1
1 188 . 12 1 1 A 32 32 ARG HA H 62 3.983 4.407 -0.424 1
1 195 . 12 1 1 A 32 32 ARG N N 62 121.556 121.665 -0.109 1
1 196 . 12 1 1 A 33 33 ALA H H 63 8.569 7.958 0.611 1
1 197 . 12 1 1 A 33 33 ALA HA H 63 3.979 4.082 -0.103 1
1 201 . 12 1 1 A 33 33 ALA N N 63 125.837 119.322 6.515 1
1 202 . 12 1 1 A 34 34 ASN H H 64 7.992 8.332 -0.340 1
1 203 . 12 1 1 A 34 34 ASN HA H 64 4.455 4.766 -0.311 1
1 208 . 12 1 1 A 34 34 ASN N N 64 112.193 113.369 -1.176 1
1 209 . 12 1 1 A 35 35 CYS H H 65 7.716 7.660 0.056 1
1 210 . 12 1 1 A 35 35 CYS HA H 65 4.579 4.300 0.279 1
1 213 . 12 1 1 A 35 35 CYS N N 65 122.640 119.550 3.090 1
1 214 . 12 1 1 A 36 36 SER H H 66 9.392 8.757 0.635 1
1 215 . 12 1 1 A 36 36 SER HA H 66 4.764 4.610 0.154 1
1 218 . 12 1 1 A 36 36 SER N N 66 129.091 120.503 8.588 1
1 219 . 12 1 1 A 37 37 CYS H H 67 9.652 7.629 2.023 1
1 220 . 12 1 1 A 37 37 CYS HA H 67 3.926 4.392 -0.466 1
1 223 . 12 1 1 A 37 37 CYS N N 67 125.082 122.513 2.569 1
1 224 . 12 1 1 A 38 38 GLY H H 68 9.023 8.390 0.633 1
1 225 . 12 1 1 A 38 38 GLY HA2 H 68 3.754 4.208 -0.454 1
1 226 . 12 1 1 A 38 38 GLY HA3 H 68 4.221 4.209 0.012 1
1 227 . 12 1 1 A 38 38 GLY N N 68 109.840 109.409 0.431 1
1 228 . 12 1 1 A 39 39 ALA H H 69 8.537 8.786 -0.249 1
1 229 . 12 1 1 A 39 39 ALA HA H 69 3.726 4.028 -0.302 1
1 233 . 12 1 1 A 39 39 ALA N N 69 121.278 121.910 -0.632 1
1 234 . 12 1 1 A 40 40 ALA H H 70 8.170 7.736 0.434 1
1 235 . 12 1 1 A 40 40 ALA HA H 70 4.189 4.328 -0.139 1
1 239 . 12 1 1 A 40 40 ALA N N 70 117.964 118.425 -0.461 1
1 240 . 12 1 1 A 41 41 CYS H H 71 6.933 7.867 -0.934 1
1 241 . 12 1 1 A 41 41 CYS HA H 71 3.880 4.807 -0.927 1
1 244 . 12 1 1 A 41 41 CYS N N 71 121.577 118.372 3.205 1
1 245 . 12 1 1 A 42 42 ASN H H 72 8.623 8.659 -0.036 1
1 246 . 12 1 1 A 42 42 ASN HA H 72 4.885 5.066 -0.181 1
1 251 . 12 1 1 A 42 42 ASN N N 72 128.800 122.150 6.650 1
1 252 . 12 1 1 A 43 43 CYS H H 73 8.668 6.971 1.697 1
1 253 . 12 1 1 A 43 43 CYS HA H 73 4.035 4.221 -0.186 1
1 256 . 12 1 1 A 43 43 CYS N N 73 126.110 120.406 5.704 1
1 257 . 12 1 1 A 44 44 ALA H H 74 9.196 8.914 0.282 1
1 258 . 12 1 1 A 44 44 ALA HA H 74 4.099 3.999 0.100 1
1 262 . 12 1 1 A 44 44 ALA N N 74 133.819 131.223 2.596 1
1 263 . 12 1 1 A 45 45 SER H H 75 8.371 8.069 0.302 1
1 264 . 12 1 1 A 45 45 SER HA H 75 4.314 4.227 0.087 1
1 267 . 12 1 1 A 45 45 SER N N 75 116.040 112.777 3.263 1
1 268 . 12 1 1 A 46 46 CYS H H 76 8.221 8.107 0.114 1
1 269 . 12 1 1 A 46 46 CYS HA H 76 4.135 4.643 -0.508 1
1 272 . 12 1 1 A 46 46 CYS N N 76 122.567 118.400 4.167 1
1 273 . 12 1 1 A 47 47 GLY H H 77 7.514 8.032 -0.518 1
1 274 . 12 1 1 A 47 47 GLY HA2 H 77 3.727 3.796 -0.069 1
1 275 . 12 1 1 A 47 47 GLY HA3 H 77 4.206 3.797 0.409 1
1 276 . 12 1 1 A 47 47 GLY N N 77 105.830 110.002 -4.172 1
1 277 . 12 1 1 A 48 48 SER H H 78 7.451 7.652 -0.201 1
1 278 . 12 1 1 A 48 48 SER HA H 78 4.322 4.519 -0.197 1
1 281 . 12 1 1 A 48 48 SER N N 78 114.464 114.761 -0.297 1
1 282 . 12 1 1 A 49 49 ALA H H 79 8.245 8.817 -0.572 1
1 283 . 12 1 1 A 49 49 ALA HA H 79 4.197 4.728 -0.531 1
1 287 . 12 1 1 A 49 49 ALA N N 79 126.080 127.293 -1.213 1
1 288 . 12 1 1 A 50 50 THR H H 80 7.999 8.600 -0.601 1
1 289 . 12 1 1 A 50 50 THR HA H 80 4.208 5.341 -1.133 1
1 294 . 12 1 1 A 50 50 THR N N 80 113.328 111.304 2.024 1
1 295 . 12 1 1 A 51 51 ALA H H 81 8.246 8.655 -0.409 1
1 296 . 12 1 1 A 51 51 ALA HA H 81 4.507 4.831 -0.324 1
1 300 . 12 1 1 A 51 51 ALA N N 81 128.270 126.291 1.979 1
1 301 . 12 1 1 A 52 52 PRO HA H 82 4.327 4.255 0.072 1
1 5 . 13 1 1 A 2 2 GLU H H 32 8.239 8.503 -0.264 1
1 6 . 13 1 1 A 2 2 GLU HA H 32 4.219 4.376 -0.157 1
1 11 . 13 1 1 A 2 2 GLU N N 32 120.194 119.790 0.404 1
1 12 . 13 1 1 A 3 3 HIS H H 33 8.495 8.817 -0.322 1
1 13 . 13 1 1 A 3 3 HIS HA H 33 4.786 5.131 -0.345 1
1 18 . 13 1 1 A 3 3 HIS N N 33 118.099 122.169 -4.070 1
1 19 . 13 1 1 A 4 4 THR H H 34 9.623 8.429 1.194 1
1 20 . 13 1 1 A 4 4 THR HA H 34 4.376 4.154 0.222 1
1 25 . 13 1 1 A 4 4 THR N N 34 123.055 116.761 6.294 1
1 26 . 13 1 1 A 5 5 THR H H 35 8.303 8.369 -0.066 1
1 27 . 13 1 1 A 5 5 THR HA H 35 4.567 4.807 -0.240 1
1 32 . 13 1 1 A 5 5 THR N N 35 112.573 116.338 -3.765 1
1 33 . 13 1 1 A 6 6 CYS H H 36 8.310 9.025 -0.715 1
1 34 . 13 1 1 A 6 6 CYS HA H 36 4.044 4.655 -0.611 1
1 37 . 13 1 1 A 6 6 CYS N N 36 119.577 122.342 -2.765 1
1 38 . 13 1 1 A 7 7 GLY H H 37 9.375 8.787 0.588 1
1 39 . 13 1 1 A 7 7 GLY HA2 H 37 3.892 3.810 0.082 1
1 40 . 13 1 1 A 7 7 GLY HA3 H 37 3.974 3.813 0.161 1
1 41 . 13 1 1 A 7 7 GLY N N 37 123.215 112.337 10.878 1
1 42 . 13 1 1 A 8 8 CYS H H 38 7.181 7.656 -0.475 1
1 43 . 13 1 1 A 8 8 CYS HA H 38 4.507 4.377 0.130 1
1 46 . 13 1 1 A 8 8 CYS N N 38 117.576 118.548 -0.972 1
1 47 . 13 1 1 A 9 9 GLY H H 39 8.218 8.766 -0.548 1
1 48 . 13 1 1 A 9 9 GLY HA2 H 39 4.453 3.983 0.470 1
1 49 . 13 1 1 A 9 9 GLY HA3 H 39 4.453 3.989 0.464 1
1 50 . 13 1 1 A 9 9 GLY N N 39 111.592 109.701 1.891 1
1 51 . 13 1 1 A 10 10 GLU H H 40 8.189 7.726 0.463 1
1 52 . 13 1 1 A 10 10 GLU HA H 40 4.453 4.977 -0.524 1
1 57 . 13 1 1 A 10 10 GLU N N 40 122.585 115.716 6.869 1
1 58 . 13 1 1 A 11 11 HIS H H 41 9.047 8.737 0.310 1
1 59 . 13 1 1 A 11 11 HIS HA H 41 4.348 4.666 -0.318 1
1 64 . 13 1 1 A 11 11 HIS N N 41 123.245 120.258 2.987 1
1 65 . 13 1 1 A 12 12 CYS H H 42 8.400 8.528 -0.128 1
1 66 . 13 1 1 A 12 12 CYS HA H 42 4.392 5.002 -0.610 1
1 69 . 13 1 1 A 12 12 CYS N N 42 125.049 123.669 1.380 1
1 70 . 13 1 1 A 13 13 GLY H H 43 8.437 9.023 -0.586 1
1 71 . 13 1 1 A 13 13 GLY HA2 H 43 3.724 3.857 -0.133 1
1 72 . 13 1 1 A 13 13 GLY HA3 H 43 3.827 3.864 -0.037 1
1 73 . 13 1 1 A 13 13 GLY N N 43 113.590 112.698 0.892 1
1 74 . 13 1 1 A 14 14 CYS H H 44 7.420 8.079 -0.659 1
1 75 . 13 1 1 A 14 14 CYS HA H 44 4.299 4.313 -0.014 1
1 78 . 13 1 1 A 14 14 CYS N N 44 118.586 116.997 1.589 1
1 79 . 13 1 1 A 15 15 ASN H H 45 7.169 7.526 -0.357 1
1 80 . 13 1 1 A 15 15 ASN HA H 45 4.826 5.168 -0.342 1
1 85 . 13 1 1 A 15 15 ASN N N 45 120.140 118.922 1.218 1
1 86 . 13 1 1 A 16 16 PRO HA H 46 4.103 4.538 -0.435 1
1 93 . 13 1 1 A 17 17 CYS H H 47 8.576 8.209 0.367 1
1 94 . 13 1 1 A 17 17 CYS HA H 47 4.428 4.981 -0.553 1
1 97 . 13 1 1 A 17 17 CYS N N 47 124.271 118.159 6.112 1
1 98 . 13 1 1 A 18 18 ALA H H 48 8.960 8.632 0.328 1
1 99 . 13 1 1 A 18 18 ALA HA H 48 4.157 4.094 0.063 1
1 103 . 13 1 1 A 18 18 ALA N N 48 133.579 123.285 10.294 1
1 104 . 13 1 1 A 19 19 CYS H H 49 9.093 8.022 1.071 1
1 105 . 13 1 1 A 19 19 CYS HA H 49 4.413 4.655 -0.242 1
1 108 . 13 1 1 A 19 19 CYS N N 49 119.595 115.173 4.422 1
1 109 . 13 1 1 A 20 20 GLY H H 50 7.744 8.276 -0.532 1
1 110 . 13 1 1 A 20 20 GLY HA2 H 50 4.099 3.972 0.127 1
1 111 . 13 1 1 A 20 20 GLY HA3 H 50 3.748 3.980 -0.232 1
1 112 . 13 1 1 A 20 20 GLY N N 50 110.042 110.983 -0.941 1
1 113 . 13 1 1 A 21 21 ARG H H 51 8.368 7.943 0.425 1
1 114 . 13 1 1 A 21 21 ARG HA H 51 4.072 4.327 -0.255 1
1 121 . 13 1 1 A 21 21 ARG N N 51 123.936 122.049 1.887 1
1 122 . 13 1 1 A 22 22 GLU H H 52 8.479 8.901 -0.422 1
1 123 . 13 1 1 A 22 22 GLU HA H 52 4.270 4.677 -0.407 1
1 128 . 13 1 1 A 22 22 GLU N N 52 125.329 124.097 1.232 1
1 129 . 13 1 1 A 23 23 GLY H H 53 8.279 8.097 0.182 1
1 130 . 13 1 1 A 23 23 GLY HA2 H 53 4.082 4.076 0.006 1
1 131 . 13 1 1 A 23 23 GLY HA3 H 53 3.834 4.094 -0.260 1
1 132 . 13 1 1 A 23 23 GLY N N 53 109.702 108.163 1.539 1
1 133 . 13 1 1 A 24 24 THR H H 54 8.436 8.539 -0.103 1
1 134 . 13 1 1 A 24 24 THR HA H 54 4.500 4.432 0.068 1
1 139 . 13 1 1 A 24 24 THR N N 54 118.091 115.737 2.354 1
1 140 . 13 1 1 A 25 25 PRO HA H 55 3.884 4.784 -0.900 1
1 147 . 13 1 1 A 26 26 SER H H 56 8.916 8.700 0.216 1
1 148 . 13 1 1 A 26 26 SER HA H 56 4.182 4.182 0.000 1
1 151 . 13 1 1 A 26 26 SER N N 56 119.151 118.156 0.995 1
1 152 . 13 1 1 A 27 27 GLY H H 57 8.936 8.225 0.711 1
1 153 . 13 1 1 A 27 27 GLY HA2 H 57 3.705 3.964 -0.259 1
1 154 . 13 1 1 A 27 27 GLY HA3 H 57 3.875 3.964 -0.089 1
1 155 . 13 1 1 A 27 27 GLY N N 57 111.837 109.949 1.888 1
1 156 . 13 1 1 A 28 28 ARG H H 58 7.970 8.396 -0.426 1
1 157 . 13 1 1 A 28 28 ARG HA H 58 4.024 4.452 -0.428 1
1 164 . 13 1 1 A 28 28 ARG N N 58 120.058 121.258 -1.200 1
1 165 . 13 1 1 A 29 29 ALA H H 59 8.507 7.425 1.082 1
1 166 . 13 1 1 A 29 29 ALA HA H 59 4.073 4.451 -0.378 1
1 170 . 13 1 1 A 29 29 ALA N N 59 125.094 122.435 2.659 1
1 171 . 13 1 1 A 30 30 ASN H H 60 8.497 9.159 -0.662 1
1 172 . 13 1 1 A 30 30 ASN HA H 60 4.372 4.566 -0.194 1
1 177 . 13 1 1 A 30 30 ASN N N 60 113.096 117.496 -4.400 1
1 178 . 13 1 1 A 31 31 ARG H H 61 7.205 7.522 -0.317 1
1 179 . 13 1 1 A 31 31 ARG HA H 61 4.885 4.402 0.483 1
1 186 . 13 1 1 A 31 31 ARG N N 61 116.323 120.702 -4.379 1
1 187 . 13 1 1 A 32 32 ARG H H 62 8.215 8.730 -0.515 1
1 188 . 13 1 1 A 32 32 ARG HA H 62 3.983 4.085 -0.102 1
1 195 . 13 1 1 A 32 32 ARG N N 62 121.556 121.698 -0.142 1
1 196 . 13 1 1 A 33 33 ALA H H 63 8.569 7.986 0.583 1
1 197 . 13 1 1 A 33 33 ALA HA H 63 3.979 4.190 -0.211 1
1 201 . 13 1 1 A 33 33 ALA N N 63 125.837 119.982 5.855 1
1 202 . 13 1 1 A 34 34 ASN H H 64 7.992 8.290 -0.298 1
1 203 . 13 1 1 A 34 34 ASN HA H 64 4.455 4.889 -0.434 1
1 208 . 13 1 1 A 34 34 ASN N N 64 112.193 115.035 -2.842 1
1 209 . 13 1 1 A 35 35 CYS H H 65 7.716 7.618 0.098 1
1 210 . 13 1 1 A 35 35 CYS HA H 65 4.579 4.734 -0.155 1
1 213 . 13 1 1 A 35 35 CYS N N 65 122.640 121.314 1.326 1
1 214 . 13 1 1 A 36 36 SER H H 66 9.392 9.004 0.388 1
1 215 . 13 1 1 A 36 36 SER HA H 66 4.764 4.558 0.206 1
1 218 . 13 1 1 A 36 36 SER N N 66 129.091 123.150 5.941 1
1 219 . 13 1 1 A 37 37 CYS H H 67 9.652 7.677 1.975 1
1 220 . 13 1 1 A 37 37 CYS HA H 67 3.926 4.644 -0.718 1
1 223 . 13 1 1 A 37 37 CYS N N 67 125.082 120.651 4.431 1
1 224 . 13 1 1 A 38 38 GLY H H 68 9.023 8.224 0.799 1
1 225 . 13 1 1 A 38 38 GLY HA2 H 68 3.754 4.061 -0.307 1
1 226 . 13 1 1 A 38 38 GLY HA3 H 68 4.221 4.062 0.159 1
1 227 . 13 1 1 A 38 38 GLY N N 68 109.840 110.542 -0.702 1
1 228 . 13 1 1 A 39 39 ALA H H 69 8.537 7.991 0.546 1
1 229 . 13 1 1 A 39 39 ALA HA H 69 3.726 4.769 -1.043 1
1 233 . 13 1 1 A 39 39 ALA N N 69 121.278 121.652 -0.374 1
1 234 . 13 1 1 A 40 40 ALA H H 70 8.170 8.153 0.017 1
1 235 . 13 1 1 A 40 40 ALA HA H 70 4.189 4.100 0.089 1
1 239 . 13 1 1 A 40 40 ALA N N 70 117.964 120.120 -2.156 1
1 240 . 13 1 1 A 41 41 CYS H H 71 6.933 8.299 -1.366 1
1 241 . 13 1 1 A 41 41 CYS HA H 71 3.880 4.964 -1.084 1
1 244 . 13 1 1 A 41 41 CYS N N 71 121.577 119.033 2.544 1
1 245 . 13 1 1 A 42 42 ASN H H 72 8.623 8.911 -0.288 1
1 246 . 13 1 1 A 42 42 ASN HA H 72 4.885 4.816 0.069 1
1 251 . 13 1 1 A 42 42 ASN N N 72 128.800 122.726 6.074 1
1 252 . 13 1 1 A 43 43 CYS H H 73 8.668 7.304 1.364 1
1 253 . 13 1 1 A 43 43 CYS HA H 73 4.035 4.229 -0.194 1
1 256 . 13 1 1 A 43 43 CYS N N 73 126.110 119.753 6.357 1
1 257 . 13 1 1 A 44 44 ALA H H 74 9.196 8.908 0.288 1
1 258 . 13 1 1 A 44 44 ALA HA H 74 4.099 3.998 0.101 1
1 262 . 13 1 1 A 44 44 ALA N N 74 133.819 131.539 2.280 1
1 263 . 13 1 1 A 45 45 SER H H 75 8.371 8.311 0.060 1
1 264 . 13 1 1 A 45 45 SER HA H 75 4.314 4.141 0.173 1
1 267 . 13 1 1 A 45 45 SER N N 75 116.040 112.259 3.781 1
1 268 . 13 1 1 A 46 46 CYS H H 76 8.221 8.082 0.139 1
1 269 . 13 1 1 A 46 46 CYS HA H 76 4.135 4.485 -0.350 1
1 272 . 13 1 1 A 46 46 CYS N N 76 122.567 118.053 4.514 1
1 273 . 13 1 1 A 47 47 GLY H H 77 7.514 8.153 -0.639 1
1 274 . 13 1 1 A 47 47 GLY HA2 H 77 3.727 3.942 -0.215 1
1 275 . 13 1 1 A 47 47 GLY HA3 H 77 4.206 3.942 0.264 1
1 276 . 13 1 1 A 47 47 GLY N N 77 105.830 109.293 -3.463 1
1 277 . 13 1 1 A 48 48 SER H H 78 7.451 7.698 -0.247 1
1 278 . 13 1 1 A 48 48 SER HA H 78 4.322 4.331 -0.009 1
1 281 . 13 1 1 A 48 48 SER N N 78 114.464 116.361 -1.897 1
1 282 . 13 1 1 A 49 49 ALA H H 79 8.245 8.832 -0.587 1
1 283 . 13 1 1 A 49 49 ALA HA H 79 4.197 4.875 -0.678 1
1 287 . 13 1 1 A 49 49 ALA N N 79 126.080 129.286 -3.206 1
1 288 . 13 1 1 A 50 50 THR H H 80 7.999 8.426 -0.427 1
1 289 . 13 1 1 A 50 50 THR HA H 80 4.208 4.696 -0.488 1
1 294 . 13 1 1 A 50 50 THR N N 80 113.328 111.748 1.580 1
1 295 . 13 1 1 A 51 51 ALA H H 81 8.246 7.692 0.554 1
1 296 . 13 1 1 A 51 51 ALA HA H 81 4.507 4.441 0.066 1
1 300 . 13 1 1 A 51 51 ALA N N 81 128.270 127.837 0.433 1
1 301 . 13 1 1 A 52 52 PRO HA H 82 4.327 4.496 -0.169 1
1 5 . 14 1 1 A 2 2 GLU H H 32 8.239 8.805 -0.566 1
1 6 . 14 1 1 A 2 2 GLU HA H 32 4.219 5.090 -0.871 1
1 11 . 14 1 1 A 2 2 GLU N N 32 120.194 122.369 -2.175 1
1 12 . 14 1 1 A 3 3 HIS H H 33 8.495 8.645 -0.150 1
1 13 . 14 1 1 A 3 3 HIS HA H 33 4.786 4.903 -0.117 1
1 18 . 14 1 1 A 3 3 HIS N N 33 118.099 117.557 0.542 1
1 19 . 14 1 1 A 4 4 THR H H 34 9.623 8.462 1.161 1
1 20 . 14 1 1 A 4 4 THR HA H 34 4.376 4.315 0.061 1
1 25 . 14 1 1 A 4 4 THR N N 34 123.055 116.091 6.964 1
1 26 . 14 1 1 A 5 5 THR H H 35 8.303 8.452 -0.149 1
1 27 . 14 1 1 A 5 5 THR HA H 35 4.567 4.841 -0.274 1
1 32 . 14 1 1 A 5 5 THR N N 35 112.573 116.955 -4.382 1
1 33 . 14 1 1 A 6 6 CYS H H 36 8.310 8.406 -0.096 1
1 34 . 14 1 1 A 6 6 CYS HA H 36 4.044 4.624 -0.580 1
1 37 . 14 1 1 A 6 6 CYS N N 36 119.577 122.034 -2.457 1
1 38 . 14 1 1 A 7 7 GLY H H 37 9.375 8.814 0.561 1
1 39 . 14 1 1 A 7 7 GLY HA2 H 37 3.892 3.793 0.099 1
1 40 . 14 1 1 A 7 7 GLY HA3 H 37 3.974 3.799 0.175 1
1 41 . 14 1 1 A 7 7 GLY N N 37 123.215 113.585 9.630 1
1 42 . 14 1 1 A 8 8 CYS H H 38 7.181 7.635 -0.454 1
1 43 . 14 1 1 A 8 8 CYS HA H 38 4.507 4.360 0.147 1
1 46 . 14 1 1 A 8 8 CYS N N 38 117.576 118.418 -0.842 1
1 47 . 14 1 1 A 9 9 GLY H H 39 8.218 9.594 -1.376 1
1 48 . 14 1 1 A 9 9 GLY HA2 H 39 4.453 3.924 0.529 1
1 49 . 14 1 1 A 9 9 GLY HA3 H 39 4.453 3.933 0.520 1
1 50 . 14 1 1 A 9 9 GLY N N 39 111.592 110.467 1.125 1
1 51 . 14 1 1 A 10 10 GLU H H 40 8.189 7.542 0.647 1
1 52 . 14 1 1 A 10 10 GLU HA H 40 4.453 4.668 -0.215 1
1 57 . 14 1 1 A 10 10 GLU N N 40 122.585 118.539 4.046 1
1 58 . 14 1 1 A 11 11 HIS H H 41 9.047 8.571 0.476 1
1 59 . 14 1 1 A 11 11 HIS HA H 41 4.348 4.540 -0.192 1
1 64 . 14 1 1 A 11 11 HIS N N 41 123.245 124.863 -1.618 1
1 65 . 14 1 1 A 12 12 CYS H H 42 8.400 8.735 -0.335 1
1 66 . 14 1 1 A 12 12 CYS HA H 42 4.392 4.761 -0.369 1
1 69 . 14 1 1 A 12 12 CYS N N 42 125.049 121.132 3.917 1
1 70 . 14 1 1 A 13 13 GLY H H 43 8.437 8.650 -0.213 1
1 71 . 14 1 1 A 13 13 GLY HA2 H 43 3.724 3.871 -0.147 1
1 72 . 14 1 1 A 13 13 GLY HA3 H 43 3.827 3.883 -0.056 1
1 73 . 14 1 1 A 13 13 GLY N N 43 113.590 113.240 0.350 1
1 74 . 14 1 1 A 14 14 CYS H H 44 7.420 7.957 -0.537 1
1 75 . 14 1 1 A 14 14 CYS HA H 44 4.299 4.325 -0.026 1
1 78 . 14 1 1 A 14 14 CYS N N 44 118.586 117.043 1.543 1
1 79 . 14 1 1 A 15 15 ASN H H 45 7.169 7.694 -0.525 1
1 80 . 14 1 1 A 15 15 ASN HA H 45 4.826 5.173 -0.347 1
1 85 . 14 1 1 A 15 15 ASN N N 45 120.140 119.568 0.572 1
1 86 . 14 1 1 A 16 16 PRO HA H 46 4.103 4.768 -0.665 1
1 93 . 14 1 1 A 17 17 CYS H H 47 8.576 8.174 0.402 1
1 94 . 14 1 1 A 17 17 CYS HA H 47 4.428 4.818 -0.390 1
1 97 . 14 1 1 A 17 17 CYS N N 47 124.271 118.212 6.059 1
1 98 . 14 1 1 A 18 18 ALA H H 48 8.960 8.864 0.096 1
1 99 . 14 1 1 A 18 18 ALA HA H 48 4.157 4.006 0.151 1
1 103 . 14 1 1 A 18 18 ALA N N 48 133.579 123.260 10.319 1
1 104 . 14 1 1 A 19 19 CYS H H 49 9.093 8.007 1.086 1
1 105 . 14 1 1 A 19 19 CYS HA H 49 4.413 4.536 -0.123 1
1 108 . 14 1 1 A 19 19 CYS N N 49 119.595 113.398 6.197 1
1 109 . 14 1 1 A 20 20 GLY H H 50 7.744 8.319 -0.575 1
1 110 . 14 1 1 A 20 20 GLY HA2 H 50 4.099 3.941 0.158 1
1 111 . 14 1 1 A 20 20 GLY HA3 H 50 3.748 3.959 -0.211 1
1 112 . 14 1 1 A 20 20 GLY N N 50 110.042 111.312 -1.270 1
1 113 . 14 1 1 A 21 21 ARG H H 51 8.368 7.937 0.431 1
1 114 . 14 1 1 A 21 21 ARG HA H 51 4.072 4.781 -0.709 1
1 121 . 14 1 1 A 21 21 ARG N N 51 123.936 120.420 3.516 1
1 122 . 14 1 1 A 22 22 GLU H H 52 8.479 8.581 -0.102 1
1 123 . 14 1 1 A 22 22 GLU HA H 52 4.270 4.793 -0.523 1
1 128 . 14 1 1 A 22 22 GLU N N 52 125.329 123.586 1.743 1
1 129 . 14 1 1 A 23 23 GLY H H 53 8.279 7.728 0.551 1
1 130 . 14 1 1 A 23 23 GLY HA2 H 53 4.082 4.031 0.051 1
1 131 . 14 1 1 A 23 23 GLY HA3 H 53 3.834 4.050 -0.216 1
1 132 . 14 1 1 A 23 23 GLY N N 53 109.702 108.976 0.726 1
1 133 . 14 1 1 A 24 24 THR H H 54 8.436 8.298 0.138 1
1 134 . 14 1 1 A 24 24 THR HA H 54 4.500 4.678 -0.178 1
1 139 . 14 1 1 A 24 24 THR N N 54 118.091 117.366 0.725 1
1 140 . 14 1 1 A 25 25 PRO HA H 55 3.884 4.558 -0.674 1
1 147 . 14 1 1 A 26 26 SER H H 56 8.916 8.803 0.113 1
1 148 . 14 1 1 A 26 26 SER HA H 56 4.182 4.852 -0.670 1
1 151 . 14 1 1 A 26 26 SER N N 56 119.151 119.826 -0.675 1
1 152 . 14 1 1 A 27 27 GLY H H 57 8.936 8.429 0.507 1
1 153 . 14 1 1 A 27 27 GLY HA2 H 57 3.705 3.919 -0.214 1
1 154 . 14 1 1 A 27 27 GLY HA3 H 57 3.875 3.919 -0.044 1
1 155 . 14 1 1 A 27 27 GLY N N 57 111.837 110.008 1.829 1
1 156 . 14 1 1 A 28 28 ARG H H 58 7.970 8.557 -0.587 1
1 157 . 14 1 1 A 28 28 ARG HA H 58 4.024 4.137 -0.113 1
1 164 . 14 1 1 A 28 28 ARG N N 58 120.058 118.680 1.378 1
1 165 . 14 1 1 A 29 29 ALA H H 59 8.507 7.815 0.692 1
1 166 . 14 1 1 A 29 29 ALA HA H 59 4.073 4.400 -0.327 1
1 170 . 14 1 1 A 29 29 ALA N N 59 125.094 122.409 2.685 1
1 171 . 14 1 1 A 30 30 ASN H H 60 8.497 8.210 0.287 1
1 172 . 14 1 1 A 30 30 ASN HA H 60 4.372 4.887 -0.515 1
1 177 . 14 1 1 A 30 30 ASN N N 60 113.096 114.136 -1.040 1
1 178 . 14 1 1 A 31 31 ARG H H 61 7.205 7.179 0.026 1
1 179 . 14 1 1 A 31 31 ARG HA H 61 4.885 4.661 0.224 1
1 186 . 14 1 1 A 31 31 ARG N N 61 116.323 119.235 -2.912 1
1 187 . 14 1 1 A 32 32 ARG H H 62 8.215 8.835 -0.620 1
1 188 . 14 1 1 A 32 32 ARG HA H 62 3.983 4.126 -0.143 1
1 195 . 14 1 1 A 32 32 ARG N N 62 121.556 123.809 -2.253 1
1 196 . 14 1 1 A 33 33 ALA H H 63 8.569 8.015 0.554 1
1 197 . 14 1 1 A 33 33 ALA HA H 63 3.979 3.966 0.013 1
1 201 . 14 1 1 A 33 33 ALA N N 63 125.837 120.026 5.811 1
1 202 . 14 1 1 A 34 34 ASN H H 64 7.992 8.541 -0.549 1
1 203 . 14 1 1 A 34 34 ASN HA H 64 4.455 4.835 -0.380 1
1 208 . 14 1 1 A 34 34 ASN N N 64 112.193 114.779 -2.586 1
1 209 . 14 1 1 A 35 35 CYS H H 65 7.716 7.583 0.133 1
1 210 . 14 1 1 A 35 35 CYS HA H 65 4.579 4.577 0.002 1
1 213 . 14 1 1 A 35 35 CYS N N 65 122.640 121.449 1.191 1
1 214 . 14 1 1 A 36 36 SER H H 66 9.392 8.394 0.998 1
1 215 . 14 1 1 A 36 36 SER HA H 66 4.764 4.519 0.245 1
1 218 . 14 1 1 A 36 36 SER N N 66 129.091 121.365 7.726 1
1 219 . 14 1 1 A 37 37 CYS H H 67 9.652 7.656 1.996 1
1 220 . 14 1 1 A 37 37 CYS HA H 67 3.926 4.467 -0.541 1
1 223 . 14 1 1 A 37 37 CYS N N 67 125.082 120.426 4.656 1
1 224 . 14 1 1 A 38 38 GLY H H 68 9.023 8.328 0.695 1
1 225 . 14 1 1 A 38 38 GLY HA2 H 68 3.754 4.010 -0.256 1
1 226 . 14 1 1 A 38 38 GLY HA3 H 68 4.221 4.010 0.211 1
1 227 . 14 1 1 A 38 38 GLY N N 68 109.840 110.900 -1.060 1
1 228 . 14 1 1 A 39 39 ALA H H 69 8.537 7.746 0.791 1
1 229 . 14 1 1 A 39 39 ALA HA H 69 3.726 4.183 -0.457 1
1 233 . 14 1 1 A 39 39 ALA N N 69 121.278 123.892 -2.614 1
1 234 . 14 1 1 A 40 40 ALA H H 70 8.170 8.803 -0.633 1
1 235 . 14 1 1 A 40 40 ALA HA H 70 4.189 3.843 0.346 1
1 239 . 14 1 1 A 40 40 ALA N N 70 117.964 122.265 -4.301 1
1 240 . 14 1 1 A 41 41 CYS H H 71 6.933 7.471 -0.538 1
1 241 . 14 1 1 A 41 41 CYS HA H 71 3.880 4.656 -0.776 1
1 244 . 14 1 1 A 41 41 CYS N N 71 121.577 115.768 5.809 1
1 245 . 14 1 1 A 42 42 ASN H H 72 8.623 9.003 -0.380 1
1 246 . 14 1 1 A 42 42 ASN HA H 72 4.885 4.920 -0.035 1
1 251 . 14 1 1 A 42 42 ASN N N 72 128.800 122.999 5.801 1
1 252 . 14 1 1 A 43 43 CYS H H 73 8.668 7.340 1.328 1
1 253 . 14 1 1 A 43 43 CYS HA H 73 4.035 4.262 -0.227 1
1 256 . 14 1 1 A 43 43 CYS N N 73 126.110 119.163 6.947 1
1 257 . 14 1 1 A 44 44 ALA H H 74 9.196 8.914 0.282 1
1 258 . 14 1 1 A 44 44 ALA HA H 74 4.099 3.941 0.158 1
1 262 . 14 1 1 A 44 44 ALA N N 74 133.819 131.443 2.376 1
1 263 . 14 1 1 A 45 45 SER H H 75 8.371 8.001 0.370 1
1 264 . 14 1 1 A 45 45 SER HA H 75 4.314 4.208 0.106 1
1 267 . 14 1 1 A 45 45 SER N N 75 116.040 113.015 3.025 1
1 268 . 14 1 1 A 46 46 CYS H H 76 8.221 8.078 0.143 1
1 269 . 14 1 1 A 46 46 CYS HA H 76 4.135 4.406 -0.271 1
1 272 . 14 1 1 A 46 46 CYS N N 76 122.567 119.097 3.470 1
1 273 . 14 1 1 A 47 47 GLY H H 77 7.514 8.172 -0.658 1
1 274 . 14 1 1 A 47 47 GLY HA2 H 77 3.727 3.994 -0.267 1
1 275 . 14 1 1 A 47 47 GLY HA3 H 77 4.206 3.995 0.211 1
1 276 . 14 1 1 A 47 47 GLY N N 77 105.830 109.782 -3.952 1
1 277 . 14 1 1 A 48 48 SER H H 78 7.451 7.858 -0.407 1
1 278 . 14 1 1 A 48 48 SER HA H 78 4.322 4.933 -0.611 1
1 281 . 14 1 1 A 48 48 SER N N 78 114.464 114.611 -0.147 1
1 282 . 14 1 1 A 49 49 ALA H H 79 8.245 8.360 -0.115 1
1 283 . 14 1 1 A 49 49 ALA HA H 79 4.197 4.873 -0.676 1
1 287 . 14 1 1 A 49 49 ALA N N 79 126.080 125.073 1.007 1
1 288 . 14 1 1 A 50 50 THR H H 80 7.999 8.724 -0.725 1
1 289 . 14 1 1 A 50 50 THR HA H 80 4.208 4.392 -0.184 1
1 294 . 14 1 1 A 50 50 THR N N 80 113.328 116.572 -3.244 1
1 295 . 14 1 1 A 51 51 ALA H H 81 8.246 8.016 0.230 1
1 296 . 14 1 1 A 51 51 ALA HA H 81 4.507 4.867 -0.360 1
1 300 . 14 1 1 A 51 51 ALA N N 81 128.270 129.494 -1.224 1
1 301 . 14 1 1 A 52 52 PRO HA H 82 4.327 4.417 -0.090 1
1 5 . 15 1 1 A 2 2 GLU H H 32 8.239 8.299 -0.060 1
1 6 . 15 1 1 A 2 2 GLU HA H 32 4.219 5.135 -0.916 1
1 11 . 15 1 1 A 2 2 GLU N N 32 120.194 121.098 -0.904 1
1 12 . 15 1 1 A 3 3 HIS H H 33 8.495 8.927 -0.432 1
1 13 . 15 1 1 A 3 3 HIS HA H 33 4.786 4.780 0.006 1
1 18 . 15 1 1 A 3 3 HIS N N 33 118.099 118.692 -0.593 1
1 19 . 15 1 1 A 4 4 THR H H 34 9.623 8.592 1.031 1
1 20 . 15 1 1 A 4 4 THR HA H 34 4.376 4.314 0.062 1
1 25 . 15 1 1 A 4 4 THR N N 34 123.055 116.983 6.072 1
1 26 . 15 1 1 A 5 5 THR H H 35 8.303 8.499 -0.196 1
1 27 . 15 1 1 A 5 5 THR HA H 35 4.567 4.906 -0.339 1
1 32 . 15 1 1 A 5 5 THR N N 35 112.573 116.788 -4.215 1
1 33 . 15 1 1 A 6 6 CYS H H 36 8.310 8.891 -0.581 1
1 34 . 15 1 1 A 6 6 CYS HA H 36 4.044 4.624 -0.580 1
1 37 . 15 1 1 A 6 6 CYS N N 36 119.577 122.281 -2.704 1
1 38 . 15 1 1 A 7 7 GLY H H 37 9.375 8.803 0.572 1
1 39 . 15 1 1 A 7 7 GLY HA2 H 37 3.892 3.819 0.073 1
1 40 . 15 1 1 A 7 7 GLY HA3 H 37 3.974 3.821 0.153 1
1 41 . 15 1 1 A 7 7 GLY N N 37 123.215 113.137 10.078 1
1 42 . 15 1 1 A 8 8 CYS H H 38 7.181 7.680 -0.499 1
1 43 . 15 1 1 A 8 8 CYS HA H 38 4.507 4.390 0.117 1
1 46 . 15 1 1 A 8 8 CYS N N 38 117.576 117.627 -0.051 1
1 47 . 15 1 1 A 9 9 GLY H H 39 8.218 9.756 -1.538 1
1 48 . 15 1 1 A 9 9 GLY HA2 H 39 4.453 3.901 0.552 1
1 49 . 15 1 1 A 9 9 GLY HA3 H 39 4.453 3.904 0.549 1
1 50 . 15 1 1 A 9 9 GLY N N 39 111.592 111.338 0.254 1
1 51 . 15 1 1 A 10 10 GLU H H 40 8.189 7.249 0.940 1
1 52 . 15 1 1 A 10 10 GLU HA H 40 4.453 4.786 -0.333 1
1 57 . 15 1 1 A 10 10 GLU N N 40 122.585 115.759 6.826 1
1 58 . 15 1 1 A 11 11 HIS H H 41 9.047 8.841 0.206 1
1 59 . 15 1 1 A 11 11 HIS HA H 41 4.348 4.741 -0.393 1
1 64 . 15 1 1 A 11 11 HIS N N 41 123.245 121.672 1.573 1
1 65 . 15 1 1 A 12 12 CYS H H 42 8.400 8.525 -0.125 1
1 66 . 15 1 1 A 12 12 CYS HA H 42 4.392 5.089 -0.697 1
1 69 . 15 1 1 A 12 12 CYS N N 42 125.049 123.791 1.258 1
1 70 . 15 1 1 A 13 13 GLY H H 43 8.437 8.745 -0.308 1
1 71 . 15 1 1 A 13 13 GLY HA2 H 43 3.724 3.872 -0.148 1
1 72 . 15 1 1 A 13 13 GLY HA3 H 43 3.827 3.878 -0.051 1
1 73 . 15 1 1 A 13 13 GLY N N 43 113.590 113.061 0.529 1
1 74 . 15 1 1 A 14 14 CYS H H 44 7.420 8.025 -0.605 1
1 75 . 15 1 1 A 14 14 CYS HA H 44 4.299 4.480 -0.181 1
1 78 . 15 1 1 A 14 14 CYS N N 44 118.586 115.682 2.904 1
1 79 . 15 1 1 A 15 15 ASN H H 45 7.169 7.650 -0.481 1
1 80 . 15 1 1 A 15 15 ASN HA H 45 4.826 5.144 -0.318 1
1 85 . 15 1 1 A 15 15 ASN N N 45 120.140 119.137 1.003 1
1 86 . 15 1 1 A 16 16 PRO HA H 46 4.103 4.538 -0.435 1
1 93 . 15 1 1 A 17 17 CYS H H 47 8.576 8.147 0.429 1
1 94 . 15 1 1 A 17 17 CYS HA H 47 4.428 4.759 -0.331 1
1 97 . 15 1 1 A 17 17 CYS N N 47 124.271 118.166 6.105 1
1 98 . 15 1 1 A 18 18 ALA H H 48 8.960 8.559 0.401 1
1 99 . 15 1 1 A 18 18 ALA HA H 48 4.157 4.004 0.153 1
1 103 . 15 1 1 A 18 18 ALA N N 48 133.579 123.443 10.136 1
1 104 . 15 1 1 A 19 19 CYS H H 49 9.093 7.873 1.220 1
1 105 . 15 1 1 A 19 19 CYS HA H 49 4.413 4.748 -0.335 1
1 108 . 15 1 1 A 19 19 CYS N N 49 119.595 114.464 5.131 1
1 109 . 15 1 1 A 20 20 GLY H H 50 7.744 8.544 -0.800 1
1 110 . 15 1 1 A 20 20 GLY HA2 H 50 4.099 3.976 0.123 1
1 111 . 15 1 1 A 20 20 GLY HA3 H 50 3.748 3.984 -0.236 1
1 112 . 15 1 1 A 20 20 GLY N N 50 110.042 110.724 -0.682 1
1 113 . 15 1 1 A 21 21 ARG H H 51 8.368 7.564 0.804 1
1 114 . 15 1 1 A 21 21 ARG HA H 51 4.072 4.367 -0.295 1
1 121 . 15 1 1 A 21 21 ARG N N 51 123.936 122.731 1.205 1
1 122 . 15 1 1 A 22 22 GLU H H 52 8.479 8.996 -0.517 1
1 123 . 15 1 1 A 22 22 GLU HA H 52 4.270 5.079 -0.809 1
1 128 . 15 1 1 A 22 22 GLU N N 52 125.329 122.099 3.230 1
1 129 . 15 1 1 A 23 23 GLY H H 53 8.279 8.515 -0.236 1
1 130 . 15 1 1 A 23 23 GLY HA2 H 53 4.082 4.073 0.009 1
1 131 . 15 1 1 A 23 23 GLY HA3 H 53 3.834 4.082 -0.248 1
1 132 . 15 1 1 A 23 23 GLY N N 53 109.702 108.955 0.747 1
1 133 . 15 1 1 A 24 24 THR H H 54 8.436 8.392 0.044 1
1 134 . 15 1 1 A 24 24 THR HA H 54 4.500 4.222 0.278 1
1 139 . 15 1 1 A 24 24 THR N N 54 118.091 114.060 4.031 1
1 140 . 15 1 1 A 25 25 PRO HA H 55 3.884 4.519 -0.635 1
1 147 . 15 1 1 A 26 26 SER H H 56 8.916 8.150 0.766 1
1 148 . 15 1 1 A 26 26 SER HA H 56 4.182 4.924 -0.742 1
1 151 . 15 1 1 A 26 26 SER N N 56 119.151 115.616 3.535 1
1 152 . 15 1 1 A 27 27 GLY H H 57 8.936 8.660 0.276 1
1 153 . 15 1 1 A 27 27 GLY HA2 H 57 3.705 3.861 -0.156 1
1 154 . 15 1 1 A 27 27 GLY HA3 H 57 3.875 3.861 0.014 1
1 155 . 15 1 1 A 27 27 GLY N N 57 111.837 111.564 0.273 1
1 156 . 15 1 1 A 28 28 ARG H H 58 7.970 8.271 -0.301 1
1 157 . 15 1 1 A 28 28 ARG HA H 58 4.024 4.188 -0.164 1
1 164 . 15 1 1 A 28 28 ARG N N 58 120.058 117.673 2.385 1
1 165 . 15 1 1 A 29 29 ALA H H 59 8.507 7.288 1.219 1
1 166 . 15 1 1 A 29 29 ALA HA H 59 4.073 4.494 -0.421 1
1 170 . 15 1 1 A 29 29 ALA N N 59 125.094 120.508 4.586 1
1 171 . 15 1 1 A 30 30 ASN H H 60 8.497 8.978 -0.481 1
1 172 . 15 1 1 A 30 30 ASN HA H 60 4.372 4.604 -0.232 1
1 177 . 15 1 1 A 30 30 ASN N N 60 113.096 117.819 -4.723 1
1 178 . 15 1 1 A 31 31 ARG H H 61 7.205 7.708 -0.503 1
1 179 . 15 1 1 A 31 31 ARG HA H 61 4.885 4.426 0.459 1
1 186 . 15 1 1 A 31 31 ARG N N 61 116.323 120.441 -4.118 1
1 187 . 15 1 1 A 32 32 ARG H H 62 8.215 8.847 -0.632 1
1 188 . 15 1 1 A 32 32 ARG HA H 62 3.983 4.368 -0.385 1
1 195 . 15 1 1 A 32 32 ARG N N 62 121.556 122.305 -0.749 1
1 196 . 15 1 1 A 33 33 ALA H H 63 8.569 8.080 0.489 1
1 197 . 15 1 1 A 33 33 ALA HA H 63 3.979 4.072 -0.093 1
1 201 . 15 1 1 A 33 33 ALA N N 63 125.837 120.286 5.551 1
1 202 . 15 1 1 A 34 34 ASN H H 64 7.992 8.261 -0.269 1
1 203 . 15 1 1 A 34 34 ASN HA H 64 4.455 4.959 -0.504 1
1 208 . 15 1 1 A 34 34 ASN N N 64 112.193 112.814 -0.621 1
1 209 . 15 1 1 A 35 35 CYS H H 65 7.716 7.607 0.109 1
1 210 . 15 1 1 A 35 35 CYS HA H 65 4.579 4.788 -0.209 1
1 213 . 15 1 1 A 35 35 CYS N N 65 122.640 121.427 1.213 1
1 214 . 15 1 1 A 36 36 SER H H 66 9.392 8.825 0.567 1
1 215 . 15 1 1 A 36 36 SER HA H 66 4.764 4.708 0.056 1
1 218 . 15 1 1 A 36 36 SER N N 66 129.091 121.330 7.761 1
1 219 . 15 1 1 A 37 37 CYS H H 67 9.652 7.748 1.904 1
1 220 . 15 1 1 A 37 37 CYS HA H 67 3.926 4.583 -0.657 1
1 223 . 15 1 1 A 37 37 CYS N N 67 125.082 121.826 3.256 1
1 224 . 15 1 1 A 38 38 GLY H H 68 9.023 8.259 0.764 1
1 225 . 15 1 1 A 38 38 GLY HA2 H 68 3.754 4.091 -0.337 1
1 226 . 15 1 1 A 38 38 GLY HA3 H 68 4.221 4.092 0.129 1
1 227 . 15 1 1 A 38 38 GLY N N 68 109.840 110.887 -1.047 1
1 228 . 15 1 1 A 39 39 ALA H H 69 8.537 7.933 0.604 1
1 229 . 15 1 1 A 39 39 ALA HA H 69 3.726 4.663 -0.937 1
1 233 . 15 1 1 A 39 39 ALA N N 69 121.278 121.957 -0.679 1
1 234 . 15 1 1 A 40 40 ALA H H 70 8.170 8.376 -0.206 1
1 235 . 15 1 1 A 40 40 ALA HA H 70 4.189 3.888 0.301 1
1 239 . 15 1 1 A 40 40 ALA N N 70 117.964 119.321 -1.357 1
1 240 . 15 1 1 A 41 41 CYS H H 71 6.933 7.976 -1.043 1
1 241 . 15 1 1 A 41 41 CYS HA H 71 3.880 4.940 -1.060 1
1 244 . 15 1 1 A 41 41 CYS N N 71 121.577 118.244 3.333 1
1 245 . 15 1 1 A 42 42 ASN H H 72 8.623 8.868 -0.245 1
1 246 . 15 1 1 A 42 42 ASN HA H 72 4.885 4.829 0.056 1
1 251 . 15 1 1 A 42 42 ASN N N 72 128.800 123.372 5.428 1
1 252 . 15 1 1 A 43 43 CYS H H 73 8.668 7.253 1.415 1
1 253 . 15 1 1 A 43 43 CYS HA H 73 4.035 4.259 -0.224 1
1 256 . 15 1 1 A 43 43 CYS N N 73 126.110 119.992 6.118 1
1 257 . 15 1 1 A 44 44 ALA H H 74 9.196 8.915 0.281 1
1 258 . 15 1 1 A 44 44 ALA HA H 74 4.099 3.988 0.111 1
1 262 . 15 1 1 A 44 44 ALA N N 74 133.819 131.481 2.338 1
1 263 . 15 1 1 A 45 45 SER H H 75 8.371 8.053 0.318 1
1 264 . 15 1 1 A 45 45 SER HA H 75 4.314 4.187 0.127 1
1 267 . 15 1 1 A 45 45 SER N N 75 116.040 112.844 3.196 1
1 268 . 15 1 1 A 46 46 CYS H H 76 8.221 8.023 0.198 1
1 269 . 15 1 1 A 46 46 CYS HA H 76 4.135 4.356 -0.221 1
1 272 . 15 1 1 A 46 46 CYS N N 76 122.567 119.867 2.700 1
1 273 . 15 1 1 A 47 47 GLY H H 77 7.514 8.309 -0.795 1
1 274 . 15 1 1 A 47 47 GLY HA2 H 77 3.727 3.833 -0.106 1
1 275 . 15 1 1 A 47 47 GLY HA3 H 77 4.206 3.833 0.373 1
1 276 . 15 1 1 A 47 47 GLY N N 77 105.830 110.492 -4.662 1
1 277 . 15 1 1 A 48 48 SER H H 78 7.451 8.369 -0.918 1
1 278 . 15 1 1 A 48 48 SER HA H 78 4.322 4.093 0.229 1
1 281 . 15 1 1 A 48 48 SER N N 78 114.464 116.897 -2.433 1
1 282 . 15 1 1 A 49 49 ALA H H 79 8.245 7.907 0.338 1
1 283 . 15 1 1 A 49 49 ALA HA H 79 4.197 4.030 0.167 1
1 287 . 15 1 1 A 49 49 ALA N N 79 126.080 121.806 4.274 1
1 288 . 15 1 1 A 50 50 THR H H 80 7.999 8.324 -0.325 1
1 289 . 15 1 1 A 50 50 THR HA H 80 4.208 4.023 0.185 1
1 294 . 15 1 1 A 50 50 THR N N 80 113.328 109.764 3.564 1
1 295 . 15 1 1 A 51 51 ALA H H 81 8.246 7.572 0.674 1
1 296 . 15 1 1 A 51 51 ALA HA H 81 4.507 4.368 0.139 1
1 300 . 15 1 1 A 51 51 ALA N N 81 128.270 125.125 3.145 1
1 301 . 15 1 1 A 52 52 PRO HA H 82 4.327 4.470 -0.143 1
1 5 . 16 1 1 A 2 2 GLU H H 32 8.239 8.734 -0.495 1
1 6 . 16 1 1 A 2 2 GLU HA H 32 4.219 5.087 -0.868 1
1 11 . 16 1 1 A 2 2 GLU N N 32 120.194 120.021 0.173 1
1 12 . 16 1 1 A 3 3 HIS H H 33 8.495 8.573 -0.078 1
1 13 . 16 1 1 A 3 3 HIS HA H 33 4.786 5.003 -0.217 1
1 18 . 16 1 1 A 3 3 HIS N N 33 118.099 115.715 2.384 1
1 19 . 16 1 1 A 4 4 THR H H 34 9.623 8.365 1.258 1
1 20 . 16 1 1 A 4 4 THR HA H 34 4.376 4.281 0.095 1
1 25 . 16 1 1 A 4 4 THR N N 34 123.055 116.624 6.431 1
1 26 . 16 1 1 A 5 5 THR H H 35 8.303 8.099 0.204 1
1 27 . 16 1 1 A 5 5 THR HA H 35 4.567 4.493 0.074 1
1 32 . 16 1 1 A 5 5 THR N N 35 112.573 115.685 -3.112 1
1 33 . 16 1 1 A 6 6 CYS H H 36 8.310 8.628 -0.318 1
1 34 . 16 1 1 A 6 6 CYS HA H 36 4.044 4.418 -0.374 1
1 37 . 16 1 1 A 6 6 CYS N N 36 119.577 122.599 -3.022 1
1 38 . 16 1 1 A 7 7 GLY H H 37 9.375 8.778 0.597 1
1 39 . 16 1 1 A 7 7 GLY HA2 H 37 3.892 3.805 0.087 1
1 40 . 16 1 1 A 7 7 GLY HA3 H 37 3.974 3.808 0.166 1
1 41 . 16 1 1 A 7 7 GLY N N 37 123.215 112.016 11.199 1
1 42 . 16 1 1 A 8 8 CYS H H 38 7.181 7.673 -0.492 1
1 43 . 16 1 1 A 8 8 CYS HA H 38 4.507 4.385 0.122 1
1 46 . 16 1 1 A 8 8 CYS N N 38 117.576 118.615 -1.039 1
1 47 . 16 1 1 A 9 9 GLY H H 39 8.218 9.256 -1.038 1
1 48 . 16 1 1 A 9 9 GLY HA2 H 39 4.453 3.944 0.509 1
1 49 . 16 1 1 A 9 9 GLY HA3 H 39 4.453 3.951 0.502 1
1 50 . 16 1 1 A 9 9 GLY N N 39 111.592 111.802 -0.210 1
1 51 . 16 1 1 A 10 10 GLU H H 40 8.189 7.535 0.654 1
1 52 . 16 1 1 A 10 10 GLU HA H 40 4.453 4.769 -0.316 1
1 57 . 16 1 1 A 10 10 GLU N N 40 122.585 118.396 4.189 1
1 58 . 16 1 1 A 11 11 HIS H H 41 9.047 8.593 0.454 1
1 59 . 16 1 1 A 11 11 HIS HA H 41 4.348 4.466 -0.118 1
1 64 . 16 1 1 A 11 11 HIS N N 41 123.245 124.586 -1.341 1
1 65 . 16 1 1 A 12 12 CYS H H 42 8.400 8.623 -0.223 1
1 66 . 16 1 1 A 12 12 CYS HA H 42 4.392 4.960 -0.568 1
1 69 . 16 1 1 A 12 12 CYS N N 42 125.049 121.885 3.164 1
1 70 . 16 1 1 A 13 13 GLY H H 43 8.437 9.501 -1.064 1
1 71 . 16 1 1 A 13 13 GLY HA2 H 43 3.724 3.887 -0.163 1
1 72 . 16 1 1 A 13 13 GLY HA3 H 43 3.827 3.889 -0.062 1
1 73 . 16 1 1 A 13 13 GLY N N 43 113.590 112.473 1.117 1
1 74 . 16 1 1 A 14 14 CYS H H 44 7.420 7.911 -0.491 1
1 75 . 16 1 1 A 14 14 CYS HA H 44 4.299 4.320 -0.021 1
1 78 . 16 1 1 A 14 14 CYS N N 44 118.586 116.987 1.599 1
1 79 . 16 1 1 A 15 15 ASN H H 45 7.169 7.356 -0.187 1
1 80 . 16 1 1 A 15 15 ASN HA H 45 4.826 5.113 -0.287 1
1 85 . 16 1 1 A 15 15 ASN N N 45 120.140 118.906 1.234 1
1 86 . 16 1 1 A 16 16 PRO HA H 46 4.103 4.664 -0.561 1
1 93 . 16 1 1 A 17 17 CYS H H 47 8.576 8.299 0.277 1
1 94 . 16 1 1 A 17 17 CYS HA H 47 4.428 4.745 -0.317 1
1 97 . 16 1 1 A 17 17 CYS N N 47 124.271 118.704 5.567 1
1 98 . 16 1 1 A 18 18 ALA H H 48 8.960 8.509 0.451 1
1 99 . 16 1 1 A 18 18 ALA HA H 48 4.157 4.058 0.099 1
1 103 . 16 1 1 A 18 18 ALA N N 48 133.579 122.989 10.590 1
1 104 . 16 1 1 A 19 19 CYS H H 49 9.093 7.899 1.194 1
1 105 . 16 1 1 A 19 19 CYS HA H 49 4.413 4.691 -0.278 1
1 108 . 16 1 1 A 19 19 CYS N N 49 119.595 114.380 5.215 1
1 109 . 16 1 1 A 20 20 GLY H H 50 7.744 8.389 -0.645 1
1 110 . 16 1 1 A 20 20 GLY HA2 H 50 4.099 3.961 0.138 1
1 111 . 16 1 1 A 20 20 GLY HA3 H 50 3.748 3.967 -0.219 1
1 112 . 16 1 1 A 20 20 GLY N N 50 110.042 111.063 -1.021 1
1 113 . 16 1 1 A 21 21 ARG H H 51 8.368 7.962 0.406 1
1 114 . 16 1 1 A 21 21 ARG HA H 51 4.072 4.387 -0.315 1
1 121 . 16 1 1 A 21 21 ARG N N 51 123.936 122.508 1.428 1
1 122 . 16 1 1 A 22 22 GLU H H 52 8.479 9.026 -0.547 1
1 123 . 16 1 1 A 22 22 GLU HA H 52 4.270 4.986 -0.716 1
1 128 . 16 1 1 A 22 22 GLU N N 52 125.329 121.654 3.675 1
1 129 . 16 1 1 A 23 23 GLY H H 53 8.279 8.738 -0.459 1
1 130 . 16 1 1 A 23 23 GLY HA2 H 53 4.082 4.091 -0.009 1
1 131 . 16 1 1 A 23 23 GLY HA3 H 53 3.834 4.096 -0.262 1
1 132 . 16 1 1 A 23 23 GLY N N 53 109.702 108.070 1.632 1
1 133 . 16 1 1 A 24 24 THR H H 54 8.436 8.381 0.055 1
1 134 . 16 1 1 A 24 24 THR HA H 54 4.500 4.389 0.111 1
1 139 . 16 1 1 A 24 24 THR N N 54 118.091 114.574 3.517 1
1 140 . 16 1 1 A 25 25 PRO HA H 55 3.884 4.543 -0.659 1
1 147 . 16 1 1 A 26 26 SER H H 56 8.916 8.791 0.125 1
1 148 . 16 1 1 A 26 26 SER HA H 56 4.182 4.184 -0.002 1
1 151 . 16 1 1 A 26 26 SER N N 56 119.151 118.573 0.578 1
1 152 . 16 1 1 A 27 27 GLY H H 57 8.936 8.088 0.848 1
1 153 . 16 1 1 A 27 27 GLY HA2 H 57 3.705 3.984 -0.279 1
1 154 . 16 1 1 A 27 27 GLY HA3 H 57 3.875 3.984 -0.109 1
1 155 . 16 1 1 A 27 27 GLY N N 57 111.837 110.282 1.555 1
1 156 . 16 1 1 A 28 28 ARG H H 58 7.970 8.717 -0.747 1
1 157 . 16 1 1 A 28 28 ARG HA H 58 4.024 4.320 -0.296 1
1 164 . 16 1 1 A 28 28 ARG N N 58 120.058 121.219 -1.161 1
1 165 . 16 1 1 A 29 29 ALA H H 59 8.507 7.746 0.761 1
1 166 . 16 1 1 A 29 29 ALA HA H 59 4.073 4.483 -0.410 1
1 170 . 16 1 1 A 29 29 ALA N N 59 125.094 121.300 3.794 1
1 171 . 16 1 1 A 30 30 ASN H H 60 8.497 7.961 0.536 1
1 172 . 16 1 1 A 30 30 ASN HA H 60 4.372 4.371 0.001 1
1 177 . 16 1 1 A 30 30 ASN N N 60 113.096 114.352 -1.256 1
1 178 . 16 1 1 A 31 31 ARG H H 61 7.205 7.740 -0.535 1
1 179 . 16 1 1 A 31 31 ARG HA H 61 4.885 4.418 0.467 1
1 186 . 16 1 1 A 31 31 ARG N N 61 116.323 119.718 -3.395 1
1 187 . 16 1 1 A 32 32 ARG H H 62 8.215 8.751 -0.536 1
1 188 . 16 1 1 A 32 32 ARG HA H 62 3.983 4.246 -0.263 1
1 195 . 16 1 1 A 32 32 ARG N N 62 121.556 122.134 -0.578 1
1 196 . 16 1 1 A 33 33 ALA H H 63 8.569 8.359 0.210 1
1 197 . 16 1 1 A 33 33 ALA HA H 63 3.979 4.083 -0.104 1
1 201 . 16 1 1 A 33 33 ALA N N 63 125.837 119.701 6.136 1
1 202 . 16 1 1 A 34 34 ASN H H 64 7.992 8.258 -0.266 1
1 203 . 16 1 1 A 34 34 ASN HA H 64 4.455 4.882 -0.427 1
1 208 . 16 1 1 A 34 34 ASN N N 64 112.193 112.490 -0.297 1
1 209 . 16 1 1 A 35 35 CYS H H 65 7.716 7.742 -0.026 1
1 210 . 16 1 1 A 35 35 CYS HA H 65 4.579 4.463 0.116 1
1 213 . 16 1 1 A 35 35 CYS N N 65 122.640 119.645 2.995 1
1 214 . 16 1 1 A 36 36 SER H H 66 9.392 9.014 0.378 1
1 215 . 16 1 1 A 36 36 SER HA H 66 4.764 4.402 0.362 1
1 218 . 16 1 1 A 36 36 SER N N 66 129.091 122.908 6.183 1
1 219 . 16 1 1 A 37 37 CYS H H 67 9.652 7.531 2.121 1
1 220 . 16 1 1 A 37 37 CYS HA H 67 3.926 4.495 -0.569 1
1 223 . 16 1 1 A 37 37 CYS N N 67 125.082 117.483 7.599 1
1 224 . 16 1 1 A 38 38 GLY H H 68 9.023 8.482 0.541 1
1 225 . 16 1 1 A 38 38 GLY HA2 H 68 3.754 3.995 -0.241 1
1 226 . 16 1 1 A 38 38 GLY HA3 H 68 4.221 3.995 0.226 1
1 227 . 16 1 1 A 38 38 GLY N N 68 109.840 109.977 -0.137 1
1 228 . 16 1 1 A 39 39 ALA H H 69 8.537 7.826 0.711 1
1 229 . 16 1 1 A 39 39 ALA HA H 69 3.726 4.205 -0.479 1
1 233 . 16 1 1 A 39 39 ALA N N 69 121.278 124.148 -2.870 1
1 234 . 16 1 1 A 40 40 ALA H H 70 8.170 8.748 -0.578 1
1 235 . 16 1 1 A 40 40 ALA HA H 70 4.189 3.818 0.371 1
1 239 . 16 1 1 A 40 40 ALA N N 70 117.964 122.233 -4.269 1
1 240 . 16 1 1 A 41 41 CYS H H 71 6.933 7.573 -0.640 1
1 241 . 16 1 1 A 41 41 CYS HA H 71 3.880 4.787 -0.907 1
1 244 . 16 1 1 A 41 41 CYS N N 71 121.577 115.666 5.911 1
1 245 . 16 1 1 A 42 42 ASN H H 72 8.623 8.719 -0.096 1
1 246 . 16 1 1 A 42 42 ASN HA H 72 4.885 4.979 -0.094 1
1 251 . 16 1 1 A 42 42 ASN N N 72 128.800 124.570 4.230 1
1 252 . 16 1 1 A 43 43 CYS H H 73 8.668 6.891 1.777 1
1 253 . 16 1 1 A 43 43 CYS HA H 73 4.035 4.287 -0.252 1
1 256 . 16 1 1 A 43 43 CYS N N 73 126.110 120.704 5.406 1
1 257 . 16 1 1 A 44 44 ALA H H 74 9.196 8.949 0.247 1
1 258 . 16 1 1 A 44 44 ALA HA H 74 4.099 3.957 0.142 1
1 262 . 16 1 1 A 44 44 ALA N N 74 133.819 131.473 2.346 1
1 263 . 16 1 1 A 45 45 SER H H 75 8.371 8.329 0.042 1
1 264 . 16 1 1 A 45 45 SER HA H 75 4.314 4.171 0.143 1
1 267 . 16 1 1 A 45 45 SER N N 75 116.040 112.807 3.233 1
1 268 . 16 1 1 A 46 46 CYS H H 76 8.221 8.064 0.157 1
1 269 . 16 1 1 A 46 46 CYS HA H 76 4.135 4.569 -0.434 1
1 272 . 16 1 1 A 46 46 CYS N N 76 122.567 118.496 4.071 1
1 273 . 16 1 1 A 47 47 GLY H H 77 7.514 8.746 -1.232 1
1 274 . 16 1 1 A 47 47 GLY HA2 H 77 3.727 3.857 -0.130 1
1 275 . 16 1 1 A 47 47 GLY HA3 H 77 4.206 3.858 0.348 1
1 276 . 16 1 1 A 47 47 GLY N N 77 105.830 109.936 -4.106 1
1 277 . 16 1 1 A 48 48 SER H H 78 7.451 8.163 -0.712 1
1 278 . 16 1 1 A 48 48 SER HA H 78 4.322 4.213 0.109 1
1 281 . 16 1 1 A 48 48 SER N N 78 114.464 118.849 -4.385 1
1 282 . 16 1 1 A 49 49 ALA H H 79 8.245 7.929 0.316 1
1 283 . 16 1 1 A 49 49 ALA HA H 79 4.197 3.986 0.211 1
1 287 . 16 1 1 A 49 49 ALA N N 79 126.080 121.721 4.359 1
1 288 . 16 1 1 A 50 50 THR H H 80 7.999 8.492 -0.493 1
1 289 . 16 1 1 A 50 50 THR HA H 80 4.208 4.032 0.176 1
1 294 . 16 1 1 A 50 50 THR N N 80 113.328 107.661 5.667 1
1 295 . 16 1 1 A 51 51 ALA H H 81 8.246 8.318 -0.072 1
1 296 . 16 1 1 A 51 51 ALA HA H 81 4.507 4.211 0.296 1
1 300 . 16 1 1 A 51 51 ALA N N 81 128.270 120.573 7.697 1
1 301 . 16 1 1 A 52 52 PRO HA H 82 4.327 4.472 -0.145 1
1 5 . 17 1 1 A 2 2 GLU H H 32 8.239 8.001 0.238 1
1 6 . 17 1 1 A 2 2 GLU HA H 32 4.219 4.522 -0.303 1
1 11 . 17 1 1 A 2 2 GLU N N 32 120.194 120.573 -0.379 1
1 12 . 17 1 1 A 3 3 HIS H H 33 8.495 8.883 -0.388 1
1 13 . 17 1 1 A 3 3 HIS HA H 33 4.786 5.102 -0.316 1
1 18 . 17 1 1 A 3 3 HIS N N 33 118.099 120.626 -2.527 1
1 19 . 17 1 1 A 4 4 THR H H 34 9.623 8.571 1.052 1
1 20 . 17 1 1 A 4 4 THR HA H 34 4.376 4.325 0.051 1
1 25 . 17 1 1 A 4 4 THR N N 34 123.055 116.697 6.358 1
1 26 . 17 1 1 A 5 5 THR H H 35 8.303 8.403 -0.100 1
1 27 . 17 1 1 A 5 5 THR HA H 35 4.567 4.856 -0.289 1
1 32 . 17 1 1 A 5 5 THR N N 35 112.573 116.970 -4.397 1
1 33 . 17 1 1 A 6 6 CYS H H 36 8.310 8.625 -0.315 1
1 34 . 17 1 1 A 6 6 CYS HA H 36 4.044 4.636 -0.592 1
1 37 . 17 1 1 A 6 6 CYS N N 36 119.577 121.727 -2.150 1
1 38 . 17 1 1 A 7 7 GLY H H 37 9.375 8.815 0.560 1
1 39 . 17 1 1 A 7 7 GLY HA2 H 37 3.892 3.818 0.074 1
1 40 . 17 1 1 A 7 7 GLY HA3 H 37 3.974 3.819 0.155 1
1 41 . 17 1 1 A 7 7 GLY N N 37 123.215 113.331 9.884 1
1 42 . 17 1 1 A 8 8 CYS H H 38 7.181 7.676 -0.495 1
1 43 . 17 1 1 A 8 8 CYS HA H 38 4.507 4.393 0.114 1
1 46 . 17 1 1 A 8 8 CYS N N 38 117.576 118.056 -0.480 1
1 47 . 17 1 1 A 9 9 GLY H H 39 8.218 9.443 -1.225 1
1 48 . 17 1 1 A 9 9 GLY HA2 H 39 4.453 3.943 0.510 1
1 49 . 17 1 1 A 9 9 GLY HA3 H 39 4.453 3.945 0.508 1
1 50 . 17 1 1 A 9 9 GLY N N 39 111.592 111.380 0.212 1
1 51 . 17 1 1 A 10 10 GLU H H 40 8.189 7.504 0.685 1
1 52 . 17 1 1 A 10 10 GLU HA H 40 4.453 4.752 -0.299 1
1 57 . 17 1 1 A 10 10 GLU N N 40 122.585 118.652 3.933 1
1 58 . 17 1 1 A 11 11 HIS H H 41 9.047 8.775 0.272 1
1 59 . 17 1 1 A 11 11 HIS HA H 41 4.348 4.646 -0.298 1
1 64 . 17 1 1 A 11 11 HIS N N 41 123.245 125.151 -1.906 1
1 65 . 17 1 1 A 12 12 CYS H H 42 8.400 8.592 -0.192 1
1 66 . 17 1 1 A 12 12 CYS HA H 42 4.392 4.950 -0.558 1
1 69 . 17 1 1 A 12 12 CYS N N 42 125.049 122.822 2.227 1
1 70 . 17 1 1 A 13 13 GLY H H 43 8.437 8.629 -0.192 1
1 71 . 17 1 1 A 13 13 GLY HA2 H 43 3.724 3.878 -0.154 1
1 72 . 17 1 1 A 13 13 GLY HA3 H 43 3.827 3.881 -0.054 1
1 73 . 17 1 1 A 13 13 GLY N N 43 113.590 113.314 0.276 1
1 74 . 17 1 1 A 14 14 CYS H H 44 7.420 7.965 -0.545 1
1 75 . 17 1 1 A 14 14 CYS HA H 44 4.299 4.416 -0.117 1
1 78 . 17 1 1 A 14 14 CYS N N 44 118.586 115.555 3.031 1
1 79 . 17 1 1 A 15 15 ASN H H 45 7.169 7.657 -0.488 1
1 80 . 17 1 1 A 15 15 ASN HA H 45 4.826 5.149 -0.323 1
1 85 . 17 1 1 A 15 15 ASN N N 45 120.140 118.768 1.372 1
1 86 . 17 1 1 A 16 16 PRO HA H 46 4.103 4.520 -0.417 1
1 93 . 17 1 1 A 17 17 CYS H H 47 8.576 8.186 0.390 1
1 94 . 17 1 1 A 17 17 CYS HA H 47 4.428 4.777 -0.349 1
1 97 . 17 1 1 A 17 17 CYS N N 47 124.271 118.371 5.900 1
1 98 . 17 1 1 A 18 18 ALA H H 48 8.960 8.465 0.495 1
1 99 . 17 1 1 A 18 18 ALA HA H 48 4.157 4.008 0.149 1
1 103 . 17 1 1 A 18 18 ALA N N 48 133.579 123.328 10.251 1
1 104 . 17 1 1 A 19 19 CYS H H 49 9.093 7.950 1.143 1
1 105 . 17 1 1 A 19 19 CYS HA H 49 4.413 4.717 -0.304 1
1 108 . 17 1 1 A 19 19 CYS N N 49 119.595 114.626 4.969 1
1 109 . 17 1 1 A 20 20 GLY H H 50 7.744 8.466 -0.722 1
1 110 . 17 1 1 A 20 20 GLY HA2 H 50 4.099 3.963 0.136 1
1 111 . 17 1 1 A 20 20 GLY HA3 H 50 3.748 3.964 -0.216 1
1 112 . 17 1 1 A 20 20 GLY N N 50 110.042 110.676 -0.634 1
1 113 . 17 1 1 A 21 21 ARG H H 51 8.368 8.123 0.245 1
1 114 . 17 1 1 A 21 21 ARG HA H 51 4.072 4.290 -0.218 1
1 121 . 17 1 1 A 21 21 ARG N N 51 123.936 122.081 1.855 1
1 122 . 17 1 1 A 22 22 GLU H H 52 8.479 8.740 -0.261 1
1 123 . 17 1 1 A 22 22 GLU HA H 52 4.270 4.443 -0.173 1
1 128 . 17 1 1 A 22 22 GLU N N 52 125.329 125.152 0.177 1
1 129 . 17 1 1 A 23 23 GLY H H 53 8.279 7.930 0.349 1
1 130 . 17 1 1 A 23 23 GLY HA2 H 53 4.082 3.884 0.198 1
1 131 . 17 1 1 A 23 23 GLY HA3 H 53 3.834 3.910 -0.076 1
1 132 . 17 1 1 A 23 23 GLY N N 53 109.702 110.077 -0.375 1
1 133 . 17 1 1 A 24 24 THR H H 54 8.436 8.246 0.190 1
1 134 . 17 1 1 A 24 24 THR HA H 54 4.500 4.089 0.411 1
1 139 . 17 1 1 A 24 24 THR N N 54 118.091 105.931 12.160 1
1 140 . 17 1 1 A 25 25 PRO HA H 55 3.884 4.533 -0.649 1
1 147 . 17 1 1 A 26 26 SER H H 56 8.916 8.466 0.450 1
1 148 . 17 1 1 A 26 26 SER HA H 56 4.182 4.517 -0.335 1
1 151 . 17 1 1 A 26 26 SER N N 56 119.151 116.545 2.606 1
1 152 . 17 1 1 A 27 27 GLY H H 57 8.936 8.298 0.638 1
1 153 . 17 1 1 A 27 27 GLY HA2 H 57 3.705 3.870 -0.165 1
1 154 . 17 1 1 A 27 27 GLY HA3 H 57 3.875 3.870 0.005 1
1 155 . 17 1 1 A 27 27 GLY N N 57 111.837 114.309 -2.472 1
1 156 . 17 1 1 A 28 28 ARG H H 58 7.970 7.843 0.127 1
1 157 . 17 1 1 A 28 28 ARG HA H 58 4.024 4.348 -0.324 1
1 164 . 17 1 1 A 28 28 ARG N N 58 120.058 119.073 0.985 1
1 165 . 17 1 1 A 29 29 ALA H H 59 8.507 7.398 1.109 1
1 166 . 17 1 1 A 29 29 ALA HA H 59 4.073 4.468 -0.395 1
1 170 . 17 1 1 A 29 29 ALA N N 59 125.094 119.872 5.222 1
1 171 . 17 1 1 A 30 30 ASN H H 60 8.497 8.999 -0.502 1
1 172 . 17 1 1 A 30 30 ASN HA H 60 4.372 4.576 -0.204 1
1 177 . 17 1 1 A 30 30 ASN N N 60 113.096 117.605 -4.509 1
1 178 . 17 1 1 A 31 31 ARG H H 61 7.205 7.558 -0.353 1
1 179 . 17 1 1 A 31 31 ARG HA H 61 4.885 4.416 0.469 1
1 186 . 17 1 1 A 31 31 ARG N N 61 116.323 120.520 -4.197 1
1 187 . 17 1 1 A 32 32 ARG H H 62 8.215 8.908 -0.693 1
1 188 . 17 1 1 A 32 32 ARG HA H 62 3.983 4.369 -0.386 1
1 195 . 17 1 1 A 32 32 ARG N N 62 121.556 122.116 -0.560 1
1 196 . 17 1 1 A 33 33 ALA H H 63 8.569 8.075 0.494 1
1 197 . 17 1 1 A 33 33 ALA HA H 63 3.979 4.096 -0.117 1
1 201 . 17 1 1 A 33 33 ALA N N 63 125.837 119.898 5.939 1
1 202 . 17 1 1 A 34 34 ASN H H 64 7.992 8.280 -0.288 1
1 203 . 17 1 1 A 34 34 ASN HA H 64 4.455 4.974 -0.519 1
1 208 . 17 1 1 A 34 34 ASN N N 64 112.193 113.026 -0.833 1
1 209 . 17 1 1 A 35 35 CYS H H 65 7.716 7.721 -0.005 1
1 210 . 17 1 1 A 35 35 CYS HA H 65 4.579 4.722 -0.143 1
1 213 . 17 1 1 A 35 35 CYS N N 65 122.640 121.299 1.341 1
1 214 . 17 1 1 A 36 36 SER H H 66 9.392 8.821 0.571 1
1 215 . 17 1 1 A 36 36 SER HA H 66 4.764 4.505 0.259 1
1 218 . 17 1 1 A 36 36 SER N N 66 129.091 121.240 7.851 1
1 219 . 17 1 1 A 37 37 CYS H H 67 9.652 7.539 2.113 1
1 220 . 17 1 1 A 37 37 CYS HA H 67 3.926 4.364 -0.438 1
1 223 . 17 1 1 A 37 37 CYS N N 67 125.082 121.790 3.292 1
1 224 . 17 1 1 A 38 38 GLY H H 68 9.023 8.323 0.700 1
1 225 . 17 1 1 A 38 38 GLY HA2 H 68 3.754 4.068 -0.314 1
1 226 . 17 1 1 A 38 38 GLY HA3 H 68 4.221 4.068 0.153 1
1 227 . 17 1 1 A 38 38 GLY N N 68 109.840 111.200 -1.360 1
1 228 . 17 1 1 A 39 39 ALA H H 69 8.537 7.839 0.698 1
1 229 . 17 1 1 A 39 39 ALA HA H 69 3.726 4.306 -0.580 1
1 233 . 17 1 1 A 39 39 ALA N N 69 121.278 123.564 -2.286 1
1 234 . 17 1 1 A 40 40 ALA H H 70 8.170 8.283 -0.113 1
1 235 . 17 1 1 A 40 40 ALA HA H 70 4.189 4.232 -0.043 1
1 239 . 17 1 1 A 40 40 ALA N N 70 117.964 121.801 -3.837 1
1 240 . 17 1 1 A 41 41 CYS H H 71 6.933 8.366 -1.433 1
1 241 . 17 1 1 A 41 41 CYS HA H 71 3.880 4.618 -0.738 1
1 244 . 17 1 1 A 41 41 CYS N N 71 121.577 118.826 2.751 1
1 245 . 17 1 1 A 42 42 ASN H H 72 8.623 9.043 -0.420 1
1 246 . 17 1 1 A 42 42 ASN HA H 72 4.885 4.731 0.154 1
1 251 . 17 1 1 A 42 42 ASN N N 72 128.800 125.926 2.874 1
1 252 . 17 1 1 A 43 43 CYS H H 73 8.668 7.319 1.349 1
1 253 . 17 1 1 A 43 43 CYS HA H 73 4.035 4.219 -0.184 1
1 256 . 17 1 1 A 43 43 CYS N N 73 126.110 119.397 6.713 1
1 257 . 17 1 1 A 44 44 ALA H H 74 9.196 8.916 0.280 1
1 258 . 17 1 1 A 44 44 ALA HA H 74 4.099 3.985 0.114 1
1 262 . 17 1 1 A 44 44 ALA N N 74 133.819 131.335 2.484 1
1 263 . 17 1 1 A 45 45 SER H H 75 8.371 8.014 0.357 1
1 264 . 17 1 1 A 45 45 SER HA H 75 4.314 4.224 0.090 1
1 267 . 17 1 1 A 45 45 SER N N 75 116.040 113.107 2.933 1
1 268 . 17 1 1 A 46 46 CYS H H 76 8.221 8.160 0.061 1
1 269 . 17 1 1 A 46 46 CYS HA H 76 4.135 4.530 -0.395 1
1 272 . 17 1 1 A 46 46 CYS N N 76 122.567 118.318 4.249 1
1 273 . 17 1 1 A 47 47 GLY H H 77 7.514 8.224 -0.710 1
1 274 . 17 1 1 A 47 47 GLY HA2 H 77 3.727 3.745 -0.018 1
1 275 . 17 1 1 A 47 47 GLY HA3 H 77 4.206 3.746 0.460 1
1 276 . 17 1 1 A 47 47 GLY N N 77 105.830 110.278 -4.448 1
1 277 . 17 1 1 A 48 48 SER H H 78 7.451 8.006 -0.555 1
1 278 . 17 1 1 A 48 48 SER HA H 78 4.322 4.471 -0.149 1
1 281 . 17 1 1 A 48 48 SER N N 78 114.464 116.344 -1.880 1
1 282 . 17 1 1 A 49 49 ALA H H 79 8.245 8.473 -0.228 1
1 283 . 17 1 1 A 49 49 ALA HA H 79 4.197 4.504 -0.307 1
1 287 . 17 1 1 A 49 49 ALA N N 79 126.080 130.377 -4.297 1
1 288 . 17 1 1 A 50 50 THR H H 80 7.999 7.472 0.527 1
1 289 . 17 1 1 A 50 50 THR HA H 80 4.208 4.527 -0.319 1
1 294 . 17 1 1 A 50 50 THR N N 80 113.328 106.196 7.132 1
1 295 . 17 1 1 A 51 51 ALA H H 81 8.246 8.545 -0.299 1
1 296 . 17 1 1 A 51 51 ALA HA H 81 4.507 4.920 -0.413 1
1 300 . 17 1 1 A 51 51 ALA N N 81 128.270 128.673 -0.403 1
1 301 . 17 1 1 A 52 52 PRO HA H 82 4.327 4.633 -0.306 1
1 5 . 18 1 1 A 2 2 GLU H H 32 8.239 8.291 -0.052 1
1 6 . 18 1 1 A 2 2 GLU HA H 32 4.219 4.551 -0.332 1
1 11 . 18 1 1 A 2 2 GLU N N 32 120.194 117.843 2.351 1
1 12 . 18 1 1 A 3 3 HIS H H 33 8.495 8.599 -0.104 1
1 13 . 18 1 1 A 3 3 HIS HA H 33 4.786 4.811 -0.025 1
1 18 . 18 1 1 A 3 3 HIS N N 33 118.099 116.566 1.533 1
1 19 . 18 1 1 A 4 4 THR H H 34 9.623 8.382 1.241 1
1 20 . 18 1 1 A 4 4 THR HA H 34 4.376 4.290 0.086 1
1 25 . 18 1 1 A 4 4 THR N N 34 123.055 115.623 7.432 1
1 26 . 18 1 1 A 5 5 THR H H 35 8.303 8.336 -0.033 1
1 27 . 18 1 1 A 5 5 THR HA H 35 4.567 4.746 -0.179 1
1 32 . 18 1 1 A 5 5 THR N N 35 112.573 117.764 -5.191 1
1 33 . 18 1 1 A 6 6 CYS H H 36 8.310 8.989 -0.679 1
1 34 . 18 1 1 A 6 6 CYS HA H 36 4.044 4.640 -0.596 1
1 37 . 18 1 1 A 6 6 CYS N N 36 119.577 122.326 -2.749 1
1 38 . 18 1 1 A 7 7 GLY H H 37 9.375 8.776 0.599 1
1 39 . 18 1 1 A 7 7 GLY HA2 H 37 3.892 3.818 0.074 1
1 40 . 18 1 1 A 7 7 GLY HA3 H 37 3.974 3.822 0.152 1
1 41 . 18 1 1 A 7 7 GLY N N 37 123.215 112.784 10.431 1
1 42 . 18 1 1 A 8 8 CYS H H 38 7.181 7.657 -0.476 1
1 43 . 18 1 1 A 8 8 CYS HA H 38 4.507 4.375 0.132 1
1 46 . 18 1 1 A 8 8 CYS N N 38 117.576 117.536 0.040 1
1 47 . 18 1 1 A 9 9 GLY H H 39 8.218 9.652 -1.434 1
1 48 . 18 1 1 A 9 9 GLY HA2 H 39 4.453 3.906 0.547 1
1 49 . 18 1 1 A 9 9 GLY HA3 H 39 4.453 3.914 0.539 1
1 50 . 18 1 1 A 9 9 GLY N N 39 111.592 111.290 0.302 1
1 51 . 18 1 1 A 10 10 GLU H H 40 8.189 7.264 0.925 1
1 52 . 18 1 1 A 10 10 GLU HA H 40 4.453 4.819 -0.366 1
1 57 . 18 1 1 A 10 10 GLU N N 40 122.585 116.514 6.071 1
1 58 . 18 1 1 A 11 11 HIS H H 41 9.047 8.811 0.236 1
1 59 . 18 1 1 A 11 11 HIS HA H 41 4.348 4.753 -0.405 1
1 64 . 18 1 1 A 11 11 HIS N N 41 123.245 121.678 1.567 1
1 65 . 18 1 1 A 12 12 CYS H H 42 8.400 8.583 -0.183 1
1 66 . 18 1 1 A 12 12 CYS HA H 42 4.392 4.982 -0.590 1
1 69 . 18 1 1 A 12 12 CYS N N 42 125.049 123.395 1.654 1
1 70 . 18 1 1 A 13 13 GLY H H 43 8.437 8.877 -0.440 1
1 71 . 18 1 1 A 13 13 GLY HA2 H 43 3.724 3.878 -0.154 1
1 72 . 18 1 1 A 13 13 GLY HA3 H 43 3.827 3.886 -0.059 1
1 73 . 18 1 1 A 13 13 GLY N N 43 113.590 112.981 0.609 1
1 74 . 18 1 1 A 14 14 CYS H H 44 7.420 8.009 -0.589 1
1 75 . 18 1 1 A 14 14 CYS HA H 44 4.299 4.397 -0.098 1
1 78 . 18 1 1 A 14 14 CYS N N 44 118.586 115.827 2.759 1
1 79 . 18 1 1 A 15 15 ASN H H 45 7.169 7.659 -0.490 1
1 80 . 18 1 1 A 15 15 ASN HA H 45 4.826 5.163 -0.337 1
1 85 . 18 1 1 A 15 15 ASN N N 45 120.140 118.802 1.338 1
1 86 . 18 1 1 A 16 16 PRO HA H 46 4.103 4.570 -0.467 1
1 93 . 18 1 1 A 17 17 CYS H H 47 8.576 8.313 0.263 1
1 94 . 18 1 1 A 17 17 CYS HA H 47 4.428 4.833 -0.405 1
1 97 . 18 1 1 A 17 17 CYS N N 47 124.271 117.721 6.550 1
1 98 . 18 1 1 A 18 18 ALA H H 48 8.960 8.581 0.379 1
1 99 . 18 1 1 A 18 18 ALA HA H 48 4.157 4.167 -0.010 1
1 103 . 18 1 1 A 18 18 ALA N N 48 133.579 122.986 10.593 1
1 104 . 18 1 1 A 19 19 CYS H H 49 9.093 7.907 1.186 1
1 105 . 18 1 1 A 19 19 CYS HA H 49 4.413 4.720 -0.307 1
1 108 . 18 1 1 A 19 19 CYS N N 49 119.595 115.365 4.230 1
1 109 . 18 1 1 A 20 20 GLY H H 50 7.744 8.402 -0.658 1
1 110 . 18 1 1 A 20 20 GLY HA2 H 50 4.099 3.942 0.157 1
1 111 . 18 1 1 A 20 20 GLY HA3 H 50 3.748 3.964 -0.216 1
1 112 . 18 1 1 A 20 20 GLY N N 50 110.042 110.981 -0.939 1
1 113 . 18 1 1 A 21 21 ARG H H 51 8.368 7.501 0.867 1
1 114 . 18 1 1 A 21 21 ARG HA H 51 4.072 4.529 -0.457 1
1 121 . 18 1 1 A 21 21 ARG N N 51 123.936 121.781 2.155 1
1 122 . 18 1 1 A 22 22 GLU H H 52 8.479 9.003 -0.524 1
1 123 . 18 1 1 A 22 22 GLU HA H 52 4.270 5.090 -0.820 1
1 128 . 18 1 1 A 22 22 GLU N N 52 125.329 121.922 3.407 1
1 129 . 18 1 1 A 23 23 GLY H H 53 8.279 8.733 -0.454 1
1 130 . 18 1 1 A 23 23 GLY HA2 H 53 4.082 4.165 -0.083 1
1 131 . 18 1 1 A 23 23 GLY HA3 H 53 3.834 4.174 -0.340 1
1 132 . 18 1 1 A 23 23 GLY N N 53 109.702 107.085 2.617 1
1 133 . 18 1 1 A 24 24 THR H H 54 8.436 8.352 0.084 1
1 134 . 18 1 1 A 24 24 THR HA H 54 4.500 4.179 0.321 1
1 139 . 18 1 1 A 24 24 THR N N 54 118.091 114.451 3.640 1
1 140 . 18 1 1 A 25 25 PRO HA H 55 3.884 4.652 -0.768 1
1 147 . 18 1 1 A 26 26 SER H H 56 8.916 8.339 0.577 1
1 148 . 18 1 1 A 26 26 SER HA H 56 4.182 4.408 -0.226 1
1 151 . 18 1 1 A 26 26 SER N N 56 119.151 117.139 2.012 1
1 152 . 18 1 1 A 27 27 GLY H H 57 8.936 8.716 0.220 1
1 153 . 18 1 1 A 27 27 GLY HA2 H 57 3.705 3.825 -0.120 1
1 154 . 18 1 1 A 27 27 GLY HA3 H 57 3.875 3.825 0.050 1
1 155 . 18 1 1 A 27 27 GLY N N 57 111.837 113.111 -1.274 1
1 156 . 18 1 1 A 28 28 ARG H H 58 7.970 7.986 -0.016 1
1 157 . 18 1 1 A 28 28 ARG HA H 58 4.024 4.193 -0.169 1
1 164 . 18 1 1 A 28 28 ARG N N 58 120.058 121.189 -1.131 1
1 165 . 18 1 1 A 29 29 ALA H H 59 8.507 7.645 0.862 1
1 166 . 18 1 1 A 29 29 ALA HA H 59 4.073 4.379 -0.306 1
1 170 . 18 1 1 A 29 29 ALA N N 59 125.094 119.686 5.408 1
1 171 . 18 1 1 A 30 30 ASN H H 60 8.497 7.708 0.789 1
1 172 . 18 1 1 A 30 30 ASN HA H 60 4.372 4.343 0.029 1
1 177 . 18 1 1 A 30 30 ASN N N 60 113.096 113.222 -0.126 1
1 178 . 18 1 1 A 31 31 ARG H H 61 7.205 7.802 -0.597 1
1 179 . 18 1 1 A 31 31 ARG HA H 61 4.885 4.608 0.277 1
1 186 . 18 1 1 A 31 31 ARG N N 61 116.323 118.363 -2.040 1
1 187 . 18 1 1 A 32 32 ARG H H 62 8.215 8.790 -0.575 1
1 188 . 18 1 1 A 32 32 ARG HA H 62 3.983 4.382 -0.399 1
1 195 . 18 1 1 A 32 32 ARG N N 62 121.556 122.506 -0.950 1
1 196 . 18 1 1 A 33 33 ALA H H 63 8.569 7.975 0.594 1
1 197 . 18 1 1 A 33 33 ALA HA H 63 3.979 4.077 -0.098 1
1 201 . 18 1 1 A 33 33 ALA N N 63 125.837 119.792 6.045 1
1 202 . 18 1 1 A 34 34 ASN H H 64 7.992 8.306 -0.314 1
1 203 . 18 1 1 A 34 34 ASN HA H 64 4.455 5.188 -0.733 1
1 208 . 18 1 1 A 34 34 ASN N N 64 112.193 112.391 -0.198 1
1 209 . 18 1 1 A 35 35 CYS H H 65 7.716 7.670 0.046 1
1 210 . 18 1 1 A 35 35 CYS HA H 65 4.579 4.611 -0.032 1
1 213 . 18 1 1 A 35 35 CYS N N 65 122.640 121.409 1.231 1
1 214 . 18 1 1 A 36 36 SER H H 66 9.392 8.382 1.010 1
1 215 . 18 1 1 A 36 36 SER HA H 66 4.764 4.626 0.138 1
1 218 . 18 1 1 A 36 36 SER N N 66 129.091 121.599 7.492 1
1 219 . 18 1 1 A 37 37 CYS H H 67 9.652 7.667 1.985 1
1 220 . 18 1 1 A 37 37 CYS HA H 67 3.926 4.642 -0.716 1
1 223 . 18 1 1 A 37 37 CYS N N 67 125.082 122.300 2.782 1
1 224 . 18 1 1 A 38 38 GLY H H 68 9.023 8.285 0.738 1
1 225 . 18 1 1 A 38 38 GLY HA2 H 68 3.754 4.167 -0.413 1
1 226 . 18 1 1 A 38 38 GLY HA3 H 68 4.221 4.168 0.053 1
1 227 . 18 1 1 A 38 38 GLY N N 68 109.840 109.666 0.174 1
1 228 . 18 1 1 A 39 39 ALA H H 69 8.537 8.113 0.424 1
1 229 . 18 1 1 A 39 39 ALA HA H 69 3.726 4.190 -0.464 1
1 233 . 18 1 1 A 39 39 ALA N N 69 121.278 126.074 -4.796 1
1 234 . 18 1 1 A 40 40 ALA H H 70 8.170 8.539 -0.369 1
1 235 . 18 1 1 A 40 40 ALA HA H 70 4.189 3.826 0.363 1
1 239 . 18 1 1 A 40 40 ALA N N 70 117.964 122.427 -4.463 1
1 240 . 18 1 1 A 41 41 CYS H H 71 6.933 7.855 -0.922 1
1 241 . 18 1 1 A 41 41 CYS HA H 71 3.880 4.631 -0.751 1
1 244 . 18 1 1 A 41 41 CYS N N 71 121.577 116.826 4.751 1
1 245 . 18 1 1 A 42 42 ASN H H 72 8.623 8.505 0.118 1
1 246 . 18 1 1 A 42 42 ASN HA H 72 4.885 4.906 -0.021 1
1 251 . 18 1 1 A 42 42 ASN N N 72 128.800 124.704 4.096 1
1 252 . 18 1 1 A 43 43 CYS H H 73 8.668 7.287 1.381 1
1 253 . 18 1 1 A 43 43 CYS HA H 73 4.035 4.260 -0.225 1
1 256 . 18 1 1 A 43 43 CYS N N 73 126.110 119.935 6.175 1
1 257 . 18 1 1 A 44 44 ALA H H 74 9.196 8.917 0.279 1
1 258 . 18 1 1 A 44 44 ALA HA H 74 4.099 3.968 0.131 1
1 262 . 18 1 1 A 44 44 ALA N N 74 133.819 131.467 2.352 1
1 263 . 18 1 1 A 45 45 SER H H 75 8.371 8.015 0.356 1
1 264 . 18 1 1 A 45 45 SER HA H 75 4.314 4.212 0.102 1
1 267 . 18 1 1 A 45 45 SER N N 75 116.040 113.131 2.909 1
1 268 . 18 1 1 A 46 46 CYS H H 76 8.221 8.258 -0.037 1
1 269 . 18 1 1 A 46 46 CYS HA H 76 4.135 4.535 -0.400 1
1 272 . 18 1 1 A 46 46 CYS N N 76 122.567 118.061 4.506 1
1 273 . 18 1 1 A 47 47 GLY H H 77 7.514 7.991 -0.477 1
1 274 . 18 1 1 A 47 47 GLY HA2 H 77 3.727 3.891 -0.164 1
1 275 . 18 1 1 A 47 47 GLY HA3 H 77 4.206 3.892 0.314 1
1 276 . 18 1 1 A 47 47 GLY N N 77 105.830 109.606 -3.776 1
1 277 . 18 1 1 A 48 48 SER H H 78 7.451 7.708 -0.257 1
1 278 . 18 1 1 A 48 48 SER HA H 78 4.322 4.400 -0.078 1
1 281 . 18 1 1 A 48 48 SER N N 78 114.464 116.885 -2.421 1
1 282 . 18 1 1 A 49 49 ALA H H 79 8.245 8.331 -0.086 1
1 283 . 18 1 1 A 49 49 ALA HA H 79 4.197 4.771 -0.574 1
1 287 . 18 1 1 A 49 49 ALA N N 79 126.080 129.289 -3.209 1
1 288 . 18 1 1 A 50 50 THR H H 80 7.999 7.959 0.040 1
1 289 . 18 1 1 A 50 50 THR HA H 80 4.208 4.097 0.111 1
1 294 . 18 1 1 A 50 50 THR N N 80 113.328 113.440 -0.112 1
1 295 . 18 1 1 A 51 51 ALA H H 81 8.246 7.433 0.813 1
1 296 . 18 1 1 A 51 51 ALA HA H 81 4.507 4.655 -0.148 1
1 300 . 18 1 1 A 51 51 ALA N N 81 128.270 119.818 8.452 1
1 301 . 18 1 1 A 52 52 PRO HA H 82 4.327 4.497 -0.170 1
1 5 . 19 1 1 A 2 2 GLU H H 32 8.239 7.780 0.459 1
1 6 . 19 1 1 A 2 2 GLU HA H 32 4.219 5.007 -0.788 1
1 11 . 19 1 1 A 2 2 GLU N N 32 120.194 119.301 0.893 1
1 12 . 19 1 1 A 3 3 HIS H H 33 8.495 8.620 -0.125 1
1 13 . 19 1 1 A 3 3 HIS HA H 33 4.786 5.017 -0.231 1
1 18 . 19 1 1 A 3 3 HIS N N 33 118.099 117.011 1.088 1
1 19 . 19 1 1 A 4 4 THR H H 34 9.623 8.632 0.991 1
1 20 . 19 1 1 A 4 4 THR HA H 34 4.376 4.354 0.022 1
1 25 . 19 1 1 A 4 4 THR N N 34 123.055 116.622 6.433 1
1 26 . 19 1 1 A 5 5 THR H H 35 8.303 8.367 -0.064 1
1 27 . 19 1 1 A 5 5 THR HA H 35 4.567 4.859 -0.292 1
1 32 . 19 1 1 A 5 5 THR N N 35 112.573 117.338 -4.765 1
1 33 . 19 1 1 A 6 6 CYS H H 36 8.310 8.541 -0.231 1
1 34 . 19 1 1 A 6 6 CYS HA H 36 4.044 4.643 -0.599 1
1 37 . 19 1 1 A 6 6 CYS N N 36 119.577 122.337 -2.760 1
1 38 . 19 1 1 A 7 7 GLY H H 37 9.375 8.813 0.562 1
1 39 . 19 1 1 A 7 7 GLY HA2 H 37 3.892 3.821 0.071 1
1 40 . 19 1 1 A 7 7 GLY HA3 H 37 3.974 3.823 0.151 1
1 41 . 19 1 1 A 7 7 GLY N N 37 123.215 113.262 9.953 1
1 42 . 19 1 1 A 8 8 CYS H H 38 7.181 7.599 -0.418 1
1 43 . 19 1 1 A 8 8 CYS HA H 38 4.507 4.354 0.153 1
1 46 . 19 1 1 A 8 8 CYS N N 38 117.576 118.191 -0.615 1
1 47 . 19 1 1 A 9 9 GLY H H 39 8.218 9.009 -0.791 1
1 48 . 19 1 1 A 9 9 GLY HA2 H 39 4.453 3.966 0.487 1
1 49 . 19 1 1 A 9 9 GLY HA3 H 39 4.453 3.969 0.484 1
1 50 . 19 1 1 A 9 9 GLY N N 39 111.592 111.699 -0.107 1
1 51 . 19 1 1 A 10 10 GLU H H 40 8.189 7.619 0.570 1
1 52 . 19 1 1 A 10 10 GLU HA H 40 4.453 4.697 -0.244 1
1 57 . 19 1 1 A 10 10 GLU N N 40 122.585 118.317 4.268 1
1 58 . 19 1 1 A 11 11 HIS H H 41 9.047 8.622 0.425 1
1 59 . 19 1 1 A 11 11 HIS HA H 41 4.348 4.567 -0.219 1
1 64 . 19 1 1 A 11 11 HIS N N 41 123.245 124.748 -1.503 1
1 65 . 19 1 1 A 12 12 CYS H H 42 8.400 8.652 -0.252 1
1 66 . 19 1 1 A 12 12 CYS HA H 42 4.392 4.827 -0.435 1
1 69 . 19 1 1 A 12 12 CYS N N 42 125.049 122.008 3.041 1
1 70 . 19 1 1 A 13 13 GLY H H 43 8.437 9.091 -0.654 1
1 71 . 19 1 1 A 13 13 GLY HA2 H 43 3.724 3.880 -0.156 1
1 72 . 19 1 1 A 13 13 GLY HA3 H 43 3.827 3.882 -0.055 1
1 73 . 19 1 1 A 13 13 GLY N N 43 113.590 113.438 0.152 1
1 74 . 19 1 1 A 14 14 CYS H H 44 7.420 7.908 -0.488 1
1 75 . 19 1 1 A 14 14 CYS HA H 44 4.299 4.408 -0.109 1
1 78 . 19 1 1 A 14 14 CYS N N 44 118.586 115.513 3.073 1
1 79 . 19 1 1 A 15 15 ASN H H 45 7.169 7.866 -0.697 1
1 80 . 19 1 1 A 15 15 ASN HA H 45 4.826 5.164 -0.338 1
1 85 . 19 1 1 A 15 15 ASN N N 45 120.140 118.665 1.475 1
1 86 . 19 1 1 A 16 16 PRO HA H 46 4.103 4.623 -0.520 1
1 93 . 19 1 1 A 17 17 CYS H H 47 8.576 8.238 0.338 1
1 94 . 19 1 1 A 17 17 CYS HA H 47 4.428 4.781 -0.353 1
1 97 . 19 1 1 A 17 17 CYS N N 47 124.271 117.875 6.396 1
1 98 . 19 1 1 A 18 18 ALA H H 48 8.960 8.587 0.373 1
1 99 . 19 1 1 A 18 18 ALA HA H 48 4.157 3.974 0.183 1
1 103 . 19 1 1 A 18 18 ALA N N 48 133.579 122.930 10.649 1
1 104 . 19 1 1 A 19 19 CYS H H 49 9.093 8.098 0.995 1
1 105 . 19 1 1 A 19 19 CYS HA H 49 4.413 4.610 -0.197 1
1 108 . 19 1 1 A 19 19 CYS N N 49 119.595 113.737 5.858 1
1 109 . 19 1 1 A 20 20 GLY H H 50 7.744 8.336 -0.592 1
1 110 . 19 1 1 A 20 20 GLY HA2 H 50 4.099 3.961 0.138 1
1 111 . 19 1 1 A 20 20 GLY HA3 H 50 3.748 3.964 -0.216 1
1 112 . 19 1 1 A 20 20 GLY N N 50 110.042 111.190 -1.148 1
1 113 . 19 1 1 A 21 21 ARG H H 51 8.368 7.541 0.827 1
1 114 . 19 1 1 A 21 21 ARG HA H 51 4.072 4.342 -0.270 1
1 121 . 19 1 1 A 21 21 ARG N N 51 123.936 121.991 1.945 1
1 122 . 19 1 1 A 22 22 GLU H H 52 8.479 9.104 -0.625 1
1 123 . 19 1 1 A 22 22 GLU HA H 52 4.270 4.803 -0.533 1
1 128 . 19 1 1 A 22 22 GLU N N 52 125.329 124.283 1.046 1
1 129 . 19 1 1 A 23 23 GLY H H 53 8.279 8.034 0.245 1
1 130 . 19 1 1 A 23 23 GLY HA2 H 53 4.082 4.063 0.019 1
1 131 . 19 1 1 A 23 23 GLY HA3 H 53 3.834 4.074 -0.240 1
1 132 . 19 1 1 A 23 23 GLY N N 53 109.702 107.267 2.435 1
1 133 . 19 1 1 A 24 24 THR H H 54 8.436 8.549 -0.113 1
1 134 . 19 1 1 A 24 24 THR HA H 54 4.500 4.423 0.077 1
1 139 . 19 1 1 A 24 24 THR N N 54 118.091 115.796 2.295 1
1 140 . 19 1 1 A 25 25 PRO HA H 55 3.884 4.537 -0.653 1
1 147 . 19 1 1 A 26 26 SER H H 56 8.916 8.648 0.268 1
1 148 . 19 1 1 A 26 26 SER HA H 56 4.182 4.190 -0.008 1
1 151 . 19 1 1 A 26 26 SER N N 56 119.151 118.238 0.913 1
1 152 . 19 1 1 A 27 27 GLY H H 57 8.936 8.077 0.859 1
1 153 . 19 1 1 A 27 27 GLY HA2 H 57 3.705 3.990 -0.285 1
1 154 . 19 1 1 A 27 27 GLY HA3 H 57 3.875 3.990 -0.115 1
1 155 . 19 1 1 A 27 27 GLY N N 57 111.837 109.785 2.052 1
1 156 . 19 1 1 A 28 28 ARG H H 58 7.970 8.022 -0.052 1
1 157 . 19 1 1 A 28 28 ARG HA H 58 4.024 4.396 -0.372 1
1 164 . 19 1 1 A 28 28 ARG N N 58 120.058 121.152 -1.094 1
1 165 . 19 1 1 A 29 29 ALA H H 59 8.507 7.355 1.152 1
1 166 . 19 1 1 A 29 29 ALA HA H 59 4.073 4.592 -0.519 1
1 170 . 19 1 1 A 29 29 ALA N N 59 125.094 120.122 4.972 1
1 171 . 19 1 1 A 30 30 ASN H H 60 8.497 8.588 -0.091 1
1 172 . 19 1 1 A 30 30 ASN HA H 60 4.372 5.074 -0.702 1
1 177 . 19 1 1 A 30 30 ASN N N 60 113.096 116.516 -3.420 1
1 178 . 19 1 1 A 31 31 ARG H H 61 7.205 7.767 -0.562 1
1 179 . 19 1 1 A 31 31 ARG HA H 61 4.885 4.386 0.499 1
1 186 . 19 1 1 A 31 31 ARG N N 61 116.323 121.645 -5.322 1
1 187 . 19 1 1 A 32 32 ARG H H 62 8.215 8.713 -0.498 1
1 188 . 19 1 1 A 32 32 ARG HA H 62 3.983 3.902 0.081 1
1 195 . 19 1 1 A 32 32 ARG N N 62 121.556 122.074 -0.518 1
1 196 . 19 1 1 A 33 33 ALA H H 63 8.569 7.917 0.652 1
1 197 . 19 1 1 A 33 33 ALA HA H 63 3.979 4.512 -0.533 1
1 201 . 19 1 1 A 33 33 ALA N N 63 125.837 119.556 6.281 1
1 202 . 19 1 1 A 34 34 ASN H H 64 7.992 8.811 -0.819 1
1 203 . 19 1 1 A 34 34 ASN HA H 64 4.455 4.205 0.250 1
1 208 . 19 1 1 A 34 34 ASN N N 64 112.193 121.203 -9.010 1
1 209 . 19 1 1 A 35 35 CYS H H 65 7.716 7.799 -0.083 1
1 210 . 19 1 1 A 35 35 CYS HA H 65 4.579 4.439 0.140 1
1 213 . 19 1 1 A 35 35 CYS N N 65 122.640 117.549 5.091 1
1 214 . 19 1 1 A 36 36 SER H H 66 9.392 8.881 0.511 1
1 215 . 19 1 1 A 36 36 SER HA H 66 4.764 4.314 0.450 1
1 218 . 19 1 1 A 36 36 SER N N 66 129.091 122.767 6.324 1
1 219 . 19 1 1 A 37 37 CYS H H 67 9.652 7.681 1.971 1
1 220 . 19 1 1 A 37 37 CYS HA H 67 3.926 4.504 -0.578 1
1 223 . 19 1 1 A 37 37 CYS N N 67 125.082 117.167 7.915 1
1 224 . 19 1 1 A 38 38 GLY H H 68 9.023 8.441 0.582 1
1 225 . 19 1 1 A 38 38 GLY HA2 H 68 3.754 4.070 -0.316 1
1 226 . 19 1 1 A 38 38 GLY HA3 H 68 4.221 4.070 0.151 1
1 227 . 19 1 1 A 38 38 GLY N N 68 109.840 108.655 1.185 1
1 228 . 19 1 1 A 39 39 ALA H H 69 8.537 7.859 0.678 1
1 229 . 19 1 1 A 39 39 ALA HA H 69 3.726 4.241 -0.515 1
1 233 . 19 1 1 A 39 39 ALA N N 69 121.278 123.951 -2.673 1
1 234 . 19 1 1 A 40 40 ALA H H 70 8.170 8.576 -0.406 1
1 235 . 19 1 1 A 40 40 ALA HA H 70 4.189 3.847 0.342 1
1 239 . 19 1 1 A 40 40 ALA N N 70 117.964 119.993 -2.029 1
1 240 . 19 1 1 A 41 41 CYS H H 71 6.933 7.813 -0.880 1
1 241 . 19 1 1 A 41 41 CYS HA H 71 3.880 5.029 -1.149 1
1 244 . 19 1 1 A 41 41 CYS N N 71 121.577 115.208 6.369 1
1 245 . 19 1 1 A 42 42 ASN H H 72 8.623 8.636 -0.013 1
1 246 . 19 1 1 A 42 42 ASN HA H 72 4.885 5.055 -0.170 1
1 251 . 19 1 1 A 42 42 ASN N N 72 128.800 123.818 4.982 1
1 252 . 19 1 1 A 43 43 CYS H H 73 8.668 7.346 1.322 1
1 253 . 19 1 1 A 43 43 CYS HA H 73 4.035 4.257 -0.222 1
1 256 . 19 1 1 A 43 43 CYS N N 73 126.110 120.274 5.836 1
1 257 . 19 1 1 A 44 44 ALA H H 74 9.196 8.919 0.277 1
1 258 . 19 1 1 A 44 44 ALA HA H 74 4.099 3.939 0.160 1
1 262 . 19 1 1 A 44 44 ALA N N 74 133.819 131.473 2.346 1
1 263 . 19 1 1 A 45 45 SER H H 75 8.371 7.993 0.378 1
1 264 . 19 1 1 A 45 45 SER HA H 75 4.314 4.211 0.103 1
1 267 . 19 1 1 A 45 45 SER N N 75 116.040 113.036 3.004 1
1 268 . 19 1 1 A 46 46 CYS H H 76 8.221 8.216 0.005 1
1 269 . 19 1 1 A 46 46 CYS HA H 76 4.135 4.364 -0.229 1
1 272 . 19 1 1 A 46 46 CYS N N 76 122.567 119.285 3.282 1
1 273 . 19 1 1 A 47 47 GLY H H 77 7.514 8.131 -0.617 1
1 274 . 19 1 1 A 47 47 GLY HA2 H 77 3.727 3.830 -0.103 1
1 275 . 19 1 1 A 47 47 GLY HA3 H 77 4.206 3.831 0.375 1
1 276 . 19 1 1 A 47 47 GLY N N 77 105.830 110.196 -4.366 1
1 277 . 19 1 1 A 48 48 SER H H 78 7.451 7.549 -0.098 1
1 278 . 19 1 1 A 48 48 SER HA H 78 4.322 4.331 -0.009 1
1 281 . 19 1 1 A 48 48 SER N N 78 114.464 116.737 -2.273 1
1 282 . 19 1 1 A 49 49 ALA H H 79 8.245 8.868 -0.623 1
1 283 . 19 1 1 A 49 49 ALA HA H 79 4.197 4.501 -0.304 1
1 287 . 19 1 1 A 49 49 ALA N N 79 126.080 128.829 -2.749 1
1 288 . 19 1 1 A 50 50 THR H H 80 7.999 8.030 -0.031 1
1 289 . 19 1 1 A 50 50 THR HA H 80 4.208 4.416 -0.208 1
1 294 . 19 1 1 A 50 50 THR N N 80 113.328 110.638 2.690 1
1 295 . 19 1 1 A 51 51 ALA H H 81 8.246 8.092 0.154 1
1 296 . 19 1 1 A 51 51 ALA HA H 81 4.507 4.607 -0.100 1
1 300 . 19 1 1 A 51 51 ALA N N 81 128.270 128.962 -0.692 1
1 301 . 19 1 1 A 52 52 PRO HA H 82 4.327 4.468 -0.141 1
1 5 . 20 1 1 A 2 2 GLU H H 32 8.239 9.156 -0.917 1
1 6 . 20 1 1 A 2 2 GLU HA H 32 4.219 4.005 0.214 1
1 11 . 20 1 1 A 2 2 GLU N N 32 120.194 121.230 -1.036 1
1 12 . 20 1 1 A 3 3 HIS H H 33 8.495 7.881 0.614 1
1 13 . 20 1 1 A 3 3 HIS HA H 33 4.786 5.074 -0.288 1
1 18 . 20 1 1 A 3 3 HIS N N 33 118.099 117.072 1.027 1
1 19 . 20 1 1 A 4 4 THR H H 34 9.623 8.474 1.149 1
1 20 . 20 1 1 A 4 4 THR HA H 34 4.376 4.195 0.181 1
1 25 . 20 1 1 A 4 4 THR N N 34 123.055 116.562 6.493 1
1 26 . 20 1 1 A 5 5 THR H H 35 8.303 8.388 -0.085 1
1 27 . 20 1 1 A 5 5 THR HA H 35 4.567 4.908 -0.341 1
1 32 . 20 1 1 A 5 5 THR N N 35 112.573 116.569 -3.996 1
1 33 . 20 1 1 A 6 6 CYS H H 36 8.310 8.948 -0.638 1
1 34 . 20 1 1 A 6 6 CYS HA H 36 4.044 4.643 -0.599 1
1 37 . 20 1 1 A 6 6 CYS N N 36 119.577 122.432 -2.855 1
1 38 . 20 1 1 A 7 7 GLY H H 37 9.375 8.801 0.574 1
1 39 . 20 1 1 A 7 7 GLY HA2 H 37 3.892 3.818 0.074 1
1 40 . 20 1 1 A 7 7 GLY HA3 H 37 3.974 3.820 0.154 1
1 41 . 20 1 1 A 7 7 GLY N N 37 123.215 113.074 10.141 1
1 42 . 20 1 1 A 8 8 CYS H H 38 7.181 7.679 -0.498 1
1 43 . 20 1 1 A 8 8 CYS HA H 38 4.507 4.375 0.132 1
1 46 . 20 1 1 A 8 8 CYS N N 38 117.576 118.477 -0.901 1
1 47 . 20 1 1 A 9 9 GLY H H 39 8.218 9.553 -1.335 1
1 48 . 20 1 1 A 9 9 GLY HA2 H 39 4.453 3.906 0.547 1
1 49 . 20 1 1 A 9 9 GLY HA3 H 39 4.453 3.910 0.543 1
1 50 . 20 1 1 A 9 9 GLY N N 39 111.592 110.938 0.654 1
1 51 . 20 1 1 A 10 10 GLU H H 40 8.189 7.344 0.845 1
1 52 . 20 1 1 A 10 10 GLU HA H 40 4.453 4.854 -0.401 1
1 57 . 20 1 1 A 10 10 GLU N N 40 122.585 118.561 4.024 1
1 58 . 20 1 1 A 11 11 HIS H H 41 9.047 8.810 0.237 1
1 59 . 20 1 1 A 11 11 HIS HA H 41 4.348 4.660 -0.312 1
1 64 . 20 1 1 A 11 11 HIS N N 41 123.245 124.104 -0.859 1
1 65 . 20 1 1 A 12 12 CYS H H 42 8.400 8.511 -0.111 1
1 66 . 20 1 1 A 12 12 CYS HA H 42 4.392 4.828 -0.436 1
1 69 . 20 1 1 A 12 12 CYS N N 42 125.049 123.088 1.961 1
1 70 . 20 1 1 A 13 13 GLY H H 43 8.437 8.700 -0.263 1
1 71 . 20 1 1 A 13 13 GLY HA2 H 43 3.724 3.854 -0.130 1
1 72 . 20 1 1 A 13 13 GLY HA3 H 43 3.827 3.859 -0.032 1
1 73 . 20 1 1 A 13 13 GLY N N 43 113.590 112.699 0.891 1
1 74 . 20 1 1 A 14 14 CYS H H 44 7.420 7.933 -0.513 1
1 75 . 20 1 1 A 14 14 CYS HA H 44 4.299 4.335 -0.036 1
1 78 . 20 1 1 A 14 14 CYS N N 44 118.586 116.669 1.917 1
1 79 . 20 1 1 A 15 15 ASN H H 45 7.169 7.963 -0.794 1
1 80 . 20 1 1 A 15 15 ASN HA H 45 4.826 5.175 -0.349 1
1 85 . 20 1 1 A 15 15 ASN N N 45 120.140 119.215 0.925 1
1 86 . 20 1 1 A 16 16 PRO HA H 46 4.103 4.538 -0.435 1
1 93 . 20 1 1 A 17 17 CYS H H 47 8.576 8.195 0.381 1
1 94 . 20 1 1 A 17 17 CYS HA H 47 4.428 4.850 -0.422 1
1 97 . 20 1 1 A 17 17 CYS N N 47 124.271 118.172 6.099 1
1 98 . 20 1 1 A 18 18 ALA H H 48 8.960 8.485 0.475 1
1 99 . 20 1 1 A 18 18 ALA HA H 48 4.157 4.087 0.070 1
1 103 . 20 1 1 A 18 18 ALA N N 48 133.579 123.275 10.304 1
1 104 . 20 1 1 A 19 19 CYS H H 49 9.093 7.941 1.152 1
1 105 . 20 1 1 A 19 19 CYS HA H 49 4.413 4.702 -0.289 1
1 108 . 20 1 1 A 19 19 CYS N N 49 119.595 114.802 4.793 1
1 109 . 20 1 1 A 20 20 GLY H H 50 7.744 8.364 -0.620 1
1 110 . 20 1 1 A 20 20 GLY HA2 H 50 4.099 3.987 0.112 1
1 111 . 20 1 1 A 20 20 GLY HA3 H 50 3.748 4.002 -0.254 1
1 112 . 20 1 1 A 20 20 GLY N N 50 110.042 110.736 -0.694 1
1 113 . 20 1 1 A 21 21 ARG H H 51 8.368 7.564 0.804 1
1 114 . 20 1 1 A 21 21 ARG HA H 51 4.072 4.338 -0.266 1
1 121 . 20 1 1 A 21 21 ARG N N 51 123.936 122.689 1.247 1
1 122 . 20 1 1 A 22 22 GLU H H 52 8.479 8.872 -0.393 1
1 123 . 20 1 1 A 22 22 GLU HA H 52 4.270 5.146 -0.876 1
1 128 . 20 1 1 A 22 22 GLU N N 52 125.329 121.266 4.063 1
1 129 . 20 1 1 A 23 23 GLY H H 53 8.279 8.710 -0.431 1
1 130 . 20 1 1 A 23 23 GLY HA2 H 53 4.082 4.139 -0.057 1
1 131 . 20 1 1 A 23 23 GLY HA3 H 53 3.834 4.149 -0.315 1
1 132 . 20 1 1 A 23 23 GLY N N 53 109.702 107.200 2.502 1
1 133 . 20 1 1 A 24 24 THR H H 54 8.436 8.339 0.097 1
1 134 . 20 1 1 A 24 24 THR HA H 54 4.500 4.316 0.184 1
1 139 . 20 1 1 A 24 24 THR N N 54 118.091 114.618 3.473 1
1 140 . 20 1 1 A 25 25 PRO HA H 55 3.884 4.526 -0.642 1
1 147 . 20 1 1 A 26 26 SER H H 56 8.916 8.672 0.244 1
1 148 . 20 1 1 A 26 26 SER HA H 56 4.182 4.437 -0.255 1
1 151 . 20 1 1 A 26 26 SER N N 56 119.151 118.046 1.105 1
1 152 . 20 1 1 A 27 27 GLY H H 57 8.936 8.679 0.257 1
1 153 . 20 1 1 A 27 27 GLY HA2 H 57 3.705 3.877 -0.172 1
1 154 . 20 1 1 A 27 27 GLY HA3 H 57 3.875 3.877 -0.002 1
1 155 . 20 1 1 A 27 27 GLY N N 57 111.837 111.490 0.347 1
1 156 . 20 1 1 A 28 28 ARG H H 58 7.970 7.883 0.087 1
1 157 . 20 1 1 A 28 28 ARG HA H 58 4.024 4.634 -0.610 1
1 164 . 20 1 1 A 28 28 ARG N N 58 120.058 116.346 3.712 1
1 165 . 20 1 1 A 29 29 ALA H H 59 8.507 7.371 1.136 1
1 166 . 20 1 1 A 29 29 ALA HA H 59 4.073 4.496 -0.423 1
1 170 . 20 1 1 A 29 29 ALA N N 59 125.094 120.610 4.484 1
1 171 . 20 1 1 A 30 30 ASN H H 60 8.497 8.929 -0.432 1
1 172 . 20 1 1 A 30 30 ASN HA H 60 4.372 4.591 -0.219 1
1 177 . 20 1 1 A 30 30 ASN N N 60 113.096 116.950 -3.854 1
1 178 . 20 1 1 A 31 31 ARG H H 61 7.205 7.586 -0.381 1
1 179 . 20 1 1 A 31 31 ARG HA H 61 4.885 4.430 0.455 1
1 186 . 20 1 1 A 31 31 ARG N N 61 116.323 120.194 -3.871 1
1 187 . 20 1 1 A 32 32 ARG H H 62 8.215 8.866 -0.651 1
1 188 . 20 1 1 A 32 32 ARG HA H 62 3.983 4.403 -0.420 1
1 195 . 20 1 1 A 32 32 ARG N N 62 121.556 123.028 -1.472 1
1 196 . 20 1 1 A 33 33 ALA H H 63 8.569 7.998 0.571 1
1 197 . 20 1 1 A 33 33 ALA HA H 63 3.979 4.106 -0.127 1
1 201 . 20 1 1 A 33 33 ALA N N 63 125.837 119.083 6.754 1
1 202 . 20 1 1 A 34 34 ASN H H 64 7.992 8.261 -0.269 1
1 203 . 20 1 1 A 34 34 ASN HA H 64 4.455 4.937 -0.482 1
1 208 . 20 1 1 A 34 34 ASN N N 64 112.193 113.931 -1.738 1
1 209 . 20 1 1 A 35 35 CYS H H 65 7.716 7.706 0.010 1
1 210 . 20 1 1 A 35 35 CYS HA H 65 4.579 4.513 0.066 1
1 213 . 20 1 1 A 35 35 CYS N N 65 122.640 121.653 0.987 1
1 214 . 20 1 1 A 36 36 SER H H 66 9.392 8.462 0.930 1
1 215 . 20 1 1 A 36 36 SER HA H 66 4.764 4.242 0.522 1
1 218 . 20 1 1 A 36 36 SER N N 66 129.091 121.709 7.382 1
1 219 . 20 1 1 A 37 37 CYS H H 67 9.652 7.273 2.379 1
1 220 . 20 1 1 A 37 37 CYS HA H 67 3.926 4.300 -0.374 1
1 223 . 20 1 1 A 37 37 CYS N N 67 125.082 122.098 2.984 1
1 224 . 20 1 1 A 38 38 GLY H H 68 9.023 8.374 0.649 1
1 225 . 20 1 1 A 38 38 GLY HA2 H 68 3.754 4.065 -0.311 1
1 226 . 20 1 1 A 38 38 GLY HA3 H 68 4.221 4.066 0.155 1
1 227 . 20 1 1 A 38 38 GLY N N 68 109.840 110.342 -0.502 1
1 228 . 20 1 1 A 39 39 ALA H H 69 8.537 8.105 0.432 1
1 229 . 20 1 1 A 39 39 ALA HA H 69 3.726 4.312 -0.586 1
1 233 . 20 1 1 A 39 39 ALA N N 69 121.278 124.355 -3.077 1
1 234 . 20 1 1 A 40 40 ALA H H 70 8.170 8.164 0.006 1
1 235 . 20 1 1 A 40 40 ALA HA H 70 4.189 4.045 0.144 1
1 239 . 20 1 1 A 40 40 ALA N N 70 117.964 121.760 -3.796 1
1 240 . 20 1 1 A 41 41 CYS H H 71 6.933 8.158 -1.225 1
1 241 . 20 1 1 A 41 41 CYS HA H 71 3.880 4.790 -0.910 1
1 244 . 20 1 1 A 41 41 CYS N N 71 121.577 119.190 2.387 1
1 245 . 20 1 1 A 42 42 ASN H H 72 8.623 9.025 -0.402 1
1 246 . 20 1 1 A 42 42 ASN HA H 72 4.885 4.806 0.079 1
1 251 . 20 1 1 A 42 42 ASN N N 72 128.800 125.579 3.221 1
1 252 . 20 1 1 A 43 43 CYS H H 73 8.668 7.276 1.392 1
1 253 . 20 1 1 A 43 43 CYS HA H 73 4.035 4.253 -0.218 1
1 256 . 20 1 1 A 43 43 CYS N N 73 126.110 119.445 6.665 1
1 257 . 20 1 1 A 44 44 ALA H H 74 9.196 8.936 0.260 1
1 258 . 20 1 1 A 44 44 ALA HA H 74 4.099 3.990 0.109 1
1 262 . 20 1 1 A 44 44 ALA N N 74 133.819 131.476 2.343 1
1 263 . 20 1 1 A 45 45 SER H H 75 8.371 8.266 0.105 1
1 264 . 20 1 1 A 45 45 SER HA H 75 4.314 4.124 0.190 1
1 267 . 20 1 1 A 45 45 SER N N 75 116.040 112.687 3.353 1
1 268 . 20 1 1 A 46 46 CYS H H 76 8.221 8.110 0.111 1
1 269 . 20 1 1 A 46 46 CYS HA H 76 4.135 4.367 -0.232 1
1 272 . 20 1 1 A 46 46 CYS N N 76 122.567 118.213 4.354 1
1 273 . 20 1 1 A 47 47 GLY H H 77 7.514 7.976 -0.462 1
1 274 . 20 1 1 A 47 47 GLY HA2 H 77 3.727 3.883 -0.156 1
1 275 . 20 1 1 A 47 47 GLY HA3 H 77 4.206 3.884 0.322 1
1 276 . 20 1 1 A 47 47 GLY N N 77 105.830 110.281 -4.451 1
1 277 . 20 1 1 A 48 48 SER H H 78 7.451 7.704 -0.253 1
1 278 . 20 1 1 A 48 48 SER HA H 78 4.322 4.432 -0.110 1
1 281 . 20 1 1 A 48 48 SER N N 78 114.464 116.408 -1.944 1
1 282 . 20 1 1 A 49 49 ALA H H 79 8.245 8.612 -0.367 1
1 283 . 20 1 1 A 49 49 ALA HA H 79 4.197 4.679 -0.482 1
1 287 . 20 1 1 A 49 49 ALA N N 79 126.080 123.498 2.582 1
1 288 . 20 1 1 A 50 50 THR H H 80 7.999 8.239 -0.240 1
1 289 . 20 1 1 A 50 50 THR HA H 80 4.208 4.661 -0.453 1
1 294 . 20 1 1 A 50 50 THR N N 80 113.328 111.326 2.002 1
1 295 . 20 1 1 A 51 51 ALA H H 81 8.246 7.761 0.485 1
1 296 . 20 1 1 A 51 51 ALA HA H 81 4.507 4.879 -0.372 1
1 300 . 20 1 1 A 51 51 ALA N N 81 128.270 120.993 7.277 1
1 301 . 20 1 1 A 52 52 PRO HA H 82 4.327 4.797 -0.470 1
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Assigned_chem_shift_list_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Entity_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Entity_delta_chem_shifts_ID
1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1
2 1 1 1 "RMS(OBS, PRED)" CA 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 48 0.652 1
5 1 1 1 "RMS(OBS, PRED)" HA 59 0.350 1
6 1 1 1 "RMS(OBS, PRED)" N 48 4.025 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 48 0.597 1
11 1 2 1 "RMS(OBS, PRED)" HA 59 0.382 1
12 1 2 1 "RMS(OBS, PRED)" N 48 4.317 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 48 0.686 1
17 1 3 1 "RMS(OBS, PRED)" HA 59 0.337 1
18 1 3 1 "RMS(OBS, PRED)" N 48 4.121 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 48 0.636 1
23 1 4 1 "RMS(OBS, PRED)" HA 59 0.370 1
24 1 4 1 "RMS(OBS, PRED)" N 48 4.363 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 48 0.690 1
29 1 5 1 "RMS(OBS, PRED)" HA 59 0.360 1
30 1 5 1 "RMS(OBS, PRED)" N 48 4.120 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 48 0.698 1
35 1 6 1 "RMS(OBS, PRED)" HA 59 0.400 1
36 1 6 1 "RMS(OBS, PRED)" N 48 3.975 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 48 0.666 1
41 1 7 1 "RMS(OBS, PRED)" HA 59 0.375 1
42 1 7 1 "RMS(OBS, PRED)" N 48 4.101 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 48 0.642 1
47 1 8 1 "RMS(OBS, PRED)" HA 59 0.374 1
48 1 8 1 "RMS(OBS, PRED)" N 48 4.603 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 48 0.666 1
53 1 9 1 "RMS(OBS, PRED)" HA 59 0.352 1
54 1 9 1 "RMS(OBS, PRED)" N 48 4.120 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 48 0.659 1
59 1 10 1 "RMS(OBS, PRED)" HA 59 0.356 1
60 1 10 1 "RMS(OBS, PRED)" N 48 4.199 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 48 0.676 1
65 1 11 1 "RMS(OBS, PRED)" HA 59 0.369 1
66 1 11 1 "RMS(OBS, PRED)" N 48 4.010 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 48 0.669 1
71 1 12 1 "RMS(OBS, PRED)" HA 59 0.396 1
72 1 12 1 "RMS(OBS, PRED)" N 48 3.955 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 48 0.646 1
77 1 13 1 "RMS(OBS, PRED)" HA 59 0.386 1
78 1 13 1 "RMS(OBS, PRED)" N 48 3.991 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 48 0.652 1
83 1 14 1 "RMS(OBS, PRED)" HA 59 0.370 1
84 1 14 1 "RMS(OBS, PRED)" N 48 4.018 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 48 0.708 1
89 1 15 1 "RMS(OBS, PRED)" HA 59 0.399 1
90 1 15 1 "RMS(OBS, PRED)" N 48 4.064 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 48 0.703 1
95 1 16 1 "RMS(OBS, PRED)" HA 59 0.347 1
96 1 16 1 "RMS(OBS, PRED)" N 48 4.354 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 48 0.676 1
101 1 17 1 "RMS(OBS, PRED)" HA 59 0.330 1
102 1 17 1 "RMS(OBS, PRED)" N 48 4.421 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 48 0.689 1
107 1 18 1 "RMS(OBS, PRED)" HA 59 0.360 1
108 1 18 1 "RMS(OBS, PRED)" N 48 4.298 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 48 0.641 1
113 1 19 1 "RMS(OBS, PRED)" HA 59 0.370 1
114 1 19 1 "RMS(OBS, PRED)" N 48 4.419 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 48 0.718 1
119 1 20 1 "RMS(OBS, PRED)" HA 59 0.370 1
120 1 20 1 "RMS(OBS, PRED)" N 48 4.099 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 5 . 1 1 A 2 2 GLU H H 32 8.239 8.373 -0.134 2
1 6 . 1 1 A 2 2 GLU HA H 32 4.219 4.661 -0.442 2
1 11 . 1 1 A 2 2 GLU N N 32 120.194 120.367 -0.173 2
1 12 . 1 1 A 3 3 HIS H H 33 8.495 8.579 -0.084 2
1 13 . 1 1 A 3 3 HIS HA H 33 4.786 4.949 -0.163 2
1 18 . 1 1 A 3 3 HIS N N 33 118.099 118.848 -0.749 2
1 19 . 1 1 A 4 4 THR H H 34 9.623 8.488 1.135 2
1 20 . 1 1 A 4 4 THR HA H 34 4.376 4.270 0.106 2
1 25 . 1 1 A 4 4 THR N N 34 123.055 116.497 6.558 2
1 26 . 1 1 A 5 5 THR H H 35 8.303 8.383 -0.080 2
1 27 . 1 1 A 5 5 THR HA H 35 4.567 4.848 -0.281 2
1 32 . 1 1 A 5 5 THR N N 35 112.573 116.885 -4.312 2
1 33 . 1 1 A 6 6 CYS H H 36 8.310 8.799 -0.489 2
1 34 . 1 1 A 6 6 CYS HA H 36 4.044 4.652 -0.608 2
1 37 . 1 1 A 6 6 CYS N N 36 119.577 122.290 -2.713 2
1 38 . 1 1 A 7 7 GLY H H 37 9.375 8.779 0.596 2
1 39 . 1 1 A 7 7 GLY HA2 H 37 3.892 3.817 0.075 2
1 40 . 1 1 A 7 7 GLY HA3 H 37 3.974 3.820 0.154 2
1 41 . 1 1 A 7 7 GLY N N 37 123.215 112.809 10.406 2
1 42 . 1 1 A 8 8 CYS H H 38 7.181 7.658 -0.477 2
1 43 . 1 1 A 8 8 CYS HA H 38 4.507 4.388 0.119 2
1 46 . 1 1 A 8 8 CYS N N 38 117.576 117.983 -0.407 2
1 47 . 1 1 A 9 9 GLY H H 39 8.218 9.341 -1.123 2
1 48 . 1 1 A 9 9 GLY HA2 H 39 4.453 3.934 0.519 2
1 49 . 1 1 A 9 9 GLY HA3 H 39 4.453 3.939 0.514 2
1 50 . 1 1 A 9 9 GLY N N 39 111.592 111.194 0.398 2
1 51 . 1 1 A 10 10 GLU H H 40 8.189 7.462 0.727 2
1 52 . 1 1 A 10 10 GLU HA H 40 4.453 4.811 -0.358 2
1 57 . 1 1 A 10 10 GLU N N 40 122.585 117.497 5.088 2
1 58 . 1 1 A 11 11 HIS H H 41 9.047 8.744 0.303 2
1 59 . 1 1 A 11 11 HIS HA H 41 4.348 4.632 -0.284 2
1 64 . 1 1 A 11 11 HIS N N 41 123.245 123.194 0.051 2
1 65 . 1 1 A 12 12 CYS H H 42 8.400 8.597 -0.197 2
1 66 . 1 1 A 12 12 CYS HA H 42 4.392 4.888 -0.496 2
1 69 . 1 1 A 12 12 CYS N N 42 125.049 122.765 2.284 2
1 70 . 1 1 A 13 13 GLY H H 43 8.437 8.832 -0.395 2
1 71 . 1 1 A 13 13 GLY HA2 H 43 3.724 3.864 -0.140 2
1 72 . 1 1 A 13 13 GLY HA3 H 43 3.827 3.870 -0.043 2
1 73 . 1 1 A 13 13 GLY N N 43 113.590 112.925 0.665 2
1 74 . 1 1 A 14 14 CYS H H 44 7.420 8.000 -0.580 2
1 75 . 1 1 A 14 14 CYS HA H 44 4.299 4.352 -0.053 2
1 78 . 1 1 A 14 14 CYS N N 44 118.586 116.510 2.076 2
1 79 . 1 1 A 15 15 ASN H H 45 7.169 7.718 -0.549 2
1 80 . 1 1 A 15 15 ASN HA H 45 4.826 5.162 -0.336 2
1 85 . 1 1 A 15 15 ASN N N 45 120.140 119.091 1.049 2
1 86 . 1 1 A 16 16 PRO HA H 46 4.103 4.596 -0.494 2
1 93 . 1 1 A 17 17 CYS H H 47 8.576 8.211 0.365 2
1 94 . 1 1 A 17 17 CYS HA H 47 4.428 4.812 -0.385 2
1 97 . 1 1 A 17 17 CYS N N 47 124.271 118.212 6.059 2
1 98 . 1 1 A 18 18 ALA H H 48 8.960 8.597 0.363 2
1 99 . 1 1 A 18 18 ALA HA H 48 4.157 4.038 0.119 2
1 103 . 1 1 A 18 18 ALA N N 48 133.579 123.132 10.447 2
1 104 . 1 1 A 19 19 CYS H H 49 9.093 7.991 1.102 2
1 105 . 1 1 A 19 19 CYS HA H 49 4.413 4.675 -0.262 2
1 108 . 1 1 A 19 19 CYS N N 49 119.595 114.493 5.102 2
1 109 . 1 1 A 20 20 GLY H H 50 7.744 8.367 -0.623 2
1 110 . 1 1 A 20 20 GLY HA2 H 50 4.099 3.957 0.142 2
1 111 . 1 1 A 20 20 GLY HA3 H 50 3.748 3.969 -0.221 2
1 112 . 1 1 A 20 20 GLY N N 50 110.042 110.970 -0.928 2
1 113 . 1 1 A 21 21 ARG H H 51 8.368 7.791 0.577 2
1 114 . 1 1 A 21 21 ARG HA H 51 4.072 4.451 -0.379 2
1 121 . 1 1 A 21 21 ARG N N 51 123.936 121.858 2.078 2
1 122 . 1 1 A 22 22 GLU H H 52 8.479 8.885 -0.406 2
1 123 . 1 1 A 22 22 GLU HA H 52 4.270 4.862 -0.592 2
1 128 . 1 1 A 22 22 GLU N N 52 125.329 123.494 1.835 2
1 129 . 1 1 A 23 23 GLY H H 53 8.279 8.309 -0.030 2
1 130 . 1 1 A 23 23 GLY HA2 H 53 4.082 4.060 0.022 2
1 131 . 1 1 A 23 23 GLY HA3 H 53 3.834 4.073 -0.239 2
1 132 . 1 1 A 23 23 GLY N N 53 109.702 109.304 0.398 2
1 133 . 1 1 A 24 24 THR H H 54 8.436 8.401 0.035 2
1 134 . 1 1 A 24 24 THR HA H 54 4.500 4.363 0.137 2
1 139 . 1 1 A 24 24 THR N N 54 118.091 114.346 3.745 2
1 140 . 1 1 A 25 25 PRO HA H 55 3.884 4.627 -0.743 2
1 147 . 1 1 A 26 26 SER H H 56 8.916 8.515 0.401 2
1 148 . 1 1 A 26 26 SER HA H 56 4.182 4.456 -0.274 2
1 151 . 1 1 A 26 26 SER N N 56 119.151 117.664 1.487 2
1 152 . 1 1 A 27 27 GLY H H 57 8.936 8.434 0.502 2
1 153 . 1 1 A 27 27 GLY HA2 H 57 3.705 3.902 -0.197 2
1 154 . 1 1 A 27 27 GLY HA3 H 57 3.875 3.902 -0.027 2
1 155 . 1 1 A 27 27 GLY N N 57 111.837 111.700 0.137 2
1 156 . 1 1 A 28 28 ARG H H 58 7.970 8.240 -0.270 2
1 157 . 1 1 A 28 28 ARG HA H 58 4.024 4.353 -0.329 2
1 164 . 1 1 A 28 28 ARG N N 58 120.058 119.637 0.421 2
1 165 . 1 1 A 29 29 ALA H H 59 8.507 7.555 0.952 2
1 166 . 1 1 A 29 29 ALA HA H 59 4.073 4.503 -0.430 2
1 170 . 1 1 A 29 29 ALA N N 59 125.094 120.823 4.271 2
1 171 . 1 1 A 30 30 ASN H H 60 8.497 8.649 -0.152 2
1 172 . 1 1 A 30 30 ASN HA H 60 4.372 4.648 -0.276 2
1 177 . 1 1 A 30 30 ASN N N 60 113.096 116.504 -3.408 2
1 178 . 1 1 A 31 31 ARG H H 61 7.205 7.681 -0.476 2
1 179 . 1 1 A 31 31 ARG HA H 61 4.885 4.524 0.361 2
1 186 . 1 1 A 31 31 ARG N N 61 116.323 119.767 -3.444 2
1 187 . 1 1 A 32 32 ARG H H 62 8.215 8.812 -0.597 2
1 188 . 1 1 A 32 32 ARG HA H 62 3.983 4.307 -0.324 2
1 195 . 1 1 A 32 32 ARG N N 62 121.556 122.593 -1.037 2
1 196 . 1 1 A 33 33 ALA H H 63 8.569 8.025 0.544 2
1 197 . 1 1 A 33 33 ALA HA H 63 3.979 4.117 -0.138 2
1 201 . 1 1 A 33 33 ALA N N 63 125.837 119.899 5.938 2
1 202 . 1 1 A 34 34 ASN H H 64 7.992 8.308 -0.316 2
1 203 . 1 1 A 34 34 ASN HA H 64 4.455 4.935 -0.480 2
1 208 . 1 1 A 34 34 ASN N N 64 112.193 113.553 -1.360 2
1 209 . 1 1 A 35 35 CYS H H 65 7.716 7.673 0.043 2
1 210 . 1 1 A 35 35 CYS HA H 65 4.579 4.624 -0.045 2
1 213 . 1 1 A 35 35 CYS N N 65 122.640 120.905 1.735 2
1 214 . 1 1 A 36 36 SER H H 66 9.392 8.762 0.630 2
1 215 . 1 1 A 36 36 SER HA H 66 4.764 4.522 0.242 2
1 218 . 1 1 A 36 36 SER N N 66 129.091 121.735 7.356 2
1 219 . 1 1 A 37 37 CYS H H 67 9.652 7.614 2.038 2
1 220 . 1 1 A 37 37 CYS HA H 67 3.926 4.522 -0.596 2
1 223 . 1 1 A 37 37 CYS N N 67 125.082 120.892 4.190 2
1 224 . 1 1 A 38 38 GLY H H 68 9.023 8.390 0.633 2
1 225 . 1 1 A 38 38 GLY HA2 H 68 3.754 4.130 -0.376 2
1 226 . 1 1 A 38 38 GLY HA3 H 68 4.221 4.130 0.091 2
1 227 . 1 1 A 38 38 GLY N N 68 109.840 110.247 -0.407 2
1 228 . 1 1 A 39 39 ALA H H 69 8.537 8.122 0.415 2
1 229 . 1 1 A 39 39 ALA HA H 69 3.726 4.288 -0.562 2
1 233 . 1 1 A 39 39 ALA N N 69 121.278 123.226 -1.948 2
1 234 . 1 1 A 40 40 ALA H H 70 8.170 8.297 -0.127 2
1 235 . 1 1 A 40 40 ALA HA H 70 4.189 4.016 0.173 2
1 239 . 1 1 A 40 40 ALA N N 70 117.964 120.617 -2.653 2
1 240 . 1 1 A 41 41 CYS H H 71 6.933 7.911 -0.978 2
1 241 . 1 1 A 41 41 CYS HA H 71 3.880 4.737 -0.857 2
1 244 . 1 1 A 41 41 CYS N N 71 121.577 117.723 3.854 2
1 245 . 1 1 A 42 42 ASN H H 72 8.623 8.778 -0.155 2
1 246 . 1 1 A 42 42 ASN HA H 72 4.885 4.863 0.022 2
1 251 . 1 1 A 42 42 ASN N N 72 128.800 124.120 4.680 2
1 252 . 1 1 A 43 43 CYS H H 73 8.668 7.228 1.440 2
1 253 . 1 1 A 43 43 CYS HA H 73 4.035 4.245 -0.210 2
1 256 . 1 1 A 43 43 CYS N N 73 126.110 119.823 6.287 2
1 257 . 1 1 A 44 44 ALA H H 74 9.196 8.922 0.274 2
1 258 . 1 1 A 44 44 ALA HA H 74 4.099 3.975 0.124 2
1 262 . 1 1 A 44 44 ALA N N 74 133.819 131.375 2.443 2
1 263 . 1 1 A 45 45 SER H H 75 8.371 8.122 0.249 2
1 264 . 1 1 A 45 45 SER HA H 75 4.314 4.200 0.114 2
1 267 . 1 1 A 45 45 SER N N 75 116.040 112.791 3.249 2
1 268 . 1 1 A 46 46 CYS H H 76 8.221 8.134 0.087 2
1 269 . 1 1 A 46 46 CYS HA H 76 4.135 4.485 -0.350 2
1 272 . 1 1 A 46 46 CYS N N 76 122.567 118.413 4.154 2
1 273 . 1 1 A 47 47 GLY H H 77 7.514 8.165 -0.651 2
1 274 . 1 1 A 47 47 GLY HA2 H 77 3.727 3.878 -0.151 2
1 275 . 1 1 A 47 47 GLY HA3 H 77 4.206 3.879 0.327 2
1 276 . 1 1 A 47 47 GLY N N 77 105.830 109.907 -4.077 2
1 277 . 1 1 A 48 48 SER H H 78 7.451 7.831 -0.380 2
1 278 . 1 1 A 48 48 SER HA H 78 4.322 4.404 -0.082 2
1 281 . 1 1 A 48 48 SER N N 78 114.464 115.798 -1.334 2
1 282 . 1 1 A 49 49 ALA H H 79 8.245 8.366 -0.121 2
1 283 . 1 1 A 49 49 ALA HA H 79 4.197 4.535 -0.338 2
1 287 . 1 1 A 49 49 ALA N N 79 126.080 125.243 0.837 2
1 288 . 1 1 A 50 50 THR H H 80 7.999 8.187 -0.188 2
1 289 . 1 1 A 50 50 THR HA H 80 4.208 4.499 -0.291 2
1 294 . 1 1 A 50 50 THR N N 80 113.328 111.201 2.127 2
1 295 . 1 1 A 51 51 ALA H H 81 8.246 8.002 0.244 2
1 296 . 1 1 A 51 51 ALA HA H 81 4.507 4.556 -0.049 2
1 300 . 1 1 A 51 51 ALA N N 81 128.270 124.323 3.947 2
1 301 . 1 1 A 52 52 PRO HA H 82 4.327 4.527 -0.200 2
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