data_6838_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 6838
_Entry.PDB_ID 1G68
_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 4 . 1 1 1 A 4 4 LYS H H 25 8.415 8.219 0.196 1
1 5 . 1 1 1 A 4 4 LYS C C 25 176.749 177.695 -0.946 1
1 6 . 1 1 1 A 4 4 LYS CA C 25 58.603 59.098 -0.495 1
1 7 . 1 1 1 A 4 4 LYS CB C 25 32.307 31.793 0.514 1
1 9 . 1 1 1 A 4 4 LYS N N 25 124.006 121.811 2.195 1
1 10 . 1 1 1 A 5 5 PHE H H 26 7.776 7.789 -0.013 1
1 11 . 1 1 1 A 5 5 PHE C C 26 175.354 175.776 -0.422 1
1 12 . 1 1 1 A 5 5 PHE CA C 26 58.666 57.334 1.332 1
1 13 . 1 1 1 A 5 5 PHE CB C 26 37.107 37.737 -0.630 1
1 14 . 1 1 1 A 5 5 PHE N N 26 115.584 116.632 -1.048 1
1 15 . 1 1 1 A 6 6 GLN H H 27 7.419 8.040 -0.621 1
1 16 . 1 1 1 A 6 6 GLN C C 27 177.743 178.437 -0.694 1
1 17 . 1 1 1 A 6 6 GLN CA C 27 59.860 58.788 1.072 1
1 18 . 1 1 1 A 6 6 GLN CB C 27 28.523 28.416 0.107 1
1 19 . 1 1 1 A 6 6 GLN N N 27 120.410 121.512 -1.102 1
1 20 . 1 1 1 A 7 7 GLN H H 28 8.470 7.813 0.657 1
1 21 . 1 1 1 A 7 7 GLN C C 28 177.629 178.539 -0.910 1
1 22 . 1 1 1 A 7 7 GLN CA C 28 58.109 58.596 -0.487 1
1 23 . 1 1 1 A 7 7 GLN CB C 28 28.109 27.882 0.227 1
1 24 . 1 1 1 A 7 7 GLN N N 28 118.695 119.293 -0.598 1
1 25 . 1 1 1 A 8 8 VAL H H 29 7.064 8.020 -0.956 1
1 26 . 1 1 1 A 8 8 VAL C C 29 177.747 177.926 -0.179 1
1 27 . 1 1 1 A 8 8 VAL CA C 29 65.746 66.251 -0.505 1
1 28 . 1 1 1 A 8 8 VAL CB C 29 30.993 31.497 -0.504 1
1 29 . 1 1 1 A 8 8 VAL N N 29 119.141 120.245 -1.104 1
1 30 . 1 1 1 A 9 9 GLU H H 30 8.009 8.246 -0.237 1
1 31 . 1 1 1 A 9 9 GLU C C 30 177.754 178.631 -0.877 1
1 32 . 1 1 1 A 9 9 GLU CA C 30 60.835 59.844 0.991 1
1 33 . 1 1 1 A 9 9 GLU CB C 30 30.160 29.206 0.954 1
1 34 . 1 1 1 A 9 9 GLU N N 30 118.533 120.019 -1.486 1
1 35 . 1 1 1 A 10 10 GLN H H 31 7.651 8.130 -0.479 1
1 36 . 1 1 1 A 10 10 GLN C C 31 178.993 178.867 0.126 1
1 37 . 1 1 1 A 10 10 GLN CA C 31 58.968 58.856 0.112 1
1 38 . 1 1 1 A 10 10 GLN CB C 31 28.371 28.473 -0.102 1
1 39 . 1 1 1 A 10 10 GLN N N 31 116.057 118.327 -2.270 1
1 40 . 1 1 1 A 11 11 ASP H H 32 8.443 8.061 0.382 1
1 41 . 1 1 1 A 11 11 ASP C C 32 178.793 178.740 0.053 1
1 42 . 1 1 1 A 11 11 ASP CA C 32 57.750 57.122 0.628 1
1 43 . 1 1 1 A 11 11 ASP CB C 32 39.897 40.544 -0.647 1
1 44 . 1 1 1 A 11 11 ASP N N 32 122.134 120.132 2.002 1
1 45 . 1 1 1 A 12 12 VAL H H 33 8.777 8.017 0.760 1
1 46 . 1 1 1 A 12 12 VAL C C 33 177.553 177.770 -0.217 1
1 47 . 1 1 1 A 12 12 VAL CA C 33 67.111 66.779 0.332 1
1 48 . 1 1 1 A 12 12 VAL CB C 33 31.288 31.311 -0.023 1
1 49 . 1 1 1 A 12 12 VAL N N 33 119.991 120.297 -0.306 1
1 50 . 1 1 1 A 13 13 LYS H H 34 8.033 8.086 -0.053 1
1 51 . 1 1 1 A 13 13 LYS C C 34 179.183 179.311 -0.128 1
1 52 . 1 1 1 A 13 13 LYS CA C 34 59.804 59.351 0.453 1
1 53 . 1 1 1 A 13 13 LYS CB C 34 32.292 32.146 0.146 1
1 54 . 1 1 1 A 13 13 LYS N N 34 119.348 119.133 0.215 1
1 55 . 1 1 1 A 14 14 ALA H H 35 7.752 7.923 -0.171 1
1 56 . 1 1 1 A 14 14 ALA C C 35 181.118 180.280 0.838 1
1 57 . 1 1 1 A 14 14 ALA CA C 35 54.973 54.973 0.000 1
1 58 . 1 1 1 A 14 14 ALA CB C 35 18.061 18.342 -0.281 1
1 59 . 1 1 1 A 14 14 ALA N N 35 119.899 121.621 -1.722 1
1 60 . 1 1 1 A 15 15 ILE H H 36 7.963 7.898 0.065 1
1 61 . 1 1 1 A 15 15 ILE C C 36 177.594 178.026 -0.432 1
1 62 . 1 1 1 A 15 15 ILE CA C 36 64.541 65.383 -0.842 1
1 63 . 1 1 1 A 15 15 ILE CB C 36 38.026 37.638 0.388 1
1 64 . 1 1 1 A 15 15 ILE N N 36 122.250 118.618 3.632 1
1 65 . 1 1 1 A 16 16 GLU H H 37 8.753 8.477 0.276 1
1 66 . 1 1 1 A 16 16 GLU C C 37 179.816 178.845 0.971 1
1 67 . 1 1 1 A 16 16 GLU CA C 37 61.326 58.766 2.560 1
1 68 . 1 1 1 A 16 16 GLU CB C 37 30.918 28.534 2.384 1
1 69 . 1 1 1 A 16 16 GLU N N 37 121.722 120.167 1.555 1
1 70 . 1 1 1 A 17 17 VAL H H 38 7.601 7.727 -0.126 1
1 71 . 1 1 1 A 17 17 VAL C C 38 179.445 178.091 1.354 1
1 72 . 1 1 1 A 17 17 VAL CA C 38 65.662 66.293 -0.631 1
1 73 . 1 1 1 A 17 17 VAL CB C 38 32.234 31.724 0.510 1
1 74 . 1 1 1 A 17 17 VAL N N 38 115.610 121.318 -5.708 1
1 75 . 1 1 1 A 18 18 SER H H 39 8.402 8.203 0.199 1
1 76 . 1 1 1 A 18 18 SER C C 39 176.812 175.705 1.107 1
1 77 . 1 1 1 A 18 18 SER CA C 39 61.903 61.753 0.150 1
1 78 . 1 1 1 A 18 18 SER CB C 39 62.978 62.490 0.488 1
1 79 . 1 1 1 A 18 18 SER N N 39 117.237 114.052 3.185 1
1 80 . 1 1 1 A 19 19 LEU H H 40 8.632 7.638 0.994 1
1 81 . 1 1 1 A 19 19 LEU C C 40 177.433 176.064 1.369 1
1 82 . 1 1 1 A 19 19 LEU CA C 40 54.865 54.306 0.559 1
1 83 . 1 1 1 A 19 19 LEU CB C 40 42.451 42.065 0.386 1
1 84 . 1 1 1 A 19 19 LEU N N 40 117.970 119.252 -1.282 1
1 85 . 1 1 1 A 20 20 SER H H 41 7.782 7.972 -0.190 1
1 86 . 1 1 1 A 20 20 SER C C 41 172.828 173.201 -0.373 1
1 87 . 1 1 1 A 20 20 SER CA C 41 58.849 59.145 -0.296 1
1 88 . 1 1 1 A 20 20 SER CB C 41 61.700 60.989 0.711 1
1 89 . 1 1 1 A 20 20 SER N N 41 117.165 113.136 4.029 1
1 90 . 1 1 1 A 21 21 ALA H H 42 7.882 7.685 0.197 1
1 91 . 1 1 1 A 21 21 ALA C C 42 176.164 176.212 -0.048 1
1 92 . 1 1 1 A 21 21 ALA CA C 42 49.950 50.543 -0.593 1
1 93 . 1 1 1 A 21 21 ALA CB C 42 24.065 22.246 1.819 1
1 94 . 1 1 1 A 21 21 ALA N N 42 120.041 121.232 -1.191 1
1 95 . 1 1 1 A 22 22 ARG H H 43 8.303 8.403 -0.100 1
1 96 . 1 1 1 A 22 22 ARG C C 43 175.861 175.349 0.512 1
1 97 . 1 1 1 A 22 22 ARG CA C 43 55.678 55.442 0.236 1
1 98 . 1 1 1 A 22 22 ARG CB C 43 32.002 32.376 -0.374 1
1 99 . 1 1 1 A 22 22 ARG N N 43 119.325 118.020 1.305 1
1 100 . 1 1 1 A 23 23 ILE H H 44 9.592 8.601 0.991 1
1 101 . 1 1 1 A 23 23 ILE C C 44 173.488 173.684 -0.196 1
1 102 . 1 1 1 A 23 23 ILE CA C 44 60.186 59.596 0.590 1
1 103 . 1 1 1 A 23 23 ILE CB C 44 40.756 42.782 -2.026 1
1 104 . 1 1 1 A 23 23 ILE N N 44 124.423 122.271 2.152 1
1 105 . 1 1 1 A 24 24 GLY H H 45 9.040 8.731 0.309 1
1 106 . 1 1 1 A 24 24 GLY C C 45 171.643 171.976 -0.333 1
1 107 . 1 1 1 A 24 24 GLY CA C 45 44.746 44.268 0.478 1
1 108 . 1 1 1 A 24 24 GLY N N 45 115.340 114.285 1.055 1
1 109 . 1 1 1 A 25 25 VAL H H 46 9.129 8.586 0.543 1
1 110 . 1 1 1 A 25 25 VAL C C 46 174.937 174.031 0.906 1
1 111 . 1 1 1 A 25 25 VAL CA C 46 59.152 60.470 -1.318 1
1 112 . 1 1 1 A 25 25 VAL CB C 46 36.907 36.398 0.509 1
1 113 . 1 1 1 A 25 25 VAL N N 46 122.658 123.057 -0.399 1
1 114 . 1 1 1 A 26 26 SER H H 47 9.249 8.696 0.553 1
1 115 . 1 1 1 A 26 26 SER C C 47 172.204 173.162 -0.958 1
1 116 . 1 1 1 A 26 26 SER CA C 47 57.516 57.191 0.325 1
1 117 . 1 1 1 A 26 26 SER CB C 47 66.728 65.533 1.195 1
1 118 . 1 1 1 A 26 26 SER N N 47 119.143 121.048 -1.905 1
1 119 . 1 1 1 A 27 27 VAL H H 48 8.892 8.737 0.155 1
1 120 . 1 1 1 A 27 27 VAL C C 48 173.719 174.819 -1.100 1
1 121 . 1 1 1 A 27 27 VAL CA C 48 61.535 61.157 0.378 1
1 122 . 1 1 1 A 27 27 VAL CB C 48 35.726 35.238 0.488 1
1 123 . 1 1 1 A 27 27 VAL N N 48 122.803 125.775 -2.972 1
1 124 . 1 1 1 A 28 28 LEU H H 49 9.279 9.009 0.270 1
1 125 . 1 1 1 A 28 28 LEU C C 49 174.182 174.874 -0.692 1
1 126 . 1 1 1 A 28 28 LEU CA C 49 53.664 53.077 0.587 1
1 127 . 1 1 1 A 28 28 LEU CB C 49 45.600 44.314 1.286 1
1 128 . 1 1 1 A 28 28 LEU N N 49 128.350 126.788 1.562 1
1 129 . 1 1 1 A 29 29 ASP H H 50 8.941 8.773 0.168 1
1 130 . 1 1 1 A 29 29 ASP C C 50 177.128 176.772 0.356 1
1 131 . 1 1 1 A 29 29 ASP CA C 50 53.563 52.399 1.164 1
1 132 . 1 1 1 A 29 29 ASP CB C 50 41.929 41.019 0.910 1
1 133 . 1 1 1 A 29 29 ASP N N 50 127.703 124.905 2.798 1
1 134 . 1 1 1 A 30 30 THR H H 51 7.952 8.644 -0.692 1
1 135 . 1 1 1 A 30 30 THR C C 51 175.960 176.396 -0.436 1
1 136 . 1 1 1 A 30 30 THR CA C 51 64.611 65.462 -0.851 1
1 137 . 1 1 1 A 30 30 THR CB C 51 69.080 68.042 1.038 1
1 138 . 1 1 1 A 30 30 THR N N 51 115.753 118.891 -3.138 1
1 139 . 1 1 1 A 31 31 GLN H H 52 8.973 8.125 0.848 1
1 140 . 1 1 1 A 31 31 GLN C C 52 176.975 177.236 -0.261 1
1 141 . 1 1 1 A 31 31 GLN CA C 52 58.284 59.109 -0.825 1
1 142 . 1 1 1 A 31 31 GLN CB C 52 29.286 28.341 0.945 1
1 143 . 1 1 1 A 31 31 GLN N N 52 122.877 121.510 1.367 1
1 144 . 1 1 1 A 32 32 ASN H H 53 7.623 7.903 -0.280 1
1 145 . 1 1 1 A 32 32 ASN C C 53 176.853 176.205 0.648 1
1 146 . 1 1 1 A 32 32 ASN CA C 53 52.038 52.000 0.038 1
1 147 . 1 1 1 A 32 32 ASN CB C 53 39.367 38.738 0.629 1
1 148 . 1 1 1 A 32 32 ASN N N 53 112.807 113.156 -0.349 1
1 149 . 1 1 1 A 33 33 GLY H H 54 8.192 8.168 0.024 1
1 150 . 1 1 1 A 33 33 GLY C C 54 174.193 174.499 -0.306 1
1 151 . 1 1 1 A 33 33 GLY CA C 54 46.258 46.154 0.104 1
1 152 . 1 1 1 A 33 33 GLY N N 54 110.290 110.429 -0.139 1
1 153 . 1 1 1 A 34 34 GLU H H 55 8.116 8.033 0.083 1
1 154 . 1 1 1 A 34 34 GLU C C 55 175.023 175.656 -0.633 1
1 155 . 1 1 1 A 34 34 GLU CA C 55 57.554 55.861 1.693 1
1 156 . 1 1 1 A 34 34 GLU CB C 55 30.817 30.894 -0.077 1
1 157 . 1 1 1 A 34 34 GLU N N 55 121.217 120.493 0.724 1
1 158 . 1 1 1 A 35 35 TYR H H 56 8.433 8.530 -0.097 1
1 159 . 1 1 1 A 35 35 TYR C C 56 175.165 172.906 2.259 1
1 160 . 1 1 1 A 35 35 TYR CA C 56 56.781 56.149 0.632 1
1 161 . 1 1 1 A 35 35 TYR CB C 56 42.068 41.814 0.254 1
1 162 . 1 1 1 A 35 35 TYR N N 56 124.160 118.214 5.946 1
1 173 . 1 1 1 A 38 38 TYR H H 60 8.180 9.049 -0.869 1
1 174 . 1 1 1 A 38 38 TYR C C 60 175.095 174.778 0.317 1
1 175 . 1 1 1 A 38 38 TYR CA C 60 57.771 57.323 0.448 1
1 176 . 1 1 1 A 38 38 TYR CB C 60 41.766 41.598 0.168 1
1 177 . 1 1 1 A 38 38 TYR N N 60 117.495 120.398 -2.903 1
1 178 . 1 1 1 A 39 39 ASN H H 61 8.765 9.126 -0.361 1
1 179 . 1 1 1 A 39 39 ASN C C 61 177.017 176.025 0.992 1
1 180 . 1 1 1 A 39 39 ASN CA C 61 53.946 54.478 -0.532 1
1 181 . 1 1 1 A 39 39 ASN CB C 61 36.158 36.539 -0.381 1
1 182 . 1 1 1 A 39 39 ASN N N 61 123.967 125.766 -1.799 1
1 183 . 1 1 1 A 40 40 GLY H H 62 8.337 7.929 0.408 1
1 184 . 1 1 1 A 40 40 GLY C C 62 173.020 174.789 -1.769 1
1 185 . 1 1 1 A 40 40 GLY CA C 62 47.284 46.640 0.644 1
1 186 . 1 1 1 A 40 40 GLY N N 62 101.356 105.819 -4.463 1
1 187 . 1 1 1 A 41 41 ASN H H 63 8.268 7.894 0.374 1
1 188 . 1 1 1 A 41 41 ASN C C 63 175.339 175.447 -0.108 1
1 189 . 1 1 1 A 41 41 ASN CA C 63 51.791 53.180 -1.389 1
1 190 . 1 1 1 A 41 41 ASN CB C 63 39.001 39.499 -0.498 1
1 191 . 1 1 1 A 41 41 ASN N N 63 112.624 116.626 -4.002 1
1 192 . 1 1 1 A 42 42 GLN H H 64 7.286 7.679 -0.393 1
1 193 . 1 1 1 A 42 42 GLN C C 64 173.558 175.204 -1.646 1
1 194 . 1 1 1 A 42 42 GLN CA C 64 55.097 55.807 -0.710 1
1 195 . 1 1 1 A 42 42 GLN CB C 64 29.494 29.252 0.242 1
1 196 . 1 1 1 A 42 42 GLN N N 64 120.226 119.483 0.743 1
1 197 . 1 1 1 A 43 43 ARG H H 65 7.838 8.490 -0.652 1
1 198 . 1 1 1 A 43 43 ARG C C 65 177.238 175.673 1.565 1
1 199 . 1 1 1 A 43 43 ARG CA C 65 55.084 55.287 -0.203 1
1 200 . 1 1 1 A 43 43 ARG CB C 65 31.873 32.166 -0.293 1
1 201 . 1 1 1 A 43 43 ARG N N 65 115.942 121.187 -5.245 1
1 202 . 1 1 1 A 44 44 PHE H H 66 8.901 8.657 0.244 1
1 203 . 1 1 1 A 44 44 PHE C C 66 172.500 173.509 -1.009 1
1 204 . 1 1 1 A 44 44 PHE CA C 66 55.702 55.781 -0.079 1
1 205 . 1 1 1 A 44 44 PHE CB C 66 43.325 42.509 0.816 1
1 206 . 1 1 1 A 44 44 PHE N N 66 118.743 120.715 -1.972 1
1 207 . 1 1 1 A 45 45 PRO C C 67 177.748 177.866 -0.118 1
1 208 . 1 1 1 A 45 45 PRO CA C 67 62.994 63.134 -0.140 1
1 209 . 1 1 1 A 45 45 PRO CB C 67 32.474 32.268 0.206 1
1 210 . 1 1 1 A 46 46 LEU H H 68 8.927 8.504 0.423 1
1 211 . 1 1 1 A 46 46 LEU C C 68 181.532 177.389 4.143 1
1 212 . 1 1 1 A 46 46 LEU CA C 68 58.463 57.597 0.866 1
1 213 . 1 1 1 A 46 46 LEU CB C 68 44.746 42.497 2.249 1
1 214 . 1 1 1 A 46 46 LEU N N 68 124.901 123.393 1.508 1
1 215 . 1 1 1 A 47 47 THR H H 69 10.643 8.112 2.531 1
1 216 . 1 1 1 A 47 47 THR CA C 69 63.076 63.800 -0.724 1
1 217 . 1 1 1 A 47 47 THR CB C 69 69.401 68.611 0.790 1
1 218 . 1 1 1 A 47 47 THR N N 69 116.355 114.128 2.227 1
1 219 . 1 1 1 A 48 48 SER C C 70 176.723 175.415 1.308 1
1 220 . 1 1 1 A 48 48 SER CA C 70 63.725 61.063 2.662 1
1 221 . 1 1 1 A 49 49 THR H H 71 8.182 8.123 0.059 1
1 222 . 1 1 1 A 49 49 THR C C 71 176.275 176.070 0.205 1
1 223 . 1 1 1 A 49 49 THR CA C 71 65.013 64.815 0.198 1
1 224 . 1 1 1 A 49 49 THR CB C 71 69.715 68.975 0.740 1
1 225 . 1 1 1 A 49 49 THR N N 71 113.737 114.035 -0.298 1
1 226 . 1 1 1 A 50 50 PHE H H 72 8.312 8.103 0.209 1
1 227 . 1 1 1 A 50 50 PHE C C 72 176.934 177.697 -0.763 1
1 228 . 1 1 1 A 50 50 PHE CA C 72 59.191 59.818 -0.627 1
1 229 . 1 1 1 A 50 50 PHE CB C 72 38.566 37.813 0.753 1
1 230 . 1 1 1 A 50 50 PHE N N 72 116.862 120.635 -3.773 1
1 231 . 1 1 1 A 51 51 LYS H H 73 6.723 8.130 -1.407 1
1 232 . 1 1 1 A 51 51 LYS C C 73 175.016 178.918 -3.902 1
1 233 . 1 1 1 A 51 51 LYS CA C 73 61.838 58.979 2.859 1
1 234 . 1 1 1 A 51 51 LYS CB C 73 30.621 31.790 -1.169 1
1 235 . 1 1 1 A 51 51 LYS N N 73 122.809 121.261 1.548 1
1 236 . 1 1 1 A 52 52 THR H H 74 6.557 8.001 -1.444 1
1 237 . 1 1 1 A 52 52 THR C C 74 175.551 177.058 -1.507 1
1 238 . 1 1 1 A 52 52 THR CA C 74 65.313 66.801 -1.488 1
1 239 . 1 1 1 A 52 52 THR CB C 74 69.747 68.080 1.667 1
1 240 . 1 1 1 A 52 52 THR N N 74 111.868 117.632 -5.764 1
1 241 . 1 1 1 A 53 53 ILE H H 75 7.430 8.111 -0.681 1
1 242 . 1 1 1 A 53 53 ILE C C 75 177.192 177.901 -0.709 1
1 243 . 1 1 1 A 53 53 ILE CA C 75 64.103 65.702 -1.599 1
1 244 . 1 1 1 A 53 53 ILE CB C 75 38.652 38.057 0.595 1
1 245 . 1 1 1 A 53 53 ILE N N 75 117.045 122.250 -5.205 1
1 246 . 1 1 1 A 54 54 ALA H H 76 7.301 8.394 -1.093 1
1 247 . 1 1 1 A 54 54 ALA C C 76 177.740 180.584 -2.844 1
1 248 . 1 1 1 A 54 54 ALA CA C 76 55.522 55.476 0.046 1
1 249 . 1 1 1 A 54 54 ALA CB C 76 17.304 17.664 -0.360 1
1 250 . 1 1 1 A 54 54 ALA N N 76 119.588 121.739 -2.151 1
1 251 . 1 1 1 A 55 55 CYS H H 77 7.863 8.167 -0.304 1
1 252 . 1 1 1 A 55 55 CYS C C 77 175.540 176.010 -0.470 1
1 253 . 1 1 1 A 55 55 CYS CA C 77 61.652 60.353 1.299 1
1 254 . 1 1 1 A 55 55 CYS CB C 77 41.607 41.982 -0.375 1
1 255 . 1 1 1 A 55 55 CYS N N 77 112.437 115.733 -3.296 1
1 256 . 1 1 1 A 56 56 ALA H H 78 8.316 8.343 -0.027 1
1 257 . 1 1 1 A 56 56 ALA C C 78 178.700 179.270 -0.570 1
1 258 . 1 1 1 A 56 56 ALA CA C 78 55.561 55.237 0.324 1
1 259 . 1 1 1 A 56 56 ALA CB C 78 16.367 17.547 -1.180 1
1 260 . 1 1 1 A 56 56 ALA N N 78 123.539 122.448 1.091 1
1 261 . 1 1 1 A 57 57 LYS H H 79 7.966 7.728 0.238 1
1 262 . 1 1 1 A 57 57 LYS C C 79 177.185 178.393 -1.208 1
1 263 . 1 1 1 A 57 57 LYS CA C 79 59.756 58.482 1.274 1
1 264 . 1 1 1 A 57 57 LYS CB C 79 31.291 31.614 -0.323 1
1 265 . 1 1 1 A 57 57 LYS N N 79 117.143 117.928 -0.785 1
1 266 . 1 1 1 A 58 58 LEU H H 80 7.532 7.917 -0.385 1
1 267 . 1 1 1 A 58 58 LEU C C 80 177.348 178.184 -0.836 1
1 268 . 1 1 1 A 58 58 LEU CA C 80 59.023 58.105 0.918 1
1 269 . 1 1 1 A 58 58 LEU CB C 80 40.933 41.552 -0.619 1
1 270 . 1 1 1 A 58 58 LEU N N 80 119.166 120.946 -1.780 1
1 271 . 1 1 1 A 59 59 LEU H H 81 7.308 8.315 -1.007 1
1 272 . 1 1 1 A 59 59 LEU C C 81 178.144 179.201 -1.057 1
1 273 . 1 1 1 A 59 59 LEU CA C 81 57.473 57.895 -0.422 1
1 274 . 1 1 1 A 59 59 LEU CB C 81 40.527 41.706 -1.179 1
1 275 . 1 1 1 A 59 59 LEU N N 81 115.342 118.432 -3.090 1
1 276 . 1 1 1 A 60 60 TYR H H 82 8.643 8.347 0.296 1
1 277 . 1 1 1 A 60 60 TYR C C 82 177.953 177.666 0.287 1
1 278 . 1 1 1 A 60 60 TYR CA C 82 62.040 61.862 0.178 1
1 279 . 1 1 1 A 60 60 TYR CB C 82 39.456 38.533 0.923 1
1 280 . 1 1 1 A 60 60 TYR N N 82 122.607 119.311 3.296 1
1 281 . 1 1 1 A 61 61 ASP H H 83 9.466 8.362 1.104 1
1 282 . 1 1 1 A 61 61 ASP C C 83 179.981 178.491 1.490 1
1 283 . 1 1 1 A 61 61 ASP CA C 83 57.255 57.091 0.164 1
1 284 . 1 1 1 A 61 61 ASP CB C 83 39.457 39.943 -0.486 1
1 285 . 1 1 1 A 61 61 ASP N N 83 121.455 118.794 2.661 1
1 286 . 1 1 1 A 62 62 ALA H H 84 8.490 8.242 0.248 1
1 287 . 1 1 1 A 62 62 ALA C C 84 182.376 180.013 2.363 1
1 288 . 1 1 1 A 62 62 ALA CA C 84 54.938 55.055 -0.117 1
1 289 . 1 1 1 A 62 62 ALA CB C 84 18.057 18.073 -0.016 1
1 290 . 1 1 1 A 62 62 ALA N N 84 125.877 122.734 3.143 1
1 291 . 1 1 1 A 63 63 GLU H H 85 8.351 8.235 0.116 1
1 292 . 1 1 1 A 63 63 GLU C C 85 179.130 178.586 0.544 1
1 293 . 1 1 1 A 63 63 GLU CA C 85 59.911 59.549 0.362 1
1 294 . 1 1 1 A 63 63 GLU CB C 85 29.161 29.101 0.060 1
1 295 . 1 1 1 A 63 63 GLU N N 85 122.395 118.932 3.463 1
1 296 . 1 1 1 A 64 64 GLN H H 86 7.601 7.893 -0.292 1
1 297 . 1 1 1 A 64 64 GLN C C 86 176.344 176.395 -0.051 1
1 298 . 1 1 1 A 64 64 GLN CA C 86 55.023 55.338 -0.315 1
1 299 . 1 1 1 A 64 64 GLN CB C 86 28.996 29.101 -0.105 1
1 300 . 1 1 1 A 64 64 GLN N N 86 113.917 116.619 -2.702 1
1 301 . 1 1 1 A 65 65 GLY H H 87 7.911 7.913 -0.002 1
1 302 . 1 1 1 A 65 65 GLY C C 87 174.963 174.817 0.146 1
1 303 . 1 1 1 A 65 65 GLY CA C 87 45.837 45.888 -0.051 1
1 304 . 1 1 1 A 65 65 GLY N N 87 107.914 107.918 -0.004 1
1 305 . 1 1 1 A 66 66 LYS H H 88 8.303 8.252 0.051 1
1 306 . 1 1 1 A 66 66 LYS C C 88 175.797 176.129 -0.332 1
1 307 . 1 1 1 A 66 66 LYS CA C 88 57.269 56.957 0.312 1
1 308 . 1 1 1 A 66 66 LYS CB C 88 33.877 32.770 1.107 1
1 309 . 1 1 1 A 66 66 LYS N N 88 118.071 118.699 -0.628 1
1 310 . 1 1 1 A 67 67 VAL H H 89 6.995 7.558 -0.563 1
1 311 . 1 1 1 A 67 67 VAL C C 89 172.574 172.360 0.214 1
1 312 . 1 1 1 A 67 67 VAL CA C 89 59.755 59.924 -0.169 1
1 313 . 1 1 1 A 67 67 VAL CB C 89 35.583 34.675 0.908 1
1 314 . 1 1 1 A 67 67 VAL N N 89 114.829 115.848 -1.019 1
1 315 . 1 1 1 A 68 68 ASN H H 90 8.763 8.739 0.024 1
1 316 . 1 1 1 A 68 68 ASN CA C 90 48.876 49.682 -0.806 1
1 317 . 1 1 1 A 68 68 ASN CB C 90 39.258 39.955 -0.697 1
1 318 . 1 1 1 A 68 68 ASN N N 90 123.201 125.846 -2.645 1
1 319 . 1 1 1 A 69 69 PRO C C 91 174.562 177.710 -3.148 1
1 320 . 1 1 1 A 69 69 PRO CA C 91 64.543 64.267 0.276 1
1 321 . 1 1 1 A 69 69 PRO CB C 91 32.122 31.994 0.128 1
1 322 . 1 1 1 A 70 70 ASN H H 92 8.026 8.147 -0.121 1
1 323 . 1 1 1 A 70 70 ASN C C 92 175.378 175.070 0.308 1
1 324 . 1 1 1 A 70 70 ASN CA C 92 53.133 53.124 0.009 1
1 325 . 1 1 1 A 70 70 ASN CB C 92 38.847 39.126 -0.279 1
1 326 . 1 1 1 A 70 70 ASN N N 92 112.475 116.129 -3.654 1
1 327 . 1 1 1 A 71 71 SER H H 93 8.006 7.547 0.459 1
1 328 . 1 1 1 A 71 71 SER C C 93 172.826 174.569 -1.743 1
1 329 . 1 1 1 A 71 71 SER CA C 93 59.797 58.273 1.524 1
1 330 . 1 1 1 A 71 71 SER CB C 93 64.094 63.805 0.289 1
1 331 . 1 1 1 A 71 71 SER N N 93 117.585 114.546 3.039 1
1 332 . 1 1 1 A 72 72 THR H H 94 7.881 8.463 -0.582 1
1 333 . 1 1 1 A 72 72 THR C C 94 175.685 173.635 2.050 1
1 334 . 1 1 1 A 72 72 THR CA C 94 59.412 59.598 -0.186 1
1 335 . 1 1 1 A 72 72 THR CB C 94 72.330 71.482 0.848 1
1 336 . 1 1 1 A 72 72 THR N N 94 108.287 112.769 -4.482 1
1 337 . 1 1 1 A 73 73 VAL H H 95 8.875 9.017 -0.142 1
1 338 . 1 1 1 A 73 73 VAL C C 95 174.499 175.244 -0.745 1
1 339 . 1 1 1 A 73 73 VAL CA C 95 60.609 60.628 -0.019 1
1 340 . 1 1 1 A 73 73 VAL CB C 95 35.269 34.990 0.279 1
1 341 . 1 1 1 A 73 73 VAL N N 95 119.082 121.317 -2.235 1
1 342 . 1 1 1 A 74 74 GLU H H 96 8.357 8.616 -0.259 1
1 343 . 1 1 1 A 74 74 GLU C C 96 176.285 175.661 0.624 1
1 344 . 1 1 1 A 74 74 GLU CA C 96 55.744 56.638 -0.894 1
1 345 . 1 1 1 A 74 74 GLU CB C 96 30.562 30.553 0.009 1
1 346 . 1 1 1 A 74 74 GLU N N 96 124.427 126.769 -2.342 1
1 347 . 1 1 1 A 75 75 ILE H H 97 8.564 8.888 -0.324 1
1 348 . 1 1 1 A 75 75 ILE C C 97 176.456 175.355 1.101 1
1 349 . 1 1 1 A 75 75 ILE CA C 97 60.084 60.002 0.082 1
1 350 . 1 1 1 A 75 75 ILE CB C 97 35.979 38.255 -2.276 1
1 351 . 1 1 1 A 75 75 ILE N N 97 126.045 127.031 -0.986 1
1 352 . 1 1 1 A 76 76 LYS H H 98 9.033 8.856 0.177 1
1 353 . 1 1 1 A 76 76 LYS C C 98 177.032 177.057 -0.025 1
1 354 . 1 1 1 A 76 76 LYS CA C 98 54.252 54.073 0.179 1
1 355 . 1 1 1 A 76 76 LYS CB C 98 33.426 34.734 -1.308 1
1 356 . 1 1 1 A 76 76 LYS N N 98 130.456 127.988 2.468 1
1 357 . 1 1 1 A 77 77 LYS H H 99 8.904 9.028 -0.124 1
1 358 . 1 1 1 A 77 77 LYS C C 99 178.802 178.292 0.510 1
1 359 . 1 1 1 A 77 77 LYS CA C 99 59.873 59.914 -0.041 1
1 360 . 1 1 1 A 77 77 LYS CB C 99 32.240 32.053 0.187 1
1 361 . 1 1 1 A 77 77 LYS N N 99 123.903 125.000 -1.097 1
1 362 . 1 1 1 A 78 78 ALA H H 100 8.330 7.832 0.498 1
1 363 . 1 1 1 A 78 78 ALA C C 100 177.816 177.933 -0.117 1
1 364 . 1 1 1 A 78 78 ALA CA C 100 53.878 53.858 0.020 1
1 365 . 1 1 1 A 78 78 ALA CB C 100 18.750 18.514 0.236 1
1 366 . 1 1 1 A 78 78 ALA N N 100 117.679 120.427 -2.748 1
1 367 . 1 1 1 A 79 79 ASP H H 101 7.527 7.773 -0.246 1
1 368 . 1 1 1 A 79 79 ASP C C 101 176.009 176.994 -0.985 1
1 369 . 1 1 1 A 79 79 ASP CA C 101 54.993 55.084 -0.091 1
1 370 . 1 1 1 A 79 79 ASP CB C 101 41.559 41.581 -0.022 1
1 371 . 1 1 1 A 79 79 ASP N N 101 115.318 116.490 -1.172 1
1 372 . 1 1 1 A 80 80 LEU H H 102 7.107 7.389 -0.282 1
1 373 . 1 1 1 A 80 80 LEU C C 102 177.887 176.392 1.495 1
1 374 . 1 1 1 A 80 80 LEU CA C 102 55.912 55.972 -0.060 1
1 375 . 1 1 1 A 80 80 LEU CB C 102 42.008 42.094 -0.086 1
1 376 . 1 1 1 A 80 80 LEU N N 102 116.953 122.072 -5.119 1
1 377 . 1 1 1 A 81 81 VAL H H 103 7.873 8.788 -0.915 1
1 378 . 1 1 1 A 81 81 VAL C C 103 176.558 175.382 1.176 1
1 379 . 1 1 1 A 81 81 VAL CA C 103 59.337 58.771 0.566 1
1 380 . 1 1 1 A 81 81 VAL CB C 103 34.507 35.492 -0.985 1
1 381 . 1 1 1 A 81 81 VAL N N 103 119.626 119.009 0.617 1
1 382 . 1 1 1 A 82 82 THR H H 104 8.202 8.450 -0.248 1
1 383 . 1 1 1 A 82 82 THR C C 104 172.709 175.389 -2.680 1
1 384 . 1 1 1 A 82 82 THR CA C 104 64.066 64.906 -0.840 1
1 385 . 1 1 1 A 82 82 THR CB C 104 69.161 68.590 0.571 1
1 386 . 1 1 1 A 82 82 THR N N 104 119.835 117.643 2.192 1
1 387 . 1 1 1 A 83 83 TYR H H 105 8.692 9.007 -0.315 1
1 388 . 1 1 1 A 83 83 TYR C C 105 172.273 175.256 -2.983 1
1 389 . 1 1 1 A 83 83 TYR CA C 105 60.474 58.887 1.587 1
1 390 . 1 1 1 A 83 83 TYR CB C 105 36.092 36.841 -0.749 1
1 391 . 1 1 1 A 83 83 TYR N N 105 123.059 125.887 -2.828 1
1 392 . 1 1 1 A 84 84 SER H H 106 8.477 8.352 0.125 1
1 393 . 1 1 1 A 84 84 SER CA C 106 55.211 55.565 -0.354 1
1 394 . 1 1 1 A 84 84 SER CB C 106 64.706 63.413 1.293 1
1 395 . 1 1 1 A 84 84 SER N N 106 117.950 118.362 -0.412 1
1 396 . 1 1 1 A 85 85 PRO C C 107 178.030 178.929 -0.899 1
1 397 . 1 1 1 A 85 85 PRO CA C 107 64.065 65.213 -1.148 1
1 398 . 1 1 1 A 85 85 PRO CB C 107 32.405 31.642 0.763 1
1 399 . 1 1 1 A 86 86 VAL H H 108 8.690 7.247 1.443 1
1 400 . 1 1 1 A 86 86 VAL C C 108 178.644 177.985 0.659 1
1 401 . 1 1 1 A 86 86 VAL CA C 108 64.630 65.342 -0.712 1
1 402 . 1 1 1 A 86 86 VAL CB C 108 33.250 31.675 1.575 1
1 403 . 1 1 1 A 86 86 VAL N N 108 118.857 115.919 2.938 1
1 404 . 1 1 1 A 87 87 ILE H H 109 9.530 8.244 1.286 1
1 405 . 1 1 1 A 87 87 ILE C C 109 178.674 178.621 0.053 1
1 406 . 1 1 1 A 87 87 ILE CA C 109 61.734 64.833 -3.099 1
1 407 . 1 1 1 A 87 87 ILE CB C 109 34.904 36.736 -1.832 1
1 408 . 1 1 1 A 87 87 ILE N N 109 121.483 119.358 2.125 1
1 409 . 1 1 1 A 88 88 GLU H H 110 8.391 9.099 -0.708 1
1 410 . 1 1 1 A 88 88 GLU C C 110 177.333 177.266 0.067 1
1 411 . 1 1 1 A 88 88 GLU CA C 110 58.866 58.310 0.556 1
1 412 . 1 1 1 A 88 88 GLU CB C 110 28.219 28.044 0.175 1
1 413 . 1 1 1 A 88 88 GLU N N 110 116.408 119.907 -3.499 1
1 414 . 1 1 1 A 89 89 LYS H H 111 6.939 7.823 -0.884 1
1 415 . 1 1 1 A 89 89 LYS C C 111 177.067 177.652 -0.585 1
1 416 . 1 1 1 A 89 89 LYS CA C 111 56.343 57.115 -0.772 1
1 417 . 1 1 1 A 89 89 LYS CB C 111 32.573 32.492 0.081 1
1 418 . 1 1 1 A 89 89 LYS N N 111 115.857 118.696 -2.839 1
1 419 . 1 1 1 A 90 90 GLN H H 112 7.955 7.782 0.173 1
1 420 . 1 1 1 A 90 90 GLN C C 112 174.432 175.237 -0.805 1
1 421 . 1 1 1 A 90 90 GLN CA C 112 54.743 54.998 -0.255 1
1 422 . 1 1 1 A 90 90 GLN CB C 112 30.286 29.154 1.132 1
1 423 . 1 1 1 A 90 90 GLN N N 112 117.929 116.713 1.216 1
1 424 . 1 1 1 A 91 91 VAL H H 113 7.207 7.259 -0.052 1
1 425 . 1 1 1 A 91 91 VAL C C 113 177.573 177.315 0.258 1
1 426 . 1 1 1 A 91 91 VAL CA C 113 65.395 65.373 0.022 1
1 427 . 1 1 1 A 91 91 VAL CB C 113 31.036 31.453 -0.417 1
1 428 . 1 1 1 A 91 91 VAL N N 113 119.007 118.940 0.067 1
1 429 . 1 1 1 A 92 92 GLY H H 114 8.723 8.803 -0.080 1
1 430 . 1 1 1 A 92 92 GLY C C 114 173.971 173.478 0.493 1
1 431 . 1 1 1 A 92 92 GLY CA C 114 45.127 45.271 -0.144 1
1 432 . 1 1 1 A 92 92 GLY N N 114 116.093 114.887 1.206 1
1 433 . 1 1 1 A 93 93 GLN H H 115 8.219 7.911 0.308 1
1 434 . 1 1 1 A 93 93 GLN C C 115 173.446 174.654 -1.208 1
1 435 . 1 1 1 A 93 93 GLN CA C 115 54.116 54.046 0.070 1
1 436 . 1 1 1 A 93 93 GLN CB C 115 30.158 31.646 -1.488 1
1 437 . 1 1 1 A 93 93 GLN N N 115 119.361 119.052 0.309 1
1 438 . 1 1 1 A 94 94 ALA H H 116 8.211 8.734 -0.523 1
1 439 . 1 1 1 A 94 94 ALA C C 116 177.086 175.409 1.677 1
1 440 . 1 1 1 A 94 94 ALA CA C 116 50.624 49.903 0.721 1
1 441 . 1 1 1 A 94 94 ALA CB C 116 20.088 22.806 -2.718 1
1 442 . 1 1 1 A 94 94 ALA N N 116 121.983 121.342 0.641 1
1 443 . 1 1 1 A 95 95 ILE H H 117 8.500 8.879 -0.379 1
1 444 . 1 1 1 A 95 95 ILE C C 117 174.748 174.906 -0.158 1
1 445 . 1 1 1 A 95 95 ILE CA C 117 58.778 59.263 -0.485 1
1 446 . 1 1 1 A 95 95 ILE CB C 117 41.585 41.957 -0.372 1
1 447 . 1 1 1 A 95 95 ILE N N 117 119.415 120.555 -1.140 1
1 448 . 1 1 1 A 96 96 THR H H 118 8.747 8.727 0.020 1
1 449 . 1 1 1 A 96 96 THR C C 118 176.400 176.194 0.206 1
1 450 . 1 1 1 A 96 96 THR CA C 118 60.183 60.608 -0.425 1
1 451 . 1 1 1 A 96 96 THR CB C 118 71.387 70.952 0.435 1
1 452 . 1 1 1 A 96 96 THR N N 118 113.069 117.016 -3.947 1
1 453 . 1 1 1 A 97 97 LEU H H 119 7.735 8.666 -0.931 1
1 454 . 1 1 1 A 97 97 LEU C C 119 179.199 178.558 0.641 1
1 455 . 1 1 1 A 97 97 LEU CA C 119 57.848 58.109 -0.261 1
1 456 . 1 1 1 A 97 97 LEU CB C 119 40.857 41.612 -0.755 1
1 457 . 1 1 1 A 97 97 LEU N N 119 119.583 123.088 -3.505 1
1 458 . 1 1 1 A 98 98 ASP H H 120 8.371 8.320 0.051 1
1 459 . 1 1 1 A 98 98 ASP C C 120 178.118 178.122 -0.004 1
1 460 . 1 1 1 A 98 98 ASP CA C 120 58.648 58.035 0.613 1
1 461 . 1 1 1 A 98 98 ASP CB C 120 42.451 41.433 1.018 1
1 462 . 1 1 1 A 98 98 ASP N N 120 119.493 120.182 -0.689 1
1 463 . 1 1 1 A 99 99 ASP H H 121 8.194 7.931 0.263 1
1 464 . 1 1 1 A 99 99 ASP C C 121 179.919 178.399 1.520 1
1 465 . 1 1 1 A 99 99 ASP CA C 121 57.115 57.343 -0.228 1
1 466 . 1 1 1 A 99 99 ASP CB C 121 39.875 40.533 -0.658 1
1 467 . 1 1 1 A 99 99 ASP N N 121 118.300 118.838 -0.538 1
1 468 . 1 1 1 A 100 100 ALA H H 122 8.545 7.994 0.551 1
1 469 . 1 1 1 A 100 100 ALA C C 122 179.848 180.148 -0.300 1
1 470 . 1 1 1 A 100 100 ALA CA C 122 55.526 54.980 0.546 1
1 471 . 1 1 1 A 100 100 ALA CB C 122 16.104 17.703 -1.599 1
1 472 . 1 1 1 A 100 100 ALA N N 122 125.219 121.808 3.411 1
1 473 . 1 1 1 A 101 101 CYS H H 123 8.186 8.145 0.041 1
1 474 . 1 1 1 A 101 101 CYS C C 123 175.844 175.679 0.165 1
1 475 . 1 1 1 A 101 101 CYS CA C 123 63.781 60.848 2.933 1
1 476 . 1 1 1 A 101 101 CYS CB C 123 42.009 42.206 -0.197 1
1 477 . 1 1 1 A 101 101 CYS N N 123 118.799 115.658 3.141 1
1 478 . 1 1 1 A 102 102 PHE H H 124 8.472 8.343 0.129 1
1 479 . 1 1 1 A 102 102 PHE C C 124 179.322 176.924 2.398 1
1 480 . 1 1 1 A 102 102 PHE CA C 124 62.305 61.322 0.983 1
1 481 . 1 1 1 A 102 102 PHE CB C 124 38.311 39.182 -0.871 1
1 482 . 1 1 1 A 102 102 PHE N N 124 122.248 121.323 0.925 1
1 483 . 1 1 1 A 103 103 ALA H H 125 8.751 8.090 0.661 1
1 484 . 1 1 1 A 103 103 ALA C C 125 180.773 179.702 1.071 1
1 485 . 1 1 1 A 103 103 ALA CA C 125 55.388 55.171 0.217 1
1 486 . 1 1 1 A 103 103 ALA CB C 125 17.708 18.534 -0.826 1
1 487 . 1 1 1 A 103 103 ALA N N 125 121.660 120.893 0.767 1
1 488 . 1 1 1 A 104 104 THR H H 126 8.525 7.791 0.734 1
1 489 . 1 1 1 A 104 104 THR C C 126 175.816 176.598 -0.782 1
1 490 . 1 1 1 A 104 104 THR CA C 126 67.235 65.781 1.454 1
1 491 . 1 1 1 A 104 104 THR CB C 126 68.442 68.582 -0.140 1
1 492 . 1 1 1 A 104 104 THR N N 126 116.388 112.120 4.268 1
1 493 . 1 1 1 A 105 105 MET H H 127 8.527 8.135 0.392 1
1 494 . 1 1 1 A 105 105 MET C C 127 180.632 177.547 3.085 1
1 495 . 1 1 1 A 105 105 MET CA C 127 55.576 58.093 -2.517 1
1 496 . 1 1 1 A 105 105 MET CB C 127 29.951 32.746 -2.795 1
1 497 . 1 1 1 A 105 105 MET N N 127 119.733 118.742 0.991 1
1 498 . 1 1 1 A 106 106 THR H H 128 7.943 7.723 0.220 1
1 499 . 1 1 1 A 106 106 THR C C 128 176.232 175.621 0.611 1
1 500 . 1 1 1 A 106 106 THR CA C 128 64.352 62.983 1.369 1
1 501 . 1 1 1 A 106 106 THR CB C 128 70.760 69.307 1.453 1
1 502 . 1 1 1 A 106 106 THR N N 128 109.664 108.498 1.166 1
1 503 . 1 1 1 A 107 107 THR H H 129 7.318 7.895 -0.577 1
1 504 . 1 1 1 A 107 107 THR C C 129 175.187 175.502 -0.315 1
1 505 . 1 1 1 A 107 107 THR CA C 129 62.562 61.665 0.897 1
1 506 . 1 1 1 A 107 107 THR CB C 129 73.853 71.171 2.682 1
1 507 . 1 1 1 A 107 107 THR N N 129 106.375 111.262 -4.887 1
1 508 . 1 1 1 A 108 108 SER H H 130 7.867 7.999 -0.132 1
1 509 . 1 1 1 A 108 108 SER C C 130 173.715 173.499 0.216 1
1 510 . 1 1 1 A 108 108 SER CA C 130 60.258 60.130 0.128 1
1 511 . 1 1 1 A 108 108 SER CB C 130 62.806 61.313 1.493 1
1 512 . 1 1 1 A 108 108 SER N N 130 112.044 113.213 -1.169 1
1 513 . 1 1 1 A 109 109 ASP H H 131 7.355 8.073 -0.718 1
1 514 . 1 1 1 A 109 109 ASP C C 131 177.532 176.937 0.595 1
1 515 . 1 1 1 A 109 109 ASP CA C 131 57.115 54.944 2.171 1
1 516 . 1 1 1 A 109 109 ASP CB C 131 43.924 42.275 1.649 1
1 517 . 1 1 1 A 109 109 ASP N N 131 119.948 122.270 -2.322 1
1 518 . 1 1 1 A 110 110 ASN H H 132 9.205 8.839 0.366 1
1 519 . 1 1 1 A 110 110 ASN C C 132 177.536 177.830 -0.294 1
1 520 . 1 1 1 A 110 110 ASN CA C 132 56.556 56.144 0.412 1
1 521 . 1 1 1 A 110 110 ASN CB C 132 39.058 38.561 0.497 1
1 522 . 1 1 1 A 110 110 ASN N N 132 129.673 124.749 4.924 1
1 523 . 1 1 1 A 111 111 THR H H 133 8.278 7.884 0.394 1
1 524 . 1 1 1 A 111 111 THR C C 133 176.939 176.160 0.779 1
1 525 . 1 1 1 A 111 111 THR CA C 133 68.410 66.280 2.130 1
1 526 . 1 1 1 A 111 111 THR CB C 133 67.978 68.612 -0.634 1
1 527 . 1 1 1 A 111 111 THR N N 133 121.561 117.523 4.038 1
1 528 . 1 1 1 A 112 112 ALA H H 134 9.293 8.579 0.714 1
1 529 . 1 1 1 A 112 112 ALA C C 134 178.292 179.548 -1.256 1
1 530 . 1 1 1 A 112 112 ALA CA C 134 55.203 55.498 -0.295 1
1 531 . 1 1 1 A 112 112 ALA CB C 134 18.399 17.819 0.580 1
1 532 . 1 1 1 A 112 112 ALA N N 134 123.767 123.849 -0.082 1
1 533 . 1 1 1 A 113 113 ALA H H 135 7.113 7.990 -0.877 1
1 534 . 1 1 1 A 113 113 ALA C C 135 178.386 180.194 -1.808 1
1 535 . 1 1 1 A 113 113 ALA CA C 135 55.551 55.279 0.272 1
1 536 . 1 1 1 A 113 113 ALA CB C 135 19.069 18.296 0.773 1
1 537 . 1 1 1 A 113 113 ALA N N 135 116.049 120.566 -4.517 1
1 538 . 1 1 1 A 114 114 ASN H H 136 7.829 8.119 -0.290 1
1 539 . 1 1 1 A 114 114 ASN C C 136 179.686 178.455 1.231 1
1 540 . 1 1 1 A 114 114 ASN CA C 136 55.503 56.409 -0.906 1
1 541 . 1 1 1 A 114 114 ASN CB C 136 36.854 37.909 -1.055 1
1 542 . 1 1 1 A 114 114 ASN N N 136 119.490 116.987 2.503 1
1 543 . 1 1 1 A 115 115 ILE H H 137 8.508 7.720 0.788 1
1 544 . 1 1 1 A 115 115 ILE C C 137 178.764 178.460 0.304 1
1 545 . 1 1 1 A 115 115 ILE CA C 137 65.550 65.266 0.284 1
1 546 . 1 1 1 A 115 115 ILE CB C 137 37.845 37.892 -0.047 1
1 547 . 1 1 1 A 115 115 ILE N N 137 124.833 120.078 4.755 1
1 548 . 1 1 1 A 116 116 ILE H H 138 7.753 8.076 -0.323 1
1 549 . 1 1 1 A 116 116 ILE C C 138 178.538 178.317 0.221 1
1 550 . 1 1 1 A 116 116 ILE CA C 138 62.295 65.019 -2.724 1
1 551 . 1 1 1 A 116 116 ILE CB C 138 35.398 37.813 -2.415 1
1 552 . 1 1 1 A 116 116 ILE N N 138 120.616 121.436 -0.820 1
1 553 . 1 1 1 A 117 117 LEU H H 139 8.959 8.259 0.700 1
1 554 . 1 1 1 A 117 117 LEU C C 139 179.489 179.459 0.030 1
1 555 . 1 1 1 A 117 117 LEU CA C 139 58.204 58.010 0.194 1
1 556 . 1 1 1 A 117 117 LEU CB C 139 42.436 41.312 1.124 1
1 557 . 1 1 1 A 117 117 LEU N N 139 118.439 119.496 -1.057 1
1 558 . 1 1 1 A 118 118 SER H H 140 8.123 8.516 -0.393 1
1 559 . 1 1 1 A 118 118 SER C C 140 176.306 175.301 1.005 1
1 560 . 1 1 1 A 118 118 SER CA C 140 61.659 61.146 0.513 1
1 561 . 1 1 1 A 118 118 SER CB C 140 62.941 62.643 0.298 1
1 562 . 1 1 1 A 118 118 SER N N 140 113.515 113.444 0.071 1
1 563 . 1 1 1 A 119 119 ALA H H 141 7.757 7.688 0.069 1
1 564 . 1 1 1 A 119 119 ALA C C 141 179.260 177.793 1.467 1
1 565 . 1 1 1 A 119 119 ALA CA C 141 53.752 53.152 0.600 1
1 566 . 1 1 1 A 119 119 ALA CB C 141 20.223 19.593 0.630 1
1 567 . 1 1 1 A 119 119 ALA N N 141 123.215 122.569 0.646 1
1 568 . 1 1 1 A 120 120 VAL H H 142 7.705 7.474 0.231 1
1 569 . 1 1 1 A 120 120 VAL C C 142 176.251 175.571 0.680 1
1 570 . 1 1 1 A 120 120 VAL CA C 142 59.756 60.526 -0.770 1
1 571 . 1 1 1 A 120 120 VAL CB C 142 32.076 31.375 0.701 1
1 572 . 1 1 1 A 120 120 VAL N N 142 107.292 111.009 -3.717 1
1 573 . 1 1 1 A 121 121 GLY H H 143 7.602 7.953 -0.351 1
1 574 . 1 1 1 A 121 121 GLY C C 143 176.167 175.111 1.056 1
1 575 . 1 1 1 A 121 121 GLY CA C 143 45.644 45.373 0.271 1
1 576 . 1 1 1 A 121 121 GLY N N 143 108.552 110.064 -1.512 1
1 577 . 1 1 1 A 122 122 GLY H H 144 9.018 8.607 0.411 1
1 578 . 1 1 1 A 122 122 GLY C C 144 170.357 175.801 -5.444 1
1 579 . 1 1 1 A 122 122 GLY CA C 144 45.413 44.922 0.491 1
1 580 . 1 1 1 A 122 122 GLY N N 144 110.331 109.141 1.190 1
1 581 . 1 1 1 A 123 123 PRO C C 145 178.357 178.747 -0.390 1
1 582 . 1 1 1 A 123 123 PRO CA C 145 66.262 65.221 1.041 1
1 583 . 1 1 1 A 123 123 PRO CB C 145 31.985 31.878 0.107 1
1 584 . 1 1 1 A 124 124 LYS H H 146 8.633 8.170 0.463 1
1 585 . 1 1 1 A 124 124 LYS C C 146 178.319 180.066 -1.747 1
1 586 . 1 1 1 A 124 124 LYS CA C 146 59.686 59.498 0.188 1
1 587 . 1 1 1 A 124 124 LYS CB C 146 32.436 32.226 0.210 1
1 588 . 1 1 1 A 124 124 LYS N N 146 117.956 117.920 0.036 1
1 589 . 1 1 1 A 125 125 GLY H H 147 7.458 8.222 -0.764 1
1 590 . 1 1 1 A 125 125 GLY C C 147 177.516 176.120 1.396 1
1 591 . 1 1 1 A 125 125 GLY CA C 147 46.973 47.512 -0.539 1
1 592 . 1 1 1 A 125 125 GLY N N 147 108.135 108.718 -0.583 1
1 593 . 1 1 1 A 126 126 VAL H H 148 8.455 8.116 0.339 1
1 594 . 1 1 1 A 126 126 VAL C C 148 177.023 177.755 -0.732 1
1 595 . 1 1 1 A 126 126 VAL CA C 148 67.365 65.621 1.744 1
1 596 . 1 1 1 A 126 126 VAL CB C 148 31.327 32.070 -0.743 1
1 597 . 1 1 1 A 126 126 VAL N N 148 121.967 122.283 -0.316 1
1 598 . 1 1 1 A 127 127 THR H H 149 8.583 8.228 0.355 1
1 599 . 1 1 1 A 127 127 THR C C 149 175.408 176.022 -0.614 1
1 600 . 1 1 1 A 127 127 THR CA C 149 68.657 67.161 1.496 1
1 601 . 1 1 1 A 127 127 THR N N 149 119.001 116.579 2.422 1
1 602 . 1 1 1 A 128 128 ASP H H 150 8.798 8.244 0.554 1
1 603 . 1 1 1 A 128 128 ASP C C 150 179.147 178.962 0.185 1
1 604 . 1 1 1 A 128 128 ASP CA C 150 57.895 57.400 0.495 1
1 605 . 1 1 1 A 128 128 ASP CB C 150 40.174 40.228 -0.054 1
1 606 . 1 1 1 A 128 128 ASP N N 150 121.678 121.260 0.418 1
1 607 . 1 1 1 A 129 129 PHE H H 151 7.838 8.063 -0.225 1
1 608 . 1 1 1 A 129 129 PHE C C 151 176.086 177.151 -1.065 1
1 609 . 1 1 1 A 129 129 PHE CA C 151 59.323 61.461 -2.138 1
1 610 . 1 1 1 A 129 129 PHE CB C 151 39.195 39.303 -0.108 1
1 611 . 1 1 1 A 129 129 PHE N N 151 122.498 122.707 -0.209 1
1 612 . 1 1 1 A 130 130 LEU H H 152 8.146 8.503 -0.357 1
1 613 . 1 1 1 A 130 130 LEU C C 152 178.586 179.410 -0.824 1
1 614 . 1 1 1 A 130 130 LEU CA C 152 57.907 57.778 0.129 1
1 615 . 1 1 1 A 130 130 LEU CB C 152 40.581 41.286 -0.705 1
1 616 . 1 1 1 A 130 130 LEU N N 152 120.676 118.718 1.958 1
1 617 . 1 1 1 A 131 131 ARG H H 153 8.223 8.154 0.069 1
1 618 . 1 1 1 A 131 131 ARG C C 153 181.353 179.177 2.176 1
1 619 . 1 1 1 A 131 131 ARG CA C 153 57.332 59.533 -2.201 1
1 620 . 1 1 1 A 131 131 ARG CB C 153 28.410 29.743 -1.333 1
1 621 . 1 1 1 A 131 131 ARG N N 153 116.388 119.041 -2.653 1
1 622 . 1 1 1 A 132 132 GLN H H 154 8.183 7.989 0.194 1
1 623 . 1 1 1 A 132 132 GLN C C 154 178.480 178.079 0.401 1
1 624 . 1 1 1 A 132 132 GLN CA C 154 58.933 58.933 0.000 1
1 625 . 1 1 1 A 132 132 GLN CB C 154 28.245 28.053 0.192 1
1 626 . 1 1 1 A 132 132 GLN N N 154 121.742 118.374 3.368 1
1 627 . 1 1 1 A 133 133 ILE H H 155 7.631 7.829 -0.198 1
1 628 . 1 1 1 A 133 133 ILE C C 155 176.430 175.984 0.446 1
1 629 . 1 1 1 A 133 133 ILE CA C 155 60.929 61.514 -0.585 1
1 630 . 1 1 1 A 133 133 ILE CB C 155 37.778 38.380 -0.602 1
1 631 . 1 1 1 A 133 133 ILE N N 155 111.428 115.516 -4.088 1
1 632 . 1 1 1 A 134 134 GLY H H 156 7.586 7.941 -0.355 1
1 633 . 1 1 1 A 134 134 GLY C C 156 172.968 173.855 -0.887 1
1 634 . 1 1 1 A 134 134 GLY CA C 156 45.690 44.982 0.708 1
1 635 . 1 1 1 A 134 134 GLY N N 156 109.054 110.725 -1.671 1
1 636 . 1 1 1 A 135 135 ASP H H 157 8.288 7.975 0.313 1
1 637 . 1 1 1 A 135 135 ASP C C 157 176.293 176.259 0.034 1
1 638 . 1 1 1 A 135 135 ASP CA C 157 52.917 53.681 -0.764 1
1 639 . 1 1 1 A 135 135 ASP CB C 157 39.990 40.849 -0.859 1
1 640 . 1 1 1 A 135 135 ASP N N 157 123.129 120.529 2.600 1
1 641 . 1 1 1 A 136 136 LYS H H 158 8.581 8.688 -0.107 1
1 642 . 1 1 1 A 136 136 LYS C C 158 176.372 176.692 -0.320 1
1 643 . 1 1 1 A 136 136 LYS CA C 158 56.388 57.073 -0.685 1
1 644 . 1 1 1 A 136 136 LYS CB C 158 32.998 32.427 0.571 1
1 645 . 1 1 1 A 136 136 LYS N N 158 123.318 125.515 -2.197 1
1 646 . 1 1 1 A 137 137 GLU H H 159 8.600 7.657 0.943 1
1 647 . 1 1 1 A 137 137 GLU C C 159 177.409 176.990 0.419 1
1 648 . 1 1 1 A 137 137 GLU CA C 159 57.480 57.570 -0.090 1
1 649 . 1 1 1 A 137 137 GLU CB C 159 33.032 30.924 2.108 1
1 650 . 1 1 1 A 137 137 GLU N N 159 118.051 116.646 1.405 1
1 651 . 1 1 1 A 138 138 THR H H 160 9.746 7.663 2.083 1
1 652 . 1 1 1 A 138 138 THR C C 160 173.854 174.589 -0.735 1
1 653 . 1 1 1 A 138 138 THR CA C 160 64.676 63.997 0.679 1
1 654 . 1 1 1 A 138 138 THR CB C 160 66.411 69.593 -3.182 1
1 655 . 1 1 1 A 138 138 THR N N 160 124.268 115.741 8.527 1
1 656 . 1 1 1 A 139 139 ARG H H 161 9.012 8.736 0.276 1
1 657 . 1 1 1 A 139 139 ARG C C 161 170.666 173.881 -3.215 1
1 658 . 1 1 1 A 139 139 ARG CA C 161 54.904 54.580 0.324 1
1 659 . 1 1 1 A 139 139 ARG CB C 161 33.663 33.873 -0.210 1
1 660 . 1 1 1 A 139 139 ARG N N 161 121.828 123.209 -1.381 1
1 661 . 1 1 1 A 140 140 LEU H H 162 7.782 8.874 -1.092 1
1 662 . 1 1 1 A 140 140 LEU C C 162 174.210 175.534 -1.324 1
1 663 . 1 1 1 A 140 140 LEU CA C 162 53.524 53.395 0.129 1
1 664 . 1 1 1 A 140 140 LEU CB C 162 45.925 45.527 0.398 1
1 665 . 1 1 1 A 140 140 LEU N N 162 121.586 123.755 -2.169 1
1 666 . 1 1 1 A 141 141 ASP H H 163 10.215 8.950 1.265 1
1 667 . 1 1 1 A 141 141 ASP C C 163 175.234 175.783 -0.549 1
1 668 . 1 1 1 A 141 141 ASP CA C 163 55.899 54.640 1.259 1
1 669 . 1 1 1 A 141 141 ASP CB C 163 45.525 43.344 2.181 1
1 670 . 1 1 1 A 141 141 ASP N N 163 125.953 124.675 1.278 1
1 671 . 1 1 1 A 142 142 ARG H H 164 9.468 7.689 1.779 1
1 672 . 1 1 1 A 142 142 ARG C C 164 172.009 175.055 -3.046 1
1 673 . 1 1 1 A 142 142 ARG CA C 164 54.902 54.148 0.754 1
1 674 . 1 1 1 A 142 142 ARG CB C 164 35.057 33.896 1.161 1
1 675 . 1 1 1 A 142 142 ARG N N 164 126.215 117.031 9.184 1
1 676 . 1 1 1 A 143 143 ILE H H 165 7.233 8.279 -1.046 1
1 677 . 1 1 1 A 143 143 ILE C C 165 177.903 175.889 2.014 1
1 678 . 1 1 1 A 143 143 ILE CA C 165 59.469 58.778 0.691 1
1 679 . 1 1 1 A 143 143 ILE CB C 165 37.985 40.024 -2.039 1
1 680 . 1 1 1 A 143 143 ILE N N 165 105.992 118.104 -12.112 1
1 681 . 1 1 1 A 144 144 GLU H H 166 9.004 8.663 0.341 1
1 682 . 1 1 1 A 144 144 GLU C C 166 178.300 176.518 1.782 1
1 683 . 1 1 1 A 144 144 GLU CA C 166 55.510 54.703 0.807 1
1 684 . 1 1 1 A 144 144 GLU CB C 166 28.840 29.388 -0.548 1
1 685 . 1 1 1 A 144 144 GLU N N 166 117.216 121.881 -4.665 1
1 686 . 1 1 1 A 145 145 PRO C C 167 177.540 177.057 0.483 1
1 687 . 1 1 1 A 145 145 PRO CA C 167 63.818 63.841 -0.023 1
1 688 . 1 1 1 A 145 145 PRO CB C 167 32.607 32.959 -0.352 1
1 689 . 1 1 1 A 146 146 ASP H H 168 8.143 8.497 -0.354 1
1 690 . 1 1 1 A 146 146 ASP C C 168 176.478 178.483 -2.005 1
1 691 . 1 1 1 A 146 146 ASP CA C 168 57.431 56.938 0.493 1
1 692 . 1 1 1 A 146 146 ASP CB C 168 40.890 40.481 0.409 1
1 693 . 1 1 1 A 146 146 ASP N N 168 128.085 119.306 8.779 1
1 694 . 1 1 1 A 147 147 LEU H H 169 7.442 7.825 -0.383 1
1 695 . 1 1 1 A 147 147 LEU C C 169 176.971 177.464 -0.493 1
1 696 . 1 1 1 A 147 147 LEU CA C 169 57.214 57.278 -0.064 1
1 697 . 1 1 1 A 147 147 LEU CB C 169 40.766 41.245 -0.479 1
1 698 . 1 1 1 A 147 147 LEU N N 169 113.107 115.677 -2.570 1
1 699 . 1 1 1 A 148 148 ASN H H 170 7.561 8.119 -0.558 1
1 700 . 1 1 1 A 148 148 ASN C C 170 174.076 175.955 -1.879 1
1 701 . 1 1 1 A 148 148 ASN CA C 170 54.529 53.671 0.858 1
1 702 . 1 1 1 A 148 148 ASN CB C 170 40.463 39.303 1.160 1
1 703 . 1 1 1 A 148 148 ASN N N 170 119.085 117.690 1.395 1
1 704 . 1 1 1 A 149 149 GLU H H 171 7.224 7.967 -0.743 1
1 705 . 1 1 1 A 149 149 GLU C C 171 177.940 176.861 1.079 1
1 706 . 1 1 1 A 149 149 GLU CA C 171 60.826 59.298 1.528 1
1 707 . 1 1 1 A 149 149 GLU CB C 171 30.302 29.233 1.069 1
1 708 . 1 1 1 A 149 149 GLU N N 171 121.300 120.357 0.943 1
1 709 . 1 1 1 A 150 150 GLY H H 172 9.713 8.138 1.575 1
1 710 . 1 1 1 A 150 150 GLY C C 172 174.714 174.850 -0.136 1
1 711 . 1 1 1 A 150 150 GLY CA C 172 46.396 46.692 -0.296 1
1 712 . 1 1 1 A 150 150 GLY N N 172 105.153 107.961 -2.808 1
1 713 . 1 1 1 A 151 151 LYS H H 173 8.136 7.725 0.411 1
1 714 . 1 1 1 A 151 151 LYS C C 173 177.473 175.800 1.673 1
1 715 . 1 1 1 A 151 151 LYS CA C 173 57.688 55.716 1.972 1
1 716 . 1 1 1 A 151 151 LYS CB C 173 33.172 33.203 -0.031 1
1 717 . 1 1 1 A 151 151 LYS N N 173 118.745 118.961 -0.216 1
1 718 . 1 1 1 A 152 152 LEU H H 174 8.152 8.603 -0.451 1
1 719 . 1 1 1 A 152 152 LEU C C 174 177.926 177.657 0.269 1
1 720 . 1 1 1 A 152 152 LEU CA C 174 56.901 56.331 0.570 1
1 721 . 1 1 1 A 152 152 LEU CB C 174 41.440 41.561 -0.121 1
1 722 . 1 1 1 A 152 152 LEU N N 174 128.193 124.568 3.625 1
1 723 . 1 1 1 A 153 153 GLY H H 175 8.992 8.901 0.091 1
1 724 . 1 1 1 A 153 153 GLY C C 175 172.817 173.758 -0.941 1
1 725 . 1 1 1 A 153 153 GLY CA C 175 45.201 45.080 0.121 1
1 726 . 1 1 1 A 153 153 GLY N N 175 115.497 115.251 0.246 1
1 727 . 1 1 1 A 154 154 ASP H H 176 7.284 7.921 -0.637 1
1 728 . 1 1 1 A 154 154 ASP C C 176 177.233 177.187 0.046 1
1 729 . 1 1 1 A 154 154 ASP CA C 176 52.935 54.357 -1.422 1
1 730 . 1 1 1 A 154 154 ASP CB C 176 42.020 41.445 0.575 1
1 731 . 1 1 1 A 154 154 ASP N N 176 120.788 120.591 0.197 1
1 732 . 1 1 1 A 155 155 LEU H H 177 8.745 8.759 -0.014 1
1 733 . 1 1 1 A 155 155 LEU C C 177 178.347 177.341 1.006 1
1 734 . 1 1 1 A 155 155 LEU CA C 177 55.591 55.360 0.231 1
1 735 . 1 1 1 A 155 155 LEU CB C 177 42.902 42.052 0.850 1
1 736 . 1 1 1 A 155 155 LEU N N 177 128.081 127.843 0.238 1
1 737 . 1 1 1 A 156 156 ARG H H 178 7.991 7.474 0.517 1
1 738 . 1 1 1 A 156 156 ARG C C 178 177.178 176.119 1.059 1
1 739 . 1 1 1 A 156 156 ARG CA C 178 57.039 56.446 0.593 1
1 740 . 1 1 1 A 156 156 ARG CB C 178 30.576 30.662 -0.086 1
1 741 . 1 1 1 A 156 156 ARG N N 178 119.786 119.693 0.093 1
1 742 . 1 1 1 A 157 157 ASP H H 179 9.086 9.023 0.063 1
1 743 . 1 1 1 A 157 157 ASP C C 179 178.240 174.741 3.499 1
1 744 . 1 1 1 A 157 157 ASP CA C 179 55.503 55.217 0.286 1
1 745 . 1 1 1 A 157 157 ASP CB C 179 42.778 39.652 3.126 1
1 746 . 1 1 1 A 157 157 ASP N N 179 115.823 119.321 -3.498 1
1 747 . 1 1 1 A 158 158 THR H H 180 7.350 7.554 -0.204 1
1 748 . 1 1 1 A 158 158 THR C C 180 173.184 172.871 0.313 1
1 749 . 1 1 1 A 158 158 THR CA C 180 59.794 59.662 0.132 1
1 750 . 1 1 1 A 158 158 THR CB C 180 75.184 72.071 3.113 1
1 751 . 1 1 1 A 158 158 THR N N 180 105.847 107.974 -2.127 1
1 752 . 1 1 1 A 159 159 THR H H 181 8.486 8.761 -0.275 1
1 753 . 1 1 1 A 159 159 THR C C 181 173.029 172.473 0.556 1
1 754 . 1 1 1 A 159 159 THR CA C 181 59.660 60.122 -0.462 1
1 755 . 1 1 1 A 159 159 THR CB C 181 69.113 69.995 -0.882 1
1 756 . 1 1 1 A 159 159 THR N N 181 112.981 115.811 -2.830 1
1 757 . 1 1 1 A 160 160 THR H H 182 8.668 8.443 0.225 1
1 758 . 1 1 1 A 160 160 THR C C 182 174.388 174.808 -0.420 1
1 759 . 1 1 1 A 160 160 THR CA C 182 57.576 58.239 -0.663 1
1 760 . 1 1 1 A 160 160 THR N N 182 111.553 115.033 -3.480 1
1 761 . 1 1 1 A 161 161 PRO C C 183 179.026 179.062 -0.036 1
1 762 . 1 1 1 A 161 161 PRO CA C 183 65.608 65.671 -0.063 1
1 763 . 1 1 1 A 161 161 PRO CB C 183 31.640 31.630 0.010 1
1 764 . 1 1 1 A 162 162 LYS H H 184 8.324 8.249 0.075 1
1 765 . 1 1 1 A 162 162 LYS C C 184 178.493 179.329 -0.836 1
1 766 . 1 1 1 A 162 162 LYS CA C 184 59.522 59.627 -0.105 1
1 767 . 1 1 1 A 162 162 LYS CB C 184 33.334 32.125 1.209 1
1 768 . 1 1 1 A 162 162 LYS N N 184 116.742 117.697 -0.955 1
1 769 . 1 1 1 A 163 163 ALA H H 185 8.318 8.049 0.269 1
1 770 . 1 1 1 A 163 163 ALA C C 185 180.478 179.707 0.771 1
1 771 . 1 1 1 A 163 163 ALA CA C 185 55.317 55.035 0.282 1
1 772 . 1 1 1 A 163 163 ALA CB C 185 18.460 18.567 -0.107 1
1 773 . 1 1 1 A 163 163 ALA N N 185 124.463 121.858 2.605 1
1 774 . 1 1 1 A 164 164 ILE H H 186 8.226 8.017 0.209 1
1 775 . 1 1 1 A 164 164 ILE C C 186 176.939 178.008 -1.069 1
1 776 . 1 1 1 A 164 164 ILE CA C 186 61.725 63.684 -1.959 1
1 777 . 1 1 1 A 164 164 ILE CB C 186 36.961 37.410 -0.449 1
1 778 . 1 1 1 A 164 164 ILE N N 186 116.107 118.722 -2.615 1
1 779 . 1 1 1 A 165 165 ALA H H 187 7.148 8.575 -1.427 1
1 780 . 1 1 1 A 165 165 ALA C C 187 178.966 179.346 -0.380 1
1 781 . 1 1 1 A 165 165 ALA CA C 187 55.649 55.421 0.228 1
1 782 . 1 1 1 A 165 165 ALA CB C 187 18.102 17.997 0.105 1
1 783 . 1 1 1 A 165 165 ALA N N 187 124.608 124.472 0.136 1
1 784 . 1 1 1 A 166 166 SER H H 188 7.539 7.951 -0.412 1
1 785 . 1 1 1 A 166 166 SER C C 188 177.499 177.424 0.075 1
1 786 . 1 1 1 A 166 166 SER CA C 188 61.204 61.454 -0.250 1
1 787 . 1 1 1 A 166 166 SER CB C 188 62.837 62.962 -0.125 1
1 788 . 1 1 1 A 166 166 SER N N 188 111.408 113.307 -1.899 1
1 789 . 1 1 1 A 167 167 THR H H 189 8.766 7.857 0.909 1
1 790 . 1 1 1 A 167 167 THR C C 189 174.560 176.067 -1.507 1
1 791 . 1 1 1 A 167 167 THR CA C 189 67.142 66.640 0.502 1
1 792 . 1 1 1 A 167 167 THR N N 189 123.195 117.778 5.417 1
1 793 . 1 1 1 A 168 168 LEU H H 190 8.610 8.280 0.330 1
1 794 . 1 1 1 A 168 168 LEU C C 190 178.646 178.249 0.397 1
1 795 . 1 1 1 A 168 168 LEU CA C 190 58.834 58.223 0.611 1
1 796 . 1 1 1 A 168 168 LEU CB C 190 41.412 41.587 -0.175 1
1 797 . 1 1 1 A 168 168 LEU N N 190 120.808 121.271 -0.463 1
1 798 . 1 1 1 A 169 169 ASN H H 191 7.862 8.339 -0.477 1
1 799 . 1 1 1 A 169 169 ASN C C 191 177.317 178.015 -0.698 1
1 800 . 1 1 1 A 169 169 ASN CA C 191 56.991 57.086 -0.095 1
1 801 . 1 1 1 A 169 169 ASN CB C 191 39.239 39.738 -0.499 1
1 802 . 1 1 1 A 169 169 ASN N N 191 116.161 117.604 -1.443 1
1 803 . 1 1 1 A 170 170 LYS H H 192 7.812 7.763 0.049 1
1 804 . 1 1 1 A 170 170 LYS C C 192 179.058 179.560 -0.502 1
1 805 . 1 1 1 A 170 170 LYS CA C 192 60.053 59.015 1.038 1
1 806 . 1 1 1 A 170 170 LYS CB C 192 32.037 32.121 -0.084 1
1 807 . 1 1 1 A 170 170 LYS N N 192 118.839 118.224 0.615 1
1 808 . 1 1 1 A 171 171 PHE H H 193 7.811 8.127 -0.316 1
1 809 . 1 1 1 A 171 171 PHE C C 193 176.771 178.302 -1.531 1
1 810 . 1 1 1 A 171 171 PHE CA C 193 57.793 60.406 -2.613 1
1 811 . 1 1 1 A 171 171 PHE CB C 193 38.837 38.954 -0.117 1
1 812 . 1 1 1 A 171 171 PHE N N 193 114.256 119.303 -5.047 1
1 813 . 1 1 1 A 172 172 LEU H H 194 8.057 8.111 -0.054 1
1 814 . 1 1 1 A 172 172 LEU C C 194 176.611 178.006 -1.395 1
1 815 . 1 1 1 A 172 172 LEU CA C 194 56.795 56.851 -0.056 1
1 816 . 1 1 1 A 172 172 LEU CB C 194 42.737 41.955 0.782 1
1 817 . 1 1 1 A 172 172 LEU N N 194 115.409 118.595 -3.186 1
1 818 . 1 1 1 A 173 173 PHE H H 195 7.814 7.913 -0.099 1
1 819 . 1 1 1 A 173 173 PHE C C 195 176.975 175.842 1.133 1
1 820 . 1 1 1 A 173 173 PHE CA C 195 56.593 58.214 -1.621 1
1 821 . 1 1 1 A 173 173 PHE CB C 195 40.494 40.390 0.104 1
1 822 . 1 1 1 A 173 173 PHE N N 195 112.606 113.886 -1.280 1
1 823 . 1 1 1 A 174 174 GLY H H 196 7.438 7.861 -0.423 1
1 824 . 1 1 1 A 174 174 GLY C C 196 174.202 174.693 -0.491 1
1 825 . 1 1 1 A 174 174 GLY CA C 196 45.352 44.450 0.902 1
1 826 . 1 1 1 A 174 174 GLY N N 196 110.207 107.803 2.404 1
1 827 . 1 1 1 A 175 175 SER H H 197 8.681 8.387 0.294 1
1 828 . 1 1 1 A 175 175 SER C C 197 175.242 175.651 -0.409 1
1 829 . 1 1 1 A 175 175 SER CA C 197 58.020 57.541 0.479 1
1 830 . 1 1 1 A 175 175 SER CB C 197 64.048 63.340 0.708 1
1 831 . 1 1 1 A 175 175 SER N N 197 113.921 113.522 0.399 1
1 832 . 1 1 1 A 176 176 ALA H H 198 7.456 8.178 -0.722 1
1 833 . 1 1 1 A 176 176 ALA C C 198 176.187 177.653 -1.466 1
1 834 . 1 1 1 A 176 176 ALA CA C 198 55.289 55.001 0.288 1
1 835 . 1 1 1 A 176 176 ALA CB C 198 19.233 19.069 0.164 1
1 836 . 1 1 1 A 176 176 ALA N N 198 122.767 124.392 -1.625 1
1 837 . 1 1 1 A 177 177 LEU H H 199 7.993 7.801 0.192 1
1 838 . 1 1 1 A 177 177 LEU C C 199 176.143 176.791 -0.648 1
1 839 . 1 1 1 A 177 177 LEU CA C 199 52.246 53.028 -0.782 1
1 840 . 1 1 1 A 177 177 LEU CB C 199 46.917 44.210 2.707 1
1 841 . 1 1 1 A 177 177 LEU N N 199 113.538 118.059 -4.521 1
1 842 . 1 1 1 A 178 178 SER H H 200 10.428 8.561 1.867 1
1 843 . 1 1 1 A 178 178 SER C C 200 175.215 175.855 -0.640 1
1 844 . 1 1 1 A 178 178 SER CA C 200 57.869 56.995 0.874 1
1 845 . 1 1 1 A 178 178 SER CB C 200 64.769 65.368 -0.599 1
1 846 . 1 1 1 A 178 178 SER N N 200 118.533 116.325 2.208 1
1 847 . 1 1 1 A 179 179 GLU H H 201 8.853 9.158 -0.305 1
1 848 . 1 1 1 A 179 179 GLU C C 201 178.894 178.594 0.300 1
1 849 . 1 1 1 A 179 179 GLU CA C 201 60.039 59.627 0.412 1
1 850 . 1 1 1 A 179 179 GLU CB C 201 29.367 29.271 0.096 1
1 851 . 1 1 1 A 179 179 GLU N N 201 122.566 120.690 1.876 1
1 852 . 1 1 1 A 180 180 MET H H 202 8.389 8.147 0.242 1
1 853 . 1 1 1 A 180 180 MET C C 202 178.992 178.654 0.338 1
1 854 . 1 1 1 A 180 180 MET CA C 202 58.637 59.121 -0.484 1
1 855 . 1 1 1 A 180 180 MET CB C 202 32.037 32.569 -0.532 1
1 856 . 1 1 1 A 180 180 MET N N 202 115.549 119.467 -3.918 1
1 857 . 1 1 1 A 181 181 ASN H H 203 7.502 7.992 -0.490 1
1 858 . 1 1 1 A 181 181 ASN C C 203 177.236 178.621 -1.385 1
1 859 . 1 1 1 A 181 181 ASN CA C 203 54.592 55.770 -1.178 1
1 860 . 1 1 1 A 181 181 ASN CB C 203 38.597 37.794 0.803 1
1 861 . 1 1 1 A 181 181 ASN N N 203 119.515 117.455 2.060 1
1 862 . 1 1 1 A 182 182 GLN H H 204 8.895 8.086 0.809 1
1 863 . 1 1 1 A 182 182 GLN C C 204 178.577 178.660 -0.083 1
1 864 . 1 1 1 A 182 182 GLN CA C 204 60.033 58.804 1.229 1
1 865 . 1 1 1 A 182 182 GLN CB C 204 27.617 28.146 -0.529 1
1 866 . 1 1 1 A 182 182 GLN N N 204 123.825 120.648 3.177 1
1 867 . 1 1 1 A 183 183 LYS H H 205 7.621 7.905 -0.284 1
1 868 . 1 1 1 A 183 183 LYS C C 205 179.565 177.687 1.878 1
1 869 . 1 1 1 A 183 183 LYS CA C 205 57.940 59.226 -1.286 1
1 870 . 1 1 1 A 183 183 LYS CB C 205 31.508 31.932 -0.424 1
1 872 . 1 1 1 A 183 183 LYS N N 205 115.890 120.707 -4.817 1
1 873 . 1 1 1 A 184 184 LYS H H 206 7.476 7.755 -0.279 1
1 874 . 1 1 1 A 184 184 LYS C C 206 177.551 178.407 -0.856 1
1 875 . 1 1 1 A 184 184 LYS CA C 206 59.175 59.185 -0.010 1
1 876 . 1 1 1 A 184 184 LYS CB C 206 31.971 31.837 0.134 1
1 878 . 1 1 1 A 184 184 LYS N N 206 123.051 119.060 3.991 1
1 879 . 1 1 1 A 185 185 LEU H H 207 7.893 8.125 -0.232 1
1 880 . 1 1 1 A 185 185 LEU C C 207 178.259 178.407 -0.148 1
1 881 . 1 1 1 A 185 185 LEU CA C 207 57.875 57.914 -0.039 1
1 882 . 1 1 1 A 185 185 LEU CB C 207 41.736 41.686 0.050 1
1 883 . 1 1 1 A 185 185 LEU N N 207 120.463 120.638 -0.175 1
1 884 . 1 1 1 A 186 186 GLU H H 208 8.272 8.580 -0.308 1
1 885 . 1 1 1 A 186 186 GLU C C 208 178.448 178.454 -0.006 1
1 886 . 1 1 1 A 186 186 GLU CA C 208 60.244 59.960 0.284 1
1 887 . 1 1 1 A 186 186 GLU CB C 208 30.412 29.482 0.930 1
1 888 . 1 1 1 A 186 186 GLU N N 208 116.970 119.957 -2.987 1
1 889 . 1 1 1 A 187 187 SER H H 209 8.224 7.929 0.295 1
1 890 . 1 1 1 A 187 187 SER C C 209 177.622 177.360 0.262 1
1 891 . 1 1 1 A 187 187 SER CA C 209 61.981 61.302 0.679 1
1 892 . 1 1 1 A 187 187 SER N N 209 114.783 113.371 1.412 1
1 893 . 1 1 1 A 188 188 TRP H H 210 7.913 7.938 -0.025 1
1 894 . 1 1 1 A 188 188 TRP C C 210 176.308 179.173 -2.865 1
1 895 . 1 1 1 A 188 188 TRP CA C 210 58.389 59.657 -1.268 1
1 896 . 1 1 1 A 188 188 TRP CB C 210 28.799 29.424 -0.625 1
1 897 . 1 1 1 A 188 188 TRP N N 210 123.167 121.808 1.359 1
1 898 . 1 1 1 A 189 189 MET H H 211 7.524 8.275 -0.751 1
1 899 . 1 1 1 A 189 189 MET C C 211 180.738 178.657 2.081 1
1 900 . 1 1 1 A 189 189 MET CA C 211 58.592 58.678 -0.086 1
1 901 . 1 1 1 A 189 189 MET CB C 211 36.316 32.500 3.816 1
1 902 . 1 1 1 A 189 189 MET N N 211 113.620 118.448 -4.828 1
1 903 . 1 1 1 A 190 190 VAL H H 212 9.404 8.072 1.332 1
1 904 . 1 1 1 A 190 190 VAL C C 212 178.741 176.850 1.891 1
1 905 . 1 1 1 A 190 190 VAL CA C 212 66.367 66.604 -0.237 1
1 906 . 1 1 1 A 190 190 VAL CB C 212 32.860 31.596 1.264 1
1 907 . 1 1 1 A 190 190 VAL N N 212 124.657 119.929 4.728 1
1 908 . 1 1 1 A 191 191 ASN H H 213 7.929 7.699 0.230 1
1 909 . 1 1 1 A 191 191 ASN C C 213 173.259 174.723 -1.464 1
1 910 . 1 1 1 A 191 191 ASN CA C 213 54.208 53.005 1.203 1
1 911 . 1 1 1 A 191 191 ASN CB C 213 38.680 38.865 -0.185 1
1 912 . 1 1 1 A 191 191 ASN N N 213 115.803 116.133 -0.330 1
1 913 . 1 1 1 A 192 192 ASN H H 214 6.903 7.616 -0.713 1
1 914 . 1 1 1 A 192 192 ASN C C 214 177.400 175.366 2.034 1
1 915 . 1 1 1 A 192 192 ASN CA C 214 55.379 53.878 1.501 1
1 916 . 1 1 1 A 192 192 ASN CB C 214 39.277 39.414 -0.137 1
1 917 . 1 1 1 A 192 192 ASN N N 214 118.351 120.473 -2.122 1
1 918 . 1 1 1 A 193 193 GLN H H 215 9.440 9.004 0.436 1
1 919 . 1 1 1 A 193 193 GLN C C 215 178.982 176.576 2.406 1
1 920 . 1 1 1 A 193 193 GLN CA C 215 56.283 56.033 0.250 1
1 921 . 1 1 1 A 193 193 GLN CB C 215 30.792 29.611 1.181 1
1 922 . 1 1 1 A 193 193 GLN N N 215 125.944 125.269 0.675 1
1 923 . 1 1 1 A 194 194 VAL H H 216 8.339 7.352 0.987 1
1 924 . 1 1 1 A 194 194 VAL C C 216 176.607 176.515 0.092 1
1 925 . 1 1 1 A 194 194 VAL CA C 216 61.677 60.549 1.128 1
1 926 . 1 1 1 A 194 194 VAL CB C 216 31.995 31.410 0.585 1
1 927 . 1 1 1 A 194 194 VAL N N 216 112.368 110.395 1.973 1
1 928 . 1 1 1 A 195 195 THR H H 217 8.004 7.636 0.368 1
1 929 . 1 1 1 A 195 195 THR C C 217 177.411 175.829 1.582 1
1 930 . 1 1 1 A 195 195 THR CA C 217 60.656 60.792 -0.136 1
1 931 . 1 1 1 A 195 195 THR CB C 217 67.881 69.014 -1.133 1
1 932 . 1 1 1 A 195 195 THR N N 217 109.253 113.057 -3.804 1
1 933 . 1 1 1 A 196 196 GLY H H 218 9.141 8.527 0.614 1
1 934 . 1 1 1 A 196 196 GLY C C 218 172.784 174.855 -2.071 1
1 935 . 1 1 1 A 196 196 GLY CA C 218 47.801 47.131 0.670 1
1 936 . 1 1 1 A 196 196 GLY N N 218 116.141 111.115 5.026 1
1 937 . 1 1 1 A 197 197 ASN H H 219 8.127 8.220 -0.093 1
1 938 . 1 1 1 A 197 197 ASN C C 219 174.642 174.915 -0.273 1
1 939 . 1 1 1 A 197 197 ASN CA C 219 52.473 52.661 -0.188 1
1 940 . 1 1 1 A 197 197 ASN CB C 219 37.022 37.340 -0.318 1
1 941 . 1 1 1 A 197 197 ASN N N 219 113.177 116.230 -3.053 1
1 942 . 1 1 1 A 198 198 LEU H H 220 7.214 7.491 -0.277 1
1 943 . 1 1 1 A 198 198 LEU C C 220 177.449 177.458 -0.009 1
1 944 . 1 1 1 A 198 198 LEU CA C 220 52.055 53.800 -1.745 1
1 945 . 1 1 1 A 198 198 LEU CB C 220 40.720 43.509 -2.789 1
1 946 . 1 1 1 A 198 198 LEU N N 220 116.180 119.977 -3.797 1
1 947 . 1 1 1 A 199 199 LEU H H 221 7.099 8.547 -1.448 1
1 948 . 1 1 1 A 199 199 LEU C C 221 178.274 179.449 -1.175 1
1 949 . 1 1 1 A 199 199 LEU CA C 221 58.047 57.968 0.079 1
1 950 . 1 1 1 A 199 199 LEU CB C 221 41.608 41.791 -0.183 1
1 951 . 1 1 1 A 199 199 LEU N N 221 126.064 122.763 3.301 1
1 952 . 1 1 1 A 200 200 ARG H H 222 8.824 8.401 0.423 1
1 953 . 1 1 1 A 200 200 ARG C C 222 176.891 178.686 -1.795 1
1 954 . 1 1 1 A 200 200 ARG CA C 222 60.161 59.787 0.374 1
1 955 . 1 1 1 A 200 200 ARG CB C 222 30.166 30.046 0.120 1
1 956 . 1 1 1 A 200 200 ARG N N 222 116.526 119.683 -3.157 1
1 957 . 1 1 1 A 201 201 SER H H 223 7.468 8.080 -0.612 1
1 958 . 1 1 1 A 201 201 SER C C 223 174.764 175.161 -0.397 1
1 959 . 1 1 1 A 201 201 SER CA C 223 61.188 60.781 0.407 1
1 960 . 1 1 1 A 201 201 SER CB C 223 63.997 63.029 0.968 1
1 961 . 1 1 1 A 201 201 SER N N 223 112.785 116.193 -3.408 1
1 962 . 1 1 1 A 202 202 VAL H H 224 7.212 7.244 -0.032 1
1 963 . 1 1 1 A 202 202 VAL C C 224 173.681 175.728 -2.047 1
1 964 . 1 1 1 A 202 202 VAL CA C 224 59.718 60.393 -0.675 1
1 965 . 1 1 1 A 202 202 VAL CB C 224 32.103 32.009 0.094 1
1 966 . 1 1 1 A 202 202 VAL N N 224 112.658 113.023 -0.365 1
1 967 . 1 1 1 A 203 203 LEU H H 225 6.642 7.358 -0.716 1
1 968 . 1 1 1 A 203 203 LEU C C 225 174.609 175.598 -0.989 1
1 969 . 1 1 1 A 203 203 LEU CA C 225 52.847 53.065 -0.218 1
1 970 . 1 1 1 A 203 203 LEU CB C 225 43.995 42.851 1.144 1
1 971 . 1 1 1 A 203 203 LEU N N 225 125.608 125.588 0.020 1
1 972 . 1 1 1 A 204 204 PRO C C 226 175.613 176.778 -1.165 1
1 973 . 1 1 1 A 204 204 PRO CA C 226 62.295 62.411 -0.116 1
1 974 . 1 1 1 A 204 204 PRO CB C 226 30.650 31.151 -0.501 1
1 975 . 1 1 1 A 205 205 ALA H H 227 8.157 8.387 -0.230 1
1 976 . 1 1 1 A 205 205 ALA C C 227 179.259 178.214 1.045 1
1 977 . 1 1 1 A 205 205 ALA CA C 227 53.584 54.365 -0.781 1
1 978 . 1 1 1 A 205 205 ALA CB C 227 18.028 18.118 -0.090 1
1 979 . 1 1 1 A 205 205 ALA N N 227 124.379 126.926 -2.547 1
1 980 . 1 1 1 A 206 206 GLY H H 228 8.665 8.689 -0.024 1
1 981 . 1 1 1 A 206 206 GLY C C 228 174.820 174.403 0.417 1
1 982 . 1 1 1 A 206 206 GLY CA C 228 45.479 45.510 -0.031 1
1 983 . 1 1 1 A 206 206 GLY N N 228 110.763 110.051 0.712 1
1 984 . 1 1 1 A 207 207 TRP H H 229 7.946 7.817 0.129 1
1 985 . 1 1 1 A 207 207 TRP C C 229 174.331 175.760 -1.429 1
1 986 . 1 1 1 A 207 207 TRP CA C 229 57.292 57.104 0.188 1
1 987 . 1 1 1 A 207 207 TRP CB C 229 28.999 30.253 -1.254 1
1 988 . 1 1 1 A 207 207 TRP N N 229 121.639 120.886 0.753 1
1 989 . 1 1 1 A 208 208 ASN H H 230 8.766 8.738 0.028 1
1 990 . 1 1 1 A 208 208 ASN C C 230 172.176 173.938 -1.762 1
1 991 . 1 1 1 A 208 208 ASN CA C 230 51.754 51.352 0.402 1
1 992 . 1 1 1 A 208 208 ASN CB C 230 40.969 40.624 0.345 1
1 993 . 1 1 1 A 208 208 ASN N N 230 117.921 118.320 -0.399 1
1 994 . 1 1 1 A 209 209 ILE H H 231 7.972 8.612 -0.640 1
1 995 . 1 1 1 A 209 209 ILE C C 231 170.395 173.157 -2.762 1
1 996 . 1 1 1 A 209 209 ILE CA C 231 58.857 59.436 -0.579 1
1 997 . 1 1 1 A 209 209 ILE CB C 231 40.408 41.998 -1.590 1
1 998 . 1 1 1 A 209 209 ILE N N 231 114.763 121.405 -6.642 1
1 999 . 1 1 1 A 210 210 ALA H H 232 9.058 8.937 0.121 1
1 1000 . 1 1 1 A 210 210 ALA C C 232 175.974 175.619 0.355 1
1 1001 . 1 1 1 A 210 210 ALA CA C 232 50.144 50.562 -0.418 1
1 1002 . 1 1 1 A 210 210 ALA CB C 232 21.933 21.602 0.331 1
1 1003 . 1 1 1 A 210 210 ALA N N 232 129.128 130.819 -1.691 1
1 1004 . 1 1 1 A 211 211 ASP H H 233 8.289 9.190 -0.901 1
1 1005 . 1 1 1 A 211 211 ASP C C 233 174.577 174.035 0.542 1
1 1006 . 1 1 1 A 211 211 ASP CA C 233 53.754 52.962 0.792 1
1 1007 . 1 1 1 A 211 211 ASP CB C 233 44.535 45.551 -1.016 1
1 1008 . 1 1 1 A 211 211 ASP N N 233 120.964 121.321 -0.357 1
1 1009 . 1 1 1 A 212 212 ARG H H 234 7.845 8.800 -0.955 1
1 1010 . 1 1 1 A 212 212 ARG C C 234 172.791 174.480 -1.689 1
1 1011 . 1 1 1 A 212 212 ARG CA C 234 57.972 55.301 2.671 1
1 1012 . 1 1 1 A 212 212 ARG CB C 234 33.964 33.939 0.025 1
1 1013 . 1 1 1 A 212 212 ARG N N 234 118.950 121.040 -2.090 1
1 1014 . 1 1 1 A 213 213 SER H H 235 8.665 8.893 -0.228 1
1 1015 . 1 1 1 A 213 213 SER C C 235 172.472 174.000 -1.528 1
1 1016 . 1 1 1 A 213 213 SER CA C 235 57.490 56.348 1.142 1
1 1017 . 1 1 1 A 213 213 SER CB C 235 67.931 65.930 2.001 1
1 1018 . 1 1 1 A 213 213 SER N N 235 124.914 119.032 5.882 1
1 1019 . 1 1 1 A 214 214 GLY H H 236 8.627 8.458 0.169 1
1 1020 . 1 1 1 A 214 214 GLY C C 236 173.000 172.280 0.720 1
1 1021 . 1 1 1 A 214 214 GLY CA C 236 45.965 45.617 0.348 1
1 1022 . 1 1 1 A 214 214 GLY N N 236 103.849 107.076 -3.227 1
1 1023 . 1 1 1 A 215 215 ALA C C 237 176.039 175.596 0.443 1
1 1024 . 1 1 1 A 215 215 ALA CA C 237 51.965 51.332 0.633 1
1 1025 . 1 1 1 A 215 215 ALA CB C 237 22.993 23.421 -0.428 1
1 1034 . 1 1 1 A 218 218 PHE H H 241 8.505 9.352 -0.847 1
1 1035 . 1 1 1 A 218 218 PHE C C 241 175.329 176.257 -0.928 1
1 1036 . 1 1 1 A 218 218 PHE CA C 241 59.392 58.848 0.544 1
1 1037 . 1 1 1 A 218 218 PHE CB C 241 36.464 36.889 -0.425 1
1 1038 . 1 1 1 A 218 218 PHE N N 241 115.393 120.780 -5.387 1
1 1039 . 1 1 1 A 219 219 GLY H H 242 8.532 8.733 -0.201 1
1 1040 . 1 1 1 A 219 219 GLY C C 242 174.611 174.533 0.078 1
1 1041 . 1 1 1 A 219 219 GLY CA C 242 45.660 45.757 -0.097 1
1 1042 . 1 1 1 A 219 219 GLY N N 242 103.081 104.861 -1.780 1
1 1043 . 1 1 1 A 220 220 ALA H H 243 7.545 8.005 -0.460 1
1 1044 . 1 1 1 A 220 220 ALA C C 243 179.200 176.864 2.336 1
1 1045 . 1 1 1 A 220 220 ALA CA C 243 53.106 52.690 0.416 1
1 1046 . 1 1 1 A 220 220 ALA CB C 243 17.332 19.695 -2.363 1
1 1047 . 1 1 1 A 220 220 ALA N N 243 123.551 123.785 -0.234 1
1 1048 . 1 1 1 A 221 221 ARG H H 244 8.572 8.494 0.078 1
1 1049 . 1 1 1 A 221 221 ARG C C 244 173.796 174.217 -0.421 1
1 1050 . 1 1 1 A 221 221 ARG CA C 244 55.217 55.373 -0.156 1
1 1051 . 1 1 1 A 221 221 ARG CB C 244 33.640 33.988 -0.348 1
1 1052 . 1 1 1 A 221 221 ARG N N 244 123.904 122.766 1.138 1
1 1053 . 1 1 1 A 222 222 SER H H 245 8.742 8.723 0.019 1
1 1054 . 1 1 1 A 222 222 SER C C 245 174.070 172.711 1.359 1
1 1055 . 1 1 1 A 222 222 SER CA C 245 56.604 57.329 -0.725 1
1 1056 . 1 1 1 A 222 222 SER CB C 245 67.315 65.756 1.559 1
1 1057 . 1 1 1 A 222 222 SER N N 245 118.211 118.103 0.108 1
1 1058 . 1 1 1 A 223 223 ILE H H 246 8.802 8.610 0.192 1
1 1059 . 1 1 1 A 223 223 ILE C C 246 171.242 173.458 -2.216 1
1 1060 . 1 1 1 A 223 223 ILE CA C 246 60.792 59.971 0.821 1
1 1061 . 1 1 1 A 223 223 ILE CB C 246 41.769 41.505 0.264 1
1 1062 . 1 1 1 A 223 223 ILE N N 246 114.648 121.147 -6.499 1
1 1063 . 1 1 1 A 224 224 THR H H 247 8.638 8.732 -0.094 1
1 1064 . 1 1 1 A 224 224 THR C C 247 174.921 173.955 0.966 1
1 1065 . 1 1 1 A 224 224 THR CA C 247 57.493 60.473 -2.980 1
1 1066 . 1 1 1 A 224 224 THR CB C 247 71.782 71.035 0.747 1
1 1067 . 1 1 1 A 224 224 THR N N 247 114.146 118.852 -4.706 1
1 1068 . 1 1 1 A 225 225 ALA H H 248 10.176 8.931 1.245 1
1 1069 . 1 1 1 A 225 225 ALA C C 248 173.474 175.421 -1.947 1
1 1070 . 1 1 1 A 225 225 ALA CA C 248 49.896 51.035 -1.139 1
1 1071 . 1 1 1 A 225 225 ALA CB C 248 24.442 24.081 0.361 1
1 1072 . 1 1 1 A 225 225 ALA N N 248 128.458 125.514 2.944 1
1 1073 . 1 1 1 A 226 226 VAL H H 249 9.563 8.472 1.091 1
1 1074 . 1 1 1 A 226 226 VAL C C 249 175.684 175.601 0.083 1
1 1075 . 1 1 1 A 226 226 VAL CA C 249 61.027 61.301 -0.274 1
1 1076 . 1 1 1 A 226 226 VAL CB C 249 33.896 34.944 -1.048 1
1 1077 . 1 1 1 A 226 226 VAL N N 249 122.214 119.735 2.479 1
1 1078 . 1 1 1 A 227 227 VAL H H 250 9.390 8.923 0.467 1
1 1079 . 1 1 1 A 227 227 VAL C C 250 174.559 174.563 -0.004 1
1 1080 . 1 1 1 A 227 227 VAL CA C 250 58.878 59.521 -0.643 1
1 1081 . 1 1 1 A 227 227 VAL CB C 250 35.358 35.233 0.125 1
1 1082 . 1 1 1 A 227 227 VAL N N 250 119.384 121.323 -1.939 1
1 1083 . 1 1 1 A 228 228 TRP H H 251 8.202 8.821 -0.619 1
1 1084 . 1 1 1 A 228 228 TRP C C 251 171.788 173.822 -2.034 1
1 1085 . 1 1 1 A 228 228 TRP CA C 251 57.205 55.362 1.843 1
1 1086 . 1 1 1 A 228 228 TRP CB C 251 31.379 31.482 -0.103 1
1 1087 . 1 1 1 A 228 228 TRP N N 251 119.863 120.862 -0.999 1
1 1098 . 1 1 1 A 231 231 HIS H H 255 7.835 7.782 0.053 1
1 1099 . 1 1 1 A 231 231 HIS C C 255 173.190 174.542 -1.352 1
1 1100 . 1 1 1 A 231 231 HIS CA C 255 54.913 55.136 -0.223 1
1 1101 . 1 1 1 A 231 231 HIS CB C 255 30.620 30.062 0.558 1
1 1102 . 1 1 1 A 231 231 HIS N N 255 112.999 113.161 -0.162 1
1 1103 . 1 1 1 A 232 232 GLN H H 256 7.305 7.430 -0.125 1
1 1104 . 1 1 1 A 232 232 GLN C C 256 173.289 174.293 -1.004 1
1 1105 . 1 1 1 A 232 232 GLN CA C 256 54.126 54.143 -0.017 1
1 1106 . 1 1 1 A 232 232 GLN CB C 256 29.845 31.414 -1.569 1
1 1107 . 1 1 1 A 232 232 GLN N N 256 122.758 120.162 2.596 1
1 1108 . 1 1 1 A 233 233 ALA H H 257 8.394 8.647 -0.253 1
1 1109 . 1 1 1 A 233 233 ALA C C 257 174.582 176.064 -1.482 1
1 1110 . 1 1 1 A 233 233 ALA CA C 257 50.968 51.051 -0.083 1
1 1111 . 1 1 1 A 233 233 ALA CB C 257 17.216 17.620 -0.404 1
1 1112 . 1 1 1 A 233 233 ALA N N 257 131.346 130.109 1.237 1
1 1113 . 1 1 1 A 234 234 PRO C C 258 176.066 175.788 0.278 1
1 1114 . 1 1 1 A 234 234 PRO CA C 258 63.637 63.275 0.362 1
1 1115 . 1 1 1 A 234 234 PRO CB C 258 31.717 31.794 -0.077 1
1 1116 . 1 1 1 A 235 235 ILE H H 259 9.396 8.526 0.870 1
1 1117 . 1 1 1 A 235 235 ILE C C 259 175.461 174.761 0.700 1
1 1118 . 1 1 1 A 235 235 ILE CA C 259 59.130 59.687 -0.557 1
1 1119 . 1 1 1 A 235 235 ILE CB C 259 40.888 41.166 -0.278 1
1 1120 . 1 1 1 A 235 235 ILE N N 259 126.221 123.838 2.383 1
1 1121 . 1 1 1 A 236 236 ILE H H 260 9.434 9.008 0.426 1
1 1122 . 1 1 1 A 236 236 ILE C C 260 175.122 175.578 -0.456 1
1 1123 . 1 1 1 A 236 236 ILE CA C 260 60.809 59.861 0.948 1
1 1124 . 1 1 1 A 236 236 ILE CB C 260 39.320 39.328 -0.008 1
1 1125 . 1 1 1 A 236 236 ILE N N 260 125.637 127.916 -2.279 1
1 1126 . 1 1 1 A 237 237 VAL H H 261 9.818 8.795 1.023 1
1 1127 . 1 1 1 A 237 237 VAL C C 261 174.375 174.624 -0.249 1
1 1128 . 1 1 1 A 237 237 VAL CA C 261 60.892 60.836 0.056 1
1 1129 . 1 1 1 A 237 237 VAL CB C 261 35.374 34.670 0.704 1
1 1130 . 1 1 1 A 237 237 VAL N N 261 127.475 128.462 -0.987 1
1 1131 . 1 1 1 A 238 238 SER H H 262 9.284 9.004 0.280 1
1 1132 . 1 1 1 A 238 238 SER C C 262 172.891 173.417 -0.526 1
1 1133 . 1 1 1 A 238 238 SER CA C 262 56.948 56.749 0.199 1
1 1134 . 1 1 1 A 238 238 SER CB C 262 65.725 65.132 0.593 1
1 1135 . 1 1 1 A 238 238 SER N N 262 123.270 122.782 0.488 1
1 1136 . 1 1 1 A 239 239 ILE H H 263 8.785 8.886 -0.101 1
1 1137 . 1 1 1 A 239 239 ILE C C 263 172.931 174.437 -1.506 1
1 1138 . 1 1 1 A 239 239 ILE CA C 263 61.066 60.365 0.701 1
1 1139 . 1 1 1 A 239 239 ILE CB C 263 41.821 40.764 1.057 1
1 1140 . 1 1 1 A 239 239 ILE N N 263 122.264 127.813 -5.549 1
1 1141 . 1 1 1 A 240 240 TYR H H 264 9.374 8.919 0.455 1
1 1142 . 1 1 1 A 240 240 TYR C C 264 172.458 175.000 -2.542 1
1 1143 . 1 1 1 A 240 240 TYR CA C 264 57.421 56.090 1.331 1
1 1144 . 1 1 1 A 240 240 TYR CB C 264 42.098 41.901 0.197 1
1 1145 . 1 1 1 A 240 240 TYR N N 264 125.862 125.444 0.418 1
1 1146 . 1 1 1 A 241 241 LEU H H 265 9.046 8.996 0.050 1
1 1147 . 1 1 1 A 241 241 LEU C C 265 177.099 175.324 1.775 1
1 1148 . 1 1 1 A 241 241 LEU CA C 265 54.190 53.372 0.818 1
1 1149 . 1 1 1 A 241 241 LEU CB C 265 45.595 45.697 -0.102 1
1 1150 . 1 1 1 A 241 241 LEU N N 265 119.852 123.107 -3.255 1
1 1151 . 1 1 1 A 242 242 ALA H H 266 9.455 8.594 0.861 1
1 1152 . 1 1 1 A 242 242 ALA C C 266 174.309 175.695 -1.386 1
1 1153 . 1 1 1 A 242 242 ALA CA C 266 52.093 51.080 1.013 1
1 1154 . 1 1 1 A 242 242 ALA CB C 266 23.741 23.298 0.443 1
1 1155 . 1 1 1 A 242 242 ALA N N 266 123.755 123.530 0.225 1
1 1156 . 1 1 1 A 243 243 GLN H H 267 8.746 8.619 0.127 1
1 1157 . 1 1 1 A 243 243 GLN C C 267 173.549 174.438 -0.889 1
1 1158 . 1 1 1 A 243 243 GLN CA C 267 56.611 56.928 -0.317 1
1 1159 . 1 1 1 A 243 243 GLN CB C 267 25.689 27.003 -1.314 1
1 1160 . 1 1 1 A 243 243 GLN N N 267 117.726 115.059 2.667 1
1 1161 . 1 1 1 A 244 244 THR H H 268 8.257 7.878 0.379 1
1 1162 . 1 1 1 A 244 244 THR C C 268 173.634 172.970 0.664 1
1 1163 . 1 1 1 A 244 244 THR CA C 268 59.287 60.387 -1.100 1
1 1164 . 1 1 1 A 244 244 THR CB C 268 69.252 71.039 -1.787 1
1 1165 . 1 1 1 A 244 244 THR N N 268 111.535 113.211 -1.676 1
1 1166 . 1 1 1 A 245 245 GLN H H 269 8.988 8.781 0.207 1
1 1167 . 1 1 1 A 245 245 GLN C C 269 175.478 176.154 -0.676 1
1 1168 . 1 1 1 A 245 245 GLN CA C 269 55.727 56.139 -0.412 1
1 1169 . 1 1 1 A 245 245 GLN CB C 269 28.976 29.377 -0.401 1
1 1170 . 1 1 1 A 245 245 GLN N N 269 127.498 123.564 3.934 1
1 1171 . 1 1 1 A 246 246 ALA H H 270 8.305 7.445 0.860 1
1 1172 . 1 1 1 A 246 246 ALA C C 270 177.795 177.449 0.346 1
1 1173 . 1 1 1 A 246 246 ALA CA C 270 52.752 52.712 0.040 1
1 1174 . 1 1 1 A 246 246 ALA CB C 270 20.895 19.204 1.691 1
1 1175 . 1 1 1 A 246 246 ALA N N 270 124.314 124.198 0.116 1
1 1176 . 1 1 1 A 247 247 SER H H 271 9.005 8.692 0.313 1
1 1177 . 1 1 1 A 247 247 SER C C 271 175.405 175.266 0.139 1
1 1178 . 1 1 1 A 247 247 SER CA C 271 58.097 57.454 0.643 1
1 1179 . 1 1 1 A 247 247 SER CB C 271 65.170 65.341 -0.171 1
1 1180 . 1 1 1 A 247 247 SER N N 271 119.595 114.353 5.242 1
1 1181 . 1 1 1 A 248 248 MET H H 272 9.210 8.740 0.470 1
1 1182 . 1 1 1 A 248 248 MET C C 272 177.558 177.886 -0.328 1
1 1183 . 1 1 1 A 248 248 MET CA C 272 58.047 58.300 -0.253 1
1 1184 . 1 1 1 A 248 248 MET CB C 272 30.708 31.905 -1.197 1
1 1185 . 1 1 1 A 248 248 MET N N 272 122.412 121.040 1.372 1
1 1186 . 1 1 1 A 249 249 GLU H H 273 8.895 8.298 0.597 1
1 1187 . 1 1 1 A 249 249 GLU C C 273 179.057 179.155 -0.098 1
1 1188 . 1 1 1 A 249 249 GLU CA C 273 60.893 59.342 1.551 1
1 1189 . 1 1 1 A 249 249 GLU CB C 273 28.773 29.069 -0.296 1
1 1190 . 1 1 1 A 249 249 GLU N N 273 117.975 120.515 -2.540 1
1 1191 . 1 1 1 A 250 250 GLU H H 274 7.723 8.187 -0.464 1
1 1192 . 1 1 1 A 250 250 GLU C C 274 180.262 179.199 1.063 1
1 1193 . 1 1 1 A 250 250 GLU CA C 274 59.250 58.764 0.486 1
1 1194 . 1 1 1 A 250 250 GLU CB C 274 30.437 29.352 1.085 1
1 1195 . 1 1 1 A 250 250 GLU N N 274 119.211 119.431 -0.220 1
1 1196 . 1 1 1 A 251 251 ARG H H 275 8.255 7.826 0.429 1
1 1197 . 1 1 1 A 251 251 ARG C C 275 177.264 178.724 -1.460 1
1 1198 . 1 1 1 A 251 251 ARG CA C 275 60.505 58.764 1.741 1
1 1199 . 1 1 1 A 251 251 ARG CB C 275 30.644 29.727 0.917 1
1 1200 . 1 1 1 A 251 251 ARG N N 275 119.753 119.286 0.467 1
1 1201 . 1 1 1 A 252 252 ASN H H 276 8.908 8.001 0.907 1
1 1202 . 1 1 1 A 252 252 ASN C C 276 177.138 177.316 -0.178 1
1 1203 . 1 1 1 A 252 252 ASN CA C 276 55.652 56.290 -0.638 1
1 1204 . 1 1 1 A 252 252 ASN CB C 276 37.005 37.982 -0.977 1
1 1205 . 1 1 1 A 252 252 ASN N N 276 119.597 118.268 1.329 1
1 1206 . 1 1 1 A 253 253 ASP H H 277 8.126 8.342 -0.216 1
1 1207 . 1 1 1 A 253 253 ASP C C 277 177.953 178.087 -0.134 1
1 1208 . 1 1 1 A 253 253 ASP CA C 277 57.059 57.989 -0.930 1
1 1209 . 1 1 1 A 253 253 ASP CB C 277 40.890 42.083 -1.193 1
1 1210 . 1 1 1 A 253 253 ASP N N 277 118.574 119.588 -1.014 1
1 1211 . 1 1 1 A 254 254 ALA H H 278 7.696 7.693 0.003 1
1 1212 . 1 1 1 A 254 254 ALA C C 278 178.867 179.961 -1.094 1
1 1213 . 1 1 1 A 254 254 ALA CA C 278 55.245 55.145 0.100 1
1 1214 . 1 1 1 A 254 254 ALA CB C 278 19.383 18.427 0.956 1
1 1215 . 1 1 1 A 254 254 ALA N N 278 121.408 121.447 -0.039 1
1 1216 . 1 1 1 A 255 255 ILE H H 279 7.437 7.851 -0.414 1
1 1217 . 1 1 1 A 255 255 ILE C C 279 177.349 178.058 -0.709 1
1 1218 . 1 1 1 A 255 255 ILE CA C 279 65.684 64.720 0.964 1
1 1219 . 1 1 1 A 255 255 ILE CB C 279 36.653 37.998 -1.345 1
1 1220 . 1 1 1 A 255 255 ILE N N 279 116.739 118.741 -2.002 1
1 1221 . 1 1 1 A 256 256 VAL H H 280 8.064 7.907 0.157 1
1 1222 . 1 1 1 A 256 256 VAL C C 280 177.364 178.009 -0.645 1
1 1223 . 1 1 1 A 256 256 VAL CA C 280 67.903 65.662 2.241 1
1 1224 . 1 1 1 A 256 256 VAL CB C 280 31.570 31.361 0.209 1
1 1225 . 1 1 1 A 256 256 VAL N N 280 119.684 117.015 2.669 1
1 1226 . 1 1 1 A 257 257 LYS H H 281 8.471 7.880 0.591 1
1 1227 . 1 1 1 A 257 257 LYS C C 281 179.840 179.392 0.448 1
1 1228 . 1 1 1 A 257 257 LYS CA C 281 59.772 59.603 0.169 1
1 1229 . 1 1 1 A 257 257 LYS CB C 281 32.462 32.240 0.222 1
1 1230 . 1 1 1 A 257 257 LYS N N 281 120.067 121.831 -1.764 1
1 1231 . 1 1 1 A 258 258 ILE H H 282 8.196 8.202 -0.006 1
1 1232 . 1 1 1 A 258 258 ILE C C 282 177.963 177.791 0.172 1
1 1233 . 1 1 1 A 258 258 ILE CA C 282 65.947 65.319 0.628 1
1 1234 . 1 1 1 A 258 258 ILE CB C 282 38.229 37.961 0.268 1
1 1235 . 1 1 1 A 258 258 ILE N N 282 119.658 120.819 -1.161 1
1 1236 . 1 1 1 A 259 259 GLY H H 283 8.738 8.009 0.729 1
1 1237 . 1 1 1 A 259 259 GLY C C 283 173.267 175.363 -2.096 1
1 1238 . 1 1 1 A 259 259 GLY CA C 283 47.183 47.103 0.080 1
1 1239 . 1 1 1 A 259 259 GLY N N 283 106.140 107.996 -1.856 1
1 1240 . 1 1 1 A 260 260 HIS H H 284 9.068 8.055 1.013 1
1 1241 . 1 1 1 A 260 260 HIS C C 284 176.922 177.265 -0.343 1
1 1242 . 1 1 1 A 260 260 HIS CA C 284 59.061 58.971 0.090 1
1 1243 . 1 1 1 A 260 260 HIS CB C 284 28.570 29.535 -0.965 1
1 1244 . 1 1 1 A 260 260 HIS N N 284 119.327 122.356 -3.029 1
1 1245 . 1 1 1 A 261 261 SER H H 285 7.990 8.137 -0.147 1
1 1246 . 1 1 1 A 261 261 SER C C 285 177.124 176.270 0.854 1
1 1247 . 1 1 1 A 261 261 SER CA C 285 62.303 61.804 0.499 1
1 1248 . 1 1 1 A 261 261 SER N N 285 115.446 114.746 0.700 1
1 1249 . 1 1 1 A 262 262 ILE H H 286 7.958 7.930 0.028 1
1 1250 . 1 1 1 A 262 262 ILE C C 286 177.941 178.451 -0.510 1
1 1251 . 1 1 1 A 262 262 ILE CA C 286 66.138 64.281 1.857 1
1 1252 . 1 1 1 A 262 262 ILE CB C 286 38.143 37.488 0.655 1
1 1253 . 1 1 1 A 262 262 ILE N N 286 121.393 121.349 0.044 1
1 1254 . 1 1 1 A 263 263 PHE H H 287 8.713 7.832 0.881 1
1 1255 . 1 1 1 A 263 263 PHE C C 287 179.121 177.934 1.187 1
1 1256 . 1 1 1 A 263 263 PHE CA C 287 59.257 60.872 -1.615 1
1 1257 . 1 1 1 A 263 263 PHE CB C 287 36.592 38.245 -1.653 1
1 1258 . 1 1 1 A 263 263 PHE N N 287 118.240 117.879 0.361 1
1 1259 . 1 1 1 A 264 264 ASP H H 288 8.344 8.003 0.341 1
1 1260 . 1 1 1 A 264 264 ASP C C 288 178.827 178.638 0.189 1
1 1261 . 1 1 1 A 264 264 ASP CA C 288 56.918 57.219 -0.301 1
1 1262 . 1 1 1 A 264 264 ASP CB C 288 40.482 40.310 0.172 1
1 1263 . 1 1 1 A 264 264 ASP N N 288 119.812 118.379 1.433 1
1 1264 . 1 1 1 A 265 265 VAL H H 289 7.495 7.859 -0.364 1
1 1265 . 1 1 1 A 265 265 VAL C C 289 177.805 176.653 1.152 1
1 1266 . 1 1 1 A 265 265 VAL CA C 289 66.040 65.636 0.404 1
1 1267 . 1 1 1 A 265 265 VAL CB C 289 30.900 31.009 -0.109 1
1 1268 . 1 1 1 A 265 265 VAL N N 289 120.163 119.610 0.553 1
1 1269 . 1 1 1 A 266 266 TYR H H 290 7.340 7.564 -0.224 1
1 1270 . 1 1 1 A 266 266 TYR C C 290 177.868 177.763 0.105 1
1 1271 . 1 1 1 A 266 266 TYR CA C 290 61.326 59.866 1.460 1
1 1272 . 1 1 1 A 266 266 TYR CB C 290 40.319 40.077 0.242 1
1 1273 . 1 1 1 A 266 266 TYR N N 290 116.202 117.519 -1.317 1
1 1274 . 1 1 1 A 267 267 THR H H 291 8.416 8.156 0.260 1
1 1275 . 1 1 1 A 267 267 THR C C 291 175.895 175.887 0.008 1
1 1276 . 1 1 1 A 267 267 THR CA C 291 62.896 64.654 -1.758 1
1 1277 . 1 1 1 A 267 267 THR CB C 291 69.634 68.860 0.774 1
1 1278 . 1 1 1 A 267 267 THR N N 291 111.102 112.699 -1.597 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 255 1.279 1
2 1 1 1 "RMS(OBS, PRED)" CA 258 0.969 1
3 1 1 1 "RMS(OBS, PRED)" CB 235 1.045 1
4 1 1 1 "RMS(OBS, PRED)" H 248 0.607 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 248 2.895 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 A 4 4 LYS H H 25 8.415 8.219 0.196 2
1 5 . 1 1 A 4 4 LYS C C 25 176.749 177.695 -0.946 2
1 6 . 1 1 A 4 4 LYS CA C 25 58.603 59.098 -0.495 2
1 7 . 1 1 A 4 4 LYS CB C 25 32.307 31.793 0.514 2
1 9 . 1 1 A 4 4 LYS N N 25 124.006 121.811 2.195 2
1 10 . 1 1 A 5 5 PHE H H 26 7.776 7.789 -0.013 2
1 11 . 1 1 A 5 5 PHE C C 26 175.354 175.776 -0.422 2
1 12 . 1 1 A 5 5 PHE CA C 26 58.666 57.334 1.332 2
1 13 . 1 1 A 5 5 PHE CB C 26 37.107 37.737 -0.630 2
1 14 . 1 1 A 5 5 PHE N N 26 115.584 116.632 -1.048 2
1 15 . 1 1 A 6 6 GLN H H 27 7.419 8.040 -0.621 2
1 16 . 1 1 A 6 6 GLN C C 27 177.743 178.437 -0.694 2
1 17 . 1 1 A 6 6 GLN CA C 27 59.860 58.788 1.072 2
1 18 . 1 1 A 6 6 GLN CB C 27 28.523 28.416 0.107 2
1 19 . 1 1 A 6 6 GLN N N 27 120.410 121.512 -1.102 2
1 20 . 1 1 A 7 7 GLN H H 28 8.470 7.813 0.657 2
1 21 . 1 1 A 7 7 GLN C C 28 177.629 178.539 -0.910 2
1 22 . 1 1 A 7 7 GLN CA C 28 58.109 58.596 -0.487 2
1 23 . 1 1 A 7 7 GLN CB C 28 28.109 27.882 0.227 2
1 24 . 1 1 A 7 7 GLN N N 28 118.695 119.293 -0.598 2
1 25 . 1 1 A 8 8 VAL H H 29 7.064 8.020 -0.956 2
1 26 . 1 1 A 8 8 VAL C C 29 177.747 177.926 -0.179 2
1 27 . 1 1 A 8 8 VAL CA C 29 65.746 66.251 -0.505 2
1 28 . 1 1 A 8 8 VAL CB C 29 30.993 31.497 -0.504 2
1 29 . 1 1 A 8 8 VAL N N 29 119.141 120.245 -1.104 2
1 30 . 1 1 A 9 9 GLU H H 30 8.009 8.246 -0.237 2
1 31 . 1 1 A 9 9 GLU C C 30 177.754 178.631 -0.877 2
1 32 . 1 1 A 9 9 GLU CA C 30 60.835 59.844 0.991 2
1 33 . 1 1 A 9 9 GLU CB C 30 30.160 29.206 0.954 2
1 34 . 1 1 A 9 9 GLU N N 30 118.533 120.019 -1.486 2
1 35 . 1 1 A 10 10 GLN H H 31 7.651 8.130 -0.479 2
1 36 . 1 1 A 10 10 GLN C C 31 178.993 178.867 0.126 2
1 37 . 1 1 A 10 10 GLN CA C 31 58.968 58.856 0.112 2
1 38 . 1 1 A 10 10 GLN CB C 31 28.371 28.473 -0.102 2
1 39 . 1 1 A 10 10 GLN N N 31 116.057 118.327 -2.270 2
1 40 . 1 1 A 11 11 ASP H H 32 8.443 8.061 0.382 2
1 41 . 1 1 A 11 11 ASP C C 32 178.793 178.740 0.053 2
1 42 . 1 1 A 11 11 ASP CA C 32 57.750 57.122 0.628 2
1 43 . 1 1 A 11 11 ASP CB C 32 39.897 40.544 -0.647 2
1 44 . 1 1 A 11 11 ASP N N 32 122.134 120.132 2.002 2
1 45 . 1 1 A 12 12 VAL H H 33 8.777 8.017 0.760 2
1 46 . 1 1 A 12 12 VAL C C 33 177.553 177.770 -0.217 2
1 47 . 1 1 A 12 12 VAL CA C 33 67.111 66.779 0.332 2
1 48 . 1 1 A 12 12 VAL CB C 33 31.288 31.311 -0.023 2
1 49 . 1 1 A 12 12 VAL N N 33 119.991 120.297 -0.306 2
1 50 . 1 1 A 13 13 LYS H H 34 8.033 8.086 -0.053 2
1 51 . 1 1 A 13 13 LYS C C 34 179.183 179.311 -0.128 2
1 52 . 1 1 A 13 13 LYS CA C 34 59.804 59.351 0.453 2
1 53 . 1 1 A 13 13 LYS CB C 34 32.292 32.146 0.146 2
1 54 . 1 1 A 13 13 LYS N N 34 119.348 119.133 0.215 2
1 55 . 1 1 A 14 14 ALA H H 35 7.752 7.923 -0.171 2
1 56 . 1 1 A 14 14 ALA C C 35 181.118 180.280 0.838 2
1 57 . 1 1 A 14 14 ALA CA C 35 54.973 54.973 0.000 2
1 58 . 1 1 A 14 14 ALA CB C 35 18.061 18.342 -0.281 2
1 59 . 1 1 A 14 14 ALA N N 35 119.899 121.621 -1.722 2
1 60 . 1 1 A 15 15 ILE H H 36 7.963 7.898 0.065 2
1 61 . 1 1 A 15 15 ILE C C 36 177.594 178.026 -0.432 2
1 62 . 1 1 A 15 15 ILE CA C 36 64.541 65.383 -0.842 2
1 63 . 1 1 A 15 15 ILE CB C 36 38.026 37.638 0.388 2
1 64 . 1 1 A 15 15 ILE N N 36 122.250 118.618 3.632 2
1 65 . 1 1 A 16 16 GLU H H 37 8.753 8.477 0.276 2
1 66 . 1 1 A 16 16 GLU C C 37 179.816 178.845 0.971 2
1 67 . 1 1 A 16 16 GLU CA C 37 61.326 58.766 2.560 2
1 68 . 1 1 A 16 16 GLU CB C 37 30.918 28.534 2.384 2
1 69 . 1 1 A 16 16 GLU N N 37 121.722 120.167 1.555 2
1 70 . 1 1 A 17 17 VAL H H 38 7.601 7.727 -0.126 2
1 71 . 1 1 A 17 17 VAL C C 38 179.445 178.091 1.354 2
1 72 . 1 1 A 17 17 VAL CA C 38 65.662 66.293 -0.631 2
1 73 . 1 1 A 17 17 VAL CB C 38 32.234 31.724 0.510 2
1 74 . 1 1 A 17 17 VAL N N 38 115.610 121.318 -5.708 2
1 75 . 1 1 A 18 18 SER H H 39 8.402 8.203 0.199 2
1 76 . 1 1 A 18 18 SER C C 39 176.812 175.705 1.107 2
1 77 . 1 1 A 18 18 SER CA C 39 61.903 61.753 0.150 2
1 78 . 1 1 A 18 18 SER CB C 39 62.978 62.490 0.488 2
1 79 . 1 1 A 18 18 SER N N 39 117.237 114.052 3.185 2
1 80 . 1 1 A 19 19 LEU H H 40 8.632 7.638 0.994 2
1 81 . 1 1 A 19 19 LEU C C 40 177.433 176.064 1.369 2
1 82 . 1 1 A 19 19 LEU CA C 40 54.865 54.306 0.559 2
1 83 . 1 1 A 19 19 LEU CB C 40 42.451 42.065 0.386 2
1 84 . 1 1 A 19 19 LEU N N 40 117.970 119.252 -1.282 2
1 85 . 1 1 A 20 20 SER H H 41 7.782 7.972 -0.190 2
1 86 . 1 1 A 20 20 SER C C 41 172.828 173.201 -0.373 2
1 87 . 1 1 A 20 20 SER CA C 41 58.849 59.145 -0.296 2
1 88 . 1 1 A 20 20 SER CB C 41 61.700 60.989 0.711 2
1 89 . 1 1 A 20 20 SER N N 41 117.165 113.136 4.029 2
1 90 . 1 1 A 21 21 ALA H H 42 7.882 7.685 0.197 2
1 91 . 1 1 A 21 21 ALA C C 42 176.164 176.212 -0.048 2
1 92 . 1 1 A 21 21 ALA CA C 42 49.950 50.543 -0.593 2
1 93 . 1 1 A 21 21 ALA CB C 42 24.065 22.246 1.819 2
1 94 . 1 1 A 21 21 ALA N N 42 120.041 121.232 -1.191 2
1 95 . 1 1 A 22 22 ARG H H 43 8.303 8.403 -0.100 2
1 96 . 1 1 A 22 22 ARG C C 43 175.861 175.349 0.512 2
1 97 . 1 1 A 22 22 ARG CA C 43 55.678 55.442 0.236 2
1 98 . 1 1 A 22 22 ARG CB C 43 32.002 32.376 -0.374 2
1 99 . 1 1 A 22 22 ARG N N 43 119.325 118.020 1.305 2
1 100 . 1 1 A 23 23 ILE H H 44 9.592 8.601 0.991 2
1 101 . 1 1 A 23 23 ILE C C 44 173.488 173.684 -0.196 2
1 102 . 1 1 A 23 23 ILE CA C 44 60.186 59.596 0.590 2
1 103 . 1 1 A 23 23 ILE CB C 44 40.756 42.782 -2.026 2
1 104 . 1 1 A 23 23 ILE N N 44 124.423 122.271 2.152 2
1 105 . 1 1 A 24 24 GLY H H 45 9.040 8.731 0.309 2
1 106 . 1 1 A 24 24 GLY C C 45 171.643 171.976 -0.333 2
1 107 . 1 1 A 24 24 GLY CA C 45 44.746 44.268 0.478 2
1 108 . 1 1 A 24 24 GLY N N 45 115.340 114.285 1.055 2
1 109 . 1 1 A 25 25 VAL H H 46 9.129 8.586 0.543 2
1 110 . 1 1 A 25 25 VAL C C 46 174.937 174.031 0.906 2
1 111 . 1 1 A 25 25 VAL CA C 46 59.152 60.470 -1.318 2
1 112 . 1 1 A 25 25 VAL CB C 46 36.907 36.398 0.509 2
1 113 . 1 1 A 25 25 VAL N N 46 122.658 123.057 -0.399 2
1 114 . 1 1 A 26 26 SER H H 47 9.249 8.696 0.553 2
1 115 . 1 1 A 26 26 SER C C 47 172.204 173.162 -0.958 2
1 116 . 1 1 A 26 26 SER CA C 47 57.516 57.191 0.325 2
1 117 . 1 1 A 26 26 SER CB C 47 66.728 65.533 1.195 2
1 118 . 1 1 A 26 26 SER N N 47 119.143 121.048 -1.905 2
1 119 . 1 1 A 27 27 VAL H H 48 8.892 8.737 0.155 2
1 120 . 1 1 A 27 27 VAL C C 48 173.719 174.819 -1.100 2
1 121 . 1 1 A 27 27 VAL CA C 48 61.535 61.157 0.378 2
1 122 . 1 1 A 27 27 VAL CB C 48 35.726 35.238 0.488 2
1 123 . 1 1 A 27 27 VAL N N 48 122.803 125.775 -2.972 2
1 124 . 1 1 A 28 28 LEU H H 49 9.279 9.009 0.270 2
1 125 . 1 1 A 28 28 LEU C C 49 174.182 174.874 -0.692 2
1 126 . 1 1 A 28 28 LEU CA C 49 53.664 53.077 0.587 2
1 127 . 1 1 A 28 28 LEU CB C 49 45.600 44.314 1.286 2
1 128 . 1 1 A 28 28 LEU N N 49 128.350 126.788 1.562 2
1 129 . 1 1 A 29 29 ASP H H 50 8.941 8.773 0.168 2
1 130 . 1 1 A 29 29 ASP C C 50 177.128 176.772 0.356 2
1 131 . 1 1 A 29 29 ASP CA C 50 53.563 52.399 1.164 2
1 132 . 1 1 A 29 29 ASP CB C 50 41.929 41.019 0.910 2
1 133 . 1 1 A 29 29 ASP N N 50 127.703 124.905 2.798 2
1 134 . 1 1 A 30 30 THR H H 51 7.952 8.644 -0.692 2
1 135 . 1 1 A 30 30 THR C C 51 175.960 176.396 -0.436 2
1 136 . 1 1 A 30 30 THR CA C 51 64.611 65.462 -0.851 2
1 137 . 1 1 A 30 30 THR CB C 51 69.080 68.042 1.038 2
1 138 . 1 1 A 30 30 THR N N 51 115.753 118.891 -3.138 2
1 139 . 1 1 A 31 31 GLN H H 52 8.973 8.125 0.848 2
1 140 . 1 1 A 31 31 GLN C C 52 176.975 177.236 -0.261 2
1 141 . 1 1 A 31 31 GLN CA C 52 58.284 59.109 -0.825 2
1 142 . 1 1 A 31 31 GLN CB C 52 29.286 28.341 0.945 2
1 143 . 1 1 A 31 31 GLN N N 52 122.877 121.510 1.367 2
1 144 . 1 1 A 32 32 ASN H H 53 7.623 7.903 -0.280 2
1 145 . 1 1 A 32 32 ASN C C 53 176.853 176.205 0.648 2
1 146 . 1 1 A 32 32 ASN CA C 53 52.038 52.000 0.038 2
1 147 . 1 1 A 32 32 ASN CB C 53 39.367 38.738 0.629 2
1 148 . 1 1 A 32 32 ASN N N 53 112.807 113.156 -0.349 2
1 149 . 1 1 A 33 33 GLY H H 54 8.192 8.168 0.024 2
1 150 . 1 1 A 33 33 GLY C C 54 174.193 174.499 -0.306 2
1 151 . 1 1 A 33 33 GLY CA C 54 46.258 46.154 0.104 2
1 152 . 1 1 A 33 33 GLY N N 54 110.290 110.429 -0.139 2
1 153 . 1 1 A 34 34 GLU H H 55 8.116 8.033 0.083 2
1 154 . 1 1 A 34 34 GLU C C 55 175.023 175.656 -0.633 2
1 155 . 1 1 A 34 34 GLU CA C 55 57.554 55.861 1.693 2
1 156 . 1 1 A 34 34 GLU CB C 55 30.817 30.894 -0.077 2
1 157 . 1 1 A 34 34 GLU N N 55 121.217 120.493 0.724 2
1 158 . 1 1 A 35 35 TYR H H 56 8.433 8.530 -0.097 2
1 159 . 1 1 A 35 35 TYR C C 56 175.165 172.906 2.259 2
1 160 . 1 1 A 35 35 TYR CA C 56 56.781 56.149 0.632 2
1 161 . 1 1 A 35 35 TYR CB C 56 42.068 41.814 0.254 2
1 162 . 1 1 A 35 35 TYR N N 56 124.160 118.214 5.946 2
1 173 . 1 1 A 38 38 TYR H H 60 8.180 9.049 -0.869 2
1 174 . 1 1 A 38 38 TYR C C 60 175.095 174.778 0.317 2
1 175 . 1 1 A 38 38 TYR CA C 60 57.771 57.323 0.448 2
1 176 . 1 1 A 38 38 TYR CB C 60 41.766 41.598 0.168 2
1 177 . 1 1 A 38 38 TYR N N 60 117.495 120.398 -2.903 2
1 178 . 1 1 A 39 39 ASN H H 61 8.765 9.126 -0.361 2
1 179 . 1 1 A 39 39 ASN C C 61 177.017 176.025 0.992 2
1 180 . 1 1 A 39 39 ASN CA C 61 53.946 54.478 -0.532 2
1 181 . 1 1 A 39 39 ASN CB C 61 36.158 36.539 -0.381 2
1 182 . 1 1 A 39 39 ASN N N 61 123.967 125.766 -1.799 2
1 183 . 1 1 A 40 40 GLY H H 62 8.337 7.929 0.408 2
1 184 . 1 1 A 40 40 GLY C C 62 173.020 174.789 -1.769 2
1 185 . 1 1 A 40 40 GLY CA C 62 47.284 46.640 0.644 2
1 186 . 1 1 A 40 40 GLY N N 62 101.356 105.819 -4.463 2
1 187 . 1 1 A 41 41 ASN H H 63 8.268 7.894 0.374 2
1 188 . 1 1 A 41 41 ASN C C 63 175.339 175.447 -0.108 2
1 189 . 1 1 A 41 41 ASN CA C 63 51.791 53.180 -1.389 2
1 190 . 1 1 A 41 41 ASN CB C 63 39.001 39.499 -0.498 2
1 191 . 1 1 A 41 41 ASN N N 63 112.624 116.626 -4.002 2
1 192 . 1 1 A 42 42 GLN H H 64 7.286 7.679 -0.393 2
1 193 . 1 1 A 42 42 GLN C C 64 173.558 175.204 -1.646 2
1 194 . 1 1 A 42 42 GLN CA C 64 55.097 55.807 -0.710 2
1 195 . 1 1 A 42 42 GLN CB C 64 29.494 29.252 0.242 2
1 196 . 1 1 A 42 42 GLN N N 64 120.226 119.483 0.743 2
1 197 . 1 1 A 43 43 ARG H H 65 7.838 8.490 -0.652 2
1 198 . 1 1 A 43 43 ARG C C 65 177.238 175.673 1.565 2
1 199 . 1 1 A 43 43 ARG CA C 65 55.084 55.287 -0.203 2
1 200 . 1 1 A 43 43 ARG CB C 65 31.873 32.166 -0.293 2
1 201 . 1 1 A 43 43 ARG N N 65 115.942 121.187 -5.245 2
1 202 . 1 1 A 44 44 PHE H H 66 8.901 8.657 0.244 2
1 203 . 1 1 A 44 44 PHE C C 66 172.500 173.509 -1.009 2
1 204 . 1 1 A 44 44 PHE CA C 66 55.702 55.781 -0.079 2
1 205 . 1 1 A 44 44 PHE CB C 66 43.325 42.509 0.816 2
1 206 . 1 1 A 44 44 PHE N N 66 118.743 120.715 -1.972 2
1 207 . 1 1 A 45 45 PRO C C 67 177.748 177.866 -0.118 2
1 208 . 1 1 A 45 45 PRO CA C 67 62.994 63.134 -0.140 2
1 209 . 1 1 A 45 45 PRO CB C 67 32.474 32.268 0.206 2
1 210 . 1 1 A 46 46 LEU H H 68 8.927 8.504 0.423 2
1 211 . 1 1 A 46 46 LEU C C 68 181.532 177.389 4.143 2
1 212 . 1 1 A 46 46 LEU CA C 68 58.463 57.597 0.866 2
1 213 . 1 1 A 46 46 LEU CB C 68 44.746 42.497 2.249 2
1 214 . 1 1 A 46 46 LEU N N 68 124.901 123.393 1.508 2
1 215 . 1 1 A 47 47 THR H H 69 10.643 8.112 2.531 2
1 216 . 1 1 A 47 47 THR CA C 69 63.076 63.800 -0.724 2
1 217 . 1 1 A 47 47 THR CB C 69 69.401 68.611 0.790 2
1 218 . 1 1 A 47 47 THR N N 69 116.355 114.128 2.227 2
1 219 . 1 1 A 48 48 SER C C 70 176.723 175.415 1.308 2
1 220 . 1 1 A 48 48 SER CA C 70 63.725 61.063 2.662 2
1 221 . 1 1 A 49 49 THR H H 71 8.182 8.123 0.059 2
1 222 . 1 1 A 49 49 THR C C 71 176.275 176.070 0.205 2
1 223 . 1 1 A 49 49 THR CA C 71 65.013 64.815 0.198 2
1 224 . 1 1 A 49 49 THR CB C 71 69.715 68.975 0.740 2
1 225 . 1 1 A 49 49 THR N N 71 113.737 114.035 -0.298 2
1 226 . 1 1 A 50 50 PHE H H 72 8.312 8.103 0.209 2
1 227 . 1 1 A 50 50 PHE C C 72 176.934 177.697 -0.763 2
1 228 . 1 1 A 50 50 PHE CA C 72 59.191 59.818 -0.627 2
1 229 . 1 1 A 50 50 PHE CB C 72 38.566 37.813 0.753 2
1 230 . 1 1 A 50 50 PHE N N 72 116.862 120.635 -3.773 2
1 231 . 1 1 A 51 51 LYS H H 73 6.723 8.130 -1.407 2
1 232 . 1 1 A 51 51 LYS C C 73 175.016 178.918 -3.902 2
1 233 . 1 1 A 51 51 LYS CA C 73 61.838 58.979 2.859 2
1 234 . 1 1 A 51 51 LYS CB C 73 30.621 31.790 -1.169 2
1 235 . 1 1 A 51 51 LYS N N 73 122.809 121.261 1.548 2
1 236 . 1 1 A 52 52 THR H H 74 6.557 8.001 -1.444 2
1 237 . 1 1 A 52 52 THR C C 74 175.551 177.058 -1.507 2
1 238 . 1 1 A 52 52 THR CA C 74 65.313 66.801 -1.488 2
1 239 . 1 1 A 52 52 THR CB C 74 69.747 68.080 1.667 2
1 240 . 1 1 A 52 52 THR N N 74 111.868 117.632 -5.764 2
1 241 . 1 1 A 53 53 ILE H H 75 7.430 8.111 -0.681 2
1 242 . 1 1 A 53 53 ILE C C 75 177.192 177.901 -0.709 2
1 243 . 1 1 A 53 53 ILE CA C 75 64.103 65.702 -1.599 2
1 244 . 1 1 A 53 53 ILE CB C 75 38.652 38.057 0.595 2
1 245 . 1 1 A 53 53 ILE N N 75 117.045 122.250 -5.205 2
1 246 . 1 1 A 54 54 ALA H H 76 7.301 8.394 -1.093 2
1 247 . 1 1 A 54 54 ALA C C 76 177.740 180.584 -2.844 2
1 248 . 1 1 A 54 54 ALA CA C 76 55.522 55.476 0.046 2
1 249 . 1 1 A 54 54 ALA CB C 76 17.304 17.664 -0.360 2
1 250 . 1 1 A 54 54 ALA N N 76 119.588 121.739 -2.151 2
1 251 . 1 1 A 55 55 CYS H H 77 7.863 8.167 -0.304 2
1 252 . 1 1 A 55 55 CYS C C 77 175.540 176.010 -0.470 2
1 253 . 1 1 A 55 55 CYS CA C 77 61.652 60.353 1.299 2
1 254 . 1 1 A 55 55 CYS CB C 77 41.607 41.982 -0.375 2
1 255 . 1 1 A 55 55 CYS N N 77 112.437 115.733 -3.296 2
1 256 . 1 1 A 56 56 ALA H H 78 8.316 8.343 -0.027 2
1 257 . 1 1 A 56 56 ALA C C 78 178.700 179.270 -0.570 2
1 258 . 1 1 A 56 56 ALA CA C 78 55.561 55.237 0.324 2
1 259 . 1 1 A 56 56 ALA CB C 78 16.367 17.547 -1.180 2
1 260 . 1 1 A 56 56 ALA N N 78 123.539 122.448 1.091 2
1 261 . 1 1 A 57 57 LYS H H 79 7.966 7.728 0.238 2
1 262 . 1 1 A 57 57 LYS C C 79 177.185 178.393 -1.208 2
1 263 . 1 1 A 57 57 LYS CA C 79 59.756 58.482 1.274 2
1 264 . 1 1 A 57 57 LYS CB C 79 31.291 31.614 -0.323 2
1 265 . 1 1 A 57 57 LYS N N 79 117.143 117.928 -0.785 2
1 266 . 1 1 A 58 58 LEU H H 80 7.532 7.917 -0.385 2
1 267 . 1 1 A 58 58 LEU C C 80 177.348 178.184 -0.836 2
1 268 . 1 1 A 58 58 LEU CA C 80 59.023 58.105 0.918 2
1 269 . 1 1 A 58 58 LEU CB C 80 40.933 41.552 -0.619 2
1 270 . 1 1 A 58 58 LEU N N 80 119.166 120.946 -1.780 2
1 271 . 1 1 A 59 59 LEU H H 81 7.308 8.315 -1.007 2
1 272 . 1 1 A 59 59 LEU C C 81 178.144 179.201 -1.057 2
1 273 . 1 1 A 59 59 LEU CA C 81 57.473 57.895 -0.422 2
1 274 . 1 1 A 59 59 LEU CB C 81 40.527 41.706 -1.179 2
1 275 . 1 1 A 59 59 LEU N N 81 115.342 118.432 -3.090 2
1 276 . 1 1 A 60 60 TYR H H 82 8.643 8.347 0.296 2
1 277 . 1 1 A 60 60 TYR C C 82 177.953 177.666 0.287 2
1 278 . 1 1 A 60 60 TYR CA C 82 62.040 61.862 0.178 2
1 279 . 1 1 A 60 60 TYR CB C 82 39.456 38.533 0.923 2
1 280 . 1 1 A 60 60 TYR N N 82 122.607 119.311 3.296 2
1 281 . 1 1 A 61 61 ASP H H 83 9.466 8.362 1.104 2
1 282 . 1 1 A 61 61 ASP C C 83 179.981 178.491 1.490 2
1 283 . 1 1 A 61 61 ASP CA C 83 57.255 57.091 0.164 2
1 284 . 1 1 A 61 61 ASP CB C 83 39.457 39.943 -0.486 2
1 285 . 1 1 A 61 61 ASP N N 83 121.455 118.794 2.661 2
1 286 . 1 1 A 62 62 ALA H H 84 8.490 8.242 0.248 2
1 287 . 1 1 A 62 62 ALA C C 84 182.376 180.013 2.363 2
1 288 . 1 1 A 62 62 ALA CA C 84 54.938 55.055 -0.117 2
1 289 . 1 1 A 62 62 ALA CB C 84 18.057 18.073 -0.016 2
1 290 . 1 1 A 62 62 ALA N N 84 125.877 122.734 3.143 2
1 291 . 1 1 A 63 63 GLU H H 85 8.351 8.235 0.116 2
1 292 . 1 1 A 63 63 GLU C C 85 179.130 178.586 0.544 2
1 293 . 1 1 A 63 63 GLU CA C 85 59.911 59.549 0.362 2
1 294 . 1 1 A 63 63 GLU CB C 85 29.161 29.101 0.060 2
1 295 . 1 1 A 63 63 GLU N N 85 122.395 118.932 3.463 2
1 296 . 1 1 A 64 64 GLN H H 86 7.601 7.893 -0.292 2
1 297 . 1 1 A 64 64 GLN C C 86 176.344 176.395 -0.051 2
1 298 . 1 1 A 64 64 GLN CA C 86 55.023 55.338 -0.315 2
1 299 . 1 1 A 64 64 GLN CB C 86 28.996 29.101 -0.105 2
1 300 . 1 1 A 64 64 GLN N N 86 113.917 116.619 -2.702 2
1 301 . 1 1 A 65 65 GLY H H 87 7.911 7.913 -0.002 2
1 302 . 1 1 A 65 65 GLY C C 87 174.963 174.817 0.146 2
1 303 . 1 1 A 65 65 GLY CA C 87 45.837 45.888 -0.051 2
1 304 . 1 1 A 65 65 GLY N N 87 107.914 107.918 -0.004 2
1 305 . 1 1 A 66 66 LYS H H 88 8.303 8.252 0.051 2
1 306 . 1 1 A 66 66 LYS C C 88 175.797 176.129 -0.332 2
1 307 . 1 1 A 66 66 LYS CA C 88 57.269 56.957 0.312 2
1 308 . 1 1 A 66 66 LYS CB C 88 33.877 32.770 1.107 2
1 309 . 1 1 A 66 66 LYS N N 88 118.071 118.699 -0.628 2
1 310 . 1 1 A 67 67 VAL H H 89 6.995 7.558 -0.563 2
1 311 . 1 1 A 67 67 VAL C C 89 172.574 172.360 0.214 2
1 312 . 1 1 A 67 67 VAL CA C 89 59.755 59.924 -0.169 2
1 313 . 1 1 A 67 67 VAL CB C 89 35.583 34.675 0.908 2
1 314 . 1 1 A 67 67 VAL N N 89 114.829 115.848 -1.019 2
1 315 . 1 1 A 68 68 ASN H H 90 8.763 8.739 0.024 2
1 316 . 1 1 A 68 68 ASN CA C 90 48.876 49.682 -0.806 2
1 317 . 1 1 A 68 68 ASN CB C 90 39.258 39.955 -0.697 2
1 318 . 1 1 A 68 68 ASN N N 90 123.201 125.846 -2.645 2
1 319 . 1 1 A 69 69 PRO C C 91 174.562 177.710 -3.148 2
1 320 . 1 1 A 69 69 PRO CA C 91 64.543 64.267 0.276 2
1 321 . 1 1 A 69 69 PRO CB C 91 32.122 31.994 0.128 2
1 322 . 1 1 A 70 70 ASN H H 92 8.026 8.147 -0.121 2
1 323 . 1 1 A 70 70 ASN C C 92 175.378 175.070 0.308 2
1 324 . 1 1 A 70 70 ASN CA C 92 53.133 53.124 0.009 2
1 325 . 1 1 A 70 70 ASN CB C 92 38.847 39.126 -0.279 2
1 326 . 1 1 A 70 70 ASN N N 92 112.475 116.129 -3.654 2
1 327 . 1 1 A 71 71 SER H H 93 8.006 7.547 0.459 2
1 328 . 1 1 A 71 71 SER C C 93 172.826 174.569 -1.743 2
1 329 . 1 1 A 71 71 SER CA C 93 59.797 58.273 1.524 2
1 330 . 1 1 A 71 71 SER CB C 93 64.094 63.805 0.289 2
1 331 . 1 1 A 71 71 SER N N 93 117.585 114.546 3.039 2
1 332 . 1 1 A 72 72 THR H H 94 7.881 8.463 -0.582 2
1 333 . 1 1 A 72 72 THR C C 94 175.685 173.635 2.050 2
1 334 . 1 1 A 72 72 THR CA C 94 59.412 59.598 -0.186 2
1 335 . 1 1 A 72 72 THR CB C 94 72.330 71.482 0.848 2
1 336 . 1 1 A 72 72 THR N N 94 108.287 112.769 -4.482 2
1 337 . 1 1 A 73 73 VAL H H 95 8.875 9.017 -0.142 2
1 338 . 1 1 A 73 73 VAL C C 95 174.499 175.244 -0.745 2
1 339 . 1 1 A 73 73 VAL CA C 95 60.609 60.628 -0.019 2
1 340 . 1 1 A 73 73 VAL CB C 95 35.269 34.990 0.279 2
1 341 . 1 1 A 73 73 VAL N N 95 119.082 121.317 -2.235 2
1 342 . 1 1 A 74 74 GLU H H 96 8.357 8.616 -0.259 2
1 343 . 1 1 A 74 74 GLU C C 96 176.285 175.661 0.624 2
1 344 . 1 1 A 74 74 GLU CA C 96 55.744 56.638 -0.894 2
1 345 . 1 1 A 74 74 GLU CB C 96 30.562 30.553 0.009 2
1 346 . 1 1 A 74 74 GLU N N 96 124.427 126.769 -2.342 2
1 347 . 1 1 A 75 75 ILE H H 97 8.564 8.888 -0.324 2
1 348 . 1 1 A 75 75 ILE C C 97 176.456 175.355 1.101 2
1 349 . 1 1 A 75 75 ILE CA C 97 60.084 60.002 0.082 2
1 350 . 1 1 A 75 75 ILE CB C 97 35.979 38.255 -2.276 2
1 351 . 1 1 A 75 75 ILE N N 97 126.045 127.031 -0.986 2
1 352 . 1 1 A 76 76 LYS H H 98 9.033 8.856 0.177 2
1 353 . 1 1 A 76 76 LYS C C 98 177.032 177.057 -0.025 2
1 354 . 1 1 A 76 76 LYS CA C 98 54.252 54.073 0.179 2
1 355 . 1 1 A 76 76 LYS CB C 98 33.426 34.734 -1.308 2
1 356 . 1 1 A 76 76 LYS N N 98 130.456 127.988 2.468 2
1 357 . 1 1 A 77 77 LYS H H 99 8.904 9.028 -0.124 2
1 358 . 1 1 A 77 77 LYS C C 99 178.802 178.292 0.510 2
1 359 . 1 1 A 77 77 LYS CA C 99 59.873 59.914 -0.041 2
1 360 . 1 1 A 77 77 LYS CB C 99 32.240 32.053 0.187 2
1 361 . 1 1 A 77 77 LYS N N 99 123.903 125.000 -1.097 2
1 362 . 1 1 A 78 78 ALA H H 100 8.330 7.832 0.498 2
1 363 . 1 1 A 78 78 ALA C C 100 177.816 177.933 -0.117 2
1 364 . 1 1 A 78 78 ALA CA C 100 53.878 53.858 0.020 2
1 365 . 1 1 A 78 78 ALA CB C 100 18.750 18.514 0.236 2
1 366 . 1 1 A 78 78 ALA N N 100 117.679 120.427 -2.748 2
1 367 . 1 1 A 79 79 ASP H H 101 7.527 7.773 -0.246 2
1 368 . 1 1 A 79 79 ASP C C 101 176.009 176.994 -0.985 2
1 369 . 1 1 A 79 79 ASP CA C 101 54.993 55.084 -0.091 2
1 370 . 1 1 A 79 79 ASP CB C 101 41.559 41.581 -0.022 2
1 371 . 1 1 A 79 79 ASP N N 101 115.318 116.490 -1.172 2
1 372 . 1 1 A 80 80 LEU H H 102 7.107 7.389 -0.282 2
1 373 . 1 1 A 80 80 LEU C C 102 177.887 176.392 1.495 2
1 374 . 1 1 A 80 80 LEU CA C 102 55.912 55.972 -0.060 2
1 375 . 1 1 A 80 80 LEU CB C 102 42.008 42.094 -0.086 2
1 376 . 1 1 A 80 80 LEU N N 102 116.953 122.072 -5.119 2
1 377 . 1 1 A 81 81 VAL H H 103 7.873 8.788 -0.915 2
1 378 . 1 1 A 81 81 VAL C C 103 176.558 175.382 1.176 2
1 379 . 1 1 A 81 81 VAL CA C 103 59.337 58.771 0.566 2
1 380 . 1 1 A 81 81 VAL CB C 103 34.507 35.492 -0.985 2
1 381 . 1 1 A 81 81 VAL N N 103 119.626 119.009 0.617 2
1 382 . 1 1 A 82 82 THR H H 104 8.202 8.450 -0.248 2
1 383 . 1 1 A 82 82 THR C C 104 172.709 175.389 -2.680 2
1 384 . 1 1 A 82 82 THR CA C 104 64.066 64.906 -0.840 2
1 385 . 1 1 A 82 82 THR CB C 104 69.161 68.590 0.571 2
1 386 . 1 1 A 82 82 THR N N 104 119.835 117.643 2.192 2
1 387 . 1 1 A 83 83 TYR H H 105 8.692 9.007 -0.315 2
1 388 . 1 1 A 83 83 TYR C C 105 172.273 175.256 -2.983 2
1 389 . 1 1 A 83 83 TYR CA C 105 60.474 58.887 1.587 2
1 390 . 1 1 A 83 83 TYR CB C 105 36.092 36.841 -0.749 2
1 391 . 1 1 A 83 83 TYR N N 105 123.059 125.887 -2.828 2
1 392 . 1 1 A 84 84 SER H H 106 8.477 8.352 0.125 2
1 393 . 1 1 A 84 84 SER CA C 106 55.211 55.565 -0.354 2
1 394 . 1 1 A 84 84 SER CB C 106 64.706 63.413 1.293 2
1 395 . 1 1 A 84 84 SER N N 106 117.950 118.362 -0.412 2
1 396 . 1 1 A 85 85 PRO C C 107 178.030 178.929 -0.899 2
1 397 . 1 1 A 85 85 PRO CA C 107 64.065 65.213 -1.148 2
1 398 . 1 1 A 85 85 PRO CB C 107 32.405 31.642 0.763 2
1 399 . 1 1 A 86 86 VAL H H 108 8.690 7.247 1.443 2
1 400 . 1 1 A 86 86 VAL C C 108 178.644 177.985 0.659 2
1 401 . 1 1 A 86 86 VAL CA C 108 64.630 65.342 -0.712 2
1 402 . 1 1 A 86 86 VAL CB C 108 33.250 31.675 1.575 2
1 403 . 1 1 A 86 86 VAL N N 108 118.857 115.919 2.938 2
1 404 . 1 1 A 87 87 ILE H H 109 9.530 8.244 1.286 2
1 405 . 1 1 A 87 87 ILE C C 109 178.674 178.621 0.053 2
1 406 . 1 1 A 87 87 ILE CA C 109 61.734 64.833 -3.099 2
1 407 . 1 1 A 87 87 ILE CB C 109 34.904 36.736 -1.832 2
1 408 . 1 1 A 87 87 ILE N N 109 121.483 119.358 2.125 2
1 409 . 1 1 A 88 88 GLU H H 110 8.391 9.099 -0.708 2
1 410 . 1 1 A 88 88 GLU C C 110 177.333 177.266 0.067 2
1 411 . 1 1 A 88 88 GLU CA C 110 58.866 58.310 0.556 2
1 412 . 1 1 A 88 88 GLU CB C 110 28.219 28.044 0.175 2
1 413 . 1 1 A 88 88 GLU N N 110 116.408 119.907 -3.499 2
1 414 . 1 1 A 89 89 LYS H H 111 6.939 7.823 -0.884 2
1 415 . 1 1 A 89 89 LYS C C 111 177.067 177.652 -0.585 2
1 416 . 1 1 A 89 89 LYS CA C 111 56.343 57.115 -0.772 2
1 417 . 1 1 A 89 89 LYS CB C 111 32.573 32.492 0.081 2
1 418 . 1 1 A 89 89 LYS N N 111 115.857 118.696 -2.839 2
1 419 . 1 1 A 90 90 GLN H H 112 7.955 7.782 0.173 2
1 420 . 1 1 A 90 90 GLN C C 112 174.432 175.237 -0.805 2
1 421 . 1 1 A 90 90 GLN CA C 112 54.743 54.998 -0.255 2
1 422 . 1 1 A 90 90 GLN CB C 112 30.286 29.154 1.132 2
1 423 . 1 1 A 90 90 GLN N N 112 117.929 116.713 1.216 2
1 424 . 1 1 A 91 91 VAL H H 113 7.207 7.259 -0.052 2
1 425 . 1 1 A 91 91 VAL C C 113 177.573 177.315 0.258 2
1 426 . 1 1 A 91 91 VAL CA C 113 65.395 65.373 0.022 2
1 427 . 1 1 A 91 91 VAL CB C 113 31.036 31.453 -0.417 2
1 428 . 1 1 A 91 91 VAL N N 113 119.007 118.940 0.067 2
1 429 . 1 1 A 92 92 GLY H H 114 8.723 8.803 -0.080 2
1 430 . 1 1 A 92 92 GLY C C 114 173.971 173.478 0.493 2
1 431 . 1 1 A 92 92 GLY CA C 114 45.127 45.271 -0.144 2
1 432 . 1 1 A 92 92 GLY N N 114 116.093 114.887 1.206 2
1 433 . 1 1 A 93 93 GLN H H 115 8.219 7.911 0.308 2
1 434 . 1 1 A 93 93 GLN C C 115 173.446 174.654 -1.208 2
1 435 . 1 1 A 93 93 GLN CA C 115 54.116 54.046 0.070 2
1 436 . 1 1 A 93 93 GLN CB C 115 30.158 31.646 -1.488 2
1 437 . 1 1 A 93 93 GLN N N 115 119.361 119.052 0.309 2
1 438 . 1 1 A 94 94 ALA H H 116 8.211 8.734 -0.523 2
1 439 . 1 1 A 94 94 ALA C C 116 177.086 175.409 1.677 2
1 440 . 1 1 A 94 94 ALA CA C 116 50.624 49.903 0.721 2
1 441 . 1 1 A 94 94 ALA CB C 116 20.088 22.806 -2.718 2
1 442 . 1 1 A 94 94 ALA N N 116 121.983 121.342 0.641 2
1 443 . 1 1 A 95 95 ILE H H 117 8.500 8.879 -0.379 2
1 444 . 1 1 A 95 95 ILE C C 117 174.748 174.906 -0.158 2
1 445 . 1 1 A 95 95 ILE CA C 117 58.778 59.263 -0.485 2
1 446 . 1 1 A 95 95 ILE CB C 117 41.585 41.957 -0.372 2
1 447 . 1 1 A 95 95 ILE N N 117 119.415 120.555 -1.140 2
1 448 . 1 1 A 96 96 THR H H 118 8.747 8.727 0.020 2
1 449 . 1 1 A 96 96 THR C C 118 176.400 176.194 0.206 2
1 450 . 1 1 A 96 96 THR CA C 118 60.183 60.608 -0.425 2
1 451 . 1 1 A 96 96 THR CB C 118 71.387 70.952 0.435 2
1 452 . 1 1 A 96 96 THR N N 118 113.069 117.016 -3.947 2
1 453 . 1 1 A 97 97 LEU H H 119 7.735 8.666 -0.931 2
1 454 . 1 1 A 97 97 LEU C C 119 179.199 178.558 0.641 2
1 455 . 1 1 A 97 97 LEU CA C 119 57.848 58.109 -0.261 2
1 456 . 1 1 A 97 97 LEU CB C 119 40.857 41.612 -0.755 2
1 457 . 1 1 A 97 97 LEU N N 119 119.583 123.088 -3.505 2
1 458 . 1 1 A 98 98 ASP H H 120 8.371 8.320 0.051 2
1 459 . 1 1 A 98 98 ASP C C 120 178.118 178.122 -0.004 2
1 460 . 1 1 A 98 98 ASP CA C 120 58.648 58.035 0.613 2
1 461 . 1 1 A 98 98 ASP CB C 120 42.451 41.433 1.018 2
1 462 . 1 1 A 98 98 ASP N N 120 119.493 120.182 -0.689 2
1 463 . 1 1 A 99 99 ASP H H 121 8.194 7.931 0.263 2
1 464 . 1 1 A 99 99 ASP C C 121 179.919 178.399 1.520 2
1 465 . 1 1 A 99 99 ASP CA C 121 57.115 57.343 -0.228 2
1 466 . 1 1 A 99 99 ASP CB C 121 39.875 40.533 -0.658 2
1 467 . 1 1 A 99 99 ASP N N 121 118.300 118.838 -0.538 2
1 468 . 1 1 A 100 100 ALA H H 122 8.545 7.994 0.551 2
1 469 . 1 1 A 100 100 ALA C C 122 179.848 180.148 -0.300 2
1 470 . 1 1 A 100 100 ALA CA C 122 55.526 54.980 0.546 2
1 471 . 1 1 A 100 100 ALA CB C 122 16.104 17.703 -1.599 2
1 472 . 1 1 A 100 100 ALA N N 122 125.219 121.808 3.411 2
1 473 . 1 1 A 101 101 CYS H H 123 8.186 8.145 0.041 2
1 474 . 1 1 A 101 101 CYS C C 123 175.844 175.679 0.165 2
1 475 . 1 1 A 101 101 CYS CA C 123 63.781 60.848 2.933 2
1 476 . 1 1 A 101 101 CYS CB C 123 42.009 42.206 -0.197 2
1 477 . 1 1 A 101 101 CYS N N 123 118.799 115.658 3.141 2
1 478 . 1 1 A 102 102 PHE H H 124 8.472 8.343 0.129 2
1 479 . 1 1 A 102 102 PHE C C 124 179.322 176.924 2.398 2
1 480 . 1 1 A 102 102 PHE CA C 124 62.305 61.322 0.983 2
1 481 . 1 1 A 102 102 PHE CB C 124 38.311 39.182 -0.871 2
1 482 . 1 1 A 102 102 PHE N N 124 122.248 121.323 0.925 2
1 483 . 1 1 A 103 103 ALA H H 125 8.751 8.090 0.661 2
1 484 . 1 1 A 103 103 ALA C C 125 180.773 179.702 1.071 2
1 485 . 1 1 A 103 103 ALA CA C 125 55.388 55.171 0.217 2
1 486 . 1 1 A 103 103 ALA CB C 125 17.708 18.534 -0.826 2
1 487 . 1 1 A 103 103 ALA N N 125 121.660 120.893 0.767 2
1 488 . 1 1 A 104 104 THR H H 126 8.525 7.791 0.734 2
1 489 . 1 1 A 104 104 THR C C 126 175.816 176.598 -0.782 2
1 490 . 1 1 A 104 104 THR CA C 126 67.235 65.781 1.454 2
1 491 . 1 1 A 104 104 THR CB C 126 68.442 68.582 -0.140 2
1 492 . 1 1 A 104 104 THR N N 126 116.388 112.120 4.268 2
1 493 . 1 1 A 105 105 MET H H 127 8.527 8.135 0.392 2
1 494 . 1 1 A 105 105 MET C C 127 180.632 177.547 3.085 2
1 495 . 1 1 A 105 105 MET CA C 127 55.576 58.093 -2.517 2
1 496 . 1 1 A 105 105 MET CB C 127 29.951 32.746 -2.795 2
1 497 . 1 1 A 105 105 MET N N 127 119.733 118.742 0.991 2
1 498 . 1 1 A 106 106 THR H H 128 7.943 7.723 0.220 2
1 499 . 1 1 A 106 106 THR C C 128 176.232 175.621 0.611 2
1 500 . 1 1 A 106 106 THR CA C 128 64.352 62.983 1.369 2
1 501 . 1 1 A 106 106 THR CB C 128 70.760 69.307 1.453 2
1 502 . 1 1 A 106 106 THR N N 128 109.664 108.498 1.166 2
1 503 . 1 1 A 107 107 THR H H 129 7.318 7.895 -0.577 2
1 504 . 1 1 A 107 107 THR C C 129 175.187 175.502 -0.315 2
1 505 . 1 1 A 107 107 THR CA C 129 62.562 61.665 0.897 2
1 506 . 1 1 A 107 107 THR CB C 129 73.853 71.171 2.682 2
1 507 . 1 1 A 107 107 THR N N 129 106.375 111.262 -4.887 2
1 508 . 1 1 A 108 108 SER H H 130 7.867 7.999 -0.132 2
1 509 . 1 1 A 108 108 SER C C 130 173.715 173.499 0.216 2
1 510 . 1 1 A 108 108 SER CA C 130 60.258 60.130 0.128 2
1 511 . 1 1 A 108 108 SER CB C 130 62.806 61.313 1.493 2
1 512 . 1 1 A 108 108 SER N N 130 112.044 113.213 -1.169 2
1 513 . 1 1 A 109 109 ASP H H 131 7.355 8.073 -0.718 2
1 514 . 1 1 A 109 109 ASP C C 131 177.532 176.937 0.595 2
1 515 . 1 1 A 109 109 ASP CA C 131 57.115 54.944 2.171 2
1 516 . 1 1 A 109 109 ASP CB C 131 43.924 42.275 1.649 2
1 517 . 1 1 A 109 109 ASP N N 131 119.948 122.270 -2.322 2
1 518 . 1 1 A 110 110 ASN H H 132 9.205 8.839 0.366 2
1 519 . 1 1 A 110 110 ASN C C 132 177.536 177.830 -0.294 2
1 520 . 1 1 A 110 110 ASN CA C 132 56.556 56.144 0.412 2
1 521 . 1 1 A 110 110 ASN CB C 132 39.058 38.561 0.497 2
1 522 . 1 1 A 110 110 ASN N N 132 129.673 124.749 4.924 2
1 523 . 1 1 A 111 111 THR H H 133 8.278 7.884 0.394 2
1 524 . 1 1 A 111 111 THR C C 133 176.939 176.160 0.779 2
1 525 . 1 1 A 111 111 THR CA C 133 68.410 66.280 2.130 2
1 526 . 1 1 A 111 111 THR CB C 133 67.978 68.612 -0.634 2
1 527 . 1 1 A 111 111 THR N N 133 121.561 117.523 4.038 2
1 528 . 1 1 A 112 112 ALA H H 134 9.293 8.579 0.714 2
1 529 . 1 1 A 112 112 ALA C C 134 178.292 179.548 -1.256 2
1 530 . 1 1 A 112 112 ALA CA C 134 55.203 55.498 -0.295 2
1 531 . 1 1 A 112 112 ALA CB C 134 18.399 17.819 0.580 2
1 532 . 1 1 A 112 112 ALA N N 134 123.767 123.849 -0.082 2
1 533 . 1 1 A 113 113 ALA H H 135 7.113 7.990 -0.877 2
1 534 . 1 1 A 113 113 ALA C C 135 178.386 180.194 -1.808 2
1 535 . 1 1 A 113 113 ALA CA C 135 55.551 55.279 0.272 2
1 536 . 1 1 A 113 113 ALA CB C 135 19.069 18.296 0.773 2
1 537 . 1 1 A 113 113 ALA N N 135 116.049 120.566 -4.517 2
1 538 . 1 1 A 114 114 ASN H H 136 7.829 8.119 -0.290 2
1 539 . 1 1 A 114 114 ASN C C 136 179.686 178.455 1.231 2
1 540 . 1 1 A 114 114 ASN CA C 136 55.503 56.409 -0.906 2
1 541 . 1 1 A 114 114 ASN CB C 136 36.854 37.909 -1.055 2
1 542 . 1 1 A 114 114 ASN N N 136 119.490 116.987 2.503 2
1 543 . 1 1 A 115 115 ILE H H 137 8.508 7.720 0.788 2
1 544 . 1 1 A 115 115 ILE C C 137 178.764 178.460 0.304 2
1 545 . 1 1 A 115 115 ILE CA C 137 65.550 65.266 0.284 2
1 546 . 1 1 A 115 115 ILE CB C 137 37.845 37.892 -0.047 2
1 547 . 1 1 A 115 115 ILE N N 137 124.833 120.078 4.755 2
1 548 . 1 1 A 116 116 ILE H H 138 7.753 8.076 -0.323 2
1 549 . 1 1 A 116 116 ILE C C 138 178.538 178.317 0.221 2
1 550 . 1 1 A 116 116 ILE CA C 138 62.295 65.019 -2.724 2
1 551 . 1 1 A 116 116 ILE CB C 138 35.398 37.813 -2.415 2
1 552 . 1 1 A 116 116 ILE N N 138 120.616 121.436 -0.820 2
1 553 . 1 1 A 117 117 LEU H H 139 8.959 8.259 0.700 2
1 554 . 1 1 A 117 117 LEU C C 139 179.489 179.459 0.030 2
1 555 . 1 1 A 117 117 LEU CA C 139 58.204 58.010 0.194 2
1 556 . 1 1 A 117 117 LEU CB C 139 42.436 41.312 1.124 2
1 557 . 1 1 A 117 117 LEU N N 139 118.439 119.496 -1.057 2
1 558 . 1 1 A 118 118 SER H H 140 8.123 8.516 -0.393 2
1 559 . 1 1 A 118 118 SER C C 140 176.306 175.301 1.005 2
1 560 . 1 1 A 118 118 SER CA C 140 61.659 61.146 0.513 2
1 561 . 1 1 A 118 118 SER CB C 140 62.941 62.643 0.298 2
1 562 . 1 1 A 118 118 SER N N 140 113.515 113.444 0.071 2
1 563 . 1 1 A 119 119 ALA H H 141 7.757 7.688 0.069 2
1 564 . 1 1 A 119 119 ALA C C 141 179.260 177.793 1.467 2
1 565 . 1 1 A 119 119 ALA CA C 141 53.752 53.152 0.600 2
1 566 . 1 1 A 119 119 ALA CB C 141 20.223 19.593 0.630 2
1 567 . 1 1 A 119 119 ALA N N 141 123.215 122.569 0.646 2
1 568 . 1 1 A 120 120 VAL H H 142 7.705 7.474 0.231 2
1 569 . 1 1 A 120 120 VAL C C 142 176.251 175.571 0.680 2
1 570 . 1 1 A 120 120 VAL CA C 142 59.756 60.526 -0.770 2
1 571 . 1 1 A 120 120 VAL CB C 142 32.076 31.375 0.701 2
1 572 . 1 1 A 120 120 VAL N N 142 107.292 111.009 -3.717 2
1 573 . 1 1 A 121 121 GLY H H 143 7.602 7.953 -0.351 2
1 574 . 1 1 A 121 121 GLY C C 143 176.167 175.111 1.056 2
1 575 . 1 1 A 121 121 GLY CA C 143 45.644 45.373 0.271 2
1 576 . 1 1 A 121 121 GLY N N 143 108.552 110.064 -1.512 2
1 577 . 1 1 A 122 122 GLY H H 144 9.018 8.607 0.411 2
1 578 . 1 1 A 122 122 GLY C C 144 170.357 175.801 -5.444 2
1 579 . 1 1 A 122 122 GLY CA C 144 45.413 44.922 0.491 2
1 580 . 1 1 A 122 122 GLY N N 144 110.331 109.141 1.190 2
1 581 . 1 1 A 123 123 PRO C C 145 178.357 178.747 -0.390 2
1 582 . 1 1 A 123 123 PRO CA C 145 66.262 65.221 1.041 2
1 583 . 1 1 A 123 123 PRO CB C 145 31.985 31.878 0.107 2
1 584 . 1 1 A 124 124 LYS H H 146 8.633 8.170 0.463 2
1 585 . 1 1 A 124 124 LYS C C 146 178.319 180.066 -1.747 2
1 586 . 1 1 A 124 124 LYS CA C 146 59.686 59.498 0.188 2
1 587 . 1 1 A 124 124 LYS CB C 146 32.436 32.226 0.210 2
1 588 . 1 1 A 124 124 LYS N N 146 117.956 117.920 0.036 2
1 589 . 1 1 A 125 125 GLY H H 147 7.458 8.222 -0.764 2
1 590 . 1 1 A 125 125 GLY C C 147 177.516 176.120 1.396 2
1 591 . 1 1 A 125 125 GLY CA C 147 46.973 47.512 -0.539 2
1 592 . 1 1 A 125 125 GLY N N 147 108.135 108.718 -0.583 2
1 593 . 1 1 A 126 126 VAL H H 148 8.455 8.116 0.339 2
1 594 . 1 1 A 126 126 VAL C C 148 177.023 177.755 -0.732 2
1 595 . 1 1 A 126 126 VAL CA C 148 67.365 65.621 1.744 2
1 596 . 1 1 A 126 126 VAL CB C 148 31.327 32.070 -0.743 2
1 597 . 1 1 A 126 126 VAL N N 148 121.967 122.283 -0.316 2
1 598 . 1 1 A 127 127 THR H H 149 8.583 8.228 0.355 2
1 599 . 1 1 A 127 127 THR C C 149 175.408 176.022 -0.614 2
1 600 . 1 1 A 127 127 THR CA C 149 68.657 67.161 1.496 2
1 601 . 1 1 A 127 127 THR N N 149 119.001 116.579 2.422 2
1 602 . 1 1 A 128 128 ASP H H 150 8.798 8.244 0.554 2
1 603 . 1 1 A 128 128 ASP C C 150 179.147 178.962 0.185 2
1 604 . 1 1 A 128 128 ASP CA C 150 57.895 57.400 0.495 2
1 605 . 1 1 A 128 128 ASP CB C 150 40.174 40.228 -0.054 2
1 606 . 1 1 A 128 128 ASP N N 150 121.678 121.260 0.418 2
1 607 . 1 1 A 129 129 PHE H H 151 7.838 8.063 -0.225 2
1 608 . 1 1 A 129 129 PHE C C 151 176.086 177.151 -1.065 2
1 609 . 1 1 A 129 129 PHE CA C 151 59.323 61.461 -2.138 2
1 610 . 1 1 A 129 129 PHE CB C 151 39.195 39.303 -0.108 2
1 611 . 1 1 A 129 129 PHE N N 151 122.498 122.707 -0.209 2
1 612 . 1 1 A 130 130 LEU H H 152 8.146 8.503 -0.357 2
1 613 . 1 1 A 130 130 LEU C C 152 178.586 179.410 -0.824 2
1 614 . 1 1 A 130 130 LEU CA C 152 57.907 57.778 0.129 2
1 615 . 1 1 A 130 130 LEU CB C 152 40.581 41.286 -0.705 2
1 616 . 1 1 A 130 130 LEU N N 152 120.676 118.718 1.958 2
1 617 . 1 1 A 131 131 ARG H H 153 8.223 8.154 0.069 2
1 618 . 1 1 A 131 131 ARG C C 153 181.353 179.177 2.176 2
1 619 . 1 1 A 131 131 ARG CA C 153 57.332 59.533 -2.201 2
1 620 . 1 1 A 131 131 ARG CB C 153 28.410 29.743 -1.333 2
1 621 . 1 1 A 131 131 ARG N N 153 116.388 119.041 -2.653 2
1 622 . 1 1 A 132 132 GLN H H 154 8.183 7.989 0.194 2
1 623 . 1 1 A 132 132 GLN C C 154 178.480 178.079 0.401 2
1 624 . 1 1 A 132 132 GLN CA C 154 58.933 58.933 0.000 2
1 625 . 1 1 A 132 132 GLN CB C 154 28.245 28.053 0.192 2
1 626 . 1 1 A 132 132 GLN N N 154 121.742 118.374 3.368 2
1 627 . 1 1 A 133 133 ILE H H 155 7.631 7.829 -0.198 2
1 628 . 1 1 A 133 133 ILE C C 155 176.430 175.984 0.446 2
1 629 . 1 1 A 133 133 ILE CA C 155 60.929 61.514 -0.585 2
1 630 . 1 1 A 133 133 ILE CB C 155 37.778 38.380 -0.602 2
1 631 . 1 1 A 133 133 ILE N N 155 111.428 115.516 -4.088 2
1 632 . 1 1 A 134 134 GLY H H 156 7.586 7.941 -0.355 2
1 633 . 1 1 A 134 134 GLY C C 156 172.968 173.855 -0.887 2
1 634 . 1 1 A 134 134 GLY CA C 156 45.690 44.982 0.708 2
1 635 . 1 1 A 134 134 GLY N N 156 109.054 110.725 -1.671 2
1 636 . 1 1 A 135 135 ASP H H 157 8.288 7.975 0.313 2
1 637 . 1 1 A 135 135 ASP C C 157 176.293 176.259 0.034 2
1 638 . 1 1 A 135 135 ASP CA C 157 52.917 53.681 -0.764 2
1 639 . 1 1 A 135 135 ASP CB C 157 39.990 40.849 -0.859 2
1 640 . 1 1 A 135 135 ASP N N 157 123.129 120.529 2.600 2
1 641 . 1 1 A 136 136 LYS H H 158 8.581 8.688 -0.107 2
1 642 . 1 1 A 136 136 LYS C C 158 176.372 176.692 -0.320 2
1 643 . 1 1 A 136 136 LYS CA C 158 56.388 57.073 -0.685 2
1 644 . 1 1 A 136 136 LYS CB C 158 32.998 32.427 0.571 2
1 645 . 1 1 A 136 136 LYS N N 158 123.318 125.515 -2.197 2
1 646 . 1 1 A 137 137 GLU H H 159 8.600 7.657 0.943 2
1 647 . 1 1 A 137 137 GLU C C 159 177.409 176.990 0.419 2
1 648 . 1 1 A 137 137 GLU CA C 159 57.480 57.570 -0.090 2
1 649 . 1 1 A 137 137 GLU CB C 159 33.032 30.924 2.108 2
1 650 . 1 1 A 137 137 GLU N N 159 118.051 116.646 1.405 2
1 651 . 1 1 A 138 138 THR H H 160 9.746 7.663 2.083 2
1 652 . 1 1 A 138 138 THR C C 160 173.854 174.589 -0.735 2
1 653 . 1 1 A 138 138 THR CA C 160 64.676 63.997 0.679 2
1 654 . 1 1 A 138 138 THR CB C 160 66.411 69.593 -3.182 2
1 655 . 1 1 A 138 138 THR N N 160 124.268 115.741 8.527 2
1 656 . 1 1 A 139 139 ARG H H 161 9.012 8.736 0.276 2
1 657 . 1 1 A 139 139 ARG C C 161 170.666 173.881 -3.215 2
1 658 . 1 1 A 139 139 ARG CA C 161 54.904 54.580 0.324 2
1 659 . 1 1 A 139 139 ARG CB C 161 33.663 33.873 -0.210 2
1 660 . 1 1 A 139 139 ARG N N 161 121.828 123.209 -1.381 2
1 661 . 1 1 A 140 140 LEU H H 162 7.782 8.874 -1.092 2
1 662 . 1 1 A 140 140 LEU C C 162 174.210 175.534 -1.324 2
1 663 . 1 1 A 140 140 LEU CA C 162 53.524 53.395 0.129 2
1 664 . 1 1 A 140 140 LEU CB C 162 45.925 45.527 0.398 2
1 665 . 1 1 A 140 140 LEU N N 162 121.586 123.755 -2.169 2
1 666 . 1 1 A 141 141 ASP H H 163 10.215 8.950 1.265 2
1 667 . 1 1 A 141 141 ASP C C 163 175.234 175.783 -0.549 2
1 668 . 1 1 A 141 141 ASP CA C 163 55.899 54.640 1.259 2
1 669 . 1 1 A 141 141 ASP CB C 163 45.525 43.344 2.181 2
1 670 . 1 1 A 141 141 ASP N N 163 125.953 124.675 1.278 2
1 671 . 1 1 A 142 142 ARG H H 164 9.468 7.689 1.779 2
1 672 . 1 1 A 142 142 ARG C C 164 172.009 175.055 -3.046 2
1 673 . 1 1 A 142 142 ARG CA C 164 54.902 54.148 0.754 2
1 674 . 1 1 A 142 142 ARG CB C 164 35.057 33.896 1.161 2
1 675 . 1 1 A 142 142 ARG N N 164 126.215 117.031 9.184 2
1 676 . 1 1 A 143 143 ILE H H 165 7.233 8.279 -1.046 2
1 677 . 1 1 A 143 143 ILE C C 165 177.903 175.889 2.014 2
1 678 . 1 1 A 143 143 ILE CA C 165 59.469 58.778 0.691 2
1 679 . 1 1 A 143 143 ILE CB C 165 37.985 40.024 -2.039 2
1 680 . 1 1 A 143 143 ILE N N 165 105.992 118.104 -12.112 2
1 681 . 1 1 A 144 144 GLU H H 166 9.004 8.663 0.341 2
1 682 . 1 1 A 144 144 GLU C C 166 178.300 176.518 1.782 2
1 683 . 1 1 A 144 144 GLU CA C 166 55.510 54.703 0.807 2
1 684 . 1 1 A 144 144 GLU CB C 166 28.840 29.388 -0.548 2
1 685 . 1 1 A 144 144 GLU N N 166 117.216 121.881 -4.665 2
1 686 . 1 1 A 145 145 PRO C C 167 177.540 177.057 0.483 2
1 687 . 1 1 A 145 145 PRO CA C 167 63.818 63.841 -0.023 2
1 688 . 1 1 A 145 145 PRO CB C 167 32.607 32.959 -0.352 2
1 689 . 1 1 A 146 146 ASP H H 168 8.143 8.497 -0.354 2
1 690 . 1 1 A 146 146 ASP C C 168 176.478 178.483 -2.005 2
1 691 . 1 1 A 146 146 ASP CA C 168 57.431 56.938 0.493 2
1 692 . 1 1 A 146 146 ASP CB C 168 40.890 40.481 0.409 2
1 693 . 1 1 A 146 146 ASP N N 168 128.085 119.306 8.779 2
1 694 . 1 1 A 147 147 LEU H H 169 7.442 7.825 -0.383 2
1 695 . 1 1 A 147 147 LEU C C 169 176.971 177.464 -0.493 2
1 696 . 1 1 A 147 147 LEU CA C 169 57.214 57.278 -0.064 2
1 697 . 1 1 A 147 147 LEU CB C 169 40.766 41.245 -0.479 2
1 698 . 1 1 A 147 147 LEU N N 169 113.107 115.677 -2.570 2
1 699 . 1 1 A 148 148 ASN H H 170 7.561 8.119 -0.558 2
1 700 . 1 1 A 148 148 ASN C C 170 174.076 175.955 -1.879 2
1 701 . 1 1 A 148 148 ASN CA C 170 54.529 53.671 0.858 2
1 702 . 1 1 A 148 148 ASN CB C 170 40.463 39.303 1.160 2
1 703 . 1 1 A 148 148 ASN N N 170 119.085 117.690 1.395 2
1 704 . 1 1 A 149 149 GLU H H 171 7.224 7.967 -0.743 2
1 705 . 1 1 A 149 149 GLU C C 171 177.940 176.861 1.079 2
1 706 . 1 1 A 149 149 GLU CA C 171 60.826 59.298 1.528 2
1 707 . 1 1 A 149 149 GLU CB C 171 30.302 29.233 1.069 2
1 708 . 1 1 A 149 149 GLU N N 171 121.300 120.357 0.943 2
1 709 . 1 1 A 150 150 GLY H H 172 9.713 8.138 1.575 2
1 710 . 1 1 A 150 150 GLY C C 172 174.714 174.850 -0.136 2
1 711 . 1 1 A 150 150 GLY CA C 172 46.396 46.692 -0.296 2
1 712 . 1 1 A 150 150 GLY N N 172 105.153 107.961 -2.808 2
1 713 . 1 1 A 151 151 LYS H H 173 8.136 7.725 0.411 2
1 714 . 1 1 A 151 151 LYS C C 173 177.473 175.800 1.673 2
1 715 . 1 1 A 151 151 LYS CA C 173 57.688 55.716 1.972 2
1 716 . 1 1 A 151 151 LYS CB C 173 33.172 33.203 -0.031 2
1 717 . 1 1 A 151 151 LYS N N 173 118.745 118.961 -0.216 2
1 718 . 1 1 A 152 152 LEU H H 174 8.152 8.603 -0.451 2
1 719 . 1 1 A 152 152 LEU C C 174 177.926 177.657 0.269 2
1 720 . 1 1 A 152 152 LEU CA C 174 56.901 56.331 0.570 2
1 721 . 1 1 A 152 152 LEU CB C 174 41.440 41.561 -0.121 2
1 722 . 1 1 A 152 152 LEU N N 174 128.193 124.568 3.625 2
1 723 . 1 1 A 153 153 GLY H H 175 8.992 8.901 0.091 2
1 724 . 1 1 A 153 153 GLY C C 175 172.817 173.758 -0.941 2
1 725 . 1 1 A 153 153 GLY CA C 175 45.201 45.080 0.121 2
1 726 . 1 1 A 153 153 GLY N N 175 115.497 115.251 0.246 2
1 727 . 1 1 A 154 154 ASP H H 176 7.284 7.921 -0.637 2
1 728 . 1 1 A 154 154 ASP C C 176 177.233 177.187 0.046 2
1 729 . 1 1 A 154 154 ASP CA C 176 52.935 54.357 -1.422 2
1 730 . 1 1 A 154 154 ASP CB C 176 42.020 41.445 0.575 2
1 731 . 1 1 A 154 154 ASP N N 176 120.788 120.591 0.197 2
1 732 . 1 1 A 155 155 LEU H H 177 8.745 8.759 -0.014 2
1 733 . 1 1 A 155 155 LEU C C 177 178.347 177.341 1.006 2
1 734 . 1 1 A 155 155 LEU CA C 177 55.591 55.360 0.231 2
1 735 . 1 1 A 155 155 LEU CB C 177 42.902 42.052 0.850 2
1 736 . 1 1 A 155 155 LEU N N 177 128.081 127.843 0.238 2
1 737 . 1 1 A 156 156 ARG H H 178 7.991 7.474 0.517 2
1 738 . 1 1 A 156 156 ARG C C 178 177.178 176.119 1.059 2
1 739 . 1 1 A 156 156 ARG CA C 178 57.039 56.446 0.593 2
1 740 . 1 1 A 156 156 ARG CB C 178 30.576 30.662 -0.086 2
1 741 . 1 1 A 156 156 ARG N N 178 119.786 119.693 0.093 2
1 742 . 1 1 A 157 157 ASP H H 179 9.086 9.023 0.063 2
1 743 . 1 1 A 157 157 ASP C C 179 178.240 174.741 3.499 2
1 744 . 1 1 A 157 157 ASP CA C 179 55.503 55.217 0.286 2
1 745 . 1 1 A 157 157 ASP CB C 179 42.778 39.652 3.126 2
1 746 . 1 1 A 157 157 ASP N N 179 115.823 119.321 -3.498 2
1 747 . 1 1 A 158 158 THR H H 180 7.350 7.554 -0.204 2
1 748 . 1 1 A 158 158 THR C C 180 173.184 172.871 0.313 2
1 749 . 1 1 A 158 158 THR CA C 180 59.794 59.662 0.132 2
1 750 . 1 1 A 158 158 THR CB C 180 75.184 72.071 3.113 2
1 751 . 1 1 A 158 158 THR N N 180 105.847 107.974 -2.127 2
1 752 . 1 1 A 159 159 THR H H 181 8.486 8.761 -0.275 2
1 753 . 1 1 A 159 159 THR C C 181 173.029 172.473 0.556 2
1 754 . 1 1 A 159 159 THR CA C 181 59.660 60.122 -0.462 2
1 755 . 1 1 A 159 159 THR CB C 181 69.113 69.995 -0.882 2
1 756 . 1 1 A 159 159 THR N N 181 112.981 115.811 -2.830 2
1 757 . 1 1 A 160 160 THR H H 182 8.668 8.443 0.225 2
1 758 . 1 1 A 160 160 THR C C 182 174.388 174.808 -0.420 2
1 759 . 1 1 A 160 160 THR CA C 182 57.576 58.239 -0.663 2
1 760 . 1 1 A 160 160 THR N N 182 111.553 115.033 -3.480 2
1 761 . 1 1 A 161 161 PRO C C 183 179.026 179.062 -0.036 2
1 762 . 1 1 A 161 161 PRO CA C 183 65.608 65.671 -0.063 2
1 763 . 1 1 A 161 161 PRO CB C 183 31.640 31.630 0.010 2
1 764 . 1 1 A 162 162 LYS H H 184 8.324 8.249 0.075 2
1 765 . 1 1 A 162 162 LYS C C 184 178.493 179.329 -0.836 2
1 766 . 1 1 A 162 162 LYS CA C 184 59.522 59.627 -0.105 2
1 767 . 1 1 A 162 162 LYS CB C 184 33.334 32.125 1.209 2
1 768 . 1 1 A 162 162 LYS N N 184 116.742 117.697 -0.955 2
1 769 . 1 1 A 163 163 ALA H H 185 8.318 8.049 0.269 2
1 770 . 1 1 A 163 163 ALA C C 185 180.478 179.707 0.771 2
1 771 . 1 1 A 163 163 ALA CA C 185 55.317 55.035 0.282 2
1 772 . 1 1 A 163 163 ALA CB C 185 18.460 18.567 -0.107 2
1 773 . 1 1 A 163 163 ALA N N 185 124.463 121.858 2.605 2
1 774 . 1 1 A 164 164 ILE H H 186 8.226 8.017 0.209 2
1 775 . 1 1 A 164 164 ILE C C 186 176.939 178.008 -1.069 2
1 776 . 1 1 A 164 164 ILE CA C 186 61.725 63.684 -1.959 2
1 777 . 1 1 A 164 164 ILE CB C 186 36.961 37.410 -0.449 2
1 778 . 1 1 A 164 164 ILE N N 186 116.107 118.722 -2.615 2
1 779 . 1 1 A 165 165 ALA H H 187 7.148 8.575 -1.427 2
1 780 . 1 1 A 165 165 ALA C C 187 178.966 179.346 -0.380 2
1 781 . 1 1 A 165 165 ALA CA C 187 55.649 55.421 0.228 2
1 782 . 1 1 A 165 165 ALA CB C 187 18.102 17.997 0.105 2
1 783 . 1 1 A 165 165 ALA N N 187 124.608 124.472 0.136 2
1 784 . 1 1 A 166 166 SER H H 188 7.539 7.951 -0.412 2
1 785 . 1 1 A 166 166 SER C C 188 177.499 177.424 0.075 2
1 786 . 1 1 A 166 166 SER CA C 188 61.204 61.454 -0.250 2
1 787 . 1 1 A 166 166 SER CB C 188 62.837 62.962 -0.125 2
1 788 . 1 1 A 166 166 SER N N 188 111.408 113.307 -1.899 2
1 789 . 1 1 A 167 167 THR H H 189 8.766 7.857 0.909 2
1 790 . 1 1 A 167 167 THR C C 189 174.560 176.067 -1.507 2
1 791 . 1 1 A 167 167 THR CA C 189 67.142 66.640 0.502 2
1 792 . 1 1 A 167 167 THR N N 189 123.195 117.778 5.417 2
1 793 . 1 1 A 168 168 LEU H H 190 8.610 8.280 0.330 2
1 794 . 1 1 A 168 168 LEU C C 190 178.646 178.249 0.397 2
1 795 . 1 1 A 168 168 LEU CA C 190 58.834 58.223 0.611 2
1 796 . 1 1 A 168 168 LEU CB C 190 41.412 41.587 -0.175 2
1 797 . 1 1 A 168 168 LEU N N 190 120.808 121.271 -0.463 2
1 798 . 1 1 A 169 169 ASN H H 191 7.862 8.339 -0.477 2
1 799 . 1 1 A 169 169 ASN C C 191 177.317 178.015 -0.698 2
1 800 . 1 1 A 169 169 ASN CA C 191 56.991 57.086 -0.095 2
1 801 . 1 1 A 169 169 ASN CB C 191 39.239 39.738 -0.499 2
1 802 . 1 1 A 169 169 ASN N N 191 116.161 117.604 -1.443 2
1 803 . 1 1 A 170 170 LYS H H 192 7.812 7.763 0.049 2
1 804 . 1 1 A 170 170 LYS C C 192 179.058 179.560 -0.502 2
1 805 . 1 1 A 170 170 LYS CA C 192 60.053 59.015 1.038 2
1 806 . 1 1 A 170 170 LYS CB C 192 32.037 32.121 -0.084 2
1 807 . 1 1 A 170 170 LYS N N 192 118.839 118.224 0.615 2
1 808 . 1 1 A 171 171 PHE H H 193 7.811 8.127 -0.316 2
1 809 . 1 1 A 171 171 PHE C C 193 176.771 178.302 -1.531 2
1 810 . 1 1 A 171 171 PHE CA C 193 57.793 60.406 -2.613 2
1 811 . 1 1 A 171 171 PHE CB C 193 38.837 38.954 -0.117 2
1 812 . 1 1 A 171 171 PHE N N 193 114.256 119.303 -5.047 2
1 813 . 1 1 A 172 172 LEU H H 194 8.057 8.111 -0.054 2
1 814 . 1 1 A 172 172 LEU C C 194 176.611 178.006 -1.395 2
1 815 . 1 1 A 172 172 LEU CA C 194 56.795 56.851 -0.056 2
1 816 . 1 1 A 172 172 LEU CB C 194 42.737 41.955 0.782 2
1 817 . 1 1 A 172 172 LEU N N 194 115.409 118.595 -3.186 2
1 818 . 1 1 A 173 173 PHE H H 195 7.814 7.913 -0.099 2
1 819 . 1 1 A 173 173 PHE C C 195 176.975 175.842 1.133 2
1 820 . 1 1 A 173 173 PHE CA C 195 56.593 58.214 -1.621 2
1 821 . 1 1 A 173 173 PHE CB C 195 40.494 40.390 0.104 2
1 822 . 1 1 A 173 173 PHE N N 195 112.606 113.886 -1.280 2
1 823 . 1 1 A 174 174 GLY H H 196 7.438 7.861 -0.423 2
1 824 . 1 1 A 174 174 GLY C C 196 174.202 174.693 -0.491 2
1 825 . 1 1 A 174 174 GLY CA C 196 45.352 44.450 0.902 2
1 826 . 1 1 A 174 174 GLY N N 196 110.207 107.803 2.404 2
1 827 . 1 1 A 175 175 SER H H 197 8.681 8.387 0.294 2
1 828 . 1 1 A 175 175 SER C C 197 175.242 175.651 -0.409 2
1 829 . 1 1 A 175 175 SER CA C 197 58.020 57.541 0.479 2
1 830 . 1 1 A 175 175 SER CB C 197 64.048 63.340 0.708 2
1 831 . 1 1 A 175 175 SER N N 197 113.921 113.522 0.399 2
1 832 . 1 1 A 176 176 ALA H H 198 7.456 8.178 -0.722 2
1 833 . 1 1 A 176 176 ALA C C 198 176.187 177.653 -1.466 2
1 834 . 1 1 A 176 176 ALA CA C 198 55.289 55.001 0.288 2
1 835 . 1 1 A 176 176 ALA CB C 198 19.233 19.069 0.164 2
1 836 . 1 1 A 176 176 ALA N N 198 122.767 124.392 -1.625 2
1 837 . 1 1 A 177 177 LEU H H 199 7.993 7.801 0.192 2
1 838 . 1 1 A 177 177 LEU C C 199 176.143 176.791 -0.648 2
1 839 . 1 1 A 177 177 LEU CA C 199 52.246 53.028 -0.782 2
1 840 . 1 1 A 177 177 LEU CB C 199 46.917 44.210 2.707 2
1 841 . 1 1 A 177 177 LEU N N 199 113.538 118.059 -4.521 2
1 842 . 1 1 A 178 178 SER H H 200 10.428 8.561 1.867 2
1 843 . 1 1 A 178 178 SER C C 200 175.215 175.855 -0.640 2
1 844 . 1 1 A 178 178 SER CA C 200 57.869 56.995 0.874 2
1 845 . 1 1 A 178 178 SER CB C 200 64.769 65.368 -0.599 2
1 846 . 1 1 A 178 178 SER N N 200 118.533 116.325 2.208 2
1 847 . 1 1 A 179 179 GLU H H 201 8.853 9.158 -0.305 2
1 848 . 1 1 A 179 179 GLU C C 201 178.894 178.594 0.300 2
1 849 . 1 1 A 179 179 GLU CA C 201 60.039 59.627 0.412 2
1 850 . 1 1 A 179 179 GLU CB C 201 29.367 29.271 0.096 2
1 851 . 1 1 A 179 179 GLU N N 201 122.566 120.690 1.876 2
1 852 . 1 1 A 180 180 MET H H 202 8.389 8.147 0.242 2
1 853 . 1 1 A 180 180 MET C C 202 178.992 178.654 0.338 2
1 854 . 1 1 A 180 180 MET CA C 202 58.637 59.121 -0.484 2
1 855 . 1 1 A 180 180 MET CB C 202 32.037 32.569 -0.532 2
1 856 . 1 1 A 180 180 MET N N 202 115.549 119.467 -3.918 2
1 857 . 1 1 A 181 181 ASN H H 203 7.502 7.992 -0.490 2
1 858 . 1 1 A 181 181 ASN C C 203 177.236 178.621 -1.385 2
1 859 . 1 1 A 181 181 ASN CA C 203 54.592 55.770 -1.178 2
1 860 . 1 1 A 181 181 ASN CB C 203 38.597 37.794 0.803 2
1 861 . 1 1 A 181 181 ASN N N 203 119.515 117.455 2.060 2
1 862 . 1 1 A 182 182 GLN H H 204 8.895 8.086 0.809 2
1 863 . 1 1 A 182 182 GLN C C 204 178.577 178.660 -0.083 2
1 864 . 1 1 A 182 182 GLN CA C 204 60.033 58.804 1.229 2
1 865 . 1 1 A 182 182 GLN CB C 204 27.617 28.146 -0.529 2
1 866 . 1 1 A 182 182 GLN N N 204 123.825 120.648 3.177 2
1 867 . 1 1 A 183 183 LYS H H 205 7.621 7.905 -0.284 2
1 868 . 1 1 A 183 183 LYS C C 205 179.565 177.687 1.878 2
1 869 . 1 1 A 183 183 LYS CA C 205 57.940 59.226 -1.286 2
1 870 . 1 1 A 183 183 LYS CB C 205 31.508 31.932 -0.424 2
1 872 . 1 1 A 183 183 LYS N N 205 115.890 120.707 -4.817 2
1 873 . 1 1 A 184 184 LYS H H 206 7.476 7.755 -0.279 2
1 874 . 1 1 A 184 184 LYS C C 206 177.551 178.407 -0.856 2
1 875 . 1 1 A 184 184 LYS CA C 206 59.175 59.185 -0.010 2
1 876 . 1 1 A 184 184 LYS CB C 206 31.971 31.837 0.134 2
1 878 . 1 1 A 184 184 LYS N N 206 123.051 119.060 3.991 2
1 879 . 1 1 A 185 185 LEU H H 207 7.893 8.125 -0.232 2
1 880 . 1 1 A 185 185 LEU C C 207 178.259 178.407 -0.148 2
1 881 . 1 1 A 185 185 LEU CA C 207 57.875 57.914 -0.039 2
1 882 . 1 1 A 185 185 LEU CB C 207 41.736 41.686 0.050 2
1 883 . 1 1 A 185 185 LEU N N 207 120.463 120.638 -0.175 2
1 884 . 1 1 A 186 186 GLU H H 208 8.272 8.580 -0.308 2
1 885 . 1 1 A 186 186 GLU C C 208 178.448 178.454 -0.006 2
1 886 . 1 1 A 186 186 GLU CA C 208 60.244 59.960 0.284 2
1 887 . 1 1 A 186 186 GLU CB C 208 30.412 29.482 0.930 2
1 888 . 1 1 A 186 186 GLU N N 208 116.970 119.957 -2.987 2
1 889 . 1 1 A 187 187 SER H H 209 8.224 7.929 0.295 2
1 890 . 1 1 A 187 187 SER C C 209 177.622 177.360 0.262 2
1 891 . 1 1 A 187 187 SER CA C 209 61.981 61.302 0.679 2
1 892 . 1 1 A 187 187 SER N N 209 114.783 113.371 1.412 2
1 893 . 1 1 A 188 188 TRP H H 210 7.913 7.938 -0.025 2
1 894 . 1 1 A 188 188 TRP C C 210 176.308 179.173 -2.865 2
1 895 . 1 1 A 188 188 TRP CA C 210 58.389 59.657 -1.268 2
1 896 . 1 1 A 188 188 TRP CB C 210 28.799 29.424 -0.625 2
1 897 . 1 1 A 188 188 TRP N N 210 123.167 121.808 1.359 2
1 898 . 1 1 A 189 189 MET H H 211 7.524 8.275 -0.751 2
1 899 . 1 1 A 189 189 MET C C 211 180.738 178.657 2.081 2
1 900 . 1 1 A 189 189 MET CA C 211 58.592 58.678 -0.086 2
1 901 . 1 1 A 189 189 MET CB C 211 36.316 32.500 3.816 2
1 902 . 1 1 A 189 189 MET N N 211 113.620 118.448 -4.828 2
1 903 . 1 1 A 190 190 VAL H H 212 9.404 8.072 1.332 2
1 904 . 1 1 A 190 190 VAL C C 212 178.741 176.850 1.891 2
1 905 . 1 1 A 190 190 VAL CA C 212 66.367 66.604 -0.237 2
1 906 . 1 1 A 190 190 VAL CB C 212 32.860 31.596 1.264 2
1 907 . 1 1 A 190 190 VAL N N 212 124.657 119.929 4.728 2
1 908 . 1 1 A 191 191 ASN H H 213 7.929 7.699 0.230 2
1 909 . 1 1 A 191 191 ASN C C 213 173.259 174.723 -1.464 2
1 910 . 1 1 A 191 191 ASN CA C 213 54.208 53.005 1.203 2
1 911 . 1 1 A 191 191 ASN CB C 213 38.680 38.865 -0.185 2
1 912 . 1 1 A 191 191 ASN N N 213 115.803 116.133 -0.330 2
1 913 . 1 1 A 192 192 ASN H H 214 6.903 7.616 -0.713 2
1 914 . 1 1 A 192 192 ASN C C 214 177.400 175.366 2.034 2
1 915 . 1 1 A 192 192 ASN CA C 214 55.379 53.878 1.501 2
1 916 . 1 1 A 192 192 ASN CB C 214 39.277 39.414 -0.137 2
1 917 . 1 1 A 192 192 ASN N N 214 118.351 120.473 -2.122 2
1 918 . 1 1 A 193 193 GLN H H 215 9.440 9.004 0.436 2
1 919 . 1 1 A 193 193 GLN C C 215 178.982 176.576 2.406 2
1 920 . 1 1 A 193 193 GLN CA C 215 56.283 56.033 0.250 2
1 921 . 1 1 A 193 193 GLN CB C 215 30.792 29.611 1.181 2
1 922 . 1 1 A 193 193 GLN N N 215 125.944 125.269 0.675 2
1 923 . 1 1 A 194 194 VAL H H 216 8.339 7.352 0.987 2
1 924 . 1 1 A 194 194 VAL C C 216 176.607 176.515 0.092 2
1 925 . 1 1 A 194 194 VAL CA C 216 61.677 60.549 1.128 2
1 926 . 1 1 A 194 194 VAL CB C 216 31.995 31.410 0.585 2
1 927 . 1 1 A 194 194 VAL N N 216 112.368 110.395 1.973 2
1 928 . 1 1 A 195 195 THR H H 217 8.004 7.636 0.368 2
1 929 . 1 1 A 195 195 THR C C 217 177.411 175.829 1.582 2
1 930 . 1 1 A 195 195 THR CA C 217 60.656 60.792 -0.136 2
1 931 . 1 1 A 195 195 THR CB C 217 67.881 69.014 -1.133 2
1 932 . 1 1 A 195 195 THR N N 217 109.253 113.057 -3.804 2
1 933 . 1 1 A 196 196 GLY H H 218 9.141 8.527 0.614 2
1 934 . 1 1 A 196 196 GLY C C 218 172.784 174.855 -2.071 2
1 935 . 1 1 A 196 196 GLY CA C 218 47.801 47.131 0.670 2
1 936 . 1 1 A 196 196 GLY N N 218 116.141 111.115 5.026 2
1 937 . 1 1 A 197 197 ASN H H 219 8.127 8.220 -0.093 2
1 938 . 1 1 A 197 197 ASN C C 219 174.642 174.915 -0.273 2
1 939 . 1 1 A 197 197 ASN CA C 219 52.473 52.661 -0.188 2
1 940 . 1 1 A 197 197 ASN CB C 219 37.022 37.340 -0.318 2
1 941 . 1 1 A 197 197 ASN N N 219 113.177 116.230 -3.053 2
1 942 . 1 1 A 198 198 LEU H H 220 7.214 7.491 -0.277 2
1 943 . 1 1 A 198 198 LEU C C 220 177.449 177.458 -0.009 2
1 944 . 1 1 A 198 198 LEU CA C 220 52.055 53.800 -1.745 2
1 945 . 1 1 A 198 198 LEU CB C 220 40.720 43.509 -2.789 2
1 946 . 1 1 A 198 198 LEU N N 220 116.180 119.977 -3.797 2
1 947 . 1 1 A 199 199 LEU H H 221 7.099 8.547 -1.448 2
1 948 . 1 1 A 199 199 LEU C C 221 178.274 179.449 -1.175 2
1 949 . 1 1 A 199 199 LEU CA C 221 58.047 57.968 0.079 2
1 950 . 1 1 A 199 199 LEU CB C 221 41.608 41.791 -0.183 2
1 951 . 1 1 A 199 199 LEU N N 221 126.064 122.763 3.301 2
1 952 . 1 1 A 200 200 ARG H H 222 8.824 8.401 0.423 2
1 953 . 1 1 A 200 200 ARG C C 222 176.891 178.686 -1.795 2
1 954 . 1 1 A 200 200 ARG CA C 222 60.161 59.787 0.374 2
1 955 . 1 1 A 200 200 ARG CB C 222 30.166 30.046 0.120 2
1 956 . 1 1 A 200 200 ARG N N 222 116.526 119.683 -3.157 2
1 957 . 1 1 A 201 201 SER H H 223 7.468 8.080 -0.612 2
1 958 . 1 1 A 201 201 SER C C 223 174.764 175.161 -0.397 2
1 959 . 1 1 A 201 201 SER CA C 223 61.188 60.781 0.407 2
1 960 . 1 1 A 201 201 SER CB C 223 63.997 63.029 0.968 2
1 961 . 1 1 A 201 201 SER N N 223 112.785 116.193 -3.408 2
1 962 . 1 1 A 202 202 VAL H H 224 7.212 7.244 -0.032 2
1 963 . 1 1 A 202 202 VAL C C 224 173.681 175.728 -2.047 2
1 964 . 1 1 A 202 202 VAL CA C 224 59.718 60.393 -0.675 2
1 965 . 1 1 A 202 202 VAL CB C 224 32.103 32.009 0.094 2
1 966 . 1 1 A 202 202 VAL N N 224 112.658 113.023 -0.365 2
1 967 . 1 1 A 203 203 LEU H H 225 6.642 7.358 -0.716 2
1 968 . 1 1 A 203 203 LEU C C 225 174.609 175.598 -0.989 2
1 969 . 1 1 A 203 203 LEU CA C 225 52.847 53.065 -0.218 2
1 970 . 1 1 A 203 203 LEU CB C 225 43.995 42.851 1.144 2
1 971 . 1 1 A 203 203 LEU N N 225 125.608 125.588 0.020 2
1 972 . 1 1 A 204 204 PRO C C 226 175.613 176.778 -1.165 2
1 973 . 1 1 A 204 204 PRO CA C 226 62.295 62.411 -0.116 2
1 974 . 1 1 A 204 204 PRO CB C 226 30.650 31.151 -0.501 2
1 975 . 1 1 A 205 205 ALA H H 227 8.157 8.387 -0.230 2
1 976 . 1 1 A 205 205 ALA C C 227 179.259 178.214 1.045 2
1 977 . 1 1 A 205 205 ALA CA C 227 53.584 54.365 -0.781 2
1 978 . 1 1 A 205 205 ALA CB C 227 18.028 18.118 -0.090 2
1 979 . 1 1 A 205 205 ALA N N 227 124.379 126.926 -2.547 2
1 980 . 1 1 A 206 206 GLY H H 228 8.665 8.689 -0.024 2
1 981 . 1 1 A 206 206 GLY C C 228 174.820 174.403 0.417 2
1 982 . 1 1 A 206 206 GLY CA C 228 45.479 45.510 -0.031 2
1 983 . 1 1 A 206 206 GLY N N 228 110.763 110.051 0.712 2
1 984 . 1 1 A 207 207 TRP H H 229 7.946 7.817 0.129 2
1 985 . 1 1 A 207 207 TRP C C 229 174.331 175.760 -1.429 2
1 986 . 1 1 A 207 207 TRP CA C 229 57.292 57.104 0.188 2
1 987 . 1 1 A 207 207 TRP CB C 229 28.999 30.253 -1.254 2
1 988 . 1 1 A 207 207 TRP N N 229 121.639 120.886 0.753 2
1 989 . 1 1 A 208 208 ASN H H 230 8.766 8.738 0.028 2
1 990 . 1 1 A 208 208 ASN C C 230 172.176 173.938 -1.762 2
1 991 . 1 1 A 208 208 ASN CA C 230 51.754 51.352 0.402 2
1 992 . 1 1 A 208 208 ASN CB C 230 40.969 40.624 0.345 2
1 993 . 1 1 A 208 208 ASN N N 230 117.921 118.320 -0.399 2
1 994 . 1 1 A 209 209 ILE H H 231 7.972 8.612 -0.640 2
1 995 . 1 1 A 209 209 ILE C C 231 170.395 173.157 -2.762 2
1 996 . 1 1 A 209 209 ILE CA C 231 58.857 59.436 -0.579 2
1 997 . 1 1 A 209 209 ILE CB C 231 40.408 41.998 -1.590 2
1 998 . 1 1 A 209 209 ILE N N 231 114.763 121.405 -6.642 2
1 999 . 1 1 A 210 210 ALA H H 232 9.058 8.937 0.121 2
1 1000 . 1 1 A 210 210 ALA C C 232 175.974 175.619 0.355 2
1 1001 . 1 1 A 210 210 ALA CA C 232 50.144 50.562 -0.418 2
1 1002 . 1 1 A 210 210 ALA CB C 232 21.933 21.602 0.331 2
1 1003 . 1 1 A 210 210 ALA N N 232 129.128 130.819 -1.691 2
1 1004 . 1 1 A 211 211 ASP H H 233 8.289 9.190 -0.901 2
1 1005 . 1 1 A 211 211 ASP C C 233 174.577 174.035 0.542 2
1 1006 . 1 1 A 211 211 ASP CA C 233 53.754 52.962 0.792 2
1 1007 . 1 1 A 211 211 ASP CB C 233 44.535 45.551 -1.016 2
1 1008 . 1 1 A 211 211 ASP N N 233 120.964 121.321 -0.357 2
1 1009 . 1 1 A 212 212 ARG H H 234 7.845 8.800 -0.955 2
1 1010 . 1 1 A 212 212 ARG C C 234 172.791 174.480 -1.689 2
1 1011 . 1 1 A 212 212 ARG CA C 234 57.972 55.301 2.671 2
1 1012 . 1 1 A 212 212 ARG CB C 234 33.964 33.939 0.025 2
1 1013 . 1 1 A 212 212 ARG N N 234 118.950 121.040 -2.090 2
1 1014 . 1 1 A 213 213 SER H H 235 8.665 8.893 -0.228 2
1 1015 . 1 1 A 213 213 SER C C 235 172.472 174.000 -1.528 2
1 1016 . 1 1 A 213 213 SER CA C 235 57.490 56.348 1.142 2
1 1017 . 1 1 A 213 213 SER CB C 235 67.931 65.930 2.001 2
1 1018 . 1 1 A 213 213 SER N N 235 124.914 119.032 5.882 2
1 1019 . 1 1 A 214 214 GLY H H 236 8.627 8.458 0.169 2
1 1020 . 1 1 A 214 214 GLY C C 236 173.000 172.280 0.720 2
1 1021 . 1 1 A 214 214 GLY CA C 236 45.965 45.617 0.348 2
1 1022 . 1 1 A 214 214 GLY N N 236 103.849 107.076 -3.227 2
1 1023 . 1 1 A 215 215 ALA C C 237 176.039 175.596 0.443 2
1 1024 . 1 1 A 215 215 ALA CA C 237 51.965 51.332 0.633 2
1 1025 . 1 1 A 215 215 ALA CB C 237 22.993 23.421 -0.428 2
1 1034 . 1 1 A 218 218 PHE H H 241 8.505 9.352 -0.847 2
1 1035 . 1 1 A 218 218 PHE C C 241 175.329 176.257 -0.928 2
1 1036 . 1 1 A 218 218 PHE CA C 241 59.392 58.848 0.544 2
1 1037 . 1 1 A 218 218 PHE CB C 241 36.464 36.889 -0.425 2
1 1038 . 1 1 A 218 218 PHE N N 241 115.393 120.780 -5.387 2
1 1039 . 1 1 A 219 219 GLY H H 242 8.532 8.733 -0.201 2
1 1040 . 1 1 A 219 219 GLY C C 242 174.611 174.533 0.078 2
1 1041 . 1 1 A 219 219 GLY CA C 242 45.660 45.757 -0.097 2
1 1042 . 1 1 A 219 219 GLY N N 242 103.081 104.861 -1.780 2
1 1043 . 1 1 A 220 220 ALA H H 243 7.545 8.005 -0.460 2
1 1044 . 1 1 A 220 220 ALA C C 243 179.200 176.864 2.336 2
1 1045 . 1 1 A 220 220 ALA CA C 243 53.106 52.690 0.416 2
1 1046 . 1 1 A 220 220 ALA CB C 243 17.332 19.695 -2.363 2
1 1047 . 1 1 A 220 220 ALA N N 243 123.551 123.785 -0.234 2
1 1048 . 1 1 A 221 221 ARG H H 244 8.572 8.494 0.078 2
1 1049 . 1 1 A 221 221 ARG C C 244 173.796 174.217 -0.421 2
1 1050 . 1 1 A 221 221 ARG CA C 244 55.217 55.373 -0.156 2
1 1051 . 1 1 A 221 221 ARG CB C 244 33.640 33.988 -0.348 2
1 1052 . 1 1 A 221 221 ARG N N 244 123.904 122.766 1.138 2
1 1053 . 1 1 A 222 222 SER H H 245 8.742 8.723 0.019 2
1 1054 . 1 1 A 222 222 SER C C 245 174.070 172.711 1.359 2
1 1055 . 1 1 A 222 222 SER CA C 245 56.604 57.329 -0.725 2
1 1056 . 1 1 A 222 222 SER CB C 245 67.315 65.756 1.559 2
1 1057 . 1 1 A 222 222 SER N N 245 118.211 118.103 0.108 2
1 1058 . 1 1 A 223 223 ILE H H 246 8.802 8.610 0.192 2
1 1059 . 1 1 A 223 223 ILE C C 246 171.242 173.458 -2.216 2
1 1060 . 1 1 A 223 223 ILE CA C 246 60.792 59.971 0.821 2
1 1061 . 1 1 A 223 223 ILE CB C 246 41.769 41.505 0.264 2
1 1062 . 1 1 A 223 223 ILE N N 246 114.648 121.147 -6.499 2
1 1063 . 1 1 A 224 224 THR H H 247 8.638 8.732 -0.094 2
1 1064 . 1 1 A 224 224 THR C C 247 174.921 173.955 0.966 2
1 1065 . 1 1 A 224 224 THR CA C 247 57.493 60.473 -2.980 2
1 1066 . 1 1 A 224 224 THR CB C 247 71.782 71.035 0.747 2
1 1067 . 1 1 A 224 224 THR N N 247 114.146 118.852 -4.706 2
1 1068 . 1 1 A 225 225 ALA H H 248 10.176 8.931 1.245 2
1 1069 . 1 1 A 225 225 ALA C C 248 173.474 175.421 -1.947 2
1 1070 . 1 1 A 225 225 ALA CA C 248 49.896 51.035 -1.139 2
1 1071 . 1 1 A 225 225 ALA CB C 248 24.442 24.081 0.361 2
1 1072 . 1 1 A 225 225 ALA N N 248 128.458 125.514 2.944 2
1 1073 . 1 1 A 226 226 VAL H H 249 9.563 8.472 1.091 2
1 1074 . 1 1 A 226 226 VAL C C 249 175.684 175.601 0.083 2
1 1075 . 1 1 A 226 226 VAL CA C 249 61.027 61.301 -0.274 2
1 1076 . 1 1 A 226 226 VAL CB C 249 33.896 34.944 -1.048 2
1 1077 . 1 1 A 226 226 VAL N N 249 122.214 119.735 2.479 2
1 1078 . 1 1 A 227 227 VAL H H 250 9.390 8.923 0.467 2
1 1079 . 1 1 A 227 227 VAL C C 250 174.559 174.563 -0.004 2
1 1080 . 1 1 A 227 227 VAL CA C 250 58.878 59.521 -0.643 2
1 1081 . 1 1 A 227 227 VAL CB C 250 35.358 35.233 0.125 2
1 1082 . 1 1 A 227 227 VAL N N 250 119.384 121.323 -1.939 2
1 1083 . 1 1 A 228 228 TRP H H 251 8.202 8.821 -0.619 2
1 1084 . 1 1 A 228 228 TRP C C 251 171.788 173.822 -2.034 2
1 1085 . 1 1 A 228 228 TRP CA C 251 57.205 55.362 1.843 2
1 1086 . 1 1 A 228 228 TRP CB C 251 31.379 31.482 -0.103 2
1 1087 . 1 1 A 228 228 TRP N N 251 119.863 120.862 -0.999 2
1 1098 . 1 1 A 231 231 HIS H H 255 7.835 7.782 0.053 2
1 1099 . 1 1 A 231 231 HIS C C 255 173.190 174.542 -1.352 2
1 1100 . 1 1 A 231 231 HIS CA C 255 54.913 55.136 -0.223 2
1 1101 . 1 1 A 231 231 HIS CB C 255 30.620 30.062 0.558 2
1 1102 . 1 1 A 231 231 HIS N N 255 112.999 113.161 -0.162 2
1 1103 . 1 1 A 232 232 GLN H H 256 7.305 7.430 -0.125 2
1 1104 . 1 1 A 232 232 GLN C C 256 173.289 174.293 -1.004 2
1 1105 . 1 1 A 232 232 GLN CA C 256 54.126 54.143 -0.017 2
1 1106 . 1 1 A 232 232 GLN CB C 256 29.845 31.414 -1.569 2
1 1107 . 1 1 A 232 232 GLN N N 256 122.758 120.162 2.596 2
1 1108 . 1 1 A 233 233 ALA H H 257 8.394 8.647 -0.253 2
1 1109 . 1 1 A 233 233 ALA C C 257 174.582 176.064 -1.482 2
1 1110 . 1 1 A 233 233 ALA CA C 257 50.968 51.051 -0.083 2
1 1111 . 1 1 A 233 233 ALA CB C 257 17.216 17.620 -0.404 2
1 1112 . 1 1 A 233 233 ALA N N 257 131.346 130.109 1.237 2
1 1113 . 1 1 A 234 234 PRO C C 258 176.066 175.788 0.278 2
1 1114 . 1 1 A 234 234 PRO CA C 258 63.637 63.275 0.362 2
1 1115 . 1 1 A 234 234 PRO CB C 258 31.717 31.794 -0.077 2
1 1116 . 1 1 A 235 235 ILE H H 259 9.396 8.526 0.870 2
1 1117 . 1 1 A 235 235 ILE C C 259 175.461 174.761 0.700 2
1 1118 . 1 1 A 235 235 ILE CA C 259 59.130 59.687 -0.557 2
1 1119 . 1 1 A 235 235 ILE CB C 259 40.888 41.166 -0.278 2
1 1120 . 1 1 A 235 235 ILE N N 259 126.221 123.838 2.383 2
1 1121 . 1 1 A 236 236 ILE H H 260 9.434 9.008 0.426 2
1 1122 . 1 1 A 236 236 ILE C C 260 175.122 175.578 -0.456 2
1 1123 . 1 1 A 236 236 ILE CA C 260 60.809 59.861 0.948 2
1 1124 . 1 1 A 236 236 ILE CB C 260 39.320 39.328 -0.008 2
1 1125 . 1 1 A 236 236 ILE N N 260 125.637 127.916 -2.279 2
1 1126 . 1 1 A 237 237 VAL H H 261 9.818 8.795 1.023 2
1 1127 . 1 1 A 237 237 VAL C C 261 174.375 174.624 -0.249 2
1 1128 . 1 1 A 237 237 VAL CA C 261 60.892 60.836 0.056 2
1 1129 . 1 1 A 237 237 VAL CB C 261 35.374 34.670 0.704 2
1 1130 . 1 1 A 237 237 VAL N N 261 127.475 128.462 -0.987 2
1 1131 . 1 1 A 238 238 SER H H 262 9.284 9.004 0.280 2
1 1132 . 1 1 A 238 238 SER C C 262 172.891 173.417 -0.526 2
1 1133 . 1 1 A 238 238 SER CA C 262 56.948 56.749 0.199 2
1 1134 . 1 1 A 238 238 SER CB C 262 65.725 65.132 0.593 2
1 1135 . 1 1 A 238 238 SER N N 262 123.270 122.782 0.488 2
1 1136 . 1 1 A 239 239 ILE H H 263 8.785 8.886 -0.101 2
1 1137 . 1 1 A 239 239 ILE C C 263 172.931 174.437 -1.506 2
1 1138 . 1 1 A 239 239 ILE CA C 263 61.066 60.365 0.701 2
1 1139 . 1 1 A 239 239 ILE CB C 263 41.821 40.764 1.057 2
1 1140 . 1 1 A 239 239 ILE N N 263 122.264 127.813 -5.549 2
1 1141 . 1 1 A 240 240 TYR H H 264 9.374 8.919 0.455 2
1 1142 . 1 1 A 240 240 TYR C C 264 172.458 175.000 -2.542 2
1 1143 . 1 1 A 240 240 TYR CA C 264 57.421 56.090 1.331 2
1 1144 . 1 1 A 240 240 TYR CB C 264 42.098 41.901 0.197 2
1 1145 . 1 1 A 240 240 TYR N N 264 125.862 125.444 0.418 2
1 1146 . 1 1 A 241 241 LEU H H 265 9.046 8.996 0.050 2
1 1147 . 1 1 A 241 241 LEU C C 265 177.099 175.324 1.775 2
1 1148 . 1 1 A 241 241 LEU CA C 265 54.190 53.372 0.818 2
1 1149 . 1 1 A 241 241 LEU CB C 265 45.595 45.697 -0.102 2
1 1150 . 1 1 A 241 241 LEU N N 265 119.852 123.107 -3.255 2
1 1151 . 1 1 A 242 242 ALA H H 266 9.455 8.594 0.861 2
1 1152 . 1 1 A 242 242 ALA C C 266 174.309 175.695 -1.386 2
1 1153 . 1 1 A 242 242 ALA CA C 266 52.093 51.080 1.013 2
1 1154 . 1 1 A 242 242 ALA CB C 266 23.741 23.298 0.443 2
1 1155 . 1 1 A 242 242 ALA N N 266 123.755 123.530 0.225 2
1 1156 . 1 1 A 243 243 GLN H H 267 8.746 8.619 0.127 2
1 1157 . 1 1 A 243 243 GLN C C 267 173.549 174.438 -0.889 2
1 1158 . 1 1 A 243 243 GLN CA C 267 56.611 56.928 -0.317 2
1 1159 . 1 1 A 243 243 GLN CB C 267 25.689 27.003 -1.314 2
1 1160 . 1 1 A 243 243 GLN N N 267 117.726 115.059 2.667 2
1 1161 . 1 1 A 244 244 THR H H 268 8.257 7.878 0.379 2
1 1162 . 1 1 A 244 244 THR C C 268 173.634 172.970 0.664 2
1 1163 . 1 1 A 244 244 THR CA C 268 59.287 60.387 -1.100 2
1 1164 . 1 1 A 244 244 THR CB C 268 69.252 71.039 -1.787 2
1 1165 . 1 1 A 244 244 THR N N 268 111.535 113.211 -1.676 2
1 1166 . 1 1 A 245 245 GLN H H 269 8.988 8.781 0.207 2
1 1167 . 1 1 A 245 245 GLN C C 269 175.478 176.154 -0.676 2
1 1168 . 1 1 A 245 245 GLN CA C 269 55.727 56.139 -0.412 2
1 1169 . 1 1 A 245 245 GLN CB C 269 28.976 29.377 -0.401 2
1 1170 . 1 1 A 245 245 GLN N N 269 127.498 123.564 3.934 2
1 1171 . 1 1 A 246 246 ALA H H 270 8.305 7.445 0.860 2
1 1172 . 1 1 A 246 246 ALA C C 270 177.795 177.449 0.346 2
1 1173 . 1 1 A 246 246 ALA CA C 270 52.752 52.712 0.040 2
1 1174 . 1 1 A 246 246 ALA CB C 270 20.895 19.204 1.691 2
1 1175 . 1 1 A 246 246 ALA N N 270 124.314 124.198 0.116 2
1 1176 . 1 1 A 247 247 SER H H 271 9.005 8.692 0.313 2
1 1177 . 1 1 A 247 247 SER C C 271 175.405 175.266 0.139 2
1 1178 . 1 1 A 247 247 SER CA C 271 58.097 57.454 0.643 2
1 1179 . 1 1 A 247 247 SER CB C 271 65.170 65.341 -0.171 2
1 1180 . 1 1 A 247 247 SER N N 271 119.595 114.353 5.242 2
1 1181 . 1 1 A 248 248 MET H H 272 9.210 8.740 0.470 2
1 1182 . 1 1 A 248 248 MET C C 272 177.558 177.886 -0.328 2
1 1183 . 1 1 A 248 248 MET CA C 272 58.047 58.300 -0.253 2
1 1184 . 1 1 A 248 248 MET CB C 272 30.708 31.905 -1.197 2
1 1185 . 1 1 A 248 248 MET N N 272 122.412 121.040 1.372 2
1 1186 . 1 1 A 249 249 GLU H H 273 8.895 8.298 0.597 2
1 1187 . 1 1 A 249 249 GLU C C 273 179.057 179.155 -0.098 2
1 1188 . 1 1 A 249 249 GLU CA C 273 60.893 59.342 1.551 2
1 1189 . 1 1 A 249 249 GLU CB C 273 28.773 29.069 -0.296 2
1 1190 . 1 1 A 249 249 GLU N N 273 117.975 120.515 -2.540 2
1 1191 . 1 1 A 250 250 GLU H H 274 7.723 8.187 -0.464 2
1 1192 . 1 1 A 250 250 GLU C C 274 180.262 179.199 1.063 2
1 1193 . 1 1 A 250 250 GLU CA C 274 59.250 58.764 0.486 2
1 1194 . 1 1 A 250 250 GLU CB C 274 30.437 29.352 1.085 2
1 1195 . 1 1 A 250 250 GLU N N 274 119.211 119.431 -0.220 2
1 1196 . 1 1 A 251 251 ARG H H 275 8.255 7.826 0.429 2
1 1197 . 1 1 A 251 251 ARG C C 275 177.264 178.724 -1.460 2
1 1198 . 1 1 A 251 251 ARG CA C 275 60.505 58.764 1.741 2
1 1199 . 1 1 A 251 251 ARG CB C 275 30.644 29.727 0.917 2
1 1200 . 1 1 A 251 251 ARG N N 275 119.753 119.286 0.467 2
1 1201 . 1 1 A 252 252 ASN H H 276 8.908 8.001 0.907 2
1 1202 . 1 1 A 252 252 ASN C C 276 177.138 177.316 -0.178 2
1 1203 . 1 1 A 252 252 ASN CA C 276 55.652 56.290 -0.638 2
1 1204 . 1 1 A 252 252 ASN CB C 276 37.005 37.982 -0.977 2
1 1205 . 1 1 A 252 252 ASN N N 276 119.597 118.268 1.329 2
1 1206 . 1 1 A 253 253 ASP H H 277 8.126 8.342 -0.216 2
1 1207 . 1 1 A 253 253 ASP C C 277 177.953 178.087 -0.134 2
1 1208 . 1 1 A 253 253 ASP CA C 277 57.059 57.989 -0.930 2
1 1209 . 1 1 A 253 253 ASP CB C 277 40.890 42.083 -1.193 2
1 1210 . 1 1 A 253 253 ASP N N 277 118.574 119.588 -1.014 2
1 1211 . 1 1 A 254 254 ALA H H 278 7.696 7.693 0.003 2
1 1212 . 1 1 A 254 254 ALA C C 278 178.867 179.961 -1.094 2
1 1213 . 1 1 A 254 254 ALA CA C 278 55.245 55.145 0.100 2
1 1214 . 1 1 A 254 254 ALA CB C 278 19.383 18.427 0.956 2
1 1215 . 1 1 A 254 254 ALA N N 278 121.408 121.447 -0.039 2
1 1216 . 1 1 A 255 255 ILE H H 279 7.437 7.851 -0.414 2
1 1217 . 1 1 A 255 255 ILE C C 279 177.349 178.058 -0.709 2
1 1218 . 1 1 A 255 255 ILE CA C 279 65.684 64.720 0.964 2
1 1219 . 1 1 A 255 255 ILE CB C 279 36.653 37.998 -1.345 2
1 1220 . 1 1 A 255 255 ILE N N 279 116.739 118.741 -2.002 2
1 1221 . 1 1 A 256 256 VAL H H 280 8.064 7.907 0.157 2
1 1222 . 1 1 A 256 256 VAL C C 280 177.364 178.009 -0.645 2
1 1223 . 1 1 A 256 256 VAL CA C 280 67.903 65.662 2.241 2
1 1224 . 1 1 A 256 256 VAL CB C 280 31.570 31.361 0.209 2
1 1225 . 1 1 A 256 256 VAL N N 280 119.684 117.015 2.669 2
1 1226 . 1 1 A 257 257 LYS H H 281 8.471 7.880 0.591 2
1 1227 . 1 1 A 257 257 LYS C C 281 179.840 179.392 0.448 2
1 1228 . 1 1 A 257 257 LYS CA C 281 59.772 59.603 0.169 2
1 1229 . 1 1 A 257 257 LYS CB C 281 32.462 32.240 0.222 2
1 1230 . 1 1 A 257 257 LYS N N 281 120.067 121.831 -1.764 2
1 1231 . 1 1 A 258 258 ILE H H 282 8.196 8.202 -0.006 2
1 1232 . 1 1 A 258 258 ILE C C 282 177.963 177.791 0.172 2
1 1233 . 1 1 A 258 258 ILE CA C 282 65.947 65.319 0.628 2
1 1234 . 1 1 A 258 258 ILE CB C 282 38.229 37.961 0.268 2
1 1235 . 1 1 A 258 258 ILE N N 282 119.658 120.819 -1.161 2
1 1236 . 1 1 A 259 259 GLY H H 283 8.738 8.009 0.729 2
1 1237 . 1 1 A 259 259 GLY C C 283 173.267 175.363 -2.096 2
1 1238 . 1 1 A 259 259 GLY CA C 283 47.183 47.103 0.080 2
1 1239 . 1 1 A 259 259 GLY N N 283 106.140 107.996 -1.856 2
1 1240 . 1 1 A 260 260 HIS H H 284 9.068 8.055 1.013 2
1 1241 . 1 1 A 260 260 HIS C C 284 176.922 177.265 -0.343 2
1 1242 . 1 1 A 260 260 HIS CA C 284 59.061 58.971 0.090 2
1 1243 . 1 1 A 260 260 HIS CB C 284 28.570 29.535 -0.965 2
1 1244 . 1 1 A 260 260 HIS N N 284 119.327 122.356 -3.029 2
1 1245 . 1 1 A 261 261 SER H H 285 7.990 8.137 -0.147 2
1 1246 . 1 1 A 261 261 SER C C 285 177.124 176.270 0.854 2
1 1247 . 1 1 A 261 261 SER CA C 285 62.303 61.804 0.499 2
1 1248 . 1 1 A 261 261 SER N N 285 115.446 114.746 0.700 2
1 1249 . 1 1 A 262 262 ILE H H 286 7.958 7.930 0.028 2
1 1250 . 1 1 A 262 262 ILE C C 286 177.941 178.451 -0.510 2
1 1251 . 1 1 A 262 262 ILE CA C 286 66.138 64.281 1.857 2
1 1252 . 1 1 A 262 262 ILE CB C 286 38.143 37.488 0.655 2
1 1253 . 1 1 A 262 262 ILE N N 286 121.393 121.349 0.044 2
1 1254 . 1 1 A 263 263 PHE H H 287 8.713 7.832 0.881 2
1 1255 . 1 1 A 263 263 PHE C C 287 179.121 177.934 1.187 2
1 1256 . 1 1 A 263 263 PHE CA C 287 59.257 60.872 -1.615 2
1 1257 . 1 1 A 263 263 PHE CB C 287 36.592 38.245 -1.653 2
1 1258 . 1 1 A 263 263 PHE N N 287 118.240 117.879 0.361 2
1 1259 . 1 1 A 264 264 ASP H H 288 8.344 8.003 0.341 2
1 1260 . 1 1 A 264 264 ASP C C 288 178.827 178.638 0.189 2
1 1261 . 1 1 A 264 264 ASP CA C 288 56.918 57.219 -0.301 2
1 1262 . 1 1 A 264 264 ASP CB C 288 40.482 40.310 0.172 2
1 1263 . 1 1 A 264 264 ASP N N 288 119.812 118.379 1.433 2
1 1264 . 1 1 A 265 265 VAL H H 289 7.495 7.859 -0.364 2
1 1265 . 1 1 A 265 265 VAL C C 289 177.805 176.653 1.152 2
1 1266 . 1 1 A 265 265 VAL CA C 289 66.040 65.636 0.404 2
1 1267 . 1 1 A 265 265 VAL CB C 289 30.900 31.009 -0.109 2
1 1268 . 1 1 A 265 265 VAL N N 289 120.163 119.610 0.553 2
1 1269 . 1 1 A 266 266 TYR H H 290 7.340 7.564 -0.224 2
1 1270 . 1 1 A 266 266 TYR C C 290 177.868 177.763 0.105 2
1 1271 . 1 1 A 266 266 TYR CA C 290 61.326 59.866 1.460 2
1 1272 . 1 1 A 266 266 TYR CB C 290 40.319 40.077 0.242 2
1 1273 . 1 1 A 266 266 TYR N N 290 116.202 117.519 -1.317 2
1 1274 . 1 1 A 267 267 THR H H 291 8.416 8.156 0.260 2
1 1275 . 1 1 A 267 267 THR C C 291 175.895 175.887 0.008 2
1 1276 . 1 1 A 267 267 THR CA C 291 62.896 64.654 -1.758 2
1 1277 . 1 1 A 267 267 THR CB C 291 69.634 68.860 0.774 2
1 1278 . 1 1 A 267 267 THR N N 291 111.102 112.699 -1.597 2
stop_
save_