data_15901_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15901
_Entry.PDB_ID 3BDC
_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 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 27 . 1 1 1 A 8 8 HIS H H 8 8.914 9.148 -0.234 1
1 28 . 1 1 1 A 8 8 HIS CA C 8 54.729 53.323 1.406 1
1 29 . 1 1 1 A 8 8 HIS CB C 8 30.891 33.521 -2.630 1
1 30 . 1 1 1 A 8 8 HIS N N 8 117.630 117.463 0.167 1
1 31 . 1 1 1 A 9 9 LYS H H 9 8.627 8.861 -0.234 1
1 32 . 1 1 1 A 9 9 LYS CA C 9 56.134 55.477 0.657 1
1 33 . 1 1 1 A 9 9 LYS CB C 9 34.632 33.303 1.329 1
1 34 . 1 1 1 A 9 9 LYS N N 9 124.016 120.611 3.405 1
1 35 . 1 1 1 A 10 10 GLU H H 10 9.439 9.200 0.239 1
1 36 . 1 1 1 A 10 10 GLU CA C 10 53.424 53.173 0.251 1
1 37 . 1 1 1 A 10 10 GLU CB C 10 33.105 31.552 1.553 1
1 38 . 1 1 1 A 10 10 GLU N N 10 123.050 123.290 -0.240 1
1 39 . 1 1 1 A 11 11 PRO CA C 11 63.252 62.860 0.392 1
1 40 . 1 1 1 A 11 11 PRO CB C 11 33.215 33.083 0.132 1
1 41 . 1 1 1 A 12 12 ALA H H 12 8.063 8.477 -0.414 1
1 42 . 1 1 1 A 12 12 ALA CA C 12 51.668 51.166 0.502 1
1 43 . 1 1 1 A 12 12 ALA CB C 12 24.765 24.065 0.700 1
1 44 . 1 1 1 A 12 12 ALA N N 12 119.762 117.702 2.060 1
1 45 . 1 1 1 A 13 13 THR H H 13 8.109 8.918 -0.809 1
1 46 . 1 1 1 A 13 13 THR CA C 13 60.503 59.766 0.737 1
1 47 . 1 1 1 A 13 13 THR CB C 13 71.561 72.040 -0.479 1
1 48 . 1 1 1 A 13 13 THR N N 13 108.771 109.477 -0.706 1
1 49 . 1 1 1 A 14 14 LEU H H 14 9.194 8.972 0.222 1
1 50 . 1 1 1 A 14 14 LEU CA C 14 56.782 56.343 0.439 1
1 51 . 1 1 1 A 14 14 LEU CB C 14 42.956 42.395 0.561 1
1 52 . 1 1 1 A 14 14 LEU N N 14 125.081 125.216 -0.135 1
1 53 . 1 1 1 A 15 15 ILE H H 15 8.439 9.341 -0.902 1
1 54 . 1 1 1 A 15 15 ILE CA C 15 64.172 63.080 1.092 1
1 55 . 1 1 1 A 15 15 ILE CB C 15 38.946 38.445 0.501 1
1 56 . 1 1 1 A 15 15 ILE N N 15 125.130 126.870 -1.740 1
1 57 . 1 1 1 A 16 16 LYS H H 16 8.099 7.911 0.188 1
1 58 . 1 1 1 A 16 16 LYS CA C 16 56.486 55.901 0.585 1
1 59 . 1 1 1 A 16 16 LYS CB C 16 35.716 35.735 -0.019 1
1 60 . 1 1 1 A 16 16 LYS N N 16 114.577 117.094 -2.517 1
1 61 . 1 1 1 A 17 17 ALA H H 17 9.489 9.138 0.351 1
1 62 . 1 1 1 A 17 17 ALA CA C 17 52.396 52.793 -0.397 1
1 63 . 1 1 1 A 17 17 ALA CB C 17 18.421 19.212 -0.791 1
1 64 . 1 1 1 A 17 17 ALA N N 17 129.699 127.643 2.056 1
1 65 . 1 1 1 A 18 18 ILE H H 18 8.067 9.312 -1.245 1
1 66 . 1 1 1 A 18 18 ILE CA C 18 63.331 62.703 0.628 1
1 67 . 1 1 1 A 18 18 ILE CB C 18 38.316 38.692 -0.376 1
1 68 . 1 1 1 A 18 18 ILE N N 18 123.578 123.371 0.207 1
1 69 . 1 1 1 A 19 19 ASP H H 19 8.250 8.467 -0.217 1
1 70 . 1 1 1 A 19 19 ASP CA C 19 53.893 53.126 0.767 1
1 71 . 1 1 1 A 19 19 ASP CB C 19 39.546 41.574 -2.028 1
1 72 . 1 1 1 A 19 19 ASP N N 19 119.309 117.843 1.466 1
1 73 . 1 1 1 A 20 20 GLY H H 20 8.426 9.289 -0.863 1
1 74 . 1 1 1 A 20 20 GLY CA C 20 47.781 47.628 0.153 1
1 75 . 1 1 1 A 20 20 GLY N N 20 103.205 104.951 -1.746 1
1 76 . 1 1 1 A 21 21 ASP H H 21 7.718 8.228 -0.510 1
1 77 . 1 1 1 A 21 21 ASP CA C 21 51.144 52.807 -1.663 1
1 78 . 1 1 1 A 21 21 ASP CB C 21 38.526 41.771 -3.245 1
1 79 . 1 1 1 A 21 21 ASP N N 21 110.574 113.001 -2.427 1
1 80 . 1 1 1 A 22 22 THR H H 22 7.594 7.973 -0.379 1
1 81 . 1 1 1 A 22 22 THR CA C 22 61.633 60.599 1.034 1
1 82 . 1 1 1 A 22 22 THR CB C 22 70.291 71.319 -1.028 1
1 83 . 1 1 1 A 22 22 THR N N 22 115.289 110.340 4.949 1
1 84 . 1 1 1 A 23 23 VAL H H 23 9.029 9.031 -0.002 1
1 85 . 1 1 1 A 23 23 VAL CA C 23 60.084 59.965 0.119 1
1 86 . 1 1 1 A 23 23 VAL CB C 23 36.379 35.657 0.722 1
1 87 . 1 1 1 A 23 23 VAL N N 23 119.319 121.369 -2.050 1
1 88 . 1 1 1 A 24 24 LYS H H 24 9.496 9.124 0.372 1
1 89 . 1 1 1 A 24 24 LYS CA C 24 55.949 55.034 0.915 1
1 90 . 1 1 1 A 24 24 LYS CB C 24 34.662 34.389 0.273 1
1 91 . 1 1 1 A 24 24 LYS N N 24 127.279 127.555 -0.276 1
1 92 . 1 1 1 A 25 25 LEU H H 25 9.422 9.193 0.229 1
1 93 . 1 1 1 A 25 25 LEU CA C 25 53.113 53.371 -0.258 1
1 94 . 1 1 1 A 25 25 LEU CB C 25 45.528 45.483 0.045 1
1 95 . 1 1 1 A 25 25 LEU N N 25 127.235 128.514 -1.279 1
1 96 . 1 1 1 A 26 26 MET H H 26 9.572 9.201 0.371 1
1 97 . 1 1 1 A 26 26 MET CA C 26 54.652 54.314 0.338 1
1 98 . 1 1 1 A 26 26 MET CB C 26 31.449 33.854 -2.405 1
1 99 . 1 1 1 A 26 26 MET N N 26 122.180 122.722 -0.542 1
1 100 . 1 1 1 A 27 27 TYR H H 27 9.085 9.254 -0.169 1
1 101 . 1 1 1 A 27 27 TYR CA C 27 56.830 57.432 -0.602 1
1 102 . 1 1 1 A 27 27 TYR CB C 27 41.973 41.827 0.146 1
1 103 . 1 1 1 A 27 27 TYR N N 27 129.755 128.927 0.828 1
1 104 . 1 1 1 A 28 28 LYS H H 28 9.337 10.564 -1.227 1
1 105 . 1 1 1 A 28 28 LYS CA C 28 57.461 57.015 0.446 1
1 106 . 1 1 1 A 28 28 LYS CB C 28 29.772 29.871 -0.099 1
1 107 . 1 1 1 A 28 28 LYS N N 28 127.514 130.005 -2.491 1
1 108 . 1 1 1 A 29 29 GLY H H 29 8.479 8.886 -0.407 1
1 109 . 1 1 1 A 29 29 GLY CA C 29 45.590 45.344 0.246 1
1 110 . 1 1 1 A 29 29 GLY N N 29 102.430 104.493 -2.063 1
1 111 . 1 1 1 A 30 30 GLN H H 30 7.802 8.289 -0.487 1
1 112 . 1 1 1 A 30 30 GLN CA C 30 52.490 52.542 -0.052 1
1 113 . 1 1 1 A 30 30 GLN CB C 30 31.603 30.010 1.593 1
1 114 . 1 1 1 A 30 30 GLN N N 30 119.107 121.581 -2.474 1
1 115 . 1 1 1 A 31 31 PRO CA C 31 62.727 63.101 -0.374 1
1 116 . 1 1 1 A 31 31 PRO CB C 31 32.155 32.287 -0.132 1
1 117 . 1 1 1 A 32 32 MET H H 32 9.623 9.095 0.528 1
1 118 . 1 1 1 A 32 32 MET CA C 32 56.023 54.345 1.678 1
1 119 . 1 1 1 A 32 32 MET CB C 32 37.035 36.281 0.754 1
1 120 . 1 1 1 A 32 32 MET N N 32 126.093 121.964 4.129 1
1 121 . 1 1 1 A 33 33 THR H H 33 8.989 9.031 -0.042 1
1 122 . 1 1 1 A 33 33 THR CA C 33 63.884 62.771 1.113 1
1 123 . 1 1 1 A 33 33 THR CB C 33 68.488 69.567 -1.079 1
1 124 . 1 1 1 A 33 33 THR N N 33 124.142 121.455 2.687 1
1 125 . 1 1 1 A 34 34 PHE H H 34 9.593 9.420 0.173 1
1 126 . 1 1 1 A 34 34 PHE CA C 34 57.314 56.472 0.842 1
1 127 . 1 1 1 A 34 34 PHE CB C 34 42.396 41.479 0.917 1
1 128 . 1 1 1 A 34 34 PHE N N 34 125.544 126.240 -0.696 1
1 129 . 1 1 1 A 35 35 ARG H H 35 9.537 9.264 0.273 1
1 130 . 1 1 1 A 35 35 ARG CA C 35 52.311 54.624 -2.313 1
1 131 . 1 1 1 A 35 35 ARG CB C 35 32.822 32.948 -0.126 1
1 132 . 1 1 1 A 35 35 ARG N N 35 123.229 124.335 -1.106 1
1 133 . 1 1 1 A 36 36 LEU H H 36 8.368 9.035 -0.667 1
1 134 . 1 1 1 A 36 36 LEU CA C 36 55.684 54.800 0.884 1
1 135 . 1 1 1 A 36 36 LEU CB C 36 41.915 42.110 -0.195 1
1 136 . 1 1 1 A 36 36 LEU N N 36 123.061 126.923 -3.862 1
1 137 . 1 1 1 A 37 37 LEU H H 37 7.751 8.973 -1.222 1
1 138 . 1 1 1 A 37 37 LEU CA C 37 55.753 55.779 -0.026 1
1 139 . 1 1 1 A 37 37 LEU CB C 37 44.474 42.433 2.041 1
1 140 . 1 1 1 A 37 37 LEU N N 37 124.713 123.555 1.158 1
1 141 . 1 1 1 A 38 38 LEU H H 38 8.489 9.146 -0.657 1
1 142 . 1 1 1 A 38 38 LEU CA C 38 57.037 56.737 0.300 1
1 143 . 1 1 1 A 38 38 LEU CB C 38 41.087 40.769 0.318 1
1 144 . 1 1 1 A 38 38 LEU N N 38 113.095 117.790 -4.695 1
1 145 . 1 1 1 A 39 39 VAL H H 39 7.026 7.750 -0.724 1
1 146 . 1 1 1 A 39 39 VAL CA C 39 58.570 58.176 0.394 1
1 147 . 1 1 1 A 39 39 VAL CB C 39 35.537 36.355 -0.818 1
1 148 . 1 1 1 A 39 39 VAL N N 39 108.763 114.700 -5.937 1
1 149 . 1 1 1 A 40 40 ASP H H 40 8.869 8.844 0.025 1
1 150 . 1 1 1 A 40 40 ASP CA C 40 53.064 53.921 -0.857 1
1 151 . 1 1 1 A 40 40 ASP CB C 40 42.379 44.201 -1.822 1
1 152 . 1 1 1 A 40 40 ASP N N 40 121.996 120.864 1.132 1
1 153 . 1 1 1 A 41 41 THR H H 41 7.736 8.861 -1.125 1
1 154 . 1 1 1 A 41 41 THR CA C 41 58.351 59.020 -0.669 1
1 155 . 1 1 1 A 41 41 THR CB C 41 67.799 69.004 -1.205 1
1 156 . 1 1 1 A 41 41 THR N N 41 116.052 119.167 -3.115 1
1 157 . 1 1 1 A 42 42 PRO CA C 42 62.152 62.884 -0.732 1
1 158 . 1 1 1 A 42 42 PRO CB C 42 31.815 32.365 -0.550 1
1 167 . 1 1 1 A 45 45 ASN H H 51 7.857 8.575 -0.718 1
1 168 . 1 1 1 A 45 45 ASN CA C 51 52.793 54.018 -1.225 1
1 169 . 1 1 1 A 45 45 ASN CB C 51 37.474 37.801 -0.327 1
1 170 . 1 1 1 A 45 45 ASN N N 51 110.687 113.776 -3.089 1
1 171 . 1 1 1 A 46 46 GLU H H 52 7.980 8.131 -0.151 1
1 172 . 1 1 1 A 46 46 GLU CA C 52 54.389 54.462 -0.073 1
1 173 . 1 1 1 A 46 46 GLU CB C 52 32.162 30.973 1.189 1
1 174 . 1 1 1 A 46 46 GLU N N 52 120.460 119.937 0.523 1
1 175 . 1 1 1 A 47 47 LYS H H 53 8.552 8.865 -0.313 1
1 176 . 1 1 1 A 47 47 LYS CA C 53 59.093 57.679 1.414 1
1 177 . 1 1 1 A 47 47 LYS CB C 53 31.721 32.353 -0.632 1
1 178 . 1 1 1 A 47 47 LYS N N 53 124.818 122.878 1.940 1
1 179 . 1 1 1 A 48 48 TYR H H 54 8.658 8.959 -0.301 1
1 180 . 1 1 1 A 48 48 TYR CA C 54 62.353 59.767 2.586 1
1 181 . 1 1 1 A 48 48 TYR CB C 54 35.220 36.003 -0.783 1
1 182 . 1 1 1 A 48 48 TYR N N 54 116.090 121.579 -5.489 1
1 183 . 1 1 1 A 49 49 GLY H H 55 8.725 8.399 0.326 1
1 184 . 1 1 1 A 49 49 GLY CA C 55 48.929 47.890 1.039 1
1 185 . 1 1 1 A 49 49 GLY N N 55 109.636 108.161 1.475 1
1 186 . 1 1 1 A 50 50 PRO CA C 56 65.153 65.467 -0.314 1
1 187 . 1 1 1 A 50 50 PRO CB C 56 31.437 30.769 0.668 1
1 188 . 1 1 1 A 51 51 GLU H H 57 9.008 8.635 0.373 1
1 189 . 1 1 1 A 51 51 GLU CA C 57 61.576 60.461 1.115 1
1 190 . 1 1 1 A 51 51 GLU CB C 57 28.387 29.260 -0.873 1
1 191 . 1 1 1 A 51 51 GLU N N 57 120.649 117.452 3.197 1
1 192 . 1 1 1 A 52 52 ALA H H 58 8.991 8.471 0.520 1
1 193 . 1 1 1 A 52 52 ALA CA C 58 55.951 55.283 0.668 1
1 194 . 1 1 1 A 52 52 ALA CB C 58 18.251 18.131 0.120 1
1 195 . 1 1 1 A 52 52 ALA N N 58 124.842 123.351 1.491 1
1 196 . 1 1 1 A 53 53 SER H H 59 8.209 8.384 -0.175 1
1 197 . 1 1 1 A 53 53 SER CA C 59 63.021 62.041 0.980 1
1 198 . 1 1 1 A 53 53 SER CB C 59 62.319 63.056 -0.737 1
1 199 . 1 1 1 A 53 53 SER N N 59 111.747 113.677 -1.930 1
1 200 . 1 1 1 A 54 54 ALA H H 60 8.490 8.094 0.396 1
1 201 . 1 1 1 A 54 54 ALA CA C 60 54.988 55.085 -0.097 1
1 202 . 1 1 1 A 54 54 ALA CB C 60 18.408 18.552 -0.144 1
1 203 . 1 1 1 A 54 54 ALA N N 60 122.700 123.542 -0.842 1
1 204 . 1 1 1 A 55 55 PHE H H 61 8.245 8.279 -0.034 1
1 205 . 1 1 1 A 55 55 PHE CA C 61 61.743 61.672 0.071 1
1 206 . 1 1 1 A 55 55 PHE CB C 61 39.928 39.143 0.785 1
1 207 . 1 1 1 A 55 55 PHE N N 61 121.613 119.580 2.033 1
1 208 . 1 1 1 A 56 56 THR H H 62 8.537 8.571 -0.034 1
1 209 . 1 1 1 A 56 56 THR CA C 62 67.514 67.588 -0.074 1
1 210 . 1 1 1 A 56 56 THR CB C 62 68.356 68.411 -0.055 1
1 211 . 1 1 1 A 56 56 THR N N 62 120.317 116.751 3.566 1
1 212 . 1 1 1 A 57 57 LYS H H 63 7.876 8.555 -0.679 1
1 213 . 1 1 1 A 57 57 LYS CA C 63 60.199 59.798 0.401 1
1 214 . 1 1 1 A 57 57 LYS CB C 63 33.249 32.737 0.512 1
1 215 . 1 1 1 A 57 57 LYS N N 63 119.915 121.258 -1.343 1
1 216 . 1 1 1 A 58 58 LYS H H 64 8.009 8.151 -0.142 1
1 217 . 1 1 1 A 58 58 LYS CA C 64 59.305 59.283 0.022 1
1 218 . 1 1 1 A 58 58 LYS CB C 64 32.071 32.123 -0.052 1
1 219 . 1 1 1 A 58 58 LYS N N 64 117.326 118.786 -1.460 1
1 220 . 1 1 1 A 59 59 MET H H 65 7.680 8.430 -0.750 1
1 221 . 1 1 1 A 59 59 MET CA C 65 59.791 59.140 0.651 1
1 222 . 1 1 1 A 59 59 MET CB C 65 32.340 32.374 -0.034 1
1 223 . 1 1 1 A 59 59 MET N N 65 116.012 117.134 -1.122 1
1 224 . 1 1 1 A 60 60 VAL H H 66 8.173 8.218 -0.045 1
1 225 . 1 1 1 A 60 60 VAL CA C 66 64.304 65.443 -1.139 1
1 226 . 1 1 1 A 60 60 VAL CB C 66 31.423 31.450 -0.027 1
1 227 . 1 1 1 A 60 60 VAL N N 66 107.639 111.788 -4.149 1
1 228 . 1 1 1 A 61 61 GLU H H 67 8.737 8.475 0.262 1
1 229 . 1 1 1 A 61 61 GLU CA C 67 59.229 59.365 -0.136 1
1 230 . 1 1 1 A 61 61 GLU CB C 67 29.094 29.523 -0.429 1
1 231 . 1 1 1 A 61 61 GLU N N 67 121.151 121.522 -0.371 1
1 232 . 1 1 1 A 62 62 ASN H H 68 7.431 8.150 -0.719 1
1 233 . 1 1 1 A 62 62 ASN CA C 68 53.361 54.573 -1.212 1
1 234 . 1 1 1 A 62 62 ASN CB C 68 38.966 38.767 0.199 1
1 235 . 1 1 1 A 62 62 ASN N N 68 113.516 116.143 -2.627 1
1 236 . 1 1 1 A 63 63 ALA H H 69 6.685 7.713 -1.028 1
1 237 . 1 1 1 A 63 63 ALA CA C 69 51.391 52.538 -1.147 1
1 238 . 1 1 1 A 63 63 ALA CB C 69 19.405 19.332 0.073 1
1 239 . 1 1 1 A 63 63 ALA N N 69 121.128 121.776 -0.648 1
1 240 . 1 1 1 A 64 64 LYS H H 70 10.131 9.008 1.123 1
1 241 . 1 1 1 A 64 64 LYS CA C 70 57.860 57.809 0.051 1
1 242 . 1 1 1 A 64 64 LYS CB C 70 32.219 32.878 -0.659 1
1 243 . 1 1 1 A 64 64 LYS N N 70 125.835 119.807 6.028 1
1 244 . 1 1 1 A 65 65 LYS H H 71 8.955 7.954 1.001 1
1 245 . 1 1 1 A 65 65 LYS CA C 71 55.446 55.178 0.268 1
1 246 . 1 1 1 A 65 65 LYS CB C 71 35.451 35.361 0.090 1
1 247 . 1 1 1 A 65 65 LYS N N 71 121.391 119.641 1.750 1
1 248 . 1 1 1 A 66 66 ILE H H 72 9.005 9.326 -0.321 1
1 249 . 1 1 1 A 66 66 ILE CA C 72 58.556 59.767 -1.211 1
1 250 . 1 1 1 A 66 66 ILE CB C 72 38.247 40.037 -1.790 1
1 251 . 1 1 1 A 66 66 ILE N N 72 129.009 127.953 1.056 1
1 252 . 1 1 1 A 67 67 GLU H H 73 8.779 9.286 -0.507 1
1 253 . 1 1 1 A 67 67 GLU CA C 73 53.800 54.131 -0.331 1
1 254 . 1 1 1 A 67 67 GLU CB C 73 36.325 34.331 1.994 1
1 255 . 1 1 1 A 67 67 GLU N N 73 123.081 125.240 -2.159 1
1 256 . 1 1 1 A 68 68 VAL H H 74 9.590 9.048 0.542 1
1 257 . 1 1 1 A 68 68 VAL CA C 74 59.527 61.033 -1.506 1
1 258 . 1 1 1 A 68 68 VAL CB C 74 34.753 33.244 1.509 1
1 259 . 1 1 1 A 68 68 VAL N N 74 117.006 122.509 -5.503 1
1 260 . 1 1 1 A 69 69 GLU H H 75 8.842 9.277 -0.435 1
1 261 . 1 1 1 A 69 69 GLU CA C 75 54.484 54.667 -0.183 1
1 262 . 1 1 1 A 69 69 GLU CB C 75 35.784 33.328 2.456 1
1 263 . 1 1 1 A 69 69 GLU N N 75 126.257 128.052 -1.795 1
1 264 . 1 1 1 A 70 70 PHE H H 76 8.954 8.931 0.023 1
1 265 . 1 1 1 A 70 70 PHE CA C 76 59.632 58.904 0.728 1
1 266 . 1 1 1 A 70 70 PHE CB C 76 39.966 39.676 0.290 1
1 267 . 1 1 1 A 70 70 PHE N N 76 127.109 126.324 0.785 1
1 268 . 1 1 1 A 71 71 ASP H H 77 9.461 8.740 0.721 1
1 269 . 1 1 1 A 71 71 ASP CA C 77 51.634 52.631 -0.997 1
1 270 . 1 1 1 A 71 71 ASP CB C 77 43.589 44.754 -1.165 1
1 271 . 1 1 1 A 71 71 ASP N N 77 123.534 124.577 -1.043 1
1 272 . 1 1 1 A 72 72 LYS H H 78 10.584 8.856 1.728 1
1 273 . 1 1 1 A 72 72 LYS CA C 78 57.293 57.371 -0.078 1
1 274 . 1 1 1 A 72 72 LYS CB C 78 33.522 33.055 0.467 1
1 275 . 1 1 1 A 72 72 LYS N N 78 119.066 120.973 -1.907 1
1 276 . 1 1 1 A 73 73 GLY H H 79 8.216 8.001 0.215 1
1 277 . 1 1 1 A 73 73 GLY CA C 79 44.705 44.415 0.290 1
1 278 . 1 1 1 A 73 73 GLY N N 79 112.009 108.004 4.005 1
1 279 . 1 1 1 A 74 74 GLN H H 80 8.381 8.572 -0.191 1
1 280 . 1 1 1 A 74 74 GLN CA C 80 56.977 56.147 0.830 1
1 281 . 1 1 1 A 74 74 GLN CB C 80 29.805 29.193 0.612 1
1 282 . 1 1 1 A 74 74 GLN N N 80 123.414 118.027 5.387 1
1 283 . 1 1 1 A 75 75 ARG H H 81 8.711 9.091 -0.380 1
1 284 . 1 1 1 A 75 75 ARG CA C 81 58.411 57.066 1.345 1
1 285 . 1 1 1 A 75 75 ARG CB C 81 32.344 30.610 1.734 1
1 286 . 1 1 1 A 75 75 ARG N N 81 123.454 122.957 0.497 1
1 287 . 1 1 1 A 76 76 THR H H 82 7.296 8.052 -0.756 1
1 288 . 1 1 1 A 76 76 THR CA C 82 58.086 61.136 -3.050 1
1 289 . 1 1 1 A 76 76 THR CB C 82 72.553 71.868 0.685 1
1 290 . 1 1 1 A 76 76 THR N N 82 106.052 114.834 -8.782 1
1 291 . 1 1 1 A 77 77 ASP H H 83 8.638 8.761 -0.123 1
1 292 . 1 1 1 A 77 77 ASP CA C 83 51.957 52.124 -0.167 1
1 293 . 1 1 1 A 77 77 ASP CB C 83 41.885 41.331 0.554 1
1 294 . 1 1 1 A 77 77 ASP N N 83 120.889 124.159 -3.270 1
1 295 . 1 1 1 A 78 78 LYS H H 84 8.279 9.251 -0.972 1
1 296 . 1 1 1 A 78 78 LYS CA C 84 58.147 57.980 0.167 1
1 297 . 1 1 1 A 78 78 LYS CB C 84 31.602 31.594 0.008 1
1 298 . 1 1 1 A 78 78 LYS N N 84 116.803 116.953 -0.150 1
1 299 . 1 1 1 A 79 79 TYR H H 85 7.959 7.744 0.215 1
1 300 . 1 1 1 A 79 79 TYR CA C 85 57.028 57.807 -0.779 1
1 301 . 1 1 1 A 79 79 TYR CB C 85 38.112 38.965 -0.853 1
1 302 . 1 1 1 A 79 79 TYR N N 85 119.031 119.721 -0.690 1
1 303 . 1 1 1 A 80 80 GLY H H 86 8.132 8.305 -0.173 1
1 304 . 1 1 1 A 80 80 GLY CA C 86 45.471 45.572 -0.101 1
1 305 . 1 1 1 A 80 80 GLY N N 86 108.408 109.122 -0.714 1
1 306 . 1 1 1 A 81 81 ARG H H 87 8.539 7.915 0.624 1
1 307 . 1 1 1 A 81 81 ARG CA C 87 55.797 55.508 0.289 1
1 308 . 1 1 1 A 81 81 ARG CB C 87 29.954 31.254 -1.300 1
1 309 . 1 1 1 A 81 81 ARG N N 87 121.439 120.552 0.887 1
1 310 . 1 1 1 A 82 82 GLY H H 88 8.709 8.873 -0.164 1
1 311 . 1 1 1 A 82 82 GLY CA C 88 45.256 45.038 0.218 1
1 312 . 1 1 1 A 82 82 GLY N N 88 108.481 109.228 -0.747 1
1 313 . 1 1 1 A 83 83 LEU H H 89 8.376 8.805 -0.429 1
1 314 . 1 1 1 A 83 83 LEU CA C 89 52.800 53.307 -0.507 1
1 315 . 1 1 1 A 83 83 LEU CB C 89 42.236 42.817 -0.581 1
1 316 . 1 1 1 A 83 83 LEU N N 89 125.826 125.486 0.340 1
1 317 . 1 1 1 A 84 84 ALA H H 90 7.506 8.985 -1.479 1
1 318 . 1 1 1 A 84 84 ALA CA C 90 50.585 51.097 -0.512 1
1 319 . 1 1 1 A 84 84 ALA CB C 90 23.900 22.889 1.011 1
1 320 . 1 1 1 A 84 84 ALA N N 90 120.317 123.405 -3.088 1
1 321 . 1 1 1 A 85 85 TYR H H 91 9.030 8.946 0.084 1
1 322 . 1 1 1 A 85 85 TYR CA C 91 57.203 57.437 -0.234 1
1 323 . 1 1 1 A 85 85 TYR CB C 91 37.733 39.880 -2.147 1
1 324 . 1 1 1 A 85 85 TYR N N 91 122.639 118.869 3.770 1
1 325 . 1 1 1 A 86 86 ILE H H 92 7.952 9.243 -1.291 1
1 326 . 1 1 1 A 86 86 ILE CA C 92 58.682 59.136 -0.454 1
1 327 . 1 1 1 A 86 86 ILE CB C 92 39.000 39.292 -0.292 1
1 328 . 1 1 1 A 86 86 ILE N N 92 122.433 123.095 -0.662 1
1 329 . 1 1 1 A 87 87 TYR H H 93 9.555 9.353 0.202 1
1 330 . 1 1 1 A 87 87 TYR CA C 93 56.325 56.337 -0.012 1
1 331 . 1 1 1 A 87 87 TYR CB C 93 41.500 42.506 -1.006 1
1 332 . 1 1 1 A 87 87 TYR N N 93 126.293 126.361 -0.068 1
1 333 . 1 1 1 A 88 88 ALA H H 94 9.312 8.883 0.429 1
1 334 . 1 1 1 A 88 88 ALA CA C 94 49.800 50.417 -0.617 1
1 335 . 1 1 1 A 88 88 ALA CB C 94 21.071 21.004 0.067 1
1 336 . 1 1 1 A 88 88 ALA N N 94 125.675 125.078 0.597 1
1 337 . 1 1 1 A 89 89 ASP H H 95 9.726 9.730 -0.004 1
1 338 . 1 1 1 A 89 89 ASP CA C 95 56.440 55.802 0.638 1
1 339 . 1 1 1 A 89 89 ASP CB C 95 39.579 39.664 -0.085 1
1 340 . 1 1 1 A 89 89 ASP N N 95 127.563 126.432 1.131 1
1 341 . 1 1 1 A 90 90 GLY H H 96 9.346 8.716 0.630 1
1 342 . 1 1 1 A 90 90 GLY CA C 96 45.352 45.381 -0.029 1
1 343 . 1 1 1 A 90 90 GLY N N 96 103.075 103.600 -0.525 1
1 344 . 1 1 1 A 91 91 LYS H H 97 7.867 8.052 -0.185 1
1 345 . 1 1 1 A 91 91 LYS CA C 97 54.328 55.250 -0.922 1
1 346 . 1 1 1 A 91 91 LYS CB C 97 33.144 33.368 -0.224 1
1 347 . 1 1 1 A 91 91 LYS N N 97 121.422 120.512 0.910 1
1 348 . 1 1 1 A 92 92 MET H H 98 9.391 9.107 0.284 1
1 349 . 1 1 1 A 92 92 MET CA C 98 56.108 55.633 0.475 1
1 350 . 1 1 1 A 92 92 MET CB C 98 34.376 32.942 1.434 1
1 351 . 1 1 1 A 92 92 MET N N 98 126.826 124.287 2.539 1
1 352 . 1 1 1 A 93 93 VAL H H 99 10.114 8.841 1.273 1
1 353 . 1 1 1 A 93 93 VAL CA C 99 65.768 66.037 -0.269 1
1 354 . 1 1 1 A 93 93 VAL CB C 99 32.546 32.044 0.502 1
1 355 . 1 1 1 A 93 93 VAL N N 99 135.935 126.062 9.873 1
1 356 . 1 1 1 A 94 94 ASN H H 100 9.685 8.685 1.000 1
1 357 . 1 1 1 A 94 94 ASN CA C 100 56.946 56.690 0.256 1
1 358 . 1 1 1 A 94 94 ASN CB C 100 34.969 37.882 -2.913 1
1 359 . 1 1 1 A 94 94 ASN N N 100 108.380 118.271 -9.891 1
1 360 . 1 1 1 A 95 95 GLU H H 101 6.126 8.612 -2.486 1
1 361 . 1 1 1 A 95 95 GLU CA C 101 59.054 59.859 -0.805 1
1 362 . 1 1 1 A 95 95 GLU CB C 101 31.039 29.115 1.924 1
1 363 . 1 1 1 A 95 95 GLU N N 101 113.144 120.534 -7.390 1
1 364 . 1 1 1 A 96 96 ALA H H 102 7.864 8.312 -0.448 1
1 365 . 1 1 1 A 96 96 ALA CA C 102 55.356 55.463 -0.107 1
1 366 . 1 1 1 A 96 96 ALA CB C 102 18.291 18.191 0.100 1
1 367 . 1 1 1 A 96 96 ALA N N 102 122.608 122.635 -0.027 1
1 368 . 1 1 1 A 97 97 LEU H H 103 8.089 8.310 -0.221 1
1 369 . 1 1 1 A 97 97 LEU CA C 103 57.966 57.691 0.275 1
1 370 . 1 1 1 A 97 97 LEU CB C 103 45.357 42.766 2.591 1
1 371 . 1 1 1 A 97 97 LEU N N 103 116.409 117.990 -1.581 1
1 372 . 1 1 1 A 98 98 VAL H H 104 6.840 8.347 -1.507 1
1 373 . 1 1 1 A 98 98 VAL CA C 104 65.199 66.974 -1.775 1
1 374 . 1 1 1 A 98 98 VAL CB C 104 31.965 31.393 0.572 1
1 375 . 1 1 1 A 98 98 VAL N N 104 116.414 118.091 -1.677 1
1 376 . 1 1 1 A 99 99 ARG H H 105 9.104 8.391 0.713 1
1 377 . 1 1 1 A 99 99 ARG CA C 105 57.022 59.169 -2.147 1
1 378 . 1 1 1 A 99 99 ARG CB C 105 28.799 29.584 -0.785 1
1 379 . 1 1 1 A 99 99 ARG N N 105 122.604 120.458 2.146 1
1 380 . 1 1 1 A 100 100 GLN H H 106 7.192 8.107 -0.915 1
1 381 . 1 1 1 A 100 100 GLN CA C 106 53.826 55.255 -1.429 1
1 382 . 1 1 1 A 100 100 GLN CB C 106 28.468 28.904 -0.436 1
1 383 . 1 1 1 A 100 100 GLN N N 106 112.727 114.680 -1.953 1
1 384 . 1 1 1 A 101 101 GLY H H 107 8.090 8.335 -0.245 1
1 385 . 1 1 1 A 101 101 GLY CA C 107 46.545 46.602 -0.057 1
1 386 . 1 1 1 A 101 101 GLY N N 107 107.013 107.781 -0.768 1
1 387 . 1 1 1 A 102 102 LEU H H 108 7.739 8.352 -0.613 1
1 388 . 1 1 1 A 102 102 LEU CA C 108 53.209 54.425 -1.216 1
1 389 . 1 1 1 A 102 102 LEU CB C 108 43.431 42.731 0.700 1
1 390 . 1 1 1 A 102 102 LEU N N 108 114.958 116.664 -1.706 1
1 391 . 1 1 1 A 103 103 ALA H H 109 6.944 8.030 -1.086 1
1 392 . 1 1 1 A 103 103 ALA CA C 109 50.314 50.330 -0.016 1
1 393 . 1 1 1 A 103 103 ALA CB C 109 24.885 23.225 1.660 1
1 394 . 1 1 1 A 103 103 ALA N N 109 112.761 119.612 -6.851 1
1 395 . 1 1 1 A 104 104 LYS H H 110 7.854 8.655 -0.801 1
1 396 . 1 1 1 A 104 104 LYS CA C 110 54.266 54.505 -0.239 1
1 397 . 1 1 1 A 104 104 LYS CB C 110 35.510 34.508 1.002 1
1 398 . 1 1 1 A 104 104 LYS N N 110 118.028 119.016 -0.988 1
1 399 . 1 1 1 A 105 105 VAL H H 111 8.921 8.677 0.244 1
1 400 . 1 1 1 A 105 105 VAL CA C 111 63.138 63.228 -0.090 1
1 401 . 1 1 1 A 105 105 VAL CB C 111 31.422 32.056 -0.634 1
1 402 . 1 1 1 A 105 105 VAL N N 111 122.387 122.635 -0.248 1
1 403 . 1 1 1 A 106 106 ALA H H 112 7.814 8.906 -1.092 1
1 404 . 1 1 1 A 106 106 ALA CA C 112 51.263 51.196 0.067 1
1 405 . 1 1 1 A 106 106 ALA CB C 112 21.729 22.509 -0.780 1
1 406 . 1 1 1 A 106 106 ALA N N 112 132.037 128.901 3.136 1
1 407 . 1 1 1 A 107 107 TYR H H 113 8.529 8.757 -0.228 1
1 408 . 1 1 1 A 107 107 TYR CA C 113 56.633 58.249 -1.616 1
1 409 . 1 1 1 A 107 107 TYR CB C 113 37.562 35.411 2.151 1
1 410 . 1 1 1 A 107 107 TYR N N 113 122.317 113.280 9.037 1
1 411 . 1 1 1 A 108 108 VAL H H 114 7.829 8.296 -0.467 1
1 412 . 1 1 1 A 108 108 VAL CA C 114 62.833 62.695 0.138 1
1 413 . 1 1 1 A 108 108 VAL CB C 114 33.650 30.601 3.049 1
1 414 . 1 1 1 A 108 108 VAL N N 114 124.127 120.106 4.021 1
1 415 . 1 1 1 A 109 109 TYR H H 115 8.382 8.981 -0.599 1
1 416 . 1 1 1 A 109 109 TYR CA C 115 57.150 57.438 -0.288 1
1 417 . 1 1 1 A 109 109 TYR CB C 115 39.395 40.676 -1.281 1
1 418 . 1 1 1 A 109 109 TYR N N 115 123.189 127.319 -4.130 1
1 419 . 1 1 1 A 110 110 LYS H H 116 8.613 9.002 -0.389 1
1 420 . 1 1 1 A 110 110 LYS CA C 116 57.847 58.790 -0.943 1
1 421 . 1 1 1 A 110 110 LYS CB C 116 32.085 31.933 0.152 1
1 422 . 1 1 1 A 110 110 LYS N N 116 124.341 123.479 0.862 1
1 423 . 1 1 1 A 111 111 GLY H H 117 8.639 8.673 -0.034 1
1 424 . 1 1 1 A 111 111 GLY CA C 117 45.419 45.829 -0.410 1
1 425 . 1 1 1 A 111 111 GLY N N 117 110.823 107.739 3.084 1
1 426 . 1 1 1 A 112 112 ASN H H 118 7.986 8.345 -0.359 1
1 427 . 1 1 1 A 112 112 ASN CA C 118 51.290 52.164 -0.874 1
1 428 . 1 1 1 A 112 112 ASN CB C 118 38.241 39.119 -0.878 1
1 429 . 1 1 1 A 112 112 ASN N N 118 120.990 116.833 4.157 1
1 430 . 1 1 1 A 113 113 ASN H H 119 7.740 8.693 -0.953 1
1 431 . 1 1 1 A 113 113 ASN CA C 119 51.900 52.103 -0.203 1
1 432 . 1 1 1 A 113 113 ASN CB C 119 39.244 38.730 0.514 1
1 433 . 1 1 1 A 113 113 ASN N N 119 116.365 118.319 -1.954 1
1 434 . 1 1 1 A 114 114 THR H H 120 10.445 7.942 2.503 1
1 435 . 1 1 1 A 114 114 THR CA C 120 68.977 67.524 1.453 1
1 436 . 1 1 1 A 114 114 THR CB C 120 66.624 67.874 -1.250 1
1 437 . 1 1 1 A 114 114 THR N N 120 123.509 118.413 5.096 1
1 438 . 1 1 1 A 115 115 HIS H H 121 7.004 8.162 -1.158 1
1 439 . 1 1 1 A 115 115 HIS CA C 121 52.720 54.800 -2.080 1
1 440 . 1 1 1 A 115 115 HIS CB C 121 28.028 29.448 -1.420 1
1 441 . 1 1 1 A 115 115 HIS N N 121 111.231 114.481 -3.250 1
1 442 . 1 1 1 A 116 116 GLU H H 122 7.502 8.403 -0.901 1
1 443 . 1 1 1 A 116 116 GLU CA C 122 61.402 60.046 1.356 1
1 444 . 1 1 1 A 116 116 GLU CB C 122 29.888 29.216 0.672 1
1 445 . 1 1 1 A 116 116 GLU N N 122 120.368 121.063 -0.695 1
1 446 . 1 1 1 A 117 117 GLN H H 123 8.932 8.166 0.766 1
1 447 . 1 1 1 A 117 117 GLN CA C 123 59.702 58.679 1.023 1
1 448 . 1 1 1 A 117 117 GLN CB C 123 27.442 28.395 -0.953 1
1 449 . 1 1 1 A 117 117 GLN N N 123 118.181 119.281 -1.100 1
1 450 . 1 1 1 A 118 118 LEU H H 124 7.895 8.187 -0.292 1
1 451 . 1 1 1 A 118 118 LEU CA C 124 58.222 58.335 -0.113 1
1 452 . 1 1 1 A 118 118 LEU CB C 124 42.380 41.583 0.797 1
1 453 . 1 1 1 A 118 118 LEU N N 124 121.547 122.235 -0.688 1
1 454 . 1 1 1 A 119 119 LEU H H 125 7.767 8.591 -0.824 1
1 455 . 1 1 1 A 119 119 LEU CA C 125 58.367 57.955 0.412 1
1 456 . 1 1 1 A 119 119 LEU CB C 125 41.044 41.219 -0.175 1
1 457 . 1 1 1 A 119 119 LEU N N 125 120.358 118.398 1.960 1
1 458 . 1 1 1 A 120 120 ARG H H 126 8.954 8.525 0.429 1
1 459 . 1 1 1 A 120 120 ARG CA C 126 60.089 59.591 0.498 1
1 460 . 1 1 1 A 120 120 ARG CB C 126 29.102 29.706 -0.604 1
1 461 . 1 1 1 A 120 120 ARG N N 126 119.963 119.013 0.950 1
1 462 . 1 1 1 A 121 121 LYS H H 127 8.206 8.254 -0.048 1
1 463 . 1 1 1 A 121 121 LYS CA C 127 59.708 59.060 0.648 1
1 464 . 1 1 1 A 121 121 LYS CB C 127 32.112 32.249 -0.137 1
1 465 . 1 1 1 A 121 121 LYS N N 127 122.197 119.844 2.353 1
1 466 . 1 1 1 A 122 122 ALA H H 128 7.405 8.513 -1.108 1
1 467 . 1 1 1 A 122 122 ALA CA C 128 55.071 54.981 0.090 1
1 468 . 1 1 1 A 122 122 ALA CB C 128 17.827 18.609 -0.782 1
1 469 . 1 1 1 A 122 122 ALA N N 128 122.913 120.545 2.368 1
1 470 . 1 1 1 A 123 123 GLU H H 129 8.355 8.507 -0.152 1
1 471 . 1 1 1 A 123 123 GLU CA C 129 59.112 59.245 -0.133 1
1 472 . 1 1 1 A 123 123 GLU CB C 129 30.983 29.346 1.637 1
1 473 . 1 1 1 A 123 123 GLU N N 129 120.946 118.132 2.814 1
1 474 . 1 1 1 A 124 124 ALA H H 130 8.017 8.624 -0.607 1
1 475 . 1 1 1 A 124 124 ALA CA C 130 54.884 54.689 0.195 1
1 476 . 1 1 1 A 124 124 ALA CB C 130 17.763 18.474 -0.711 1
1 477 . 1 1 1 A 124 124 ALA N N 130 119.733 121.609 -1.876 1
1 478 . 1 1 1 A 125 125 GLN H H 131 7.534 8.243 -0.709 1
1 479 . 1 1 1 A 125 125 GLN CA C 131 58.688 58.380 0.308 1
1 480 . 1 1 1 A 125 125 GLN CB C 131 28.179 28.296 -0.117 1
1 481 . 1 1 1 A 125 125 GLN N N 131 118.466 118.047 0.419 1
1 482 . 1 1 1 A 126 126 ALA H H 132 7.996 8.551 -0.555 1
1 483 . 1 1 1 A 126 126 ALA CA C 132 55.759 54.931 0.828 1
1 484 . 1 1 1 A 126 126 ALA CB C 132 18.674 18.482 0.192 1
1 485 . 1 1 1 A 126 126 ALA N N 132 123.161 122.288 0.873 1
1 486 . 1 1 1 A 127 127 LYS H H 133 8.228 8.106 0.122 1
1 487 . 1 1 1 A 127 127 LYS CA C 133 59.596 59.137 0.459 1
1 488 . 1 1 1 A 127 127 LYS CB C 133 32.511 31.696 0.815 1
1 489 . 1 1 1 A 127 127 LYS N N 133 117.249 117.994 -0.745 1
1 490 . 1 1 1 A 128 128 LYS H H 134 7.790 8.348 -0.558 1
1 491 . 1 1 1 A 128 128 LYS CA C 134 59.320 59.734 -0.414 1
1 492 . 1 1 1 A 128 128 LYS CB C 134 32.282 32.044 0.238 1
1 493 . 1 1 1 A 128 128 LYS N N 134 122.406 119.355 3.051 1
1 494 . 1 1 1 A 129 129 GLU H H 135 7.621 8.143 -0.522 1
1 495 . 1 1 1 A 129 129 GLU CA C 135 56.451 56.378 0.073 1
1 496 . 1 1 1 A 129 129 GLU CB C 135 29.904 29.633 0.271 1
1 497 . 1 1 1 A 129 129 GLU N N 135 116.201 116.363 -0.162 1
1 498 . 1 1 1 A 130 130 LYS H H 136 7.845 8.160 -0.315 1
1 499 . 1 1 1 A 130 130 LYS CA C 136 56.775 56.798 -0.023 1
1 500 . 1 1 1 A 130 130 LYS CB C 136 29.299 29.675 -0.376 1
1 501 . 1 1 1 A 130 130 LYS N N 136 116.977 116.567 0.410 1
1 502 . 1 1 1 A 131 131 LEU H H 137 7.648 8.071 -0.423 1
1 503 . 1 1 1 A 131 131 LEU CA C 137 54.991 54.793 0.198 1
1 504 . 1 1 1 A 131 131 LEU CB C 137 44.178 43.026 1.152 1
1 505 . 1 1 1 A 131 131 LEU N N 137 117.224 117.529 -0.305 1
1 506 . 1 1 1 A 132 132 ASN H H 138 9.090 9.351 -0.261 1
1 507 . 1 1 1 A 132 132 ASN CA C 138 56.252 55.329 0.923 1
1 508 . 1 1 1 A 132 132 ASN CB C 138 38.637 37.342 1.295 1
1 509 . 1 1 1 A 132 132 ASN N N 138 119.021 117.382 1.639 1
1 510 . 1 1 1 A 133 133 ILE H H 139 8.356 8.779 -0.423 1
1 511 . 1 1 1 A 133 133 ILE CA C 139 65.647 64.593 1.054 1
1 512 . 1 1 1 A 133 133 ILE CB C 139 37.428 37.047 0.381 1
1 513 . 1 1 1 A 133 133 ILE N N 139 124.645 121.991 2.654 1
1 514 . 1 1 1 A 134 134 TRP H H 140 7.785 7.828 -0.043 1
1 516 . 1 1 1 A 134 134 TRP CA C 140 55.046 57.028 -1.982 1
1 517 . 1 1 1 A 134 134 TRP CB C 140 29.962 29.005 0.957 1
1 518 . 1 1 1 A 134 134 TRP N N 140 119.570 119.708 -0.138 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 125 0.891 1
3 1 1 1 "RMS(OBS, PRED)" CB 116 1.128 1
4 1 1 1 "RMS(OBS, PRED)" H 121 0.712 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 121 3.055 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 27 . 1 1 A 8 8 HIS H H 8 8.914 9.148 -0.234 2
1 28 . 1 1 A 8 8 HIS CA C 8 54.729 53.323 1.406 2
1 29 . 1 1 A 8 8 HIS CB C 8 30.891 33.521 -2.630 2
1 30 . 1 1 A 8 8 HIS N N 8 117.630 117.463 0.167 2
1 31 . 1 1 A 9 9 LYS H H 9 8.627 8.861 -0.234 2
1 32 . 1 1 A 9 9 LYS CA C 9 56.134 55.477 0.657 2
1 33 . 1 1 A 9 9 LYS CB C 9 34.632 33.303 1.329 2
1 34 . 1 1 A 9 9 LYS N N 9 124.016 120.611 3.405 2
1 35 . 1 1 A 10 10 GLU H H 10 9.439 9.200 0.239 2
1 36 . 1 1 A 10 10 GLU CA C 10 53.424 53.173 0.251 2
1 37 . 1 1 A 10 10 GLU CB C 10 33.105 31.552 1.553 2
1 38 . 1 1 A 10 10 GLU N N 10 123.050 123.290 -0.240 2
1 39 . 1 1 A 11 11 PRO CA C 11 63.252 62.860 0.392 2
1 40 . 1 1 A 11 11 PRO CB C 11 33.215 33.083 0.132 2
1 41 . 1 1 A 12 12 ALA H H 12 8.063 8.477 -0.414 2
1 42 . 1 1 A 12 12 ALA CA C 12 51.668 51.166 0.502 2
1 43 . 1 1 A 12 12 ALA CB C 12 24.765 24.065 0.700 2
1 44 . 1 1 A 12 12 ALA N N 12 119.762 117.702 2.060 2
1 45 . 1 1 A 13 13 THR H H 13 8.109 8.918 -0.809 2
1 46 . 1 1 A 13 13 THR CA C 13 60.503 59.766 0.737 2
1 47 . 1 1 A 13 13 THR CB C 13 71.561 72.040 -0.479 2
1 48 . 1 1 A 13 13 THR N N 13 108.771 109.477 -0.706 2
1 49 . 1 1 A 14 14 LEU H H 14 9.194 8.972 0.222 2
1 50 . 1 1 A 14 14 LEU CA C 14 56.782 56.343 0.439 2
1 51 . 1 1 A 14 14 LEU CB C 14 42.956 42.395 0.561 2
1 52 . 1 1 A 14 14 LEU N N 14 125.081 125.216 -0.135 2
1 53 . 1 1 A 15 15 ILE H H 15 8.439 9.341 -0.902 2
1 54 . 1 1 A 15 15 ILE CA C 15 64.172 63.080 1.092 2
1 55 . 1 1 A 15 15 ILE CB C 15 38.946 38.445 0.501 2
1 56 . 1 1 A 15 15 ILE N N 15 125.130 126.870 -1.740 2
1 57 . 1 1 A 16 16 LYS H H 16 8.099 7.911 0.188 2
1 58 . 1 1 A 16 16 LYS CA C 16 56.486 55.901 0.585 2
1 59 . 1 1 A 16 16 LYS CB C 16 35.716 35.735 -0.019 2
1 60 . 1 1 A 16 16 LYS N N 16 114.577 117.094 -2.517 2
1 61 . 1 1 A 17 17 ALA H H 17 9.489 9.138 0.351 2
1 62 . 1 1 A 17 17 ALA CA C 17 52.396 52.793 -0.397 2
1 63 . 1 1 A 17 17 ALA CB C 17 18.421 19.212 -0.791 2
1 64 . 1 1 A 17 17 ALA N N 17 129.699 127.643 2.056 2
1 65 . 1 1 A 18 18 ILE H H 18 8.067 9.312 -1.245 2
1 66 . 1 1 A 18 18 ILE CA C 18 63.331 62.703 0.628 2
1 67 . 1 1 A 18 18 ILE CB C 18 38.316 38.692 -0.376 2
1 68 . 1 1 A 18 18 ILE N N 18 123.578 123.371 0.207 2
1 69 . 1 1 A 19 19 ASP H H 19 8.250 8.467 -0.217 2
1 70 . 1 1 A 19 19 ASP CA C 19 53.893 53.126 0.767 2
1 71 . 1 1 A 19 19 ASP CB C 19 39.546 41.574 -2.028 2
1 72 . 1 1 A 19 19 ASP N N 19 119.309 117.843 1.466 2
1 73 . 1 1 A 20 20 GLY H H 20 8.426 9.289 -0.863 2
1 74 . 1 1 A 20 20 GLY CA C 20 47.781 47.628 0.153 2
1 75 . 1 1 A 20 20 GLY N N 20 103.205 104.951 -1.746 2
1 76 . 1 1 A 21 21 ASP H H 21 7.718 8.228 -0.510 2
1 77 . 1 1 A 21 21 ASP CA C 21 51.144 52.807 -1.663 2
1 78 . 1 1 A 21 21 ASP CB C 21 38.526 41.771 -3.245 2
1 79 . 1 1 A 21 21 ASP N N 21 110.574 113.001 -2.427 2
1 80 . 1 1 A 22 22 THR H H 22 7.594 7.973 -0.379 2
1 81 . 1 1 A 22 22 THR CA C 22 61.633 60.599 1.034 2
1 82 . 1 1 A 22 22 THR CB C 22 70.291 71.319 -1.028 2
1 83 . 1 1 A 22 22 THR N N 22 115.289 110.340 4.949 2
1 84 . 1 1 A 23 23 VAL H H 23 9.029 9.031 -0.002 2
1 85 . 1 1 A 23 23 VAL CA C 23 60.084 59.965 0.119 2
1 86 . 1 1 A 23 23 VAL CB C 23 36.379 35.657 0.722 2
1 87 . 1 1 A 23 23 VAL N N 23 119.319 121.369 -2.050 2
1 88 . 1 1 A 24 24 LYS H H 24 9.496 9.124 0.372 2
1 89 . 1 1 A 24 24 LYS CA C 24 55.949 55.034 0.915 2
1 90 . 1 1 A 24 24 LYS CB C 24 34.662 34.389 0.273 2
1 91 . 1 1 A 24 24 LYS N N 24 127.279 127.555 -0.276 2
1 92 . 1 1 A 25 25 LEU H H 25 9.422 9.193 0.229 2
1 93 . 1 1 A 25 25 LEU CA C 25 53.113 53.371 -0.258 2
1 94 . 1 1 A 25 25 LEU CB C 25 45.528 45.483 0.045 2
1 95 . 1 1 A 25 25 LEU N N 25 127.235 128.514 -1.279 2
1 96 . 1 1 A 26 26 MET H H 26 9.572 9.201 0.371 2
1 97 . 1 1 A 26 26 MET CA C 26 54.652 54.314 0.338 2
1 98 . 1 1 A 26 26 MET CB C 26 31.449 33.854 -2.405 2
1 99 . 1 1 A 26 26 MET N N 26 122.180 122.722 -0.542 2
1 100 . 1 1 A 27 27 TYR H H 27 9.085 9.254 -0.169 2
1 101 . 1 1 A 27 27 TYR CA C 27 56.830 57.432 -0.602 2
1 102 . 1 1 A 27 27 TYR CB C 27 41.973 41.827 0.146 2
1 103 . 1 1 A 27 27 TYR N N 27 129.755 128.927 0.828 2
1 104 . 1 1 A 28 28 LYS H H 28 9.337 10.564 -1.227 2
1 105 . 1 1 A 28 28 LYS CA C 28 57.461 57.015 0.446 2
1 106 . 1 1 A 28 28 LYS CB C 28 29.772 29.871 -0.099 2
1 107 . 1 1 A 28 28 LYS N N 28 127.514 130.005 -2.491 2
1 108 . 1 1 A 29 29 GLY H H 29 8.479 8.886 -0.407 2
1 109 . 1 1 A 29 29 GLY CA C 29 45.590 45.344 0.246 2
1 110 . 1 1 A 29 29 GLY N N 29 102.430 104.493 -2.063 2
1 111 . 1 1 A 30 30 GLN H H 30 7.802 8.289 -0.487 2
1 112 . 1 1 A 30 30 GLN CA C 30 52.490 52.542 -0.052 2
1 113 . 1 1 A 30 30 GLN CB C 30 31.603 30.010 1.593 2
1 114 . 1 1 A 30 30 GLN N N 30 119.107 121.581 -2.474 2
1 115 . 1 1 A 31 31 PRO CA C 31 62.727 63.101 -0.374 2
1 116 . 1 1 A 31 31 PRO CB C 31 32.155 32.287 -0.132 2
1 117 . 1 1 A 32 32 MET H H 32 9.623 9.095 0.528 2
1 118 . 1 1 A 32 32 MET CA C 32 56.023 54.345 1.678 2
1 119 . 1 1 A 32 32 MET CB C 32 37.035 36.281 0.754 2
1 120 . 1 1 A 32 32 MET N N 32 126.093 121.964 4.129 2
1 121 . 1 1 A 33 33 THR H H 33 8.989 9.031 -0.042 2
1 122 . 1 1 A 33 33 THR CA C 33 63.884 62.771 1.113 2
1 123 . 1 1 A 33 33 THR CB C 33 68.488 69.567 -1.079 2
1 124 . 1 1 A 33 33 THR N N 33 124.142 121.455 2.687 2
1 125 . 1 1 A 34 34 PHE H H 34 9.593 9.420 0.173 2
1 126 . 1 1 A 34 34 PHE CA C 34 57.314 56.472 0.842 2
1 127 . 1 1 A 34 34 PHE CB C 34 42.396 41.479 0.917 2
1 128 . 1 1 A 34 34 PHE N N 34 125.544 126.240 -0.696 2
1 129 . 1 1 A 35 35 ARG H H 35 9.537 9.264 0.273 2
1 130 . 1 1 A 35 35 ARG CA C 35 52.311 54.624 -2.313 2
1 131 . 1 1 A 35 35 ARG CB C 35 32.822 32.948 -0.126 2
1 132 . 1 1 A 35 35 ARG N N 35 123.229 124.335 -1.106 2
1 133 . 1 1 A 36 36 LEU H H 36 8.368 9.035 -0.667 2
1 134 . 1 1 A 36 36 LEU CA C 36 55.684 54.800 0.884 2
1 135 . 1 1 A 36 36 LEU CB C 36 41.915 42.110 -0.195 2
1 136 . 1 1 A 36 36 LEU N N 36 123.061 126.923 -3.862 2
1 137 . 1 1 A 37 37 LEU H H 37 7.751 8.973 -1.222 2
1 138 . 1 1 A 37 37 LEU CA C 37 55.753 55.779 -0.026 2
1 139 . 1 1 A 37 37 LEU CB C 37 44.474 42.433 2.041 2
1 140 . 1 1 A 37 37 LEU N N 37 124.713 123.555 1.158 2
1 141 . 1 1 A 38 38 LEU H H 38 8.489 9.146 -0.657 2
1 142 . 1 1 A 38 38 LEU CA C 38 57.037 56.737 0.300 2
1 143 . 1 1 A 38 38 LEU CB C 38 41.087 40.769 0.318 2
1 144 . 1 1 A 38 38 LEU N N 38 113.095 117.790 -4.695 2
1 145 . 1 1 A 39 39 VAL H H 39 7.026 7.750 -0.724 2
1 146 . 1 1 A 39 39 VAL CA C 39 58.570 58.176 0.394 2
1 147 . 1 1 A 39 39 VAL CB C 39 35.537 36.355 -0.818 2
1 148 . 1 1 A 39 39 VAL N N 39 108.763 114.700 -5.937 2
1 149 . 1 1 A 40 40 ASP H H 40 8.869 8.844 0.025 2
1 150 . 1 1 A 40 40 ASP CA C 40 53.064 53.921 -0.857 2
1 151 . 1 1 A 40 40 ASP CB C 40 42.379 44.201 -1.822 2
1 152 . 1 1 A 40 40 ASP N N 40 121.996 120.864 1.132 2
1 153 . 1 1 A 41 41 THR H H 41 7.736 8.861 -1.125 2
1 154 . 1 1 A 41 41 THR CA C 41 58.351 59.020 -0.669 2
1 155 . 1 1 A 41 41 THR CB C 41 67.799 69.004 -1.205 2
1 156 . 1 1 A 41 41 THR N N 41 116.052 119.167 -3.115 2
1 157 . 1 1 A 42 42 PRO CA C 42 62.152 62.884 -0.732 2
1 158 . 1 1 A 42 42 PRO CB C 42 31.815 32.365 -0.550 2
1 167 . 1 1 A 45 45 ASN H H 51 7.857 8.575 -0.718 2
1 168 . 1 1 A 45 45 ASN CA C 51 52.793 54.018 -1.225 2
1 169 . 1 1 A 45 45 ASN CB C 51 37.474 37.801 -0.327 2
1 170 . 1 1 A 45 45 ASN N N 51 110.687 113.776 -3.089 2
1 171 . 1 1 A 46 46 GLU H H 52 7.980 8.131 -0.151 2
1 172 . 1 1 A 46 46 GLU CA C 52 54.389 54.462 -0.073 2
1 173 . 1 1 A 46 46 GLU CB C 52 32.162 30.973 1.189 2
1 174 . 1 1 A 46 46 GLU N N 52 120.460 119.937 0.523 2
1 175 . 1 1 A 47 47 LYS H H 53 8.552 8.865 -0.313 2
1 176 . 1 1 A 47 47 LYS CA C 53 59.093 57.679 1.414 2
1 177 . 1 1 A 47 47 LYS CB C 53 31.721 32.353 -0.632 2
1 178 . 1 1 A 47 47 LYS N N 53 124.818 122.878 1.940 2
1 179 . 1 1 A 48 48 TYR H H 54 8.658 8.959 -0.301 2
1 180 . 1 1 A 48 48 TYR CA C 54 62.353 59.767 2.586 2
1 181 . 1 1 A 48 48 TYR CB C 54 35.220 36.003 -0.783 2
1 182 . 1 1 A 48 48 TYR N N 54 116.090 121.579 -5.489 2
1 183 . 1 1 A 49 49 GLY H H 55 8.725 8.399 0.326 2
1 184 . 1 1 A 49 49 GLY CA C 55 48.929 47.890 1.039 2
1 185 . 1 1 A 49 49 GLY N N 55 109.636 108.161 1.475 2
1 186 . 1 1 A 50 50 PRO CA C 56 65.153 65.467 -0.314 2
1 187 . 1 1 A 50 50 PRO CB C 56 31.437 30.769 0.668 2
1 188 . 1 1 A 51 51 GLU H H 57 9.008 8.635 0.373 2
1 189 . 1 1 A 51 51 GLU CA C 57 61.576 60.461 1.115 2
1 190 . 1 1 A 51 51 GLU CB C 57 28.387 29.260 -0.873 2
1 191 . 1 1 A 51 51 GLU N N 57 120.649 117.452 3.197 2
1 192 . 1 1 A 52 52 ALA H H 58 8.991 8.471 0.520 2
1 193 . 1 1 A 52 52 ALA CA C 58 55.951 55.283 0.668 2
1 194 . 1 1 A 52 52 ALA CB C 58 18.251 18.131 0.120 2
1 195 . 1 1 A 52 52 ALA N N 58 124.842 123.351 1.491 2
1 196 . 1 1 A 53 53 SER H H 59 8.209 8.384 -0.175 2
1 197 . 1 1 A 53 53 SER CA C 59 63.021 62.041 0.980 2
1 198 . 1 1 A 53 53 SER CB C 59 62.319 63.056 -0.737 2
1 199 . 1 1 A 53 53 SER N N 59 111.747 113.677 -1.930 2
1 200 . 1 1 A 54 54 ALA H H 60 8.490 8.094 0.396 2
1 201 . 1 1 A 54 54 ALA CA C 60 54.988 55.085 -0.097 2
1 202 . 1 1 A 54 54 ALA CB C 60 18.408 18.552 -0.144 2
1 203 . 1 1 A 54 54 ALA N N 60 122.700 123.542 -0.842 2
1 204 . 1 1 A 55 55 PHE H H 61 8.245 8.279 -0.034 2
1 205 . 1 1 A 55 55 PHE CA C 61 61.743 61.672 0.071 2
1 206 . 1 1 A 55 55 PHE CB C 61 39.928 39.143 0.785 2
1 207 . 1 1 A 55 55 PHE N N 61 121.613 119.580 2.033 2
1 208 . 1 1 A 56 56 THR H H 62 8.537 8.571 -0.034 2
1 209 . 1 1 A 56 56 THR CA C 62 67.514 67.588 -0.074 2
1 210 . 1 1 A 56 56 THR CB C 62 68.356 68.411 -0.055 2
1 211 . 1 1 A 56 56 THR N N 62 120.317 116.751 3.566 2
1 212 . 1 1 A 57 57 LYS H H 63 7.876 8.555 -0.679 2
1 213 . 1 1 A 57 57 LYS CA C 63 60.199 59.798 0.401 2
1 214 . 1 1 A 57 57 LYS CB C 63 33.249 32.737 0.512 2
1 215 . 1 1 A 57 57 LYS N N 63 119.915 121.258 -1.343 2
1 216 . 1 1 A 58 58 LYS H H 64 8.009 8.151 -0.142 2
1 217 . 1 1 A 58 58 LYS CA C 64 59.305 59.283 0.022 2
1 218 . 1 1 A 58 58 LYS CB C 64 32.071 32.123 -0.052 2
1 219 . 1 1 A 58 58 LYS N N 64 117.326 118.786 -1.460 2
1 220 . 1 1 A 59 59 MET H H 65 7.680 8.430 -0.750 2
1 221 . 1 1 A 59 59 MET CA C 65 59.791 59.140 0.651 2
1 222 . 1 1 A 59 59 MET CB C 65 32.340 32.374 -0.034 2
1 223 . 1 1 A 59 59 MET N N 65 116.012 117.134 -1.122 2
1 224 . 1 1 A 60 60 VAL H H 66 8.173 8.218 -0.045 2
1 225 . 1 1 A 60 60 VAL CA C 66 64.304 65.443 -1.139 2
1 226 . 1 1 A 60 60 VAL CB C 66 31.423 31.450 -0.027 2
1 227 . 1 1 A 60 60 VAL N N 66 107.639 111.788 -4.149 2
1 228 . 1 1 A 61 61 GLU H H 67 8.737 8.475 0.262 2
1 229 . 1 1 A 61 61 GLU CA C 67 59.229 59.365 -0.136 2
1 230 . 1 1 A 61 61 GLU CB C 67 29.094 29.523 -0.429 2
1 231 . 1 1 A 61 61 GLU N N 67 121.151 121.522 -0.371 2
1 232 . 1 1 A 62 62 ASN H H 68 7.431 8.150 -0.719 2
1 233 . 1 1 A 62 62 ASN CA C 68 53.361 54.573 -1.212 2
1 234 . 1 1 A 62 62 ASN CB C 68 38.966 38.767 0.199 2
1 235 . 1 1 A 62 62 ASN N N 68 113.516 116.143 -2.627 2
1 236 . 1 1 A 63 63 ALA H H 69 6.685 7.713 -1.028 2
1 237 . 1 1 A 63 63 ALA CA C 69 51.391 52.538 -1.147 2
1 238 . 1 1 A 63 63 ALA CB C 69 19.405 19.332 0.073 2
1 239 . 1 1 A 63 63 ALA N N 69 121.128 121.776 -0.648 2
1 240 . 1 1 A 64 64 LYS H H 70 10.131 9.008 1.123 2
1 241 . 1 1 A 64 64 LYS CA C 70 57.860 57.809 0.051 2
1 242 . 1 1 A 64 64 LYS CB C 70 32.219 32.878 -0.659 2
1 243 . 1 1 A 64 64 LYS N N 70 125.835 119.807 6.028 2
1 244 . 1 1 A 65 65 LYS H H 71 8.955 7.954 1.001 2
1 245 . 1 1 A 65 65 LYS CA C 71 55.446 55.178 0.268 2
1 246 . 1 1 A 65 65 LYS CB C 71 35.451 35.361 0.090 2
1 247 . 1 1 A 65 65 LYS N N 71 121.391 119.641 1.750 2
1 248 . 1 1 A 66 66 ILE H H 72 9.005 9.326 -0.321 2
1 249 . 1 1 A 66 66 ILE CA C 72 58.556 59.767 -1.211 2
1 250 . 1 1 A 66 66 ILE CB C 72 38.247 40.037 -1.790 2
1 251 . 1 1 A 66 66 ILE N N 72 129.009 127.953 1.056 2
1 252 . 1 1 A 67 67 GLU H H 73 8.779 9.286 -0.507 2
1 253 . 1 1 A 67 67 GLU CA C 73 53.800 54.131 -0.331 2
1 254 . 1 1 A 67 67 GLU CB C 73 36.325 34.331 1.994 2
1 255 . 1 1 A 67 67 GLU N N 73 123.081 125.240 -2.159 2
1 256 . 1 1 A 68 68 VAL H H 74 9.590 9.048 0.542 2
1 257 . 1 1 A 68 68 VAL CA C 74 59.527 61.033 -1.506 2
1 258 . 1 1 A 68 68 VAL CB C 74 34.753 33.244 1.509 2
1 259 . 1 1 A 68 68 VAL N N 74 117.006 122.509 -5.503 2
1 260 . 1 1 A 69 69 GLU H H 75 8.842 9.277 -0.435 2
1 261 . 1 1 A 69 69 GLU CA C 75 54.484 54.667 -0.183 2
1 262 . 1 1 A 69 69 GLU CB C 75 35.784 33.328 2.456 2
1 263 . 1 1 A 69 69 GLU N N 75 126.257 128.052 -1.795 2
1 264 . 1 1 A 70 70 PHE H H 76 8.954 8.931 0.023 2
1 265 . 1 1 A 70 70 PHE CA C 76 59.632 58.904 0.728 2
1 266 . 1 1 A 70 70 PHE CB C 76 39.966 39.676 0.290 2
1 267 . 1 1 A 70 70 PHE N N 76 127.109 126.324 0.785 2
1 268 . 1 1 A 71 71 ASP H H 77 9.461 8.740 0.721 2
1 269 . 1 1 A 71 71 ASP CA C 77 51.634 52.631 -0.997 2
1 270 . 1 1 A 71 71 ASP CB C 77 43.589 44.754 -1.165 2
1 271 . 1 1 A 71 71 ASP N N 77 123.534 124.577 -1.043 2
1 272 . 1 1 A 72 72 LYS H H 78 10.584 8.856 1.728 2
1 273 . 1 1 A 72 72 LYS CA C 78 57.293 57.371 -0.078 2
1 274 . 1 1 A 72 72 LYS CB C 78 33.522 33.055 0.467 2
1 275 . 1 1 A 72 72 LYS N N 78 119.066 120.973 -1.907 2
1 276 . 1 1 A 73 73 GLY H H 79 8.216 8.001 0.215 2
1 277 . 1 1 A 73 73 GLY CA C 79 44.705 44.415 0.290 2
1 278 . 1 1 A 73 73 GLY N N 79 112.009 108.004 4.005 2
1 279 . 1 1 A 74 74 GLN H H 80 8.381 8.572 -0.191 2
1 280 . 1 1 A 74 74 GLN CA C 80 56.977 56.147 0.830 2
1 281 . 1 1 A 74 74 GLN CB C 80 29.805 29.193 0.612 2
1 282 . 1 1 A 74 74 GLN N N 80 123.414 118.027 5.387 2
1 283 . 1 1 A 75 75 ARG H H 81 8.711 9.091 -0.380 2
1 284 . 1 1 A 75 75 ARG CA C 81 58.411 57.066 1.345 2
1 285 . 1 1 A 75 75 ARG CB C 81 32.344 30.610 1.734 2
1 286 . 1 1 A 75 75 ARG N N 81 123.454 122.957 0.497 2
1 287 . 1 1 A 76 76 THR H H 82 7.296 8.052 -0.756 2
1 288 . 1 1 A 76 76 THR CA C 82 58.086 61.136 -3.050 2
1 289 . 1 1 A 76 76 THR CB C 82 72.553 71.868 0.685 2
1 290 . 1 1 A 76 76 THR N N 82 106.052 114.834 -8.782 2
1 291 . 1 1 A 77 77 ASP H H 83 8.638 8.761 -0.123 2
1 292 . 1 1 A 77 77 ASP CA C 83 51.957 52.124 -0.167 2
1 293 . 1 1 A 77 77 ASP CB C 83 41.885 41.331 0.554 2
1 294 . 1 1 A 77 77 ASP N N 83 120.889 124.159 -3.270 2
1 295 . 1 1 A 78 78 LYS H H 84 8.279 9.251 -0.972 2
1 296 . 1 1 A 78 78 LYS CA C 84 58.147 57.980 0.167 2
1 297 . 1 1 A 78 78 LYS CB C 84 31.602 31.594 0.008 2
1 298 . 1 1 A 78 78 LYS N N 84 116.803 116.953 -0.150 2
1 299 . 1 1 A 79 79 TYR H H 85 7.959 7.744 0.215 2
1 300 . 1 1 A 79 79 TYR CA C 85 57.028 57.807 -0.779 2
1 301 . 1 1 A 79 79 TYR CB C 85 38.112 38.965 -0.853 2
1 302 . 1 1 A 79 79 TYR N N 85 119.031 119.721 -0.690 2
1 303 . 1 1 A 80 80 GLY H H 86 8.132 8.305 -0.173 2
1 304 . 1 1 A 80 80 GLY CA C 86 45.471 45.572 -0.101 2
1 305 . 1 1 A 80 80 GLY N N 86 108.408 109.122 -0.714 2
1 306 . 1 1 A 81 81 ARG H H 87 8.539 7.915 0.624 2
1 307 . 1 1 A 81 81 ARG CA C 87 55.797 55.508 0.289 2
1 308 . 1 1 A 81 81 ARG CB C 87 29.954 31.254 -1.300 2
1 309 . 1 1 A 81 81 ARG N N 87 121.439 120.552 0.887 2
1 310 . 1 1 A 82 82 GLY H H 88 8.709 8.873 -0.164 2
1 311 . 1 1 A 82 82 GLY CA C 88 45.256 45.038 0.218 2
1 312 . 1 1 A 82 82 GLY N N 88 108.481 109.228 -0.747 2
1 313 . 1 1 A 83 83 LEU H H 89 8.376 8.805 -0.429 2
1 314 . 1 1 A 83 83 LEU CA C 89 52.800 53.307 -0.507 2
1 315 . 1 1 A 83 83 LEU CB C 89 42.236 42.817 -0.581 2
1 316 . 1 1 A 83 83 LEU N N 89 125.826 125.486 0.340 2
1 317 . 1 1 A 84 84 ALA H H 90 7.506 8.985 -1.479 2
1 318 . 1 1 A 84 84 ALA CA C 90 50.585 51.097 -0.512 2
1 319 . 1 1 A 84 84 ALA CB C 90 23.900 22.889 1.011 2
1 320 . 1 1 A 84 84 ALA N N 90 120.317 123.405 -3.088 2
1 321 . 1 1 A 85 85 TYR H H 91 9.030 8.946 0.084 2
1 322 . 1 1 A 85 85 TYR CA C 91 57.203 57.437 -0.234 2
1 323 . 1 1 A 85 85 TYR CB C 91 37.733 39.880 -2.147 2
1 324 . 1 1 A 85 85 TYR N N 91 122.639 118.869 3.770 2
1 325 . 1 1 A 86 86 ILE H H 92 7.952 9.243 -1.291 2
1 326 . 1 1 A 86 86 ILE CA C 92 58.682 59.136 -0.454 2
1 327 . 1 1 A 86 86 ILE CB C 92 39.000 39.292 -0.292 2
1 328 . 1 1 A 86 86 ILE N N 92 122.433 123.095 -0.662 2
1 329 . 1 1 A 87 87 TYR H H 93 9.555 9.353 0.202 2
1 330 . 1 1 A 87 87 TYR CA C 93 56.325 56.337 -0.012 2
1 331 . 1 1 A 87 87 TYR CB C 93 41.500 42.506 -1.006 2
1 332 . 1 1 A 87 87 TYR N N 93 126.293 126.361 -0.068 2
1 333 . 1 1 A 88 88 ALA H H 94 9.312 8.883 0.429 2
1 334 . 1 1 A 88 88 ALA CA C 94 49.800 50.417 -0.617 2
1 335 . 1 1 A 88 88 ALA CB C 94 21.071 21.004 0.067 2
1 336 . 1 1 A 88 88 ALA N N 94 125.675 125.078 0.597 2
1 337 . 1 1 A 89 89 ASP H H 95 9.726 9.730 -0.004 2
1 338 . 1 1 A 89 89 ASP CA C 95 56.440 55.802 0.638 2
1 339 . 1 1 A 89 89 ASP CB C 95 39.579 39.664 -0.085 2
1 340 . 1 1 A 89 89 ASP N N 95 127.563 126.432 1.131 2
1 341 . 1 1 A 90 90 GLY H H 96 9.346 8.716 0.630 2
1 342 . 1 1 A 90 90 GLY CA C 96 45.352 45.381 -0.029 2
1 343 . 1 1 A 90 90 GLY N N 96 103.075 103.600 -0.525 2
1 344 . 1 1 A 91 91 LYS H H 97 7.867 8.052 -0.185 2
1 345 . 1 1 A 91 91 LYS CA C 97 54.328 55.250 -0.922 2
1 346 . 1 1 A 91 91 LYS CB C 97 33.144 33.368 -0.224 2
1 347 . 1 1 A 91 91 LYS N N 97 121.422 120.512 0.910 2
1 348 . 1 1 A 92 92 MET H H 98 9.391 9.107 0.284 2
1 349 . 1 1 A 92 92 MET CA C 98 56.108 55.633 0.475 2
1 350 . 1 1 A 92 92 MET CB C 98 34.376 32.942 1.434 2
1 351 . 1 1 A 92 92 MET N N 98 126.826 124.287 2.539 2
1 352 . 1 1 A 93 93 VAL H H 99 10.114 8.841 1.273 2
1 353 . 1 1 A 93 93 VAL CA C 99 65.768 66.037 -0.269 2
1 354 . 1 1 A 93 93 VAL CB C 99 32.546 32.044 0.502 2
1 355 . 1 1 A 93 93 VAL N N 99 135.935 126.062 9.873 2
1 356 . 1 1 A 94 94 ASN H H 100 9.685 8.685 1.000 2
1 357 . 1 1 A 94 94 ASN CA C 100 56.946 56.690 0.256 2
1 358 . 1 1 A 94 94 ASN CB C 100 34.969 37.882 -2.913 2
1 359 . 1 1 A 94 94 ASN N N 100 108.380 118.271 -9.891 2
1 360 . 1 1 A 95 95 GLU H H 101 6.126 8.612 -2.486 2
1 361 . 1 1 A 95 95 GLU CA C 101 59.054 59.859 -0.805 2
1 362 . 1 1 A 95 95 GLU CB C 101 31.039 29.115 1.924 2
1 363 . 1 1 A 95 95 GLU N N 101 113.144 120.534 -7.390 2
1 364 . 1 1 A 96 96 ALA H H 102 7.864 8.312 -0.448 2
1 365 . 1 1 A 96 96 ALA CA C 102 55.356 55.463 -0.107 2
1 366 . 1 1 A 96 96 ALA CB C 102 18.291 18.191 0.100 2
1 367 . 1 1 A 96 96 ALA N N 102 122.608 122.635 -0.027 2
1 368 . 1 1 A 97 97 LEU H H 103 8.089 8.310 -0.221 2
1 369 . 1 1 A 97 97 LEU CA C 103 57.966 57.691 0.275 2
1 370 . 1 1 A 97 97 LEU CB C 103 45.357 42.766 2.591 2
1 371 . 1 1 A 97 97 LEU N N 103 116.409 117.990 -1.581 2
1 372 . 1 1 A 98 98 VAL H H 104 6.840 8.347 -1.507 2
1 373 . 1 1 A 98 98 VAL CA C 104 65.199 66.974 -1.775 2
1 374 . 1 1 A 98 98 VAL CB C 104 31.965 31.393 0.572 2
1 375 . 1 1 A 98 98 VAL N N 104 116.414 118.091 -1.677 2
1 376 . 1 1 A 99 99 ARG H H 105 9.104 8.391 0.713 2
1 377 . 1 1 A 99 99 ARG CA C 105 57.022 59.169 -2.147 2
1 378 . 1 1 A 99 99 ARG CB C 105 28.799 29.584 -0.785 2
1 379 . 1 1 A 99 99 ARG N N 105 122.604 120.458 2.146 2
1 380 . 1 1 A 100 100 GLN H H 106 7.192 8.107 -0.915 2
1 381 . 1 1 A 100 100 GLN CA C 106 53.826 55.255 -1.429 2
1 382 . 1 1 A 100 100 GLN CB C 106 28.468 28.904 -0.436 2
1 383 . 1 1 A 100 100 GLN N N 106 112.727 114.680 -1.953 2
1 384 . 1 1 A 101 101 GLY H H 107 8.090 8.335 -0.245 2
1 385 . 1 1 A 101 101 GLY CA C 107 46.545 46.602 -0.057 2
1 386 . 1 1 A 101 101 GLY N N 107 107.013 107.781 -0.768 2
1 387 . 1 1 A 102 102 LEU H H 108 7.739 8.352 -0.613 2
1 388 . 1 1 A 102 102 LEU CA C 108 53.209 54.425 -1.216 2
1 389 . 1 1 A 102 102 LEU CB C 108 43.431 42.731 0.700 2
1 390 . 1 1 A 102 102 LEU N N 108 114.958 116.664 -1.706 2
1 391 . 1 1 A 103 103 ALA H H 109 6.944 8.030 -1.086 2
1 392 . 1 1 A 103 103 ALA CA C 109 50.314 50.330 -0.016 2
1 393 . 1 1 A 103 103 ALA CB C 109 24.885 23.225 1.660 2
1 394 . 1 1 A 103 103 ALA N N 109 112.761 119.612 -6.851 2
1 395 . 1 1 A 104 104 LYS H H 110 7.854 8.655 -0.801 2
1 396 . 1 1 A 104 104 LYS CA C 110 54.266 54.505 -0.239 2
1 397 . 1 1 A 104 104 LYS CB C 110 35.510 34.508 1.002 2
1 398 . 1 1 A 104 104 LYS N N 110 118.028 119.016 -0.988 2
1 399 . 1 1 A 105 105 VAL H H 111 8.921 8.677 0.244 2
1 400 . 1 1 A 105 105 VAL CA C 111 63.138 63.228 -0.090 2
1 401 . 1 1 A 105 105 VAL CB C 111 31.422 32.056 -0.634 2
1 402 . 1 1 A 105 105 VAL N N 111 122.387 122.635 -0.248 2
1 403 . 1 1 A 106 106 ALA H H 112 7.814 8.906 -1.092 2
1 404 . 1 1 A 106 106 ALA CA C 112 51.263 51.196 0.067 2
1 405 . 1 1 A 106 106 ALA CB C 112 21.729 22.509 -0.780 2
1 406 . 1 1 A 106 106 ALA N N 112 132.037 128.901 3.136 2
1 407 . 1 1 A 107 107 TYR H H 113 8.529 8.757 -0.228 2
1 408 . 1 1 A 107 107 TYR CA C 113 56.633 58.249 -1.616 2
1 409 . 1 1 A 107 107 TYR CB C 113 37.562 35.411 2.151 2
1 410 . 1 1 A 107 107 TYR N N 113 122.317 113.280 9.037 2
1 411 . 1 1 A 108 108 VAL H H 114 7.829 8.296 -0.467 2
1 412 . 1 1 A 108 108 VAL CA C 114 62.833 62.695 0.138 2
1 413 . 1 1 A 108 108 VAL CB C 114 33.650 30.601 3.049 2
1 414 . 1 1 A 108 108 VAL N N 114 124.127 120.106 4.021 2
1 415 . 1 1 A 109 109 TYR H H 115 8.382 8.981 -0.599 2
1 416 . 1 1 A 109 109 TYR CA C 115 57.150 57.438 -0.288 2
1 417 . 1 1 A 109 109 TYR CB C 115 39.395 40.676 -1.281 2
1 418 . 1 1 A 109 109 TYR N N 115 123.189 127.319 -4.130 2
1 419 . 1 1 A 110 110 LYS H H 116 8.613 9.002 -0.389 2
1 420 . 1 1 A 110 110 LYS CA C 116 57.847 58.790 -0.943 2
1 421 . 1 1 A 110 110 LYS CB C 116 32.085 31.933 0.152 2
1 422 . 1 1 A 110 110 LYS N N 116 124.341 123.479 0.862 2
1 423 . 1 1 A 111 111 GLY H H 117 8.639 8.673 -0.034 2
1 424 . 1 1 A 111 111 GLY CA C 117 45.419 45.829 -0.410 2
1 425 . 1 1 A 111 111 GLY N N 117 110.823 107.739 3.084 2
1 426 . 1 1 A 112 112 ASN H H 118 7.986 8.345 -0.359 2
1 427 . 1 1 A 112 112 ASN CA C 118 51.290 52.164 -0.874 2
1 428 . 1 1 A 112 112 ASN CB C 118 38.241 39.119 -0.878 2
1 429 . 1 1 A 112 112 ASN N N 118 120.990 116.833 4.157 2
1 430 . 1 1 A 113 113 ASN H H 119 7.740 8.693 -0.953 2
1 431 . 1 1 A 113 113 ASN CA C 119 51.900 52.103 -0.203 2
1 432 . 1 1 A 113 113 ASN CB C 119 39.244 38.730 0.514 2
1 433 . 1 1 A 113 113 ASN N N 119 116.365 118.319 -1.954 2
1 434 . 1 1 A 114 114 THR H H 120 10.445 7.942 2.503 2
1 435 . 1 1 A 114 114 THR CA C 120 68.977 67.524 1.453 2
1 436 . 1 1 A 114 114 THR CB C 120 66.624 67.874 -1.250 2
1 437 . 1 1 A 114 114 THR N N 120 123.509 118.413 5.096 2
1 438 . 1 1 A 115 115 HIS H H 121 7.004 8.162 -1.158 2
1 439 . 1 1 A 115 115 HIS CA C 121 52.720 54.800 -2.080 2
1 440 . 1 1 A 115 115 HIS CB C 121 28.028 29.448 -1.420 2
1 441 . 1 1 A 115 115 HIS N N 121 111.231 114.481 -3.250 2
1 442 . 1 1 A 116 116 GLU H H 122 7.502 8.403 -0.901 2
1 443 . 1 1 A 116 116 GLU CA C 122 61.402 60.046 1.356 2
1 444 . 1 1 A 116 116 GLU CB C 122 29.888 29.216 0.672 2
1 445 . 1 1 A 116 116 GLU N N 122 120.368 121.063 -0.695 2
1 446 . 1 1 A 117 117 GLN H H 123 8.932 8.166 0.766 2
1 447 . 1 1 A 117 117 GLN CA C 123 59.702 58.679 1.023 2
1 448 . 1 1 A 117 117 GLN CB C 123 27.442 28.395 -0.953 2
1 449 . 1 1 A 117 117 GLN N N 123 118.181 119.281 -1.100 2
1 450 . 1 1 A 118 118 LEU H H 124 7.895 8.187 -0.292 2
1 451 . 1 1 A 118 118 LEU CA C 124 58.222 58.335 -0.113 2
1 452 . 1 1 A 118 118 LEU CB C 124 42.380 41.583 0.797 2
1 453 . 1 1 A 118 118 LEU N N 124 121.547 122.235 -0.688 2
1 454 . 1 1 A 119 119 LEU H H 125 7.767 8.591 -0.824 2
1 455 . 1 1 A 119 119 LEU CA C 125 58.367 57.955 0.412 2
1 456 . 1 1 A 119 119 LEU CB C 125 41.044 41.219 -0.175 2
1 457 . 1 1 A 119 119 LEU N N 125 120.358 118.398 1.960 2
1 458 . 1 1 A 120 120 ARG H H 126 8.954 8.525 0.429 2
1 459 . 1 1 A 120 120 ARG CA C 126 60.089 59.591 0.498 2
1 460 . 1 1 A 120 120 ARG CB C 126 29.102 29.706 -0.604 2
1 461 . 1 1 A 120 120 ARG N N 126 119.963 119.013 0.950 2
1 462 . 1 1 A 121 121 LYS H H 127 8.206 8.254 -0.048 2
1 463 . 1 1 A 121 121 LYS CA C 127 59.708 59.060 0.648 2
1 464 . 1 1 A 121 121 LYS CB C 127 32.112 32.249 -0.137 2
1 465 . 1 1 A 121 121 LYS N N 127 122.197 119.844 2.353 2
1 466 . 1 1 A 122 122 ALA H H 128 7.405 8.513 -1.108 2
1 467 . 1 1 A 122 122 ALA CA C 128 55.071 54.981 0.090 2
1 468 . 1 1 A 122 122 ALA CB C 128 17.827 18.609 -0.782 2
1 469 . 1 1 A 122 122 ALA N N 128 122.913 120.545 2.368 2
1 470 . 1 1 A 123 123 GLU H H 129 8.355 8.507 -0.152 2
1 471 . 1 1 A 123 123 GLU CA C 129 59.112 59.245 -0.133 2
1 472 . 1 1 A 123 123 GLU CB C 129 30.983 29.346 1.637 2
1 473 . 1 1 A 123 123 GLU N N 129 120.946 118.132 2.814 2
1 474 . 1 1 A 124 124 ALA H H 130 8.017 8.624 -0.607 2
1 475 . 1 1 A 124 124 ALA CA C 130 54.884 54.689 0.195 2
1 476 . 1 1 A 124 124 ALA CB C 130 17.763 18.474 -0.711 2
1 477 . 1 1 A 124 124 ALA N N 130 119.733 121.609 -1.876 2
1 478 . 1 1 A 125 125 GLN H H 131 7.534 8.243 -0.709 2
1 479 . 1 1 A 125 125 GLN CA C 131 58.688 58.380 0.308 2
1 480 . 1 1 A 125 125 GLN CB C 131 28.179 28.296 -0.117 2
1 481 . 1 1 A 125 125 GLN N N 131 118.466 118.047 0.419 2
1 482 . 1 1 A 126 126 ALA H H 132 7.996 8.551 -0.555 2
1 483 . 1 1 A 126 126 ALA CA C 132 55.759 54.931 0.828 2
1 484 . 1 1 A 126 126 ALA CB C 132 18.674 18.482 0.192 2
1 485 . 1 1 A 126 126 ALA N N 132 123.161 122.288 0.873 2
1 486 . 1 1 A 127 127 LYS H H 133 8.228 8.106 0.122 2
1 487 . 1 1 A 127 127 LYS CA C 133 59.596 59.137 0.459 2
1 488 . 1 1 A 127 127 LYS CB C 133 32.511 31.696 0.815 2
1 489 . 1 1 A 127 127 LYS N N 133 117.249 117.994 -0.745 2
1 490 . 1 1 A 128 128 LYS H H 134 7.790 8.348 -0.558 2
1 491 . 1 1 A 128 128 LYS CA C 134 59.320 59.734 -0.414 2
1 492 . 1 1 A 128 128 LYS CB C 134 32.282 32.044 0.238 2
1 493 . 1 1 A 128 128 LYS N N 134 122.406 119.355 3.051 2
1 494 . 1 1 A 129 129 GLU H H 135 7.621 8.143 -0.522 2
1 495 . 1 1 A 129 129 GLU CA C 135 56.451 56.378 0.073 2
1 496 . 1 1 A 129 129 GLU CB C 135 29.904 29.633 0.271 2
1 497 . 1 1 A 129 129 GLU N N 135 116.201 116.363 -0.162 2
1 498 . 1 1 A 130 130 LYS H H 136 7.845 8.160 -0.315 2
1 499 . 1 1 A 130 130 LYS CA C 136 56.775 56.798 -0.023 2
1 500 . 1 1 A 130 130 LYS CB C 136 29.299 29.675 -0.376 2
1 501 . 1 1 A 130 130 LYS N N 136 116.977 116.567 0.410 2
1 502 . 1 1 A 131 131 LEU H H 137 7.648 8.071 -0.423 2
1 503 . 1 1 A 131 131 LEU CA C 137 54.991 54.793 0.198 2
1 504 . 1 1 A 131 131 LEU CB C 137 44.178 43.026 1.152 2
1 505 . 1 1 A 131 131 LEU N N 137 117.224 117.529 -0.305 2
1 506 . 1 1 A 132 132 ASN H H 138 9.090 9.351 -0.261 2
1 507 . 1 1 A 132 132 ASN CA C 138 56.252 55.329 0.923 2
1 508 . 1 1 A 132 132 ASN CB C 138 38.637 37.342 1.295 2
1 509 . 1 1 A 132 132 ASN N N 138 119.021 117.382 1.639 2
1 510 . 1 1 A 133 133 ILE H H 139 8.356 8.779 -0.423 2
1 511 . 1 1 A 133 133 ILE CA C 139 65.647 64.593 1.054 2
1 512 . 1 1 A 133 133 ILE CB C 139 37.428 37.047 0.381 2
1 513 . 1 1 A 133 133 ILE N N 139 124.645 121.991 2.654 2
1 514 . 1 1 A 134 134 TRP H H 140 7.785 7.828 -0.043 2
1 516 . 1 1 A 134 134 TRP CA C 140 55.046 57.028 -1.982 2
1 517 . 1 1 A 134 134 TRP CB C 140 29.962 29.005 0.957 2
1 518 . 1 1 A 134 134 TRP N N 140 119.570 119.708 -0.138 2
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