data_15248_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15248
_Entry.PDB_ID 1SUA
_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 3 . 1 1 1 A 6 6 TYR C C 6 177.799 177.653 0.146 1
1 4 . 1 1 1 A 6 6 TYR CA C 6 61.439 61.746 -0.307 1
1 5 . 1 1 1 A 6 6 TYR CB C 6 37.975 39.112 -1.137 1
1 6 . 1 1 1 A 7 7 GLY H H 7 8.756 nan 8.756 1
1 7 . 1 1 1 A 7 7 GLY C C 7 174.920 175.834 -0.914 1
1 8 . 1 1 1 A 7 7 GLY CA C 7 46.904 46.975 -0.071 1
1 9 . 1 1 1 A 7 7 GLY N N 7 110.022 106.277 3.745 1
1 10 . 1 1 1 A 8 8 VAL H H 8 7.095 nan 7.095 1
1 11 . 1 1 1 A 8 8 VAL C C 8 177.999 177.478 0.521 1
1 12 . 1 1 1 A 8 8 VAL CA C 8 66.911 65.624 1.287 1
1 13 . 1 1 1 A 8 8 VAL CB C 8 32.348 31.752 0.596 1
1 14 . 1 1 1 A 8 8 VAL N N 8 119.487 122.283 -2.796 1
1 15 . 1 1 1 A 9 9 SER H H 9 7.315 nan 7.315 1
1 16 . 1 1 1 A 9 9 SER C C 9 178.683 176.278 2.405 1
1 17 . 1 1 1 A 9 9 SER CA C 9 61.686 61.623 0.063 1
1 18 . 1 1 1 A 9 9 SER CB C 9 62.860 62.554 0.306 1
1 19 . 1 1 1 A 9 9 SER N N 9 113.579 115.556 -1.977 1
1 20 . 1 1 1 A 10 10 GLN H H 10 8.635 nan 8.635 1
1 21 . 1 1 1 A 10 10 GLN C C 10 178.319 178.215 0.104 1
1 22 . 1 1 1 A 10 10 GLN CA C 10 59.693 58.960 0.733 1
1 23 . 1 1 1 A 10 10 GLN CB C 10 29.757 28.029 1.728 1
1 24 . 1 1 1 A 10 10 GLN N N 10 125.466 120.861 4.605 1
1 25 . 1 1 1 A 11 11 ILE H H 11 7.027 nan 7.027 1
1 26 . 1 1 1 A 11 11 ILE C C 11 173.854 175.491 -1.637 1
1 27 . 1 1 1 A 11 11 ILE CA C 11 61.733 60.801 0.932 1
1 28 . 1 1 1 A 11 11 ILE CB C 11 38.088 37.609 0.479 1
1 29 . 1 1 1 A 11 11 ILE N N 11 106.883 111.998 -5.115 1
1 30 . 1 1 1 A 12 12 LYS H H 12 7.845 nan 7.845 1
1 31 . 1 1 1 A 12 12 LYS C C 12 174.597 176.512 -1.915 1
1 32 . 1 1 1 A 12 12 LYS CA C 12 58.137 57.060 1.077 1
1 33 . 1 1 1 A 12 12 LYS CB C 12 28.888 29.055 -0.167 1
1 34 . 1 1 1 A 12 12 LYS N N 12 113.379 116.426 -3.047 1
1 35 . 1 1 1 A 13 13 ALA H H 13 7.262 nan 7.262 1
1 36 . 1 1 1 A 13 13 ALA CA C 13 55.595 56.821 -1.226 1
1 37 . 1 1 1 A 13 13 ALA CB C 13 17.693 17.665 0.028 1
1 38 . 1 1 1 A 13 13 ALA N N 13 118.059 120.020 -1.961 1
1 39 . 1 1 1 A 14 14 PRO C C 14 177.167 178.748 -1.581 1
1 40 . 1 1 1 A 14 14 PRO CA C 14 66.171 66.014 0.157 1
1 41 . 1 1 1 A 14 14 PRO CB C 14 30.970 30.648 0.322 1
1 42 . 1 1 1 A 15 15 ALA H H 15 7.330 nan 7.330 1
1 43 . 1 1 1 A 15 15 ALA C C 15 180.416 179.620 0.796 1
1 44 . 1 1 1 A 15 15 ALA CA C 15 54.872 54.838 0.034 1
1 45 . 1 1 1 A 15 15 ALA CB C 15 18.410 18.568 -0.158 1
1 46 . 1 1 1 A 15 15 ALA N N 15 118.791 118.778 0.013 1
1 47 . 1 1 1 A 16 16 LEU H H 16 7.281 nan 7.281 1
1 48 . 1 1 1 A 16 16 LEU C C 16 179.584 179.215 0.369 1
1 49 . 1 1 1 A 16 16 LEU CA C 16 56.523 56.992 -0.469 1
1 50 . 1 1 1 A 16 16 LEU CB C 16 40.171 41.695 -1.524 1
1 51 . 1 1 1 A 16 16 LEU N N 16 119.394 119.387 0.007 1
1 52 . 1 1 1 A 17 17 HIS H H 17 7.620 nan 7.620 1
1 53 . 1 1 1 A 17 17 HIS C C 17 180.908 177.912 2.996 1
1 54 . 1 1 1 A 17 17 HIS CA C 17 58.146 59.930 -1.784 1
1 55 . 1 1 1 A 17 17 HIS CB C 17 31.476 29.676 1.800 1
1 56 . 1 1 1 A 17 17 HIS N N 17 120.747 118.156 2.591 1
1 57 . 1 1 1 A 18 18 SER H H 18 8.415 nan 8.415 1
1 58 . 1 1 1 A 18 18 SER C C 18 175.397 177.055 -1.658 1
1 59 . 1 1 1 A 18 18 SER CA C 18 61.550 61.724 -0.174 1
1 60 . 1 1 1 A 18 18 SER CB C 18 63.228 62.291 0.937 1
1 61 . 1 1 1 A 18 18 SER N N 18 114.281 115.931 -1.650 1
1 62 . 1 1 1 A 19 19 GLN H H 19 7.235 nan 7.235 1
1 63 . 1 1 1 A 19 19 GLN C C 19 175.255 175.975 -0.720 1
1 64 . 1 1 1 A 19 19 GLN CA C 19 56.163 55.740 0.423 1
1 65 . 1 1 1 A 19 19 GLN CB C 19 30.625 29.105 1.520 1
1 66 . 1 1 1 A 19 19 GLN N N 19 118.974 117.668 1.306 1
1 67 . 1 1 1 A 20 20 GLY H H 20 7.630 nan 7.630 1
1 68 . 1 1 1 A 20 20 GLY C C 20 173.511 173.544 -0.033 1
1 69 . 1 1 1 A 20 20 GLY CA C 20 44.701 45.202 -0.501 1
1 70 . 1 1 1 A 20 20 GLY N N 20 104.752 107.378 -2.626 1
1 71 . 1 1 1 A 21 21 TYR H H 21 7.768 nan 7.768 1
1 72 . 1 1 1 A 21 21 TYR C C 21 174.330 175.168 -0.838 1
1 73 . 1 1 1 A 21 21 TYR CA C 21 57.815 56.708 1.107 1
1 74 . 1 1 1 A 21 21 TYR CB C 21 38.226 39.578 -1.352 1
1 75 . 1 1 1 A 21 21 TYR N N 21 121.954 118.760 3.194 1
1 76 . 1 1 1 A 22 22 THR H H 22 8.858 nan 8.858 1
1 77 . 1 1 1 A 22 22 THR C C 22 175.338 174.854 0.484 1
1 78 . 1 1 1 A 22 22 THR CA C 22 60.471 61.077 -0.606 1
1 79 . 1 1 1 A 22 22 THR CB C 22 70.041 70.091 -0.050 1
1 80 . 1 1 1 A 22 22 THR N N 22 108.389 113.842 -5.453 1
1 81 . 1 1 1 A 23 23 GLY H H 23 8.077 nan 8.077 1
1 82 . 1 1 1 A 23 23 GLY C C 23 171.869 174.670 -2.801 1
1 83 . 1 1 1 A 23 23 GLY CA C 23 45.359 45.988 -0.629 1
1 84 . 1 1 1 A 23 23 GLY N N 23 109.845 110.692 -0.847 1
1 85 . 1 1 1 A 24 24 SER H H 24 7.669 nan 7.669 1
1 86 . 1 1 1 A 24 24 SER C C 24 174.442 175.174 -0.732 1
1 87 . 1 1 1 A 24 24 SER CA C 24 60.233 58.739 1.494 1
1 88 . 1 1 1 A 24 24 SER CB C 24 63.147 62.963 0.184 1
1 89 . 1 1 1 A 24 24 SER N N 24 113.460 115.969 -2.509 1
1 90 . 1 1 1 A 25 25 ASN H H 25 8.626 nan 8.626 1
1 91 . 1 1 1 A 25 25 ASN C C 25 173.901 174.289 -0.388 1
1 92 . 1 1 1 A 25 25 ASN CA C 25 55.184 54.706 0.478 1
1 93 . 1 1 1 A 25 25 ASN CB C 25 37.881 37.240 0.641 1
1 94 . 1 1 1 A 25 25 ASN N N 25 116.786 120.074 -3.288 1
1 95 . 1 1 1 A 26 26 VAL H H 26 7.722 nan 7.722 1
1 96 . 1 1 1 A 26 26 VAL C C 26 174.979 174.880 0.099 1
1 97 . 1 1 1 A 26 26 VAL CA C 26 63.183 61.473 1.710 1
1 98 . 1 1 1 A 26 26 VAL CB C 26 33.029 33.504 -0.475 1
1 99 . 1 1 1 A 26 26 VAL N N 26 121.434 119.348 2.086 1
1 100 . 1 1 1 A 27 27 LYS H H 27 10.000 nan 10.000 1
1 101 . 1 1 1 A 27 27 LYS C C 27 176.113 175.819 0.294 1
1 102 . 1 1 1 A 27 27 LYS CA C 27 56.652 56.075 0.577 1
1 103 . 1 1 1 A 27 27 LYS CB C 27 34.206 33.286 0.920 1
1 104 . 1 1 1 A 27 27 LYS N N 27 128.923 129.317 -0.394 1
1 105 . 1 1 1 A 28 28 VAL H H 28 9.345 nan 9.345 1
1 106 . 1 1 1 A 28 28 VAL C C 28 174.508 174.495 0.013 1
1 107 . 1 1 1 A 28 28 VAL CA C 28 60.507 60.922 -0.415 1
1 108 . 1 1 1 A 28 28 VAL CB C 28 33.871 34.239 -0.368 1
1 109 . 1 1 1 A 28 28 VAL N N 28 125.231 125.578 -0.347 1
1 110 . 1 1 1 A 29 29 ALA H H 29 9.126 nan 9.126 1
1 111 . 1 1 1 A 29 29 ALA C C 29 175.607 176.050 -0.443 1
1 112 . 1 1 1 A 29 29 ALA CA C 29 50.677 50.328 0.349 1
1 113 . 1 1 1 A 29 29 ALA CB C 29 19.714 20.733 -1.019 1
1 114 . 1 1 1 A 29 29 ALA N N 29 128.205 130.200 -1.995 1
1 115 . 1 1 1 A 30 30 VAL H H 30 9.038 nan 9.038 1
1 116 . 1 1 1 A 30 30 VAL CA C 30 63.069 61.906 1.163 1
1 117 . 1 1 1 A 30 30 VAL CB C 30 31.243 32.249 -1.006 1
1 118 . 1 1 1 A 30 30 VAL N N 30 126.847 123.554 3.293 1
1 119 . 1 1 1 A 31 31 ILE C C 31 174.769 174.344 0.425 1
1 120 . 1 1 1 A 31 31 ILE CA C 31 62.549 61.178 1.371 1
1 121 . 1 1 1 A 31 31 ILE CB C 31 36.245 36.925 -0.680 1
1 122 . 1 1 1 A 32 32 ASP H H 32 8.849 nan 8.849 1
1 123 . 1 1 1 A 32 32 ASP C C 32 176.608 176.738 -0.130 1
1 124 . 1 1 1 A 32 32 ASP CA C 32 55.704 53.720 1.984 1
1 125 . 1 1 1 A 32 32 ASP CB C 32 45.915 45.244 0.671 1
1 126 . 1 1 1 A 32 32 ASP N N 32 131.362 129.735 1.627 1
1 127 . 1 1 1 A 33 33 SER H H 33 11.195 nan 11.195 1
1 128 . 1 1 1 A 33 33 SER C C 33 172.867 173.977 -1.110 1
1 129 . 1 1 1 A 33 33 SER CA C 33 60.191 58.757 1.434 1
1 130 . 1 1 1 A 33 33 SER CB C 33 64.548 63.079 1.469 1
1 131 . 1 1 1 A 33 33 SER N N 33 123.046 118.053 4.993 1
1 132 . 1 1 1 A 34 34 GLY H H 34 7.369 nan 7.369 1
1 133 . 1 1 1 A 34 34 GLY C C 34 171.527 172.878 -1.351 1
1 134 . 1 1 1 A 34 34 GLY CA C 34 44.170 44.048 0.122 1
1 135 . 1 1 1 A 34 34 GLY N N 34 108.861 108.884 -0.023 1
1 136 . 1 1 1 A 35 35 ILE H H 35 7.281 nan 7.281 1
1 137 . 1 1 1 A 35 35 ILE C C 35 173.894 174.394 -0.500 1
1 138 . 1 1 1 A 35 35 ILE CA C 35 60.900 59.940 0.960 1
1 139 . 1 1 1 A 35 35 ILE CB C 35 43.383 41.722 1.661 1
1 140 . 1 1 1 A 35 35 ILE N N 35 111.684 118.076 -6.392 1
1 141 . 1 1 1 A 36 36 ASP H H 36 8.114 nan 8.114 1
1 142 . 1 1 1 A 36 36 ASP C C 36 175.694 176.686 -0.992 1
1 143 . 1 1 1 A 36 36 ASP CA C 36 53.558 53.059 0.499 1
1 144 . 1 1 1 A 36 36 ASP CB C 36 40.369 40.166 0.203 1
1 145 . 1 1 1 A 36 36 ASP N N 36 123.200 126.500 -3.300 1
1 146 . 1 1 1 A 37 37 SER H H 37 7.790 nan 7.790 1
1 147 . 1 1 1 A 37 37 SER C C 37 174.163 175.540 -1.377 1
1 148 . 1 1 1 A 37 37 SER CA C 37 59.586 61.449 -1.863 1
1 149 . 1 1 1 A 37 37 SER CB C 37 63.452 63.126 0.326 1
1 150 . 1 1 1 A 37 37 SER N N 37 122.379 121.286 1.093 1
1 151 . 1 1 1 A 38 38 SER H H 38 8.403 nan 8.403 1
1 152 . 1 1 1 A 38 38 SER C C 38 174.560 174.934 -0.374 1
1 153 . 1 1 1 A 38 38 SER CA C 38 59.365 59.850 -0.485 1
1 154 . 1 1 1 A 38 38 SER CB C 38 64.066 63.294 0.772 1
1 155 . 1 1 1 A 38 38 SER N N 38 117.844 114.797 3.047 1
1 156 . 1 1 1 A 39 39 HIS H H 39 7.382 nan 7.382 1
1 157 . 1 1 1 A 39 39 HIS CA C 39 56.443 55.072 1.371 1
1 158 . 1 1 1 A 39 39 HIS CB C 39 31.627 31.127 0.500 1
1 159 . 1 1 1 A 39 39 HIS N N 39 128.539 122.739 5.800 1
1 160 . 1 1 1 A 40 40 PRO C C 40 178.003 178.584 -0.581 1
1 161 . 1 1 1 A 40 40 PRO CA C 40 64.612 65.701 -1.089 1
1 162 . 1 1 1 A 40 40 PRO CB C 40 32.619 31.841 0.778 1
1 163 . 1 1 1 A 41 41 ASP H H 41 10.073 nan 10.073 1
1 164 . 1 1 1 A 41 41 ASP C C 41 175.943 177.337 -1.394 1
1 165 . 1 1 1 A 41 41 ASP CA C 41 54.403 57.324 -2.921 1
1 166 . 1 1 1 A 41 41 ASP CB C 41 40.985 40.951 0.034 1
1 167 . 1 1 1 A 41 41 ASP N N 41 118.164 117.793 0.371 1
1 168 . 1 1 1 A 42 42 LEU H H 42 7.627 nan 7.627 1
1 169 . 1 1 1 A 42 42 LEU C C 42 174.357 175.966 -1.609 1
1 170 . 1 1 1 A 42 42 LEU CA C 42 53.374 55.330 -1.956 1
1 171 . 1 1 1 A 42 42 LEU CB C 42 44.887 41.883 3.004 1
1 172 . 1 1 1 A 42 42 LEU N N 42 118.217 120.181 -1.964 1
1 173 . 1 1 1 A 43 43 ASN H H 43 6.168 nan 6.168 1
1 174 . 1 1 1 A 43 43 ASN C C 43 174.025 173.886 0.139 1
1 175 . 1 1 1 A 43 43 ASN CA C 43 52.532 51.832 0.700 1
1 176 . 1 1 1 A 43 43 ASN CB C 43 40.180 39.898 0.282 1
1 177 . 1 1 1 A 43 43 ASN N N 43 117.931 123.644 -5.713 1
1 178 . 1 1 1 A 44 44 VAL H H 44 8.375 nan 8.375 1
1 179 . 1 1 1 A 44 44 VAL C C 44 174.800 176.034 -1.234 1
1 180 . 1 1 1 A 44 44 VAL CA C 44 61.733 61.495 0.238 1
1 181 . 1 1 1 A 44 44 VAL CB C 44 33.459 32.930 0.529 1
1 182 . 1 1 1 A 44 44 VAL N N 44 123.770 126.829 -3.059 1
1 183 . 1 1 1 A 45 45 ALA H H 45 8.886 nan 8.886 1
1 184 . 1 1 1 A 45 45 ALA C C 45 177.129 176.903 0.226 1
1 185 . 1 1 1 A 45 45 ALA CA C 45 53.023 53.054 -0.031 1
1 186 . 1 1 1 A 45 45 ALA CB C 45 19.626 19.569 0.057 1
1 187 . 1 1 1 A 45 45 ALA N N 45 129.895 129.819 0.076 1
1 188 . 1 1 1 A 46 46 GLY H H 46 7.010 nan 7.010 1
1 189 . 1 1 1 A 46 46 GLY C C 46 171.992 171.675 0.317 1
1 190 . 1 1 1 A 46 46 GLY CA C 46 45.631 45.943 -0.312 1
1 191 . 1 1 1 A 46 46 GLY N N 46 102.897 103.122 -0.225 1
1 192 . 1 1 1 A 47 47 GLY H H 47 9.034 nan 9.034 1
1 193 . 1 1 1 A 47 47 GLY C C 47 170.085 170.831 -0.746 1
1 194 . 1 1 1 A 47 47 GLY CA C 47 46.509 45.586 0.923 1
1 195 . 1 1 1 A 47 47 GLY N N 47 107.837 107.978 -0.141 1
1 196 . 1 1 1 A 48 48 ALA H H 48 8.014 nan 8.014 1
1 197 . 1 1 1 A 48 48 ALA C C 48 174.949 174.691 0.258 1
1 198 . 1 1 1 A 48 48 ALA CA C 48 51.969 50.840 1.129 1
1 199 . 1 1 1 A 48 48 ALA CB C 48 21.972 22.313 -0.341 1
1 200 . 1 1 1 A 48 48 ALA N N 48 118.081 120.912 -2.831 1
1 201 . 1 1 1 A 49 49 SER H H 49 8.346 nan 8.346 1
1 202 . 1 1 1 A 49 49 SER CA C 49 54.855 55.668 -0.813 1
1 203 . 1 1 1 A 49 49 SER CB C 49 64.582 64.707 -0.125 1
1 204 . 1 1 1 A 49 49 SER N N 49 112.572 114.043 -1.471 1
1 205 . 1 1 1 A 50 50 PHE C C 50 174.743 174.978 -0.235 1
1 206 . 1 1 1 A 50 50 PHE CA C 50 63.185 57.443 5.742 1
1 207 . 1 1 1 A 50 50 PHE CB C 50 31.442 39.842 -8.400 1
1 208 . 1 1 1 A 51 51 VAL H H 51 8.302 nan 8.302 1
1 209 . 1 1 1 A 51 51 VAL CA C 51 62.617 59.077 3.540 1
1 210 . 1 1 1 A 51 51 VAL CB C 51 35.636 31.266 4.370 1
1 211 . 1 1 1 A 51 51 VAL N N 51 130.674 120.342 10.332 1
1 212 . 1 1 1 A 52 52 PRO C C 52 179.284 177.748 1.536 1
1 213 . 1 1 1 A 52 52 PRO CA C 52 60.313 64.833 -4.520 1
1 214 . 1 1 1 A 52 52 PRO CB C 52 36.242 31.804 4.438 1
1 215 . 1 1 1 A 53 53 SER H H 53 10.403 nan 10.403 1
1 216 . 1 1 1 A 53 53 SER C C 53 175.826 174.410 1.416 1
1 217 . 1 1 1 A 53 53 SER CA C 53 62.761 59.046 3.715 1
1 218 . 1 1 1 A 53 53 SER CB C 53 61.377 63.301 -1.924 1
1 219 . 1 1 1 A 53 53 SER N N 53 115.198 109.572 5.626 1
1 220 . 1 1 1 A 54 54 GLU H H 54 7.114 nan 7.114 1
1 221 . 1 1 1 A 54 54 GLU CA C 54 57.982 54.930 3.052 1
1 222 . 1 1 1 A 54 54 GLU CB C 54 28.899 30.039 -1.140 1
1 223 . 1 1 1 A 54 54 GLU N N 54 123.731 120.861 2.870 1
1 224 . 1 1 1 A 55 55 THR C C 55 173.503 174.070 -0.567 1
1 225 . 1 1 1 A 55 55 THR CA C 55 63.574 64.188 -0.614 1
1 226 . 1 1 1 A 55 55 THR CB C 55 69.198 68.695 0.503 1
1 227 . 1 1 1 A 56 56 ASN H H 56 7.856 nan 7.856 1
1 228 . 1 1 1 A 56 56 ASN CA C 56 49.377 49.576 -0.199 1
1 229 . 1 1 1 A 56 56 ASN CB C 56 39.779 39.656 0.123 1
1 230 . 1 1 1 A 56 56 ASN N N 56 120.228 121.284 -1.056 1
1 231 . 1 1 1 A 57 57 PRO C C 57 173.428 177.625 -4.197 1
1 232 . 1 1 1 A 57 57 PRO CA C 57 64.131 64.295 -0.164 1
1 233 . 1 1 1 A 57 57 PRO CB C 57 31.855 31.360 0.495 1
1 234 . 1 1 1 A 58 58 PHE H H 58 7.367 nan 7.367 1
1 235 . 1 1 1 A 58 58 PHE C C 58 174.587 175.442 -0.855 1
1 236 . 1 1 1 A 58 58 PHE CA C 58 55.183 58.522 -3.339 1
1 237 . 1 1 1 A 58 58 PHE CB C 58 37.255 38.803 -1.548 1
1 238 . 1 1 1 A 58 58 PHE N N 58 116.897 116.462 0.435 1
1 239 . 1 1 1 A 59 59 GLN H H 59 6.854 nan 6.854 1
1 240 . 1 1 1 A 59 59 GLN C C 59 173.854 173.663 0.191 1
1 241 . 1 1 1 A 59 59 GLN CA C 59 54.101 54.209 -0.108 1
1 242 . 1 1 1 A 59 59 GLN CB C 59 31.026 31.677 -0.651 1
1 243 . 1 1 1 A 59 59 GLN N N 59 118.799 120.799 -2.000 1
1 244 . 1 1 1 A 60 60 ASP H H 60 8.905 nan 8.905 1
1 245 . 1 1 1 A 60 60 ASP C C 60 175.366 176.431 -1.065 1
1 246 . 1 1 1 A 60 60 ASP CA C 60 51.548 52.468 -0.920 1
1 247 . 1 1 1 A 60 60 ASP CB C 60 41.392 41.544 -0.152 1
1 248 . 1 1 1 A 60 60 ASP N N 60 125.815 127.167 -1.352 1
1 249 . 1 1 1 A 61 61 ASN H H 61 8.700 nan 8.700 1
1 250 . 1 1 1 A 61 61 ASN CA C 61 54.458 55.199 -0.741 1
1 251 . 1 1 1 A 61 61 ASN N N 61 121.481 123.248 -1.767 1
1 252 . 1 1 1 A 65 65 GLY C C 65 171.589 176.270 -4.681 1
1 253 . 1 1 1 A 65 65 GLY CA C 65 45.993 47.424 -1.431 1
1 254 . 1 1 1 A 66 66 THR H H 66 7.939 nan 7.939 1
1 255 . 1 1 1 A 66 66 THR C C 66 175.119 175.790 -0.671 1
1 256 . 1 1 1 A 66 66 THR CA C 66 62.963 67.261 -4.298 1
1 257 . 1 1 1 A 66 66 THR CB C 66 67.959 68.559 -0.600 1
1 258 . 1 1 1 A 66 66 THR N N 66 114.933 118.533 -3.600 1
1 259 . 1 1 1 A 67 67 HIS H H 67 7.698 nan 7.698 1
1 260 . 1 1 1 A 67 67 HIS CA C 67 61.247 60.215 1.032 1
1 261 . 1 1 1 A 67 67 HIS CB C 67 32.359 30.413 1.946 1
1 262 . 1 1 1 A 67 67 HIS N N 67 127.362 124.787 2.575 1
1 263 . 1 1 1 A 68 68 VAL C C 68 178.768 178.178 0.590 1
1 264 . 1 1 1 A 68 68 VAL CA C 68 66.203 66.238 -0.035 1
1 265 . 1 1 1 A 68 68 VAL CB C 68 32.684 31.519 1.165 1
1 266 . 1 1 1 A 69 69 ALA H H 69 8.541 nan 8.541 1
1 267 . 1 1 1 A 69 69 ALA C C 69 179.169 179.952 -0.783 1
1 268 . 1 1 1 A 69 69 ALA CA C 69 55.655 55.227 0.428 1
1 269 . 1 1 1 A 69 69 ALA CB C 69 20.216 18.651 1.565 1
1 270 . 1 1 1 A 69 69 ALA N N 69 120.671 121.253 -0.582 1
1 271 . 1 1 1 A 70 70 GLY H H 70 7.705 nan 7.705 1
1 272 . 1 1 1 A 70 70 GLY C C 70 177.146 176.383 0.763 1
1 273 . 1 1 1 A 70 70 GLY CA C 70 47.521 47.110 0.411 1
1 274 . 1 1 1 A 70 70 GLY N N 70 102.692 105.968 -3.276 1
1 275 . 1 1 1 A 71 71 THR H H 71 7.399 nan 7.399 1
1 276 . 1 1 1 A 71 71 THR C C 71 175.517 176.557 -1.040 1
1 277 . 1 1 1 A 71 71 THR CA C 71 66.448 66.225 0.223 1
1 278 . 1 1 1 A 71 71 THR CB C 71 67.634 67.761 -0.127 1
1 279 . 1 1 1 A 71 71 THR N N 71 120.541 118.301 2.240 1
1 280 . 1 1 1 A 72 72 VAL H H 72 7.444 nan 7.444 1
1 281 . 1 1 1 A 72 72 VAL C C 72 177.988 177.975 0.013 1
1 282 . 1 1 1 A 72 72 VAL CA C 72 67.517 66.433 1.084 1
1 283 . 1 1 1 A 72 72 VAL CB C 72 31.120 31.646 -0.526 1
1 284 . 1 1 1 A 72 72 VAL N N 72 120.220 122.385 -2.165 1
1 285 . 1 1 1 A 73 73 LEU H H 73 7.318 nan 7.318 1
1 286 . 1 1 1 A 73 73 LEU C C 73 178.133 179.399 -1.266 1
1 287 . 1 1 1 A 73 73 LEU CA C 73 55.952 57.711 -1.759 1
1 288 . 1 1 1 A 73 73 LEU CB C 73 42.083 40.741 1.342 1
1 289 . 1 1 1 A 73 73 LEU N N 73 115.563 117.774 -2.211 1
1 300 . 1 1 1 A 76 76 ALA H H 85 8.824 nan 8.824 1
1 301 . 1 1 1 A 76 76 ALA CA C 85 49.430 49.378 0.052 1
1 302 . 1 1 1 A 76 76 ALA CB C 85 19.374 19.061 0.313 1
1 303 . 1 1 1 A 76 76 ALA N N 85 123.376 122.146 1.230 1
1 304 . 1 1 1 A 77 77 PRO C C 86 178.561 177.756 0.805 1
1 305 . 1 1 1 A 77 77 PRO CA C 86 65.465 64.809 0.656 1
1 306 . 1 1 1 A 77 77 PRO CB C 86 33.180 31.918 1.262 1
1 307 . 1 1 1 A 78 78 SER H H 87 8.175 nan 8.175 1
1 308 . 1 1 1 A 78 78 SER C C 87 173.530 174.164 -0.634 1
1 309 . 1 1 1 A 78 78 SER CA C 87 56.940 58.389 -1.449 1
1 310 . 1 1 1 A 78 78 SER CB C 87 62.877 63.895 -1.018 1
1 311 . 1 1 1 A 78 78 SER N N 87 110.342 111.595 -1.253 1
1 312 . 1 1 1 A 79 79 ALA H H 88 7.643 nan 7.643 1
1 313 . 1 1 1 A 79 79 ALA C C 88 176.563 177.515 -0.952 1
1 314 . 1 1 1 A 79 79 ALA CA C 88 52.966 52.537 0.429 1
1 315 . 1 1 1 A 79 79 ALA CB C 88 18.383 19.562 -1.179 1
1 316 . 1 1 1 A 79 79 ALA N N 88 124.516 125.290 -0.774 1
1 317 . 1 1 1 A 80 80 SER H H 89 8.693 nan 8.693 1
1 318 . 1 1 1 A 80 80 SER C C 89 172.499 173.925 -1.426 1
1 319 . 1 1 1 A 80 80 SER CA C 89 57.964 58.530 -0.566 1
1 320 . 1 1 1 A 80 80 SER CB C 89 64.643 63.671 0.972 1
1 321 . 1 1 1 A 80 80 SER N N 89 116.446 119.229 -2.783 1
1 322 . 1 1 1 A 81 81 LEU H H 90 8.451 nan 8.451 1
1 323 . 1 1 1 A 81 81 LEU C C 90 175.918 174.379 1.539 1
1 324 . 1 1 1 A 81 81 LEU CA C 90 54.036 53.909 0.127 1
1 325 . 1 1 1 A 81 81 LEU CB C 90 45.196 44.262 0.934 1
1 326 . 1 1 1 A 81 81 LEU N N 90 125.075 128.778 -3.703 1
1 327 . 1 1 1 A 82 82 TYR H H 91 8.952 nan 8.952 1
1 328 . 1 1 1 A 82 82 TYR C C 91 174.937 174.754 0.183 1
1 329 . 1 1 1 A 82 82 TYR CA C 91 56.662 56.696 -0.034 1
1 330 . 1 1 1 A 82 82 TYR CB C 91 40.785 41.762 -0.977 1
1 331 . 1 1 1 A 82 82 TYR N N 91 119.926 124.597 -4.671 1
1 332 . 1 1 1 A 83 83 ALA H H 92 8.684 nan 8.684 1
1 333 . 1 1 1 A 83 83 ALA C C 92 173.351 175.758 -2.407 1
1 334 . 1 1 1 A 83 83 ALA CA C 92 51.224 50.529 0.695 1
1 335 . 1 1 1 A 83 83 ALA CB C 92 20.560 20.434 0.126 1
1 336 . 1 1 1 A 83 83 ALA N N 92 127.148 126.652 0.496 1
1 337 . 1 1 1 A 84 84 VAL H H 93 7.633 nan 7.633 1
1 338 . 1 1 1 A 84 84 VAL C C 93 174.968 174.388 0.580 1
1 339 . 1 1 1 A 84 84 VAL CA C 93 60.649 61.234 -0.585 1
1 340 . 1 1 1 A 84 84 VAL CB C 93 31.742 32.589 -0.847 1
1 341 . 1 1 1 A 84 84 VAL N N 93 125.462 124.236 1.226 1
1 342 . 1 1 1 A 85 85 LYS H H 94 8.667 nan 8.667 1
1 343 . 1 1 1 A 85 85 LYS C C 94 174.900 176.478 -1.578 1
1 344 . 1 1 1 A 85 85 LYS CA C 94 56.445 56.301 0.144 1
1 345 . 1 1 1 A 85 85 LYS CB C 94 33.990 32.341 1.649 1
1 346 . 1 1 1 A 85 85 LYS N N 94 129.268 129.088 0.180 1
1 347 . 1 1 1 A 86 86 VAL H H 95 8.972 nan 8.972 1
1 348 . 1 1 1 A 86 86 VAL C C 95 171.263 175.480 -4.217 1
1 349 . 1 1 1 A 86 86 VAL CA C 95 60.794 61.922 -1.128 1
1 350 . 1 1 1 A 86 86 VAL CB C 95 33.483 33.985 -0.502 1
1 351 . 1 1 1 A 86 86 VAL N N 95 118.965 120.403 -1.438 1
1 352 . 1 1 1 A 87 87 LEU H H 96 6.770 nan 6.770 1
1 353 . 1 1 1 A 87 87 LEU C C 96 176.859 176.680 0.179 1
1 354 . 1 1 1 A 87 87 LEU CA C 96 51.836 53.762 -1.926 1
1 355 . 1 1 1 A 87 87 LEU CB C 96 44.902 43.523 1.379 1
1 356 . 1 1 1 A 87 87 LEU N N 96 116.185 122.177 -5.992 1
1 357 . 1 1 1 A 88 88 GLY H H 97 8.299 nan 8.299 1
1 358 . 1 1 1 A 88 88 GLY C C 97 175.307 175.070 0.237 1
1 359 . 1 1 1 A 88 88 GLY CA C 97 43.710 43.935 -0.225 1
1 360 . 1 1 1 A 88 88 GLY N N 97 105.669 108.414 -2.745 1
1 361 . 1 1 1 A 89 89 ALA H H 98 9.623 nan 9.623 1
1 362 . 1 1 1 A 89 89 ALA C C 98 179.073 178.727 0.346 1
1 363 . 1 1 1 A 89 89 ALA CA C 98 55.623 54.667 0.956 1
1 364 . 1 1 1 A 89 89 ALA CB C 98 19.436 18.621 0.815 1
1 365 . 1 1 1 A 89 89 ALA N N 98 123.698 122.138 1.560 1
1 366 . 1 1 1 A 90 90 ASP H H 99 8.361 nan 8.361 1
1 367 . 1 1 1 A 90 90 ASP C C 99 177.798 176.856 0.942 1
1 368 . 1 1 1 A 90 90 ASP CA C 99 53.770 53.532 0.238 1
1 369 . 1 1 1 A 90 90 ASP CB C 99 40.108 40.845 -0.737 1
1 370 . 1 1 1 A 90 90 ASP N N 99 114.871 113.623 1.248 1
1 371 . 1 1 1 A 91 91 GLY H H 100 8.818 nan 8.818 1
1 372 . 1 1 1 A 91 91 GLY C C 100 175.505 174.226 1.279 1
1 373 . 1 1 1 A 91 91 GLY CA C 100 46.013 44.993 1.020 1
1 374 . 1 1 1 A 91 91 GLY N N 100 109.011 109.795 -0.784 1
1 375 . 1 1 1 A 92 92 SER H H 101 10.222 nan 10.222 1
1 376 . 1 1 1 A 92 92 SER CA C 101 66.990 57.360 9.630 1
1 377 . 1 1 1 A 92 92 SER CB C 101 69.905 65.715 4.190 1
1 378 . 1 1 1 A 92 92 SER N N 101 115.368 114.932 0.436 1
1 379 . 1 1 1 A 97 97 TRP C C 106 176.615 178.904 -2.289 1
1 380 . 1 1 1 A 97 97 TRP CA C 106 54.159 59.678 -5.519 1
1 381 . 1 1 1 A 97 97 TRP CB C 106 27.958 29.620 -1.662 1
1 382 . 1 1 1 A 98 98 ILE H H 107 9.492 nan 9.492 1
1 383 . 1 1 1 A 98 98 ILE CA C 107 60.318 65.063 -4.745 1
1 384 . 1 1 1 A 98 98 ILE CB C 107 36.044 37.888 -1.844 1
1 385 . 1 1 1 A 98 98 ILE N N 107 125.766 120.052 5.714 1
1 386 . 1 1 1 A 99 99 ILE C C 108 177.329 177.746 -0.417 1
1 387 . 1 1 1 A 100 100 ASN C C 109 178.006 178.705 -0.699 1
1 388 . 1 1 1 A 100 100 ASN CA C 109 56.694 55.808 0.886 1
1 389 . 1 1 1 A 100 100 ASN CB C 109 38.410 37.298 1.112 1
1 390 . 1 1 1 A 101 101 GLY H H 110 7.979 nan 7.979 1
1 391 . 1 1 1 A 101 101 GLY C C 110 174.497 176.055 -1.558 1
1 392 . 1 1 1 A 101 101 GLY CA C 110 48.247 47.247 1.000 1
1 393 . 1 1 1 A 101 101 GLY N N 110 108.539 108.661 -0.122 1
1 394 . 1 1 1 A 102 102 ILE H H 111 8.620 nan 8.620 1
1 395 . 1 1 1 A 102 102 ILE CA C 111 66.346 64.399 1.947 1
1 396 . 1 1 1 A 102 102 ILE CB C 111 37.973 37.454 0.519 1
1 397 . 1 1 1 A 102 102 ILE N N 111 123.804 122.419 1.385 1
1 398 . 1 1 1 A 104 104 TRP C C 113 179.102 178.210 0.892 1
1 399 . 1 1 1 A 104 104 TRP CA C 113 62.668 61.369 1.299 1
1 400 . 1 1 1 A 104 104 TRP CB C 113 30.163 29.373 0.790 1
1 401 . 1 1 1 A 105 105 ALA H H 114 8.180 nan 8.180 1
1 402 . 1 1 1 A 105 105 ALA C C 114 178.444 179.989 -1.545 1
1 403 . 1 1 1 A 105 105 ALA CA C 114 55.197 55.168 0.029 1
1 404 . 1 1 1 A 105 105 ALA CB C 114 18.226 18.274 -0.048 1
1 405 . 1 1 1 A 105 105 ALA N N 114 122.276 120.769 1.507 1
1 406 . 1 1 1 A 106 106 ILE H H 115 8.027 nan 8.027 1
1 407 . 1 1 1 A 106 106 ILE C C 115 179.630 177.830 1.800 1
1 408 . 1 1 1 A 106 106 ILE CA C 115 65.532 65.475 0.057 1
1 409 . 1 1 1 A 106 106 ILE CB C 115 38.738 37.992 0.746 1
1 410 . 1 1 1 A 106 106 ILE N N 115 118.434 119.045 -0.611 1
1 411 . 1 1 1 A 107 107 ALA H H 116 8.313 nan 8.313 1
1 412 . 1 1 1 A 107 107 ALA C C 116 178.411 178.749 -0.338 1
1 413 . 1 1 1 A 107 107 ALA CA C 116 54.989 54.780 0.209 1
1 414 . 1 1 1 A 107 107 ALA CB C 116 18.881 18.414 0.467 1
1 415 . 1 1 1 A 107 107 ALA N N 116 122.671 121.580 1.091 1
1 416 . 1 1 1 A 108 108 ASN H H 117 7.179 nan 7.179 1
1 417 . 1 1 1 A 108 108 ASN C C 117 172.468 173.969 -1.501 1
1 418 . 1 1 1 A 108 108 ASN CA C 117 53.322 52.461 0.861 1
1 419 . 1 1 1 A 108 108 ASN CB C 117 38.392 37.837 0.555 1
1 420 . 1 1 1 A 108 108 ASN N N 117 112.006 113.809 -1.803 1
1 421 . 1 1 1 A 109 109 ASN H H 118 7.611 nan 7.611 1
1 422 . 1 1 1 A 109 109 ASN C C 118 174.530 174.469 0.061 1
1 423 . 1 1 1 A 109 109 ASN CA C 118 54.554 54.381 0.173 1
1 424 . 1 1 1 A 109 109 ASN CB C 118 36.942 36.659 0.283 1
1 425 . 1 1 1 A 109 109 ASN N N 118 114.040 114.696 -0.656 1
1 426 . 1 1 1 A 110 110 MET H H 119 7.508 nan 7.508 1
1 427 . 1 1 1 A 110 110 MET C C 119 174.491 175.556 -1.065 1
1 428 . 1 1 1 A 110 110 MET CA C 119 54.545 55.299 -0.754 1
1 429 . 1 1 1 A 110 110 MET CB C 119 34.518 32.656 1.862 1
1 430 . 1 1 1 A 110 110 MET N N 119 113.487 117.745 -4.258 1
1 431 . 1 1 1 A 111 111 ASP H H 120 8.352 nan 8.352 1
1 432 . 1 1 1 A 111 111 ASP C C 120 177.463 176.248 1.215 1
1 433 . 1 1 1 A 111 111 ASP CA C 120 57.148 56.791 0.357 1
1 434 . 1 1 1 A 111 111 ASP CB C 120 44.484 42.815 1.669 1
1 435 . 1 1 1 A 111 111 ASP N N 120 118.257 122.453 -4.196 1
1 436 . 1 1 1 A 112 112 VAL H H 121 8.077 nan 8.077 1
1 437 . 1 1 1 A 112 112 VAL C C 121 174.505 174.655 -0.150 1
1 438 . 1 1 1 A 112 112 VAL CA C 121 60.051 60.359 -0.308 1
1 439 . 1 1 1 A 112 112 VAL CB C 121 37.511 35.633 1.878 1
1 440 . 1 1 1 A 112 112 VAL N N 121 118.463 117.523 0.940 1
1 441 . 1 1 1 A 113 113 ILE H H 122 9.196 nan 9.196 1
1 442 . 1 1 1 A 113 113 ILE C C 122 172.837 174.098 -1.261 1
1 443 . 1 1 1 A 113 113 ILE CA C 122 60.075 60.012 0.063 1
1 444 . 1 1 1 A 113 113 ILE CB C 122 42.693 41.035 1.658 1
1 445 . 1 1 1 A 113 113 ILE N N 122 124.407 127.080 -2.673 1
1 446 . 1 1 1 A 114 114 ASN H H 123 8.737 nan 8.737 1
1 447 . 1 1 1 A 114 114 ASN C C 123 174.410 174.129 0.281 1
1 448 . 1 1 1 A 114 114 ASN CA C 123 53.100 51.877 1.223 1
1 449 . 1 1 1 A 114 114 ASN CB C 123 43.681 42.288 1.393 1
1 450 . 1 1 1 A 114 114 ASN N N 123 124.472 126.362 -1.890 1
1 451 . 1 1 1 A 115 115 MET H H 124 9.369 nan 9.369 1
1 452 . 1 1 1 A 115 115 MET CA C 124 54.734 54.508 0.226 1
1 453 . 1 1 1 A 115 115 MET CB C 124 34.863 34.328 0.535 1
1 454 . 1 1 1 A 115 115 MET N N 124 126.734 125.408 1.326 1
1 455 . 1 1 1 A 116 116 SER C C 125 174.563 173.219 1.344 1
1 456 . 1 1 1 A 116 116 SER CA C 125 59.271 58.106 1.165 1
1 457 . 1 1 1 A 116 116 SER CB C 125 60.692 61.940 -1.248 1
1 458 . 1 1 1 A 117 117 LEU H H 126 8.125 nan 8.125 1
1 459 . 1 1 1 A 117 117 LEU C C 126 172.565 175.458 -2.893 1
1 460 . 1 1 1 A 117 117 LEU CA C 126 54.063 52.929 1.134 1
1 461 . 1 1 1 A 117 117 LEU CB C 126 44.051 46.042 -1.991 1
1 462 . 1 1 1 A 117 117 LEU N N 126 118.613 117.329 1.284 1
1 463 . 1 1 1 A 118 118 GLY H H 127 7.634 nan 7.634 1
1 464 . 1 1 1 A 118 118 GLY C C 127 172.652 172.555 0.097 1
1 465 . 1 1 1 A 118 118 GLY CA C 127 46.741 45.840 0.901 1
1 466 . 1 1 1 A 118 118 GLY N N 127 104.654 106.381 -1.727 1
1 467 . 1 1 1 A 119 119 GLY H H 128 9.074 nan 9.074 1
1 468 . 1 1 1 A 119 119 GLY CA C 128 44.340 44.021 0.319 1
1 469 . 1 1 1 A 119 119 GLY N N 128 106.209 108.979 -2.770 1
1 470 . 1 1 1 A 120 120 PRO C C 129 177.192 176.050 1.142 1
1 471 . 1 1 1 A 120 120 PRO CA C 129 63.928 64.547 -0.619 1
1 472 . 1 1 1 A 120 120 PRO CB C 129 32.838 32.240 0.598 1
1 473 . 1 1 1 A 121 121 SER H H 130 7.328 nan 7.328 1
1 474 . 1 1 1 A 121 121 SER C C 130 173.208 174.507 -1.299 1
1 475 . 1 1 1 A 121 121 SER CA C 130 57.219 56.382 0.837 1
1 476 . 1 1 1 A 121 121 SER CB C 130 65.119 65.804 -0.685 1
1 477 . 1 1 1 A 121 121 SER N N 130 112.868 109.131 3.737 1
1 478 . 1 1 1 A 122 122 GLY H H 131 8.208 nan 8.208 1
1 479 . 1 1 1 A 122 122 GLY CA C 131 44.118 43.503 0.615 1
1 480 . 1 1 1 A 122 122 GLY N N 131 113.100 108.223 4.877 1
1 481 . 1 1 1 A 123 123 SER C C 132 180.900 174.711 6.189 1
1 482 . 1 1 1 A 123 123 SER CA C 132 63.564 57.139 6.425 1
1 483 . 1 1 1 A 124 124 ALA H H 133 7.900 nan 7.900 1
1 484 . 1 1 1 A 124 124 ALA C C 133 180.303 179.733 0.570 1
1 485 . 1 1 1 A 124 124 ALA CA C 133 55.238 55.577 -0.339 1
1 486 . 1 1 1 A 124 124 ALA CB C 133 18.866 17.970 0.896 1
1 487 . 1 1 1 A 124 124 ALA N N 133 120.989 125.743 -4.754 1
1 488 . 1 1 1 A 125 125 ALA H H 134 8.035 nan 8.035 1
1 489 . 1 1 1 A 125 125 ALA C C 134 178.458 179.956 -1.498 1
1 490 . 1 1 1 A 125 125 ALA CA C 134 54.967 55.077 -0.110 1
1 491 . 1 1 1 A 125 125 ALA CB C 134 19.543 17.916 1.627 1
1 492 . 1 1 1 A 125 125 ALA N N 134 122.753 120.788 1.965 1
1 493 . 1 1 1 A 126 126 LEU H H 135 7.988 nan 7.988 1
1 494 . 1 1 1 A 126 126 LEU CA C 135 57.418 57.890 -0.472 1
1 495 . 1 1 1 A 126 126 LEU CB C 135 42.512 41.885 0.627 1
1 496 . 1 1 1 A 126 126 LEU N N 135 120.555 120.498 0.057 1
1 497 . 1 1 1 A 129 129 ALA C C 138 179.041 179.513 -0.472 1
1 498 . 1 1 1 A 129 129 ALA CA C 138 55.800 55.053 0.747 1
1 499 . 1 1 1 A 129 129 ALA CB C 138 19.002 18.945 0.057 1
1 500 . 1 1 1 A 130 130 VAL H H 139 7.955 nan 7.955 1
1 501 . 1 1 1 A 130 130 VAL C C 139 177.579 177.883 -0.304 1
1 502 . 1 1 1 A 130 130 VAL CA C 139 66.395 65.410 0.985 1
1 503 . 1 1 1 A 130 130 VAL CB C 139 31.345 31.645 -0.300 1
1 504 . 1 1 1 A 130 130 VAL N N 139 112.145 116.048 -3.903 1
1 505 . 1 1 1 A 131 131 ASP H H 140 8.587 nan 8.587 1
1 506 . 1 1 1 A 131 131 ASP CA C 140 57.600 57.320 0.280 1
1 507 . 1 1 1 A 131 131 ASP CB C 140 39.128 39.984 -0.856 1
1 508 . 1 1 1 A 131 131 ASP N N 140 122.012 122.791 -0.779 1
1 509 . 1 1 1 A 132 132 LYS C C 141 179.149 178.566 0.583 1
1 510 . 1 1 1 A 132 132 LYS CA C 141 57.753 58.553 -0.800 1
1 511 . 1 1 1 A 132 132 LYS CB C 141 31.122 32.271 -1.149 1
1 512 . 1 1 1 A 133 133 ALA H H 142 8.025 nan 8.025 1
1 513 . 1 1 1 A 133 133 ALA C C 142 179.218 180.058 -0.840 1
1 514 . 1 1 1 A 133 133 ALA CA C 142 55.746 55.231 0.515 1
1 515 . 1 1 1 A 133 133 ALA CB C 142 16.630 18.150 -1.520 1
1 516 . 1 1 1 A 133 133 ALA N N 142 124.514 121.743 2.771 1
1 517 . 1 1 1 A 134 134 VAL H H 143 8.056 nan 8.056 1
1 518 . 1 1 1 A 134 134 VAL C C 143 181.076 178.091 2.985 1
1 519 . 1 1 1 A 134 134 VAL CA C 143 66.384 66.814 -0.430 1
1 520 . 1 1 1 A 134 134 VAL CB C 143 31.909 31.636 0.273 1
1 521 . 1 1 1 A 134 134 VAL N N 143 119.996 118.873 1.123 1
1 522 . 1 1 1 A 135 135 ALA H H 144 8.484 nan 8.484 1
1 523 . 1 1 1 A 135 135 ALA C C 144 179.338 179.592 -0.254 1
1 524 . 1 1 1 A 135 135 ALA CA C 144 54.937 55.095 -0.158 1
1 525 . 1 1 1 A 135 135 ALA CB C 144 18.100 17.962 0.138 1
1 526 . 1 1 1 A 135 135 ALA N N 144 125.739 121.936 3.803 1
1 527 . 1 1 1 A 136 136 SER H H 145 7.634 nan 7.634 1
1 528 . 1 1 1 A 136 136 SER C C 145 173.731 174.606 -0.875 1
1 529 . 1 1 1 A 136 136 SER CA C 145 59.154 58.801 0.353 1
1 530 . 1 1 1 A 136 136 SER CB C 145 63.615 63.586 0.029 1
1 531 . 1 1 1 A 136 136 SER N N 145 112.463 111.273 1.190 1
1 532 . 1 1 1 A 137 137 GLY H H 146 7.661 nan 7.661 1
1 533 . 1 1 1 A 137 137 GLY C C 146 174.318 174.582 -0.264 1
1 534 . 1 1 1 A 137 137 GLY CA C 146 44.946 45.230 -0.284 1
1 535 . 1 1 1 A 137 137 GLY N N 146 106.399 109.194 -2.795 1
1 536 . 1 1 1 A 138 138 VAL H H 147 7.824 nan 7.824 1
1 537 . 1 1 1 A 138 138 VAL C C 147 176.756 174.906 1.850 1
1 538 . 1 1 1 A 138 138 VAL CA C 147 62.691 62.209 0.482 1
1 539 . 1 1 1 A 138 138 VAL CB C 147 33.262 32.077 1.185 1
1 540 . 1 1 1 A 138 138 VAL N N 147 122.299 122.547 -0.248 1
1 541 . 1 1 1 A 139 139 VAL H H 148 8.122 nan 8.122 1
1 542 . 1 1 1 A 139 139 VAL C C 148 174.619 175.382 -0.763 1
1 543 . 1 1 1 A 139 139 VAL CA C 148 62.802 62.617 0.185 1
1 544 . 1 1 1 A 139 139 VAL CB C 148 32.800 31.871 0.929 1
1 545 . 1 1 1 A 139 139 VAL N N 148 126.756 127.806 -1.050 1
1 546 . 1 1 1 A 140 140 VAL H H 149 8.147 nan 8.147 1
1 547 . 1 1 1 A 140 140 VAL C C 149 174.006 175.040 -1.034 1
1 548 . 1 1 1 A 140 140 VAL CA C 149 62.963 60.918 2.045 1
1 549 . 1 1 1 A 140 140 VAL CB C 149 32.253 33.428 -1.175 1
1 550 . 1 1 1 A 140 140 VAL N N 149 128.797 128.564 0.233 1
1 551 . 1 1 1 A 141 141 VAL H H 150 8.675 nan 8.675 1
1 552 . 1 1 1 A 141 141 VAL C C 150 173.249 174.526 -1.277 1
1 553 . 1 1 1 A 141 141 VAL CA C 150 61.249 60.790 0.459 1
1 554 . 1 1 1 A 141 141 VAL CB C 150 34.882 34.612 0.270 1
1 555 . 1 1 1 A 141 141 VAL N N 150 130.813 128.241 2.572 1
1 556 . 1 1 1 A 142 142 ALA H H 151 9.524 nan 9.524 1
1 557 . 1 1 1 A 142 142 ALA C C 151 175.722 175.726 -0.004 1
1 558 . 1 1 1 A 142 142 ALA CA C 151 50.266 51.261 -0.995 1
1 559 . 1 1 1 A 142 142 ALA CB C 151 24.230 23.154 1.076 1
1 560 . 1 1 1 A 142 142 ALA N N 151 127.983 127.709 0.274 1
1 561 . 1 1 1 A 143 143 ALA H H 152 7.527 nan 7.527 1
1 562 . 1 1 1 A 143 143 ALA C C 152 176.720 178.376 -1.656 1
1 563 . 1 1 1 A 143 143 ALA CA C 152 51.850 52.115 -0.265 1
1 564 . 1 1 1 A 143 143 ALA CB C 152 21.736 19.671 2.065 1
1 565 . 1 1 1 A 143 143 ALA N N 152 121.682 123.190 -1.508 1
1 566 . 1 1 1 A 144 144 ALA H H 153 8.688 nan 8.688 1
1 567 . 1 1 1 A 144 144 ALA C C 153 175.311 177.601 -2.290 1
1 568 . 1 1 1 A 144 144 ALA CA C 153 54.146 53.098 1.048 1
1 569 . 1 1 1 A 144 144 ALA CB C 153 20.030 19.348 0.682 1
1 570 . 1 1 1 A 144 144 ALA N N 153 120.251 122.927 -2.676 1
1 571 . 1 1 1 A 145 145 GLY H H 154 7.139 nan 7.139 1
1 572 . 1 1 1 A 145 145 GLY C C 154 173.002 173.403 -0.401 1
1 573 . 1 1 1 A 145 145 GLY CA C 154 41.975 43.996 -2.021 1
1 574 . 1 1 1 A 145 145 GLY N N 154 103.250 104.572 -1.322 1
1 575 . 1 1 1 A 146 146 ASN H H 155 7.228 nan 7.228 1
1 576 . 1 1 1 A 146 146 ASN C C 155 177.735 175.658 2.077 1
1 577 . 1 1 1 A 146 146 ASN CA C 155 51.063 52.402 -1.339 1
1 578 . 1 1 1 A 146 146 ASN CB C 155 38.575 39.021 -0.446 1
1 579 . 1 1 1 A 146 146 ASN N N 155 118.374 116.601 1.773 1
1 580 . 1 1 1 A 147 147 GLU H H 156 7.430 nan 7.430 1
1 581 . 1 1 1 A 147 147 GLU C C 156 177.142 177.309 -0.167 1
1 582 . 1 1 1 A 147 147 GLU CA C 156 55.478 56.434 -0.956 1
1 583 . 1 1 1 A 147 147 GLU CB C 156 30.269 30.702 -0.433 1
1 584 . 1 1 1 A 147 147 GLU N N 156 115.772 120.488 -4.716 1
1 585 . 1 1 1 A 148 148 GLY H H 157 7.622 nan 7.622 1
1 586 . 1 1 1 A 148 148 GLY C C 157 171.826 173.709 -1.883 1
1 587 . 1 1 1 A 148 148 GLY CA C 157 45.839 45.521 0.318 1
1 588 . 1 1 1 A 148 148 GLY N N 157 106.977 107.898 -0.921 1
1 589 . 1 1 1 A 149 149 THR H H 158 7.907 nan 7.907 1
1 590 . 1 1 1 A 149 149 THR C C 158 175.062 173.614 1.448 1
1 591 . 1 1 1 A 149 149 THR CA C 158 59.962 60.257 -0.295 1
1 592 . 1 1 1 A 149 149 THR CB C 158 70.924 71.436 -0.512 1
1 593 . 1 1 1 A 149 149 THR N N 158 110.544 113.786 -3.242 1
1 594 . 1 1 1 A 150 150 SER H H 159 9.872 nan 9.872 1
1 595 . 1 1 1 A 150 150 SER CA C 159 56.501 56.899 -0.398 1
1 596 . 1 1 1 A 150 150 SER CB C 159 62.944 63.858 -0.914 1
1 597 . 1 1 1 A 150 150 SER N N 159 119.055 118.639 0.416 1
1 598 . 1 1 1 A 154 154 SER C C 163 177.492 175.369 2.123 1
1 599 . 1 1 1 A 154 154 SER CA C 163 57.371 57.559 -0.188 1
1 600 . 1 1 1 A 154 154 SER CB C 163 63.261 63.616 -0.355 1
1 601 . 1 1 1 A 155 155 THR H H 164 9.625 nan 9.625 1
1 602 . 1 1 1 A 155 155 THR C C 164 176.132 174.801 1.331 1
1 603 . 1 1 1 A 155 155 THR CA C 164 59.849 62.215 -2.366 1
1 604 . 1 1 1 A 155 155 THR CB C 164 69.118 69.612 -0.494 1
1 605 . 1 1 1 A 155 155 THR N N 164 119.248 115.175 4.073 1
1 606 . 1 1 1 A 156 156 VAL H H 165 7.379 nan 7.379 1
1 607 . 1 1 1 A 156 156 VAL C C 165 175.843 176.065 -0.222 1
1 608 . 1 1 1 A 156 156 VAL CA C 165 63.598 62.903 0.695 1
1 609 . 1 1 1 A 156 156 VAL CB C 165 31.833 31.608 0.225 1
1 610 . 1 1 1 A 156 156 VAL N N 165 127.551 123.771 3.780 1
1 611 . 1 1 1 A 157 157 GLY H H 166 8.631 nan 8.631 1
1 612 . 1 1 1 A 157 157 GLY C C 166 171.895 172.533 -0.638 1
1 613 . 1 1 1 A 157 157 GLY CA C 166 46.119 44.399 1.720 1
1 614 . 1 1 1 A 157 157 GLY N N 166 104.526 115.202 -10.676 1
1 615 . 1 1 1 A 158 158 TYR H H 167 7.449 nan 7.449 1
1 616 . 1 1 1 A 158 158 TYR CA C 167 61.905 56.196 5.709 1
1 617 . 1 1 1 A 158 158 TYR CB C 167 34.092 39.153 -5.061 1
1 618 . 1 1 1 A 158 158 TYR N N 167 119.223 118.703 0.520 1
1 619 . 1 1 1 A 159 159 PRO C C 168 175.889 177.862 -1.973 1
1 620 . 1 1 1 A 159 159 PRO CA C 168 63.663 63.917 -0.254 1
1 621 . 1 1 1 A 159 159 PRO CB C 168 32.257 32.158 0.099 1
1 622 . 1 1 1 A 160 160 GLY H H 169 8.599 nan 8.599 1
1 623 . 1 1 1 A 160 160 GLY C C 169 172.398 175.657 -3.259 1
1 624 . 1 1 1 A 160 160 GLY CA C 169 44.063 46.721 -2.658 1
1 625 . 1 1 1 A 160 160 GLY N N 169 114.465 107.820 6.645 1
1 626 . 1 1 1 A 161 161 LYS H H 170 9.021 nan 9.021 1
1 627 . 1 1 1 A 161 161 LYS CA C 170 56.801 58.785 -1.984 1
1 628 . 1 1 1 A 161 161 LYS CB C 170 38.395 31.282 7.113 1
1 629 . 1 1 1 A 161 161 LYS N N 170 115.217 121.482 -6.265 1
1 630 . 1 1 1 A 163 163 PRO C C 172 178.267 178.135 0.132 1
1 631 . 1 1 1 A 163 163 PRO CA C 172 64.698 65.274 -0.576 1
1 632 . 1 1 1 A 163 163 PRO CB C 172 31.789 31.910 -0.121 1
1 633 . 1 1 1 A 164 164 SER H H 173 7.898 nan 7.898 1
1 634 . 1 1 1 A 164 164 SER C C 173 172.757 174.274 -1.517 1
1 635 . 1 1 1 A 164 164 SER CA C 173 58.992 60.409 -1.417 1
1 636 . 1 1 1 A 164 164 SER CB C 173 62.941 62.853 0.088 1
1 637 . 1 1 1 A 164 164 SER N N 173 111.427 110.094 1.333 1
1 638 . 1 1 1 A 165 165 VAL H H 174 7.600 nan 7.600 1
1 639 . 1 1 1 A 165 165 VAL C C 174 174.465 175.560 -1.095 1
1 640 . 1 1 1 A 165 165 VAL CA C 174 61.742 61.907 -0.165 1
1 641 . 1 1 1 A 165 165 VAL CB C 174 34.134 32.726 1.408 1
1 642 . 1 1 1 A 165 165 VAL N N 174 123.746 122.387 1.359 1
1 643 . 1 1 1 A 166 166 ILE H H 175 7.728 nan 7.728 1
1 644 . 1 1 1 A 166 166 ILE C C 175 173.497 175.322 -1.825 1
1 645 . 1 1 1 A 166 166 ILE CA C 175 61.693 62.728 -1.035 1
1 646 . 1 1 1 A 166 166 ILE CB C 175 38.901 37.258 1.643 1
1 647 . 1 1 1 A 166 166 ILE N N 175 124.736 128.835 -4.099 1
1 648 . 1 1 1 A 167 167 ALA H H 176 11.224 nan 11.224 1
1 649 . 1 1 1 A 167 167 ALA C C 176 178.785 176.128 2.657 1
1 650 . 1 1 1 A 167 167 ALA CA C 176 50.929 50.343 0.586 1
1 651 . 1 1 1 A 167 167 ALA CB C 176 19.297 20.533 -1.236 1
1 652 . 1 1 1 A 167 167 ALA N N 176 134.938 131.159 3.779 1
1 653 . 1 1 1 A 168 168 VAL H H 177 8.639 nan 8.639 1
1 654 . 1 1 1 A 168 168 VAL C C 177 176.665 175.931 0.734 1
1 655 . 1 1 1 A 168 168 VAL CA C 177 61.521 61.226 0.295 1
1 656 . 1 1 1 A 168 168 VAL CB C 177 34.268 33.720 0.548 1
1 657 . 1 1 1 A 168 168 VAL N N 177 122.383 122.986 -0.603 1
1 658 . 1 1 1 A 169 169 GLY H H 178 9.040 nan 9.040 1
1 659 . 1 1 1 A 169 169 GLY C C 178 171.654 172.122 -0.468 1
1 660 . 1 1 1 A 169 169 GLY CA C 178 44.216 43.795 0.421 1
1 661 . 1 1 1 A 169 169 GLY N N 178 117.393 115.527 1.866 1
1 662 . 1 1 1 A 170 170 ALA H H 179 7.895 nan 7.895 1
1 663 . 1 1 1 A 170 170 ALA C C 179 176.583 176.494 0.089 1
1 664 . 1 1 1 A 170 170 ALA CA C 179 50.000 50.295 -0.295 1
1 665 . 1 1 1 A 170 170 ALA CB C 179 24.491 21.740 2.751 1
1 666 . 1 1 1 A 170 170 ALA N N 179 117.850 121.770 -3.920 1
1 667 . 1 1 1 A 171 171 VAL H H 180 7.798 nan 7.798 1
1 668 . 1 1 1 A 171 171 VAL C C 180 175.463 175.566 -0.103 1
1 669 . 1 1 1 A 171 171 VAL CA C 180 58.274 59.239 -0.965 1
1 670 . 1 1 1 A 171 171 VAL CB C 180 35.894 34.960 0.934 1
1 671 . 1 1 1 A 171 171 VAL N N 180 112.072 116.644 -4.572 1
1 672 . 1 1 1 A 172 172 ASP H H 181 8.224 nan 8.224 1
1 673 . 1 1 1 A 172 172 ASP C C 181 178.623 178.328 0.295 1
1 674 . 1 1 1 A 172 172 ASP CA C 181 52.163 52.079 0.084 1
1 675 . 1 1 1 A 172 172 ASP CB C 181 42.220 41.755 0.465 1
1 676 . 1 1 1 A 172 172 ASP N N 181 119.980 122.858 -2.878 1
1 677 . 1 1 1 A 173 173 SER H H 182 8.186 nan 8.186 1
1 678 . 1 1 1 A 173 173 SER C C 182 175.216 174.749 0.467 1
1 679 . 1 1 1 A 173 173 SER CA C 182 60.801 60.682 0.119 1
1 680 . 1 1 1 A 173 173 SER CB C 182 63.103 63.065 0.038 1
1 681 . 1 1 1 A 173 173 SER N N 182 112.828 114.574 -1.746 1
1 682 . 1 1 1 A 174 174 SER H H 183 8.440 nan 8.440 1
1 683 . 1 1 1 A 174 174 SER C C 183 173.899 174.267 -0.368 1
1 684 . 1 1 1 A 174 174 SER CA C 183 57.871 57.830 0.041 1
1 685 . 1 1 1 A 174 174 SER CB C 183 64.236 62.941 1.295 1
1 686 . 1 1 1 A 174 174 SER N N 183 118.765 114.238 4.527 1
1 687 . 1 1 1 A 175 175 ASN H H 184 7.992 nan 7.992 1
1 688 . 1 1 1 A 175 175 ASN C C 184 173.243 173.988 -0.745 1
1 689 . 1 1 1 A 175 175 ASN CA C 184 55.275 54.978 0.297 1
1 690 . 1 1 1 A 175 175 ASN CB C 184 36.345 37.165 -0.820 1
1 691 . 1 1 1 A 175 175 ASN N N 184 113.360 114.783 -1.423 1
1 692 . 1 1 1 A 176 176 GLN H H 185 8.001 nan 8.001 1
1 693 . 1 1 1 A 176 176 GLN C C 185 176.556 175.380 1.176 1
1 694 . 1 1 1 A 176 176 GLN CA C 185 54.713 55.313 -0.600 1
1 695 . 1 1 1 A 176 176 GLN CB C 185 29.792 30.274 -0.482 1
1 696 . 1 1 1 A 176 176 GLN N N 185 117.179 119.176 -1.997 1
1 697 . 1 1 1 A 177 177 ARG H H 186 8.169 nan 8.169 1
1 698 . 1 1 1 A 177 177 ARG C C 186 176.085 176.312 -0.227 1
1 699 . 1 1 1 A 177 177 ARG CA C 186 56.758 56.686 0.072 1
1 700 . 1 1 1 A 177 177 ARG CB C 186 29.629 29.984 -0.355 1
1 701 . 1 1 1 A 177 177 ARG N N 186 123.118 126.429 -3.311 1
1 702 . 1 1 1 A 178 178 ALA H H 187 8.066 nan 8.066 1
1 703 . 1 1 1 A 178 178 ALA CA C 187 50.927 51.961 -1.034 1
1 704 . 1 1 1 A 178 178 ALA CB C 187 18.788 18.833 -0.045 1
1 705 . 1 1 1 A 178 178 ALA N N 187 131.074 130.145 0.929 1
1 706 . 1 1 1 A 179 179 SER C C 188 174.989 176.029 -1.040 1
1 707 . 1 1 1 A 179 179 SER CA C 188 61.570 61.882 -0.312 1
1 708 . 1 1 1 A 179 179 SER CB C 188 62.684 62.522 0.162 1
1 709 . 1 1 1 A 180 180 PHE H H 189 6.017 nan 6.017 1
1 710 . 1 1 1 A 180 180 PHE C C 189 176.405 176.161 0.244 1
1 711 . 1 1 1 A 180 180 PHE CA C 189 55.627 58.508 -2.881 1
1 712 . 1 1 1 A 180 180 PHE CB C 189 39.469 38.094 1.375 1
1 713 . 1 1 1 A 180 180 PHE N N 189 111.458 114.165 -2.707 1
1 714 . 1 1 1 A 181 181 SER H H 190 7.132 nan 7.132 1
1 715 . 1 1 1 A 181 181 SER C C 190 175.124 174.720 0.404 1
1 716 . 1 1 1 A 181 181 SER CA C 190 60.333 58.541 1.792 1
1 717 . 1 1 1 A 181 181 SER CB C 190 63.653 63.166 0.487 1
1 718 . 1 1 1 A 181 181 SER N N 190 118.723 117.011 1.712 1
1 719 . 1 1 1 A 182 182 SER H H 191 8.479 nan 8.479 1
1 720 . 1 1 1 A 182 182 SER C C 191 171.099 174.612 -3.513 1
1 721 . 1 1 1 A 182 182 SER CA C 191 62.397 59.343 3.054 1
1 722 . 1 1 1 A 182 182 SER CB C 191 65.257 64.027 1.230 1
1 723 . 1 1 1 A 182 182 SER N N 191 127.017 123.256 3.761 1
1 724 . 1 1 1 A 183 183 VAL H H 192 7.331 nan 7.331 1
1 725 . 1 1 1 A 183 183 VAL C C 192 173.257 174.092 -0.835 1
1 726 . 1 1 1 A 183 183 VAL CA C 192 58.864 59.109 -0.245 1
1 727 . 1 1 1 A 183 183 VAL CB C 192 34.120 34.772 -0.652 1
1 728 . 1 1 1 A 183 183 VAL N N 192 110.187 119.904 -9.717 1
1 729 . 1 1 1 A 184 184 GLY H H 193 7.750 nan 7.750 1
1 730 . 1 1 1 A 184 184 GLY CA C 193 43.724 44.013 -0.289 1
1 731 . 1 1 1 A 184 184 GLY N N 193 107.340 108.388 -1.048 1
1 732 . 1 1 1 A 185 185 PRO C C 194 177.278 177.306 -0.028 1
1 733 . 1 1 1 A 185 185 PRO CA C 194 63.963 64.935 -0.972 1
1 734 . 1 1 1 A 185 185 PRO CB C 194 31.925 31.918 0.007 1
1 735 . 1 1 1 A 186 186 GLU H H 195 8.378 nan 8.378 1
1 736 . 1 1 1 A 186 186 GLU C C 195 174.165 176.465 -2.300 1
1 737 . 1 1 1 A 186 186 GLU CA C 195 57.214 57.336 -0.122 1
1 738 . 1 1 1 A 186 186 GLU CB C 195 28.451 30.033 -1.582 1
1 739 . 1 1 1 A 186 186 GLU N N 195 116.097 116.955 -0.858 1
1 740 . 1 1 1 A 187 187 LEU H H 196 6.793 nan 6.793 1
1 741 . 1 1 1 A 187 187 LEU C C 196 175.630 175.939 -0.309 1
1 742 . 1 1 1 A 187 187 LEU CA C 196 55.428 55.607 -0.179 1
1 743 . 1 1 1 A 187 187 LEU CB C 196 44.376 42.539 1.837 1
1 744 . 1 1 1 A 187 187 LEU N N 196 117.323 122.066 -4.743 1
1 745 . 1 1 1 A 188 188 ASP H H 197 7.942 nan 7.942 1
1 746 . 1 1 1 A 188 188 ASP C C 197 176.329 176.548 -0.219 1
1 747 . 1 1 1 A 188 188 ASP CA C 197 58.034 56.189 1.845 1
1 748 . 1 1 1 A 188 188 ASP CB C 197 44.857 41.647 3.210 1
1 749 . 1 1 1 A 188 188 ASP N N 197 122.804 126.071 -3.267 1
1 750 . 1 1 1 A 189 189 VAL H H 198 7.942 nan 7.942 1
1 751 . 1 1 1 A 189 189 VAL C C 198 172.471 174.066 -1.595 1
1 752 . 1 1 1 A 189 189 VAL CA C 198 58.655 59.072 -0.417 1
1 753 . 1 1 1 A 189 189 VAL CB C 198 38.111 35.532 2.579 1
1 754 . 1 1 1 A 189 189 VAL N N 198 108.221 112.515 -4.294 1
1 755 . 1 1 1 A 190 190 MET H H 199 8.386 nan 8.386 1
1 756 . 1 1 1 A 190 190 MET C C 199 175.216 175.095 0.121 1
1 757 . 1 1 1 A 190 190 MET CA C 199 51.794 53.910 -2.116 1
1 758 . 1 1 1 A 190 190 MET CB C 199 36.383 35.188 1.195 1
1 759 . 1 1 1 A 190 190 MET N N 199 113.813 120.893 -7.080 1
1 760 . 1 1 1 A 191 191 ALA H H 200 8.444 nan 8.444 1
1 761 . 1 1 1 A 191 191 ALA CA C 200 50.045 49.962 0.083 1
1 762 . 1 1 1 A 191 191 ALA CB C 200 20.936 22.476 -1.540 1
1 763 . 1 1 1 A 191 191 ALA N N 200 118.732 124.032 -5.300 1
1 764 . 1 1 1 A 194 194 VAL C C 203 174.911 175.845 -0.934 1
1 765 . 1 1 1 A 194 194 VAL CA C 203 62.051 61.537 0.514 1
1 766 . 1 1 1 A 194 194 VAL CB C 203 34.203 32.968 1.235 1
1 767 . 1 1 1 A 195 195 SER H H 204 9.569 nan 9.569 1
1 768 . 1 1 1 A 195 195 SER C C 204 172.976 173.657 -0.681 1
1 769 . 1 1 1 A 195 195 SER CA C 204 59.130 58.491 0.639 1
1 770 . 1 1 1 A 195 195 SER CB C 204 61.202 61.605 -0.403 1
1 771 . 1 1 1 A 195 195 SER N N 204 125.231 120.122 5.109 1
1 772 . 1 1 1 A 196 196 ILE H H 205 8.448 nan 8.448 1
1 773 . 1 1 1 A 196 196 ILE C C 205 176.475 175.479 0.996 1
1 774 . 1 1 1 A 196 196 ILE CA C 205 57.601 60.785 -3.184 1
1 775 . 1 1 1 A 196 196 ILE CB C 205 36.649 38.152 -1.503 1
1 776 . 1 1 1 A 196 196 ILE N N 205 120.353 121.061 -0.708 1
1 777 . 1 1 1 A 197 197 VAL H H 206 8.834 nan 8.834 1
1 778 . 1 1 1 A 197 197 VAL C C 206 175.186 175.381 -0.195 1
1 779 . 1 1 1 A 197 197 VAL CA C 206 63.178 61.535 1.643 1
1 780 . 1 1 1 A 197 197 VAL CB C 206 31.521 32.955 -1.434 1
1 781 . 1 1 1 A 197 197 VAL N N 206 132.107 125.905 6.202 1
1 782 . 1 1 1 A 198 198 SER H H 207 8.169 nan 8.169 1
1 783 . 1 1 1 A 198 198 SER C C 207 173.084 173.146 -0.062 1
1 784 . 1 1 1 A 198 198 SER CA C 207 54.084 55.846 -1.762 1
1 785 . 1 1 1 A 198 198 SER CB C 207 60.920 65.115 -4.195 1
1 786 . 1 1 1 A 198 198 SER N N 207 120.836 120.503 0.333 1
1 787 . 1 1 1 A 199 199 THR H H 208 8.148 nan 8.148 1
1 788 . 1 1 1 A 199 199 THR C C 208 173.499 174.484 -0.985 1
1 789 . 1 1 1 A 199 199 THR CA C 208 60.778 62.335 -1.557 1
1 790 . 1 1 1 A 199 199 THR CB C 208 70.089 69.101 0.988 1
1 791 . 1 1 1 A 199 199 THR N N 208 111.825 115.467 -3.642 1
1 792 . 1 1 1 A 200 200 LEU H H 209 7.831 nan 7.831 1
1 793 . 1 1 1 A 200 200 LEU CA C 209 50.874 51.141 -0.267 1
1 794 . 1 1 1 A 200 200 LEU CB C 209 44.819 45.450 -0.631 1
1 795 . 1 1 1 A 200 200 LEU N N 209 118.647 126.548 -7.901 1
1 796 . 1 1 1 A 201 201 PRO C C 210 176.228 177.436 -1.208 1
1 797 . 1 1 1 A 201 201 PRO CA C 210 63.483 63.816 -0.333 1
1 798 . 1 1 1 A 201 201 PRO CB C 210 32.584 31.484 1.100 1
1 799 . 1 1 1 A 202 202 GLY H H 211 8.197 nan 8.197 1
1 800 . 1 1 1 A 202 202 GLY C C 211 176.069 174.230 1.839 1
1 801 . 1 1 1 A 202 202 GLY CA C 211 46.427 46.260 0.167 1
1 802 . 1 1 1 A 202 202 GLY N N 211 109.835 111.609 -1.774 1
1 803 . 1 1 1 A 203 203 ASN H H 212 8.364 nan 8.364 1
1 804 . 1 1 1 A 203 203 ASN C C 212 173.786 173.795 -0.009 1
1 805 . 1 1 1 A 203 203 ASN CA C 212 53.395 53.602 -0.207 1
1 806 . 1 1 1 A 203 203 ASN CB C 212 36.139 36.966 -0.827 1
1 807 . 1 1 1 A 203 203 ASN N N 212 115.816 115.333 0.483 1
1 808 . 1 1 1 A 204 204 LYS H H 213 6.838 nan 6.838 1
1 809 . 1 1 1 A 204 204 LYS C C 213 175.797 175.063 0.734 1
1 810 . 1 1 1 A 204 204 LYS CA C 213 54.944 54.511 0.433 1
1 811 . 1 1 1 A 204 204 LYS CB C 213 37.664 36.295 1.369 1
1 812 . 1 1 1 A 204 204 LYS N N 213 116.267 116.824 -0.557 1
1 813 . 1 1 1 A 205 205 TYR H H 214 8.319 nan 8.319 1
1 814 . 1 1 1 A 205 205 TYR C C 214 176.030 175.486 0.544 1
1 815 . 1 1 1 A 205 205 TYR CA C 214 57.629 56.094 1.535 1
1 816 . 1 1 1 A 205 205 TYR CB C 214 43.544 43.039 0.505 1
1 817 . 1 1 1 A 205 205 TYR N N 214 119.615 119.473 0.142 1
1 818 . 1 1 1 A 206 206 GLY H H 215 8.973 nan 8.973 1
1 819 . 1 1 1 A 206 206 GLY C C 215 172.948 171.796 1.152 1
1 820 . 1 1 1 A 206 206 GLY CA C 215 46.103 46.143 -0.040 1
1 821 . 1 1 1 A 206 206 GLY N N 215 105.612 109.839 -4.227 1
1 822 . 1 1 1 A 207 207 ALA H H 216 8.802 nan 8.802 1
1 823 . 1 1 1 A 207 207 ALA C C 216 180.575 176.897 3.678 1
1 824 . 1 1 1 A 207 207 ALA CA C 216 51.184 51.574 -0.390 1
1 825 . 1 1 1 A 207 207 ALA CB C 216 20.629 20.142 0.487 1
1 826 . 1 1 1 A 207 207 ALA N N 216 124.491 123.004 1.487 1
1 827 . 1 1 1 A 208 208 LYS H H 217 8.229 nan 8.229 1
1 828 . 1 1 1 A 208 208 LYS C C 217 175.269 175.152 0.117 1
1 829 . 1 1 1 A 208 208 LYS CA C 217 56.326 54.730 1.596 1
1 830 . 1 1 1 A 208 208 LYS CB C 217 39.881 36.350 3.531 1
1 831 . 1 1 1 A 208 208 LYS N N 217 120.506 122.561 -2.055 1
1 832 . 1 1 1 A 209 209 SER H H 218 8.303 nan 8.303 1
1 833 . 1 1 1 A 209 209 SER C C 218 172.925 173.514 -0.589 1
1 834 . 1 1 1 A 209 209 SER CA C 218 56.719 57.222 -0.503 1
1 835 . 1 1 1 A 209 209 SER CB C 218 66.592 66.142 0.450 1
1 836 . 1 1 1 A 209 209 SER N N 218 114.863 118.496 -3.633 1
1 837 . 1 1 1 A 210 210 GLY H H 219 8.923 nan 8.923 1
1 838 . 1 1 1 A 210 210 GLY CA C 219 45.950 44.517 1.433 1
1 839 . 1 1 1 A 210 210 GLY N N 219 110.691 110.409 0.282 1
1 840 . 1 1 1 A 211 211 THR CA C 220 66.957 65.367 1.590 1
1 841 . 1 1 1 A 211 211 THR CB C 220 69.719 69.360 0.359 1
1 842 . 1 1 1 A 211 211 THR C C 220 178.274 177.757 0.517 1
1 843 . 1 1 1 A 212 212 ALA H H 221 8.516 nan 8.516 1
1 844 . 1 1 1 A 212 212 ALA C C 221 176.012 180.169 -4.157 1
1 845 . 1 1 1 A 212 212 ALA CA C 221 53.964 55.261 -1.297 1
1 846 . 1 1 1 A 212 212 ALA CB C 221 26.266 18.383 7.883 1
1 847 . 1 1 1 A 212 212 ALA N N 221 121.722 125.455 -3.733 1
1 848 . 1 1 1 A 213 213 MET H H 222 7.608 nan 7.608 1
1 849 . 1 1 1 A 213 213 MET C C 222 176.340 178.100 -1.760 1
1 850 . 1 1 1 A 213 213 MET CA C 222 57.966 58.485 -0.519 1
1 851 . 1 1 1 A 213 213 MET CB C 222 33.887 32.490 1.397 1
1 852 . 1 1 1 A 213 213 MET N N 222 118.983 116.620 2.363 1
1 853 . 1 1 1 A 214 214 ALA H H 223 7.036 nan 7.036 1
1 854 . 1 1 1 A 214 214 ALA C C 223 180.716 179.915 0.801 1
1 855 . 1 1 1 A 214 214 ALA CA C 223 54.205 55.096 -0.891 1
1 856 . 1 1 1 A 214 214 ALA CB C 223 21.014 19.101 1.913 1
1 857 . 1 1 1 A 214 214 ALA N N 223 123.320 122.518 0.802 1
1 858 . 1 1 1 A 215 215 SER H H 224 7.512 nan 7.512 1
1 859 . 1 1 1 A 215 215 SER CA C 224 64.651 62.930 1.721 1
1 860 . 1 1 1 A 215 215 SER CB C 224 61.894 61.508 0.386 1
1 861 . 1 1 1 A 215 215 SER N N 224 111.866 113.542 -1.676 1
1 862 . 1 1 1 A 216 216 PRO C C 225 179.227 179.242 -0.015 1
1 863 . 1 1 1 A 216 216 PRO CA C 225 65.432 65.480 -0.048 1
1 864 . 1 1 1 A 216 216 PRO CB C 225 32.859 31.467 1.392 1
1 865 . 1 1 1 A 217 217 HIS H H 226 7.616 nan 7.616 1
1 866 . 1 1 1 A 217 217 HIS C C 226 177.126 177.847 -0.721 1
1 867 . 1 1 1 A 217 217 HIS CA C 226 62.578 60.375 2.203 1
1 868 . 1 1 1 A 217 217 HIS CB C 226 28.305 29.791 -1.486 1
1 869 . 1 1 1 A 217 217 HIS N N 226 116.899 116.641 0.258 1
1 870 . 1 1 1 A 218 218 VAL H H 227 7.385 nan 7.385 1
1 871 . 1 1 1 A 218 218 VAL C C 227 177.185 177.824 -0.639 1
1 872 . 1 1 1 A 218 218 VAL CA C 227 65.380 65.915 -0.535 1
1 873 . 1 1 1 A 218 218 VAL CB C 227 30.471 31.710 -1.239 1
1 874 . 1 1 1 A 218 218 VAL N N 227 119.192 119.701 -0.509 1
1 875 . 1 1 1 A 219 219 ALA H H 228 8.359 nan 8.359 1
1 876 . 1 1 1 A 219 219 ALA C C 228 179.307 179.981 -0.674 1
1 877 . 1 1 1 A 219 219 ALA CA C 228 55.754 55.319 0.435 1
1 878 . 1 1 1 A 219 219 ALA CB C 228 18.397 18.501 -0.104 1
1 879 . 1 1 1 A 219 219 ALA N N 228 123.007 122.603 0.404 1
1 880 . 1 1 1 A 220 220 GLY H H 229 8.550 nan 8.550 1
1 881 . 1 1 1 A 220 220 GLY C C 229 175.196 176.090 -0.894 1
1 882 . 1 1 1 A 220 220 GLY CA C 229 47.040 47.025 0.015 1
1 883 . 1 1 1 A 220 220 GLY N N 229 102.507 103.754 -1.247 1
1 884 . 1 1 1 A 221 221 ALA H H 230 7.941 nan 7.941 1
1 885 . 1 1 1 A 221 221 ALA C C 230 178.780 179.397 -0.617 1
1 886 . 1 1 1 A 221 221 ALA CA C 230 55.691 54.674 1.017 1
1 887 . 1 1 1 A 221 221 ALA CB C 230 19.464 18.444 1.020 1
1 888 . 1 1 1 A 221 221 ALA N N 230 125.095 124.779 0.316 1
1 889 . 1 1 1 A 222 222 ALA H H 231 8.364 nan 8.364 1
1 890 . 1 1 1 A 222 222 ALA C C 231 178.090 179.487 -1.397 1
1 891 . 1 1 1 A 222 222 ALA CA C 231 55.401 55.149 0.252 1
1 892 . 1 1 1 A 222 222 ALA CB C 231 18.145 18.433 -0.288 1
1 893 . 1 1 1 A 222 222 ALA N N 231 118.878 120.172 -1.294 1
1 894 . 1 1 1 A 223 223 ALA H H 232 7.482 nan 7.482 1
1 895 . 1 1 1 A 223 223 ALA C C 232 179.260 180.081 -0.821 1
1 896 . 1 1 1 A 223 223 ALA CA C 232 55.130 55.160 -0.030 1
1 897 . 1 1 1 A 223 223 ALA CB C 232 17.160 18.466 -1.306 1
1 898 . 1 1 1 A 223 223 ALA N N 232 117.982 121.153 -3.171 1
1 899 . 1 1 1 A 224 224 LEU H H 233 8.109 nan 8.109 1
1 900 . 1 1 1 A 224 224 LEU C C 233 180.428 179.154 1.274 1
1 901 . 1 1 1 A 224 224 LEU CA C 233 58.103 58.261 -0.158 1
1 902 . 1 1 1 A 224 224 LEU CB C 233 42.324 42.132 0.192 1
1 903 . 1 1 1 A 224 224 LEU N N 233 117.450 118.404 -0.954 1
1 904 . 1 1 1 A 225 225 ILE H H 234 8.149 nan 8.149 1
1 905 . 1 1 1 A 225 225 ILE C C 234 177.611 178.036 -0.425 1
1 906 . 1 1 1 A 225 225 ILE CA C 234 66.611 65.671 0.940 1
1 907 . 1 1 1 A 225 225 ILE CB C 234 38.114 38.100 0.014 1
1 908 . 1 1 1 A 225 225 ILE N N 234 119.515 119.778 -0.263 1
1 909 . 1 1 1 A 226 226 LEU H H 235 8.105 nan 8.105 1
1 910 . 1 1 1 A 226 226 LEU C C 235 177.606 179.580 -1.974 1
1 911 . 1 1 1 A 226 226 LEU CA C 235 57.087 57.704 -0.617 1
1 912 . 1 1 1 A 226 226 LEU CB C 235 42.877 41.111 1.766 1
1 913 . 1 1 1 A 226 226 LEU N N 235 119.377 118.915 0.462 1
1 914 . 1 1 1 A 227 227 SER H H 236 7.696 nan 7.696 1
1 915 . 1 1 1 A 227 227 SER C C 236 174.716 176.559 -1.843 1
1 916 . 1 1 1 A 227 227 SER CA C 236 60.536 61.542 -1.006 1
1 917 . 1 1 1 A 227 227 SER CB C 236 64.272 62.439 1.833 1
1 918 . 1 1 1 A 227 227 SER N N 236 112.525 113.628 -1.103 1
1 919 . 1 1 1 A 228 228 LYS H H 237 6.994 nan 6.994 1
1 920 . 1 1 1 A 228 228 LYS C C 237 174.917 176.286 -1.369 1
1 921 . 1 1 1 A 228 228 LYS CA C 237 57.961 57.788 0.173 1
1 922 . 1 1 1 A 228 228 LYS CB C 237 33.911 32.891 1.020 1
1 923 . 1 1 1 A 228 228 LYS N N 237 123.356 121.735 1.621 1
1 924 . 1 1 1 A 229 229 HIS H H 238 7.986 nan 7.986 1
1 925 . 1 1 1 A 229 229 HIS CA C 238 51.598 52.673 -1.075 1
1 926 . 1 1 1 A 229 229 HIS CB C 238 27.150 28.892 -1.742 1
1 927 . 1 1 1 A 229 229 HIS N N 238 116.518 114.880 1.638 1
1 928 . 1 1 1 A 230 230 PRO C C 239 177.353 178.625 -1.272 1
1 929 . 1 1 1 A 230 230 PRO CA C 239 64.824 65.071 -0.247 1
1 930 . 1 1 1 A 230 230 PRO CB C 239 31.942 31.844 0.098 1
1 931 . 1 1 1 A 231 231 ASN H H 240 8.323 nan 8.323 1
1 932 . 1 1 1 A 231 231 ASN C C 240 176.306 176.208 0.098 1
1 933 . 1 1 1 A 231 231 ASN CA C 240 52.775 54.569 -1.794 1
1 934 . 1 1 1 A 231 231 ASN CB C 240 38.135 37.915 0.220 1
1 935 . 1 1 1 A 231 231 ASN N N 240 112.264 113.535 -1.271 1
1 936 . 1 1 1 A 232 232 TRP H H 241 7.971 nan 7.971 1
1 937 . 1 1 1 A 232 232 TRP C C 241 176.236 176.402 -0.166 1
1 938 . 1 1 1 A 232 232 TRP CA C 241 56.591 58.215 -1.624 1
1 939 . 1 1 1 A 232 232 TRP CB C 241 29.841 30.277 -0.436 1
1 940 . 1 1 1 A 232 232 TRP N N 241 123.940 121.137 2.803 1
1 941 . 1 1 1 A 233 233 THR H H 242 8.319 nan 8.319 1
1 942 . 1 1 1 A 233 233 THR C C 242 175.713 175.981 -0.268 1
1 943 . 1 1 1 A 233 233 THR CA C 242 60.010 60.650 -0.640 1
1 944 . 1 1 1 A 233 233 THR CB C 242 72.221 70.946 1.275 1
1 945 . 1 1 1 A 233 233 THR N N 242 110.156 116.179 -6.023 1
1 946 . 1 1 1 A 234 234 ASN H H 243 9.181 nan 9.181 1
1 947 . 1 1 1 A 234 234 ASN C C 243 177.651 177.760 -0.109 1
1 948 . 1 1 1 A 234 234 ASN CA C 243 56.479 56.131 0.348 1
1 949 . 1 1 1 A 234 234 ASN CB C 243 35.518 37.322 -1.804 1
1 950 . 1 1 1 A 234 234 ASN N N 243 119.788 119.734 0.054 1
1 951 . 1 1 1 A 235 235 THR H H 244 7.808 nan 7.808 1
1 952 . 1 1 1 A 235 235 THR C C 244 176.726 176.784 -0.058 1
1 953 . 1 1 1 A 235 235 THR CA C 244 65.672 65.841 -0.169 1
1 954 . 1 1 1 A 235 235 THR CB C 244 68.349 68.461 -0.112 1
1 955 . 1 1 1 A 235 235 THR N N 244 117.045 112.127 4.918 1
1 956 . 1 1 1 A 236 236 GLN H H 245 7.488 nan 7.488 1
1 957 . 1 1 1 A 236 236 GLN C C 245 178.801 178.795 0.006 1
1 958 . 1 1 1 A 236 236 GLN CA C 245 59.063 58.488 0.575 1
1 959 . 1 1 1 A 236 236 GLN CB C 245 29.105 28.071 1.034 1
1 960 . 1 1 1 A 236 236 GLN N N 245 123.755 121.686 2.069 1
1 961 . 1 1 1 A 237 237 VAL H H 246 8.577 nan 8.577 1
1 962 . 1 1 1 A 237 237 VAL C C 246 174.998 177.896 -2.898 1
1 963 . 1 1 1 A 237 237 VAL CA C 246 67.488 66.945 0.543 1
1 964 . 1 1 1 A 237 237 VAL CB C 246 31.865 31.719 0.146 1
1 965 . 1 1 1 A 237 237 VAL N N 246 120.854 120.553 0.301 1
1 966 . 1 1 1 A 238 238 ARG H H 247 8.404 nan 8.404 1
1 967 . 1 1 1 A 238 238 ARG C C 247 177.381 178.753 -1.372 1
1 968 . 1 1 1 A 238 238 ARG CA C 247 60.994 59.780 1.214 1
1 969 . 1 1 1 A 238 238 ARG CB C 247 29.890 29.934 -0.044 1
1 970 . 1 1 1 A 238 238 ARG N N 247 118.364 120.736 -2.372 1
1 971 . 1 1 1 A 239 239 SER H H 248 8.289 nan 8.289 1
1 972 . 1 1 1 A 239 239 SER C C 248 176.451 176.228 0.223 1
1 973 . 1 1 1 A 239 239 SER CA C 248 61.953 61.906 0.047 1
1 974 . 1 1 1 A 239 239 SER CB C 248 62.815 62.707 0.108 1
1 975 . 1 1 1 A 239 239 SER N N 248 113.091 116.915 -3.824 1
1 976 . 1 1 1 A 240 240 SER H H 249 8.048 nan 8.048 1
1 977 . 1 1 1 A 240 240 SER C C 249 177.406 177.082 0.324 1
1 978 . 1 1 1 A 240 240 SER CA C 249 62.852 61.916 0.936 1
1 979 . 1 1 1 A 240 240 SER CB C 249 60.172 63.147 -2.975 1
1 980 . 1 1 1 A 240 240 SER N N 249 116.602 116.698 -0.096 1
1 981 . 1 1 1 A 241 241 LEU H H 250 7.784 nan 7.784 1
1 982 . 1 1 1 A 241 241 LEU C C 250 179.012 178.746 0.266 1
1 983 . 1 1 1 A 241 241 LEU CA C 250 57.648 58.141 -0.493 1
1 984 . 1 1 1 A 241 241 LEU CB C 250 43.280 41.571 1.709 1
1 985 . 1 1 1 A 241 241 LEU N N 250 120.904 122.317 -1.413 1
1 986 . 1 1 1 A 242 242 GLU H H 251 8.226 nan 8.226 1
1 987 . 1 1 1 A 242 242 GLU C C 251 177.420 178.517 -1.097 1
1 988 . 1 1 1 A 242 242 GLU CA C 251 60.091 59.772 0.319 1
1 989 . 1 1 1 A 242 242 GLU CB C 251 30.566 29.386 1.180 1
1 990 . 1 1 1 A 242 242 GLU N N 251 115.440 117.243 -1.803 1
1 991 . 1 1 1 A 243 243 ASN H H 252 8.267 nan 8.267 1
1 992 . 1 1 1 A 243 243 ASN C C 252 176.695 176.466 0.229 1
1 993 . 1 1 1 A 243 243 ASN CA C 252 54.533 55.049 -0.516 1
1 994 . 1 1 1 A 243 243 ASN CB C 252 39.272 38.855 0.417 1
1 995 . 1 1 1 A 243 243 ASN N N 252 112.787 115.631 -2.844 1
1 996 . 1 1 1 A 244 244 THR H H 253 7.069 nan 7.069 1
1 997 . 1 1 1 A 244 244 THR C C 253 173.804 174.449 -0.645 1
1 998 . 1 1 1 A 244 244 THR CA C 253 61.335 61.047 0.288 1
1 999 . 1 1 1 A 244 244 THR CB C 253 69.109 69.347 -0.238 1
1 1000 . 1 1 1 A 244 244 THR N N 253 106.835 106.064 0.771 1
1 1001 . 1 1 1 A 245 245 THR H H 254 6.757 nan 6.757 1
1 1002 . 1 1 1 A 245 245 THR C C 254 176.549 174.296 2.253 1
1 1003 . 1 1 1 A 245 245 THR CA C 254 61.222 61.775 -0.553 1
1 1004 . 1 1 1 A 245 245 THR CB C 254 70.223 70.078 0.145 1
1 1005 . 1 1 1 A 245 245 THR N N 254 110.040 116.713 -6.673 1
1 1006 . 1 1 1 A 246 246 THR H H 255 9.021 nan 9.021 1
1 1007 . 1 1 1 A 246 246 THR C C 255 173.967 174.306 -0.339 1
1 1008 . 1 1 1 A 246 246 THR CA C 255 62.263 62.290 -0.027 1
1 1009 . 1 1 1 A 246 246 THR CB C 255 70.129 69.466 0.663 1
1 1010 . 1 1 1 A 246 246 THR N N 255 118.298 118.683 -0.385 1
1 1011 . 1 1 1 A 247 247 LYS H H 256 8.645 nan 8.645 1
1 1012 . 1 1 1 A 247 247 LYS C C 256 176.429 176.038 0.391 1
1 1013 . 1 1 1 A 247 247 LYS CA C 256 58.219 56.829 1.390 1
1 1014 . 1 1 1 A 247 247 LYS CB C 256 32.178 32.328 -0.150 1
1 1015 . 1 1 1 A 247 247 LYS N N 256 130.611 127.278 3.333 1
1 1016 . 1 1 1 A 248 248 LEU H H 257 7.575 nan 7.575 1
1 1017 . 1 1 1 A 248 248 LEU C C 257 175.429 176.274 -0.845 1
1 1018 . 1 1 1 A 248 248 LEU CA C 257 53.806 53.777 0.029 1
1 1019 . 1 1 1 A 248 248 LEU CB C 257 44.349 42.512 1.837 1
1 1020 . 1 1 1 A 248 248 LEU N N 257 123.320 126.334 -3.014 1
1 1021 . 1 1 1 A 249 249 GLY H H 258 6.078 nan 6.078 1
1 1022 . 1 1 1 A 249 249 GLY CA C 258 44.640 44.418 0.222 1
1 1023 . 1 1 1 A 249 249 GLY N N 258 104.504 110.273 -5.769 1
1 1024 . 1 1 1 A 250 250 ASP C C 259 175.269 177.368 -2.099 1
1 1025 . 1 1 1 A 250 250 ASP CA C 259 57.343 55.143 2.200 1
1 1026 . 1 1 1 A 250 250 ASP CB C 259 42.115 42.799 -0.684 1
1 1027 . 1 1 1 A 251 251 SER H H 260 8.850 nan 8.850 1
1 1028 . 1 1 1 A 251 251 SER C C 260 176.662 176.686 -0.024 1
1 1029 . 1 1 1 A 251 251 SER CA C 260 65.432 61.744 3.688 1
1 1030 . 1 1 1 A 251 251 SER CB C 260 63.189 62.499 0.690 1
1 1031 . 1 1 1 A 251 251 SER N N 260 115.606 122.411 -6.805 1
1 1032 . 1 1 1 A 252 252 PHE H H 261 8.809 nan 8.809 1
1 1033 . 1 1 1 A 252 252 PHE C C 261 172.875 176.387 -3.512 1
1 1034 . 1 1 1 A 252 252 PHE CA C 261 61.891 61.287 0.604 1
1 1035 . 1 1 1 A 252 252 PHE CB C 261 39.931 38.809 1.122 1
1 1036 . 1 1 1 A 252 252 PHE N N 261 126.172 124.130 2.042 1
1 1037 . 1 1 1 A 253 253 TYR H H 262 7.089 nan 7.089 1
1 1038 . 1 1 1 A 253 253 TYR C C 262 175.990 176.884 -0.894 1
1 1039 . 1 1 1 A 253 253 TYR CA C 262 58.711 59.787 -1.076 1
1 1040 . 1 1 1 A 253 253 TYR CB C 262 41.747 39.828 1.919 1
1 1041 . 1 1 1 A 253 253 TYR N N 262 108.785 114.703 -5.918 1
1 1042 . 1 1 1 A 254 254 TYR H H 263 7.882 nan 7.882 1
1 1043 . 1 1 1 A 254 254 TYR C C 263 175.378 176.325 -0.947 1
1 1044 . 1 1 1 A 254 254 TYR CA C 263 58.630 58.343 0.287 1
1 1045 . 1 1 1 A 254 254 TYR CB C 263 42.199 40.200 1.999 1
1 1046 . 1 1 1 A 254 254 TYR N N 263 113.731 114.607 -0.876 1
1 1047 . 1 1 1 A 255 255 GLY H H 264 8.323 nan 8.323 1
1 1048 . 1 1 1 A 255 255 GLY C C 264 175.361 175.625 -0.264 1
1 1049 . 1 1 1 A 255 255 GLY CA C 264 46.616 46.963 -0.347 1
1 1050 . 1 1 1 A 255 255 GLY N N 264 110.198 108.865 1.333 1
1 1051 . 1 1 1 A 256 256 LYS H H 265 8.964 nan 8.964 1
1 1052 . 1 1 1 A 256 256 LYS C C 265 177.293 176.766 0.527 1
1 1053 . 1 1 1 A 256 256 LYS CA C 265 57.663 56.712 0.951 1
1 1054 . 1 1 1 A 256 256 LYS CB C 265 32.618 32.928 -0.310 1
1 1055 . 1 1 1 A 256 256 LYS N N 265 123.662 126.117 -2.455 1
1 1056 . 1 1 1 A 257 257 GLY H H 266 8.245 nan 8.245 1
1 1057 . 1 1 1 A 257 257 GLY C C 266 172.128 172.558 -0.430 1
1 1058 . 1 1 1 A 257 257 GLY CA C 266 43.890 43.889 0.001 1
1 1059 . 1 1 1 A 257 257 GLY N N 266 107.719 106.407 1.312 1
1 1060 . 1 1 1 A 258 258 LEU H H 267 8.246 nan 8.246 1
1 1061 . 1 1 1 A 258 258 LEU C C 267 176.868 176.253 0.615 1
1 1062 . 1 1 1 A 258 258 LEU CA C 267 54.094 54.419 -0.325 1
1 1063 . 1 1 1 A 258 258 LEU CB C 267 45.461 43.957 1.504 1
1 1064 . 1 1 1 A 258 258 LEU N N 267 121.474 121.843 -0.369 1
1 1065 . 1 1 1 A 259 259 ILE H H 268 7.086 nan 7.086 1
1 1066 . 1 1 1 A 259 259 ILE C C 268 173.743 175.460 -1.717 1
1 1067 . 1 1 1 A 259 259 ILE CA C 268 62.860 61.125 1.735 1
1 1068 . 1 1 1 A 259 259 ILE CB C 268 39.865 38.867 0.998 1
1 1069 . 1 1 1 A 259 259 ILE N N 268 117.202 120.457 -3.255 1
1 1070 . 1 1 1 A 260 260 ASN H H 269 9.273 nan 9.273 1
1 1071 . 1 1 1 A 260 260 ASN C C 269 175.687 175.336 0.351 1
1 1072 . 1 1 1 A 260 260 ASN CA C 269 51.570 51.956 -0.386 1
1 1073 . 1 1 1 A 260 260 ASN CB C 269 39.542 39.053 0.489 1
1 1074 . 1 1 1 A 260 260 ASN N N 269 120.206 124.096 -3.890 1
1 1075 . 1 1 1 A 261 261 VAL H H 270 8.787 nan 8.787 1
1 1076 . 1 1 1 A 261 261 VAL C C 270 175.278 176.916 -1.638 1
1 1077 . 1 1 1 A 261 261 VAL CA C 270 65.250 64.864 0.386 1
1 1078 . 1 1 1 A 261 261 VAL CB C 270 32.658 31.831 0.827 1
1 1079 . 1 1 1 A 261 261 VAL N N 270 120.446 125.383 -4.937 1
1 1080 . 1 1 1 A 262 262 GLU H H 271 7.245 nan 7.245 1
1 1081 . 1 1 1 A 262 262 GLU C C 271 178.563 178.572 -0.009 1
1 1082 . 1 1 1 A 262 262 GLU CA C 271 59.910 59.304 0.606 1
1 1083 . 1 1 1 A 262 262 GLU CB C 271 29.854 29.527 0.327 1
1 1084 . 1 1 1 A 262 262 GLU N N 271 120.949 120.993 -0.044 1
1 1085 . 1 1 1 A 263 263 ALA H H 272 7.255 nan 7.255 1
1 1086 . 1 1 1 A 263 263 ALA C C 272 180.651 179.751 0.900 1
1 1087 . 1 1 1 A 263 263 ALA CA C 272 53.994 54.939 -0.945 1
1 1088 . 1 1 1 A 263 263 ALA CB C 272 19.763 18.270 1.493 1
1 1089 . 1 1 1 A 263 263 ALA N N 272 120.774 120.937 -0.163 1
1 1090 . 1 1 1 A 264 264 ALA H H 273 8.238 nan 8.238 1
1 1091 . 1 1 1 A 264 264 ALA C C 273 178.741 179.940 -1.199 1
1 1092 . 1 1 1 A 264 264 ALA CA C 273 54.852 55.014 -0.162 1
1 1093 . 1 1 1 A 264 264 ALA CB C 273 20.293 18.438 1.855 1
1 1094 . 1 1 1 A 264 264 ALA N N 273 120.503 120.493 0.010 1
1 1095 . 1 1 1 A 265 265 ALA H H 274 7.736 nan 7.736 1
1 1096 . 1 1 1 A 265 265 ALA C C 274 177.049 176.897 0.152 1
1 1097 . 1 1 1 A 265 265 ALA CA C 274 52.165 52.322 -0.157 1
1 1098 . 1 1 1 A 265 265 ALA CB C 274 20.306 19.347 0.959 1
1 1099 . 1 1 1 A 265 265 ALA N N 274 114.717 119.091 -4.374 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 213 1.407 1
2 1 1 1 "RMS(OBS, PRED)" CA 241 1.558 1
3 1 1 1 "RMS(OBS, PRED)" CB 211 1.610 1
4 1 1 1 "RMS(OBS, PRED)" H 211 nan 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 211 3.190 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 3 . 1 1 A 6 6 TYR C C 6 177.799 177.653 0.146 2
1 4 . 1 1 A 6 6 TYR CA C 6 61.439 61.746 -0.307 2
1 5 . 1 1 A 6 6 TYR CB C 6 37.975 39.112 -1.137 2
1 6 . 1 1 A 7 7 GLY H H 7 8.756 0.000 8.756 2
1 7 . 1 1 A 7 7 GLY C C 7 174.920 175.834 -0.914 2
1 8 . 1 1 A 7 7 GLY CA C 7 46.904 46.975 -0.071 2
1 9 . 1 1 A 7 7 GLY N N 7 110.022 106.277 3.745 2
1 10 . 1 1 A 8 8 VAL H H 8 7.095 0.000 7.095 2
1 11 . 1 1 A 8 8 VAL C C 8 177.999 177.478 0.521 2
1 12 . 1 1 A 8 8 VAL CA C 8 66.911 65.624 1.287 2
1 13 . 1 1 A 8 8 VAL CB C 8 32.348 31.752 0.596 2
1 14 . 1 1 A 8 8 VAL N N 8 119.487 122.283 -2.796 2
1 15 . 1 1 A 9 9 SER H H 9 7.315 0.000 7.315 2
1 16 . 1 1 A 9 9 SER C C 9 178.683 176.278 2.405 2
1 17 . 1 1 A 9 9 SER CA C 9 61.686 61.623 0.063 2
1 18 . 1 1 A 9 9 SER CB C 9 62.860 62.554 0.306 2
1 19 . 1 1 A 9 9 SER N N 9 113.579 115.556 -1.977 2
1 20 . 1 1 A 10 10 GLN H H 10 8.635 0.000 8.635 2
1 21 . 1 1 A 10 10 GLN C C 10 178.319 178.215 0.104 2
1 22 . 1 1 A 10 10 GLN CA C 10 59.693 58.960 0.733 2
1 23 . 1 1 A 10 10 GLN CB C 10 29.757 28.029 1.728 2
1 24 . 1 1 A 10 10 GLN N N 10 125.466 120.861 4.605 2
1 25 . 1 1 A 11 11 ILE H H 11 7.027 0.000 7.027 2
1 26 . 1 1 A 11 11 ILE C C 11 173.854 175.491 -1.637 2
1 27 . 1 1 A 11 11 ILE CA C 11 61.733 60.801 0.932 2
1 28 . 1 1 A 11 11 ILE CB C 11 38.088 37.609 0.479 2
1 29 . 1 1 A 11 11 ILE N N 11 106.883 111.998 -5.115 2
1 30 . 1 1 A 12 12 LYS H H 12 7.845 0.000 7.845 2
1 31 . 1 1 A 12 12 LYS C C 12 174.597 176.512 -1.915 2
1 32 . 1 1 A 12 12 LYS CA C 12 58.137 57.060 1.077 2
1 33 . 1 1 A 12 12 LYS CB C 12 28.888 29.055 -0.167 2
1 34 . 1 1 A 12 12 LYS N N 12 113.379 116.426 -3.047 2
1 35 . 1 1 A 13 13 ALA H H 13 7.262 0.000 7.262 2
1 36 . 1 1 A 13 13 ALA CA C 13 55.595 56.821 -1.226 2
1 37 . 1 1 A 13 13 ALA CB C 13 17.693 17.665 0.028 2
1 38 . 1 1 A 13 13 ALA N N 13 118.059 120.020 -1.961 2
1 39 . 1 1 A 14 14 PRO C C 14 177.167 178.748 -1.581 2
1 40 . 1 1 A 14 14 PRO CA C 14 66.171 66.014 0.157 2
1 41 . 1 1 A 14 14 PRO CB C 14 30.970 30.648 0.322 2
1 42 . 1 1 A 15 15 ALA H H 15 7.330 0.000 7.330 2
1 43 . 1 1 A 15 15 ALA C C 15 180.416 179.620 0.796 2
1 44 . 1 1 A 15 15 ALA CA C 15 54.872 54.838 0.034 2
1 45 . 1 1 A 15 15 ALA CB C 15 18.410 18.568 -0.158 2
1 46 . 1 1 A 15 15 ALA N N 15 118.791 118.778 0.013 2
1 47 . 1 1 A 16 16 LEU H H 16 7.281 0.000 7.281 2
1 48 . 1 1 A 16 16 LEU C C 16 179.584 179.215 0.369 2
1 49 . 1 1 A 16 16 LEU CA C 16 56.523 56.992 -0.469 2
1 50 . 1 1 A 16 16 LEU CB C 16 40.171 41.695 -1.524 2
1 51 . 1 1 A 16 16 LEU N N 16 119.394 119.387 0.007 2
1 52 . 1 1 A 17 17 HIS H H 17 7.620 0.000 7.620 2
1 53 . 1 1 A 17 17 HIS C C 17 180.908 177.912 2.996 2
1 54 . 1 1 A 17 17 HIS CA C 17 58.146 59.930 -1.784 2
1 55 . 1 1 A 17 17 HIS CB C 17 31.476 29.676 1.800 2
1 56 . 1 1 A 17 17 HIS N N 17 120.747 118.156 2.591 2
1 57 . 1 1 A 18 18 SER H H 18 8.415 0.000 8.415 2
1 58 . 1 1 A 18 18 SER C C 18 175.397 177.055 -1.658 2
1 59 . 1 1 A 18 18 SER CA C 18 61.550 61.724 -0.174 2
1 60 . 1 1 A 18 18 SER CB C 18 63.228 62.291 0.937 2
1 61 . 1 1 A 18 18 SER N N 18 114.281 115.931 -1.650 2
1 62 . 1 1 A 19 19 GLN H H 19 7.235 0.000 7.235 2
1 63 . 1 1 A 19 19 GLN C C 19 175.255 175.975 -0.720 2
1 64 . 1 1 A 19 19 GLN CA C 19 56.163 55.740 0.423 2
1 65 . 1 1 A 19 19 GLN CB C 19 30.625 29.105 1.520 2
1 66 . 1 1 A 19 19 GLN N N 19 118.974 117.668 1.306 2
1 67 . 1 1 A 20 20 GLY H H 20 7.630 0.000 7.630 2
1 68 . 1 1 A 20 20 GLY C C 20 173.511 173.544 -0.033 2
1 69 . 1 1 A 20 20 GLY CA C 20 44.701 45.202 -0.501 2
1 70 . 1 1 A 20 20 GLY N N 20 104.752 107.378 -2.626 2
1 71 . 1 1 A 21 21 TYR H H 21 7.768 0.000 7.768 2
1 72 . 1 1 A 21 21 TYR C C 21 174.330 175.168 -0.838 2
1 73 . 1 1 A 21 21 TYR CA C 21 57.815 56.708 1.107 2
1 74 . 1 1 A 21 21 TYR CB C 21 38.226 39.578 -1.352 2
1 75 . 1 1 A 21 21 TYR N N 21 121.954 118.760 3.194 2
1 76 . 1 1 A 22 22 THR H H 22 8.858 0.000 8.858 2
1 77 . 1 1 A 22 22 THR C C 22 175.338 174.854 0.484 2
1 78 . 1 1 A 22 22 THR CA C 22 60.471 61.077 -0.606 2
1 79 . 1 1 A 22 22 THR CB C 22 70.041 70.091 -0.050 2
1 80 . 1 1 A 22 22 THR N N 22 108.389 113.842 -5.453 2
1 81 . 1 1 A 23 23 GLY H H 23 8.077 0.000 8.077 2
1 82 . 1 1 A 23 23 GLY C C 23 171.869 174.670 -2.801 2
1 83 . 1 1 A 23 23 GLY CA C 23 45.359 45.988 -0.629 2
1 84 . 1 1 A 23 23 GLY N N 23 109.845 110.692 -0.847 2
1 85 . 1 1 A 24 24 SER H H 24 7.669 0.000 7.669 2
1 86 . 1 1 A 24 24 SER C C 24 174.442 175.174 -0.732 2
1 87 . 1 1 A 24 24 SER CA C 24 60.233 58.739 1.494 2
1 88 . 1 1 A 24 24 SER CB C 24 63.147 62.963 0.184 2
1 89 . 1 1 A 24 24 SER N N 24 113.460 115.969 -2.509 2
1 90 . 1 1 A 25 25 ASN H H 25 8.626 0.000 8.626 2
1 91 . 1 1 A 25 25 ASN C C 25 173.901 174.289 -0.388 2
1 92 . 1 1 A 25 25 ASN CA C 25 55.184 54.706 0.478 2
1 93 . 1 1 A 25 25 ASN CB C 25 37.881 37.240 0.641 2
1 94 . 1 1 A 25 25 ASN N N 25 116.786 120.074 -3.288 2
1 95 . 1 1 A 26 26 VAL H H 26 7.722 0.000 7.722 2
1 96 . 1 1 A 26 26 VAL C C 26 174.979 174.880 0.099 2
1 97 . 1 1 A 26 26 VAL CA C 26 63.183 61.473 1.710 2
1 98 . 1 1 A 26 26 VAL CB C 26 33.029 33.504 -0.475 2
1 99 . 1 1 A 26 26 VAL N N 26 121.434 119.348 2.086 2
1 100 . 1 1 A 27 27 LYS H H 27 10.000 0.000 10.000 2
1 101 . 1 1 A 27 27 LYS C C 27 176.113 175.819 0.294 2
1 102 . 1 1 A 27 27 LYS CA C 27 56.652 56.075 0.577 2
1 103 . 1 1 A 27 27 LYS CB C 27 34.206 33.286 0.920 2
1 104 . 1 1 A 27 27 LYS N N 27 128.923 129.317 -0.394 2
1 105 . 1 1 A 28 28 VAL H H 28 9.345 0.000 9.345 2
1 106 . 1 1 A 28 28 VAL C C 28 174.508 174.495 0.013 2
1 107 . 1 1 A 28 28 VAL CA C 28 60.507 60.922 -0.415 2
1 108 . 1 1 A 28 28 VAL CB C 28 33.871 34.239 -0.368 2
1 109 . 1 1 A 28 28 VAL N N 28 125.231 125.578 -0.347 2
1 110 . 1 1 A 29 29 ALA H H 29 9.126 0.000 9.126 2
1 111 . 1 1 A 29 29 ALA C C 29 175.607 176.050 -0.443 2
1 112 . 1 1 A 29 29 ALA CA C 29 50.677 50.328 0.349 2
1 113 . 1 1 A 29 29 ALA CB C 29 19.714 20.733 -1.019 2
1 114 . 1 1 A 29 29 ALA N N 29 128.205 130.200 -1.995 2
1 115 . 1 1 A 30 30 VAL H H 30 9.038 0.000 9.038 2
1 116 . 1 1 A 30 30 VAL CA C 30 63.069 61.906 1.163 2
1 117 . 1 1 A 30 30 VAL CB C 30 31.243 32.249 -1.006 2
1 118 . 1 1 A 30 30 VAL N N 30 126.847 123.554 3.293 2
1 119 . 1 1 A 31 31 ILE C C 31 174.769 174.344 0.425 2
1 120 . 1 1 A 31 31 ILE CA C 31 62.549 61.178 1.371 2
1 121 . 1 1 A 31 31 ILE CB C 31 36.245 36.925 -0.680 2
1 122 . 1 1 A 32 32 ASP H H 32 8.849 0.000 8.849 2
1 123 . 1 1 A 32 32 ASP C C 32 176.608 176.738 -0.130 2
1 124 . 1 1 A 32 32 ASP CA C 32 55.704 53.720 1.984 2
1 125 . 1 1 A 32 32 ASP CB C 32 45.915 45.244 0.671 2
1 126 . 1 1 A 32 32 ASP N N 32 131.362 129.735 1.627 2
1 127 . 1 1 A 33 33 SER H H 33 11.195 0.000 11.195 2
1 128 . 1 1 A 33 33 SER C C 33 172.867 173.977 -1.110 2
1 129 . 1 1 A 33 33 SER CA C 33 60.191 58.757 1.434 2
1 130 . 1 1 A 33 33 SER CB C 33 64.548 63.079 1.469 2
1 131 . 1 1 A 33 33 SER N N 33 123.046 118.053 4.993 2
1 132 . 1 1 A 34 34 GLY H H 34 7.369 0.000 7.369 2
1 133 . 1 1 A 34 34 GLY C C 34 171.527 172.878 -1.351 2
1 134 . 1 1 A 34 34 GLY CA C 34 44.170 44.048 0.122 2
1 135 . 1 1 A 34 34 GLY N N 34 108.861 108.884 -0.023 2
1 136 . 1 1 A 35 35 ILE H H 35 7.281 0.000 7.281 2
1 137 . 1 1 A 35 35 ILE C C 35 173.894 174.394 -0.500 2
1 138 . 1 1 A 35 35 ILE CA C 35 60.900 59.940 0.960 2
1 139 . 1 1 A 35 35 ILE CB C 35 43.383 41.722 1.661 2
1 140 . 1 1 A 35 35 ILE N N 35 111.684 118.076 -6.392 2
1 141 . 1 1 A 36 36 ASP H H 36 8.114 0.000 8.114 2
1 142 . 1 1 A 36 36 ASP C C 36 175.694 176.686 -0.992 2
1 143 . 1 1 A 36 36 ASP CA C 36 53.558 53.059 0.499 2
1 144 . 1 1 A 36 36 ASP CB C 36 40.369 40.166 0.203 2
1 145 . 1 1 A 36 36 ASP N N 36 123.200 126.500 -3.300 2
1 146 . 1 1 A 37 37 SER H H 37 7.790 0.000 7.790 2
1 147 . 1 1 A 37 37 SER C C 37 174.163 175.540 -1.377 2
1 148 . 1 1 A 37 37 SER CA C 37 59.586 61.449 -1.863 2
1 149 . 1 1 A 37 37 SER CB C 37 63.452 63.126 0.326 2
1 150 . 1 1 A 37 37 SER N N 37 122.379 121.286 1.093 2
1 151 . 1 1 A 38 38 SER H H 38 8.403 0.000 8.403 2
1 152 . 1 1 A 38 38 SER C C 38 174.560 174.934 -0.374 2
1 153 . 1 1 A 38 38 SER CA C 38 59.365 59.850 -0.485 2
1 154 . 1 1 A 38 38 SER CB C 38 64.066 63.294 0.772 2
1 155 . 1 1 A 38 38 SER N N 38 117.844 114.797 3.047 2
1 156 . 1 1 A 39 39 HIS H H 39 7.382 0.000 7.382 2
1 157 . 1 1 A 39 39 HIS CA C 39 56.443 55.072 1.371 2
1 158 . 1 1 A 39 39 HIS CB C 39 31.627 31.127 0.500 2
1 159 . 1 1 A 39 39 HIS N N 39 128.539 122.739 5.800 2
1 160 . 1 1 A 40 40 PRO C C 40 178.003 178.584 -0.581 2
1 161 . 1 1 A 40 40 PRO CA C 40 64.612 65.701 -1.089 2
1 162 . 1 1 A 40 40 PRO CB C 40 32.619 31.841 0.778 2
1 163 . 1 1 A 41 41 ASP H H 41 10.073 0.000 10.073 2
1 164 . 1 1 A 41 41 ASP C C 41 175.943 177.337 -1.394 2
1 165 . 1 1 A 41 41 ASP CA C 41 54.403 57.324 -2.921 2
1 166 . 1 1 A 41 41 ASP CB C 41 40.985 40.951 0.034 2
1 167 . 1 1 A 41 41 ASP N N 41 118.164 117.793 0.371 2
1 168 . 1 1 A 42 42 LEU H H 42 7.627 0.000 7.627 2
1 169 . 1 1 A 42 42 LEU C C 42 174.357 175.966 -1.609 2
1 170 . 1 1 A 42 42 LEU CA C 42 53.374 55.330 -1.956 2
1 171 . 1 1 A 42 42 LEU CB C 42 44.887 41.883 3.004 2
1 172 . 1 1 A 42 42 LEU N N 42 118.217 120.181 -1.964 2
1 173 . 1 1 A 43 43 ASN H H 43 6.168 0.000 6.168 2
1 174 . 1 1 A 43 43 ASN C C 43 174.025 173.886 0.139 2
1 175 . 1 1 A 43 43 ASN CA C 43 52.532 51.832 0.700 2
1 176 . 1 1 A 43 43 ASN CB C 43 40.180 39.898 0.282 2
1 177 . 1 1 A 43 43 ASN N N 43 117.931 123.644 -5.713 2
1 178 . 1 1 A 44 44 VAL H H 44 8.375 0.000 8.375 2
1 179 . 1 1 A 44 44 VAL C C 44 174.800 176.034 -1.234 2
1 180 . 1 1 A 44 44 VAL CA C 44 61.733 61.495 0.238 2
1 181 . 1 1 A 44 44 VAL CB C 44 33.459 32.930 0.529 2
1 182 . 1 1 A 44 44 VAL N N 44 123.770 126.829 -3.059 2
1 183 . 1 1 A 45 45 ALA H H 45 8.886 0.000 8.886 2
1 184 . 1 1 A 45 45 ALA C C 45 177.129 176.903 0.226 2
1 185 . 1 1 A 45 45 ALA CA C 45 53.023 53.054 -0.031 2
1 186 . 1 1 A 45 45 ALA CB C 45 19.626 19.569 0.057 2
1 187 . 1 1 A 45 45 ALA N N 45 129.895 129.819 0.076 2
1 188 . 1 1 A 46 46 GLY H H 46 7.010 0.000 7.010 2
1 189 . 1 1 A 46 46 GLY C C 46 171.992 171.675 0.317 2
1 190 . 1 1 A 46 46 GLY CA C 46 45.631 45.943 -0.312 2
1 191 . 1 1 A 46 46 GLY N N 46 102.897 103.122 -0.225 2
1 192 . 1 1 A 47 47 GLY H H 47 9.034 0.000 9.034 2
1 193 . 1 1 A 47 47 GLY C C 47 170.085 170.831 -0.746 2
1 194 . 1 1 A 47 47 GLY CA C 47 46.509 45.586 0.923 2
1 195 . 1 1 A 47 47 GLY N N 47 107.837 107.978 -0.141 2
1 196 . 1 1 A 48 48 ALA H H 48 8.014 0.000 8.014 2
1 197 . 1 1 A 48 48 ALA C C 48 174.949 174.691 0.258 2
1 198 . 1 1 A 48 48 ALA CA C 48 51.969 50.840 1.129 2
1 199 . 1 1 A 48 48 ALA CB C 48 21.972 22.313 -0.341 2
1 200 . 1 1 A 48 48 ALA N N 48 118.081 120.912 -2.831 2
1 201 . 1 1 A 49 49 SER H H 49 8.346 0.000 8.346 2
1 202 . 1 1 A 49 49 SER CA C 49 54.855 55.668 -0.813 2
1 203 . 1 1 A 49 49 SER CB C 49 64.582 64.707 -0.125 2
1 204 . 1 1 A 49 49 SER N N 49 112.572 114.043 -1.471 2
1 205 . 1 1 A 50 50 PHE C C 50 174.743 174.978 -0.235 2
1 206 . 1 1 A 50 50 PHE CA C 50 63.185 57.443 5.742 2
1 207 . 1 1 A 50 50 PHE CB C 50 31.442 39.842 -8.400 2
1 208 . 1 1 A 51 51 VAL H H 51 8.302 0.000 8.302 2
1 209 . 1 1 A 51 51 VAL CA C 51 62.617 59.077 3.540 2
1 210 . 1 1 A 51 51 VAL CB C 51 35.636 31.266 4.370 2
1 211 . 1 1 A 51 51 VAL N N 51 130.674 120.342 10.332 2
1 212 . 1 1 A 52 52 PRO C C 52 179.284 177.748 1.536 2
1 213 . 1 1 A 52 52 PRO CA C 52 60.313 64.833 -4.520 2
1 214 . 1 1 A 52 52 PRO CB C 52 36.242 31.804 4.438 2
1 215 . 1 1 A 53 53 SER H H 53 10.403 0.000 10.403 2
1 216 . 1 1 A 53 53 SER C C 53 175.826 174.410 1.416 2
1 217 . 1 1 A 53 53 SER CA C 53 62.761 59.046 3.715 2
1 218 . 1 1 A 53 53 SER CB C 53 61.377 63.301 -1.924 2
1 219 . 1 1 A 53 53 SER N N 53 115.198 109.572 5.626 2
1 220 . 1 1 A 54 54 GLU H H 54 7.114 0.000 7.114 2
1 221 . 1 1 A 54 54 GLU CA C 54 57.982 54.930 3.052 2
1 222 . 1 1 A 54 54 GLU CB C 54 28.899 30.039 -1.140 2
1 223 . 1 1 A 54 54 GLU N N 54 123.731 120.861 2.870 2
1 224 . 1 1 A 55 55 THR C C 55 173.503 174.070 -0.567 2
1 225 . 1 1 A 55 55 THR CA C 55 63.574 64.188 -0.614 2
1 226 . 1 1 A 55 55 THR CB C 55 69.198 68.695 0.503 2
1 227 . 1 1 A 56 56 ASN H H 56 7.856 0.000 7.856 2
1 228 . 1 1 A 56 56 ASN CA C 56 49.377 49.576 -0.199 2
1 229 . 1 1 A 56 56 ASN CB C 56 39.779 39.656 0.123 2
1 230 . 1 1 A 56 56 ASN N N 56 120.228 121.284 -1.056 2
1 231 . 1 1 A 57 57 PRO C C 57 173.428 177.625 -4.197 2
1 232 . 1 1 A 57 57 PRO CA C 57 64.131 64.295 -0.164 2
1 233 . 1 1 A 57 57 PRO CB C 57 31.855 31.360 0.495 2
1 234 . 1 1 A 58 58 PHE H H 58 7.367 0.000 7.367 2
1 235 . 1 1 A 58 58 PHE C C 58 174.587 175.442 -0.855 2
1 236 . 1 1 A 58 58 PHE CA C 58 55.183 58.522 -3.339 2
1 237 . 1 1 A 58 58 PHE CB C 58 37.255 38.803 -1.548 2
1 238 . 1 1 A 58 58 PHE N N 58 116.897 116.462 0.435 2
1 239 . 1 1 A 59 59 GLN H H 59 6.854 0.000 6.854 2
1 240 . 1 1 A 59 59 GLN C C 59 173.854 173.663 0.191 2
1 241 . 1 1 A 59 59 GLN CA C 59 54.101 54.209 -0.108 2
1 242 . 1 1 A 59 59 GLN CB C 59 31.026 31.677 -0.651 2
1 243 . 1 1 A 59 59 GLN N N 59 118.799 120.799 -2.000 2
1 244 . 1 1 A 60 60 ASP H H 60 8.905 0.000 8.905 2
1 245 . 1 1 A 60 60 ASP C C 60 175.366 176.431 -1.065 2
1 246 . 1 1 A 60 60 ASP CA C 60 51.548 52.468 -0.920 2
1 247 . 1 1 A 60 60 ASP CB C 60 41.392 41.544 -0.152 2
1 248 . 1 1 A 60 60 ASP N N 60 125.815 127.167 -1.352 2
1 249 . 1 1 A 61 61 ASN H H 61 8.700 0.000 8.700 2
1 250 . 1 1 A 61 61 ASN CA C 61 54.458 55.199 -0.741 2
1 251 . 1 1 A 61 61 ASN N N 61 121.481 123.248 -1.767 2
1 252 . 1 1 A 65 65 GLY C C 65 171.589 176.270 -4.681 2
1 253 . 1 1 A 65 65 GLY CA C 65 45.993 47.424 -1.431 2
1 254 . 1 1 A 66 66 THR H H 66 7.939 0.000 7.939 2
1 255 . 1 1 A 66 66 THR C C 66 175.119 175.790 -0.671 2
1 256 . 1 1 A 66 66 THR CA C 66 62.963 67.261 -4.298 2
1 257 . 1 1 A 66 66 THR CB C 66 67.959 68.559 -0.600 2
1 258 . 1 1 A 66 66 THR N N 66 114.933 118.533 -3.600 2
1 259 . 1 1 A 67 67 HIS H H 67 7.698 0.000 7.698 2
1 260 . 1 1 A 67 67 HIS CA C 67 61.247 60.215 1.032 2
1 261 . 1 1 A 67 67 HIS CB C 67 32.359 30.413 1.946 2
1 262 . 1 1 A 67 67 HIS N N 67 127.362 124.787 2.575 2
1 263 . 1 1 A 68 68 VAL C C 68 178.768 178.178 0.590 2
1 264 . 1 1 A 68 68 VAL CA C 68 66.203 66.238 -0.035 2
1 265 . 1 1 A 68 68 VAL CB C 68 32.684 31.519 1.165 2
1 266 . 1 1 A 69 69 ALA H H 69 8.541 0.000 8.541 2
1 267 . 1 1 A 69 69 ALA C C 69 179.169 179.952 -0.783 2
1 268 . 1 1 A 69 69 ALA CA C 69 55.655 55.227 0.428 2
1 269 . 1 1 A 69 69 ALA CB C 69 20.216 18.651 1.565 2
1 270 . 1 1 A 69 69 ALA N N 69 120.671 121.253 -0.582 2
1 271 . 1 1 A 70 70 GLY H H 70 7.705 0.000 7.705 2
1 272 . 1 1 A 70 70 GLY C C 70 177.146 176.383 0.763 2
1 273 . 1 1 A 70 70 GLY CA C 70 47.521 47.110 0.411 2
1 274 . 1 1 A 70 70 GLY N N 70 102.692 105.968 -3.276 2
1 275 . 1 1 A 71 71 THR H H 71 7.399 0.000 7.399 2
1 276 . 1 1 A 71 71 THR C C 71 175.517 176.557 -1.040 2
1 277 . 1 1 A 71 71 THR CA C 71 66.448 66.225 0.223 2
1 278 . 1 1 A 71 71 THR CB C 71 67.634 67.761 -0.127 2
1 279 . 1 1 A 71 71 THR N N 71 120.541 118.301 2.240 2
1 280 . 1 1 A 72 72 VAL H H 72 7.444 0.000 7.444 2
1 281 . 1 1 A 72 72 VAL C C 72 177.988 177.975 0.013 2
1 282 . 1 1 A 72 72 VAL CA C 72 67.517 66.433 1.084 2
1 283 . 1 1 A 72 72 VAL CB C 72 31.120 31.646 -0.526 2
1 284 . 1 1 A 72 72 VAL N N 72 120.220 122.385 -2.165 2
1 285 . 1 1 A 73 73 LEU H H 73 7.318 0.000 7.318 2
1 286 . 1 1 A 73 73 LEU C C 73 178.133 179.399 -1.266 2
1 287 . 1 1 A 73 73 LEU CA C 73 55.952 57.711 -1.759 2
1 288 . 1 1 A 73 73 LEU CB C 73 42.083 40.741 1.342 2
1 289 . 1 1 A 73 73 LEU N N 73 115.563 117.774 -2.211 2
1 300 . 1 1 A 76 76 ALA H H 85 8.824 0.000 8.824 2
1 301 . 1 1 A 76 76 ALA CA C 85 49.430 49.378 0.052 2
1 302 . 1 1 A 76 76 ALA CB C 85 19.374 19.061 0.313 2
1 303 . 1 1 A 76 76 ALA N N 85 123.376 122.146 1.230 2
1 304 . 1 1 A 77 77 PRO C C 86 178.561 177.756 0.805 2
1 305 . 1 1 A 77 77 PRO CA C 86 65.465 64.809 0.656 2
1 306 . 1 1 A 77 77 PRO CB C 86 33.180 31.918 1.262 2
1 307 . 1 1 A 78 78 SER H H 87 8.175 0.000 8.175 2
1 308 . 1 1 A 78 78 SER C C 87 173.530 174.164 -0.634 2
1 309 . 1 1 A 78 78 SER CA C 87 56.940 58.389 -1.449 2
1 310 . 1 1 A 78 78 SER CB C 87 62.877 63.895 -1.018 2
1 311 . 1 1 A 78 78 SER N N 87 110.342 111.595 -1.253 2
1 312 . 1 1 A 79 79 ALA H H 88 7.643 0.000 7.643 2
1 313 . 1 1 A 79 79 ALA C C 88 176.563 177.515 -0.952 2
1 314 . 1 1 A 79 79 ALA CA C 88 52.966 52.537 0.429 2
1 315 . 1 1 A 79 79 ALA CB C 88 18.383 19.562 -1.179 2
1 316 . 1 1 A 79 79 ALA N N 88 124.516 125.290 -0.774 2
1 317 . 1 1 A 80 80 SER H H 89 8.693 0.000 8.693 2
1 318 . 1 1 A 80 80 SER C C 89 172.499 173.925 -1.426 2
1 319 . 1 1 A 80 80 SER CA C 89 57.964 58.530 -0.566 2
1 320 . 1 1 A 80 80 SER CB C 89 64.643 63.671 0.972 2
1 321 . 1 1 A 80 80 SER N N 89 116.446 119.229 -2.783 2
1 322 . 1 1 A 81 81 LEU H H 90 8.451 0.000 8.451 2
1 323 . 1 1 A 81 81 LEU C C 90 175.918 174.379 1.539 2
1 324 . 1 1 A 81 81 LEU CA C 90 54.036 53.909 0.127 2
1 325 . 1 1 A 81 81 LEU CB C 90 45.196 44.262 0.934 2
1 326 . 1 1 A 81 81 LEU N N 90 125.075 128.778 -3.703 2
1 327 . 1 1 A 82 82 TYR H H 91 8.952 0.000 8.952 2
1 328 . 1 1 A 82 82 TYR C C 91 174.937 174.754 0.183 2
1 329 . 1 1 A 82 82 TYR CA C 91 56.662 56.696 -0.034 2
1 330 . 1 1 A 82 82 TYR CB C 91 40.785 41.762 -0.977 2
1 331 . 1 1 A 82 82 TYR N N 91 119.926 124.597 -4.671 2
1 332 . 1 1 A 83 83 ALA H H 92 8.684 0.000 8.684 2
1 333 . 1 1 A 83 83 ALA C C 92 173.351 175.758 -2.407 2
1 334 . 1 1 A 83 83 ALA CA C 92 51.224 50.529 0.695 2
1 335 . 1 1 A 83 83 ALA CB C 92 20.560 20.434 0.126 2
1 336 . 1 1 A 83 83 ALA N N 92 127.148 126.652 0.496 2
1 337 . 1 1 A 84 84 VAL H H 93 7.633 0.000 7.633 2
1 338 . 1 1 A 84 84 VAL C C 93 174.968 174.388 0.580 2
1 339 . 1 1 A 84 84 VAL CA C 93 60.649 61.234 -0.585 2
1 340 . 1 1 A 84 84 VAL CB C 93 31.742 32.589 -0.847 2
1 341 . 1 1 A 84 84 VAL N N 93 125.462 124.236 1.226 2
1 342 . 1 1 A 85 85 LYS H H 94 8.667 0.000 8.667 2
1 343 . 1 1 A 85 85 LYS C C 94 174.900 176.478 -1.578 2
1 344 . 1 1 A 85 85 LYS CA C 94 56.445 56.301 0.144 2
1 345 . 1 1 A 85 85 LYS CB C 94 33.990 32.341 1.649 2
1 346 . 1 1 A 85 85 LYS N N 94 129.268 129.088 0.180 2
1 347 . 1 1 A 86 86 VAL H H 95 8.972 0.000 8.972 2
1 348 . 1 1 A 86 86 VAL C C 95 171.263 175.480 -4.217 2
1 349 . 1 1 A 86 86 VAL CA C 95 60.794 61.922 -1.128 2
1 350 . 1 1 A 86 86 VAL CB C 95 33.483 33.985 -0.502 2
1 351 . 1 1 A 86 86 VAL N N 95 118.965 120.403 -1.438 2
1 352 . 1 1 A 87 87 LEU H H 96 6.770 0.000 6.770 2
1 353 . 1 1 A 87 87 LEU C C 96 176.859 176.680 0.179 2
1 354 . 1 1 A 87 87 LEU CA C 96 51.836 53.762 -1.926 2
1 355 . 1 1 A 87 87 LEU CB C 96 44.902 43.523 1.379 2
1 356 . 1 1 A 87 87 LEU N N 96 116.185 122.177 -5.992 2
1 357 . 1 1 A 88 88 GLY H H 97 8.299 0.000 8.299 2
1 358 . 1 1 A 88 88 GLY C C 97 175.307 175.070 0.237 2
1 359 . 1 1 A 88 88 GLY CA C 97 43.710 43.935 -0.225 2
1 360 . 1 1 A 88 88 GLY N N 97 105.669 108.414 -2.745 2
1 361 . 1 1 A 89 89 ALA H H 98 9.623 0.000 9.623 2
1 362 . 1 1 A 89 89 ALA C C 98 179.073 178.727 0.346 2
1 363 . 1 1 A 89 89 ALA CA C 98 55.623 54.667 0.956 2
1 364 . 1 1 A 89 89 ALA CB C 98 19.436 18.621 0.815 2
1 365 . 1 1 A 89 89 ALA N N 98 123.698 122.138 1.560 2
1 366 . 1 1 A 90 90 ASP H H 99 8.361 0.000 8.361 2
1 367 . 1 1 A 90 90 ASP C C 99 177.798 176.856 0.942 2
1 368 . 1 1 A 90 90 ASP CA C 99 53.770 53.532 0.238 2
1 369 . 1 1 A 90 90 ASP CB C 99 40.108 40.845 -0.737 2
1 370 . 1 1 A 90 90 ASP N N 99 114.871 113.623 1.248 2
1 371 . 1 1 A 91 91 GLY H H 100 8.818 0.000 8.818 2
1 372 . 1 1 A 91 91 GLY C C 100 175.505 174.226 1.279 2
1 373 . 1 1 A 91 91 GLY CA C 100 46.013 44.993 1.020 2
1 374 . 1 1 A 91 91 GLY N N 100 109.011 109.795 -0.784 2
1 375 . 1 1 A 92 92 SER H H 101 10.222 0.000 10.222 2
1 376 . 1 1 A 92 92 SER CA C 101 66.990 57.360 9.630 2
1 377 . 1 1 A 92 92 SER CB C 101 69.905 65.715 4.190 2
1 378 . 1 1 A 92 92 SER N N 101 115.368 114.932 0.436 2
1 379 . 1 1 A 97 97 TRP C C 106 176.615 178.904 -2.289 2
1 380 . 1 1 A 97 97 TRP CA C 106 54.159 59.678 -5.519 2
1 381 . 1 1 A 97 97 TRP CB C 106 27.958 29.620 -1.662 2
1 382 . 1 1 A 98 98 ILE H H 107 9.492 0.000 9.492 2
1 383 . 1 1 A 98 98 ILE CA C 107 60.318 65.063 -4.745 2
1 384 . 1 1 A 98 98 ILE CB C 107 36.044 37.888 -1.844 2
1 385 . 1 1 A 98 98 ILE N N 107 125.766 120.052 5.714 2
1 386 . 1 1 A 99 99 ILE C C 108 177.329 177.746 -0.417 2
1 387 . 1 1 A 100 100 ASN C C 109 178.006 178.705 -0.699 2
1 388 . 1 1 A 100 100 ASN CA C 109 56.694 55.808 0.886 2
1 389 . 1 1 A 100 100 ASN CB C 109 38.410 37.298 1.112 2
1 390 . 1 1 A 101 101 GLY H H 110 7.979 0.000 7.979 2
1 391 . 1 1 A 101 101 GLY C C 110 174.497 176.055 -1.558 2
1 392 . 1 1 A 101 101 GLY CA C 110 48.247 47.247 1.000 2
1 393 . 1 1 A 101 101 GLY N N 110 108.539 108.661 -0.122 2
1 394 . 1 1 A 102 102 ILE H H 111 8.620 0.000 8.620 2
1 395 . 1 1 A 102 102 ILE CA C 111 66.346 64.399 1.947 2
1 396 . 1 1 A 102 102 ILE CB C 111 37.973 37.454 0.519 2
1 397 . 1 1 A 102 102 ILE N N 111 123.804 122.419 1.385 2
1 398 . 1 1 A 104 104 TRP C C 113 179.102 178.210 0.892 2
1 399 . 1 1 A 104 104 TRP CA C 113 62.668 61.369 1.299 2
1 400 . 1 1 A 104 104 TRP CB C 113 30.163 29.373 0.790 2
1 401 . 1 1 A 105 105 ALA H H 114 8.180 0.000 8.180 2
1 402 . 1 1 A 105 105 ALA C C 114 178.444 179.989 -1.545 2
1 403 . 1 1 A 105 105 ALA CA C 114 55.197 55.168 0.029 2
1 404 . 1 1 A 105 105 ALA CB C 114 18.226 18.274 -0.048 2
1 405 . 1 1 A 105 105 ALA N N 114 122.276 120.769 1.507 2
1 406 . 1 1 A 106 106 ILE H H 115 8.027 0.000 8.027 2
1 407 . 1 1 A 106 106 ILE C C 115 179.630 177.830 1.800 2
1 408 . 1 1 A 106 106 ILE CA C 115 65.532 65.475 0.057 2
1 409 . 1 1 A 106 106 ILE CB C 115 38.738 37.992 0.746 2
1 410 . 1 1 A 106 106 ILE N N 115 118.434 119.045 -0.611 2
1 411 . 1 1 A 107 107 ALA H H 116 8.313 0.000 8.313 2
1 412 . 1 1 A 107 107 ALA C C 116 178.411 178.749 -0.338 2
1 413 . 1 1 A 107 107 ALA CA C 116 54.989 54.780 0.209 2
1 414 . 1 1 A 107 107 ALA CB C 116 18.881 18.414 0.467 2
1 415 . 1 1 A 107 107 ALA N N 116 122.671 121.580 1.091 2
1 416 . 1 1 A 108 108 ASN H H 117 7.179 0.000 7.179 2
1 417 . 1 1 A 108 108 ASN C C 117 172.468 173.969 -1.501 2
1 418 . 1 1 A 108 108 ASN CA C 117 53.322 52.461 0.861 2
1 419 . 1 1 A 108 108 ASN CB C 117 38.392 37.837 0.555 2
1 420 . 1 1 A 108 108 ASN N N 117 112.006 113.809 -1.803 2
1 421 . 1 1 A 109 109 ASN H H 118 7.611 0.000 7.611 2
1 422 . 1 1 A 109 109 ASN C C 118 174.530 174.469 0.061 2
1 423 . 1 1 A 109 109 ASN CA C 118 54.554 54.381 0.173 2
1 424 . 1 1 A 109 109 ASN CB C 118 36.942 36.659 0.283 2
1 425 . 1 1 A 109 109 ASN N N 118 114.040 114.696 -0.656 2
1 426 . 1 1 A 110 110 MET H H 119 7.508 0.000 7.508 2
1 427 . 1 1 A 110 110 MET C C 119 174.491 175.556 -1.065 2
1 428 . 1 1 A 110 110 MET CA C 119 54.545 55.299 -0.754 2
1 429 . 1 1 A 110 110 MET CB C 119 34.518 32.656 1.862 2
1 430 . 1 1 A 110 110 MET N N 119 113.487 117.745 -4.258 2
1 431 . 1 1 A 111 111 ASP H H 120 8.352 0.000 8.352 2
1 432 . 1 1 A 111 111 ASP C C 120 177.463 176.248 1.215 2
1 433 . 1 1 A 111 111 ASP CA C 120 57.148 56.791 0.357 2
1 434 . 1 1 A 111 111 ASP CB C 120 44.484 42.815 1.669 2
1 435 . 1 1 A 111 111 ASP N N 120 118.257 122.453 -4.196 2
1 436 . 1 1 A 112 112 VAL H H 121 8.077 0.000 8.077 2
1 437 . 1 1 A 112 112 VAL C C 121 174.505 174.655 -0.150 2
1 438 . 1 1 A 112 112 VAL CA C 121 60.051 60.359 -0.308 2
1 439 . 1 1 A 112 112 VAL CB C 121 37.511 35.633 1.878 2
1 440 . 1 1 A 112 112 VAL N N 121 118.463 117.523 0.940 2
1 441 . 1 1 A 113 113 ILE H H 122 9.196 0.000 9.196 2
1 442 . 1 1 A 113 113 ILE C C 122 172.837 174.098 -1.261 2
1 443 . 1 1 A 113 113 ILE CA C 122 60.075 60.012 0.063 2
1 444 . 1 1 A 113 113 ILE CB C 122 42.693 41.035 1.658 2
1 445 . 1 1 A 113 113 ILE N N 122 124.407 127.080 -2.673 2
1 446 . 1 1 A 114 114 ASN H H 123 8.737 0.000 8.737 2
1 447 . 1 1 A 114 114 ASN C C 123 174.410 174.129 0.281 2
1 448 . 1 1 A 114 114 ASN CA C 123 53.100 51.877 1.223 2
1 449 . 1 1 A 114 114 ASN CB C 123 43.681 42.288 1.393 2
1 450 . 1 1 A 114 114 ASN N N 123 124.472 126.362 -1.890 2
1 451 . 1 1 A 115 115 MET H H 124 9.369 0.000 9.369 2
1 452 . 1 1 A 115 115 MET CA C 124 54.734 54.508 0.226 2
1 453 . 1 1 A 115 115 MET CB C 124 34.863 34.328 0.535 2
1 454 . 1 1 A 115 115 MET N N 124 126.734 125.408 1.326 2
1 455 . 1 1 A 116 116 SER C C 125 174.563 173.219 1.344 2
1 456 . 1 1 A 116 116 SER CA C 125 59.271 58.106 1.165 2
1 457 . 1 1 A 116 116 SER CB C 125 60.692 61.940 -1.248 2
1 458 . 1 1 A 117 117 LEU H H 126 8.125 0.000 8.125 2
1 459 . 1 1 A 117 117 LEU C C 126 172.565 175.458 -2.893 2
1 460 . 1 1 A 117 117 LEU CA C 126 54.063 52.929 1.134 2
1 461 . 1 1 A 117 117 LEU CB C 126 44.051 46.042 -1.991 2
1 462 . 1 1 A 117 117 LEU N N 126 118.613 117.329 1.284 2
1 463 . 1 1 A 118 118 GLY H H 127 7.634 0.000 7.634 2
1 464 . 1 1 A 118 118 GLY C C 127 172.652 172.555 0.097 2
1 465 . 1 1 A 118 118 GLY CA C 127 46.741 45.840 0.901 2
1 466 . 1 1 A 118 118 GLY N N 127 104.654 106.381 -1.727 2
1 467 . 1 1 A 119 119 GLY H H 128 9.074 0.000 9.074 2
1 468 . 1 1 A 119 119 GLY CA C 128 44.340 44.021 0.319 2
1 469 . 1 1 A 119 119 GLY N N 128 106.209 108.979 -2.770 2
1 470 . 1 1 A 120 120 PRO C C 129 177.192 176.050 1.142 2
1 471 . 1 1 A 120 120 PRO CA C 129 63.928 64.547 -0.619 2
1 472 . 1 1 A 120 120 PRO CB C 129 32.838 32.240 0.598 2
1 473 . 1 1 A 121 121 SER H H 130 7.328 0.000 7.328 2
1 474 . 1 1 A 121 121 SER C C 130 173.208 174.507 -1.299 2
1 475 . 1 1 A 121 121 SER CA C 130 57.219 56.382 0.837 2
1 476 . 1 1 A 121 121 SER CB C 130 65.119 65.804 -0.685 2
1 477 . 1 1 A 121 121 SER N N 130 112.868 109.131 3.737 2
1 478 . 1 1 A 122 122 GLY H H 131 8.208 0.000 8.208 2
1 479 . 1 1 A 122 122 GLY CA C 131 44.118 43.503 0.615 2
1 480 . 1 1 A 122 122 GLY N N 131 113.100 108.223 4.877 2
1 481 . 1 1 A 123 123 SER C C 132 180.900 174.711 6.189 2
1 482 . 1 1 A 123 123 SER CA C 132 63.564 57.139 6.425 2
1 483 . 1 1 A 124 124 ALA H H 133 7.900 0.000 7.900 2
1 484 . 1 1 A 124 124 ALA C C 133 180.303 179.733 0.570 2
1 485 . 1 1 A 124 124 ALA CA C 133 55.238 55.577 -0.339 2
1 486 . 1 1 A 124 124 ALA CB C 133 18.866 17.970 0.896 2
1 487 . 1 1 A 124 124 ALA N N 133 120.989 125.743 -4.754 2
1 488 . 1 1 A 125 125 ALA H H 134 8.035 0.000 8.035 2
1 489 . 1 1 A 125 125 ALA C C 134 178.458 179.956 -1.498 2
1 490 . 1 1 A 125 125 ALA CA C 134 54.967 55.077 -0.110 2
1 491 . 1 1 A 125 125 ALA CB C 134 19.543 17.916 1.627 2
1 492 . 1 1 A 125 125 ALA N N 134 122.753 120.788 1.965 2
1 493 . 1 1 A 126 126 LEU H H 135 7.988 0.000 7.988 2
1 494 . 1 1 A 126 126 LEU CA C 135 57.418 57.890 -0.472 2
1 495 . 1 1 A 126 126 LEU CB C 135 42.512 41.885 0.627 2
1 496 . 1 1 A 126 126 LEU N N 135 120.555 120.498 0.057 2
1 497 . 1 1 A 129 129 ALA C C 138 179.041 179.513 -0.472 2
1 498 . 1 1 A 129 129 ALA CA C 138 55.800 55.053 0.747 2
1 499 . 1 1 A 129 129 ALA CB C 138 19.002 18.945 0.057 2
1 500 . 1 1 A 130 130 VAL H H 139 7.955 0.000 7.955 2
1 501 . 1 1 A 130 130 VAL C C 139 177.579 177.883 -0.304 2
1 502 . 1 1 A 130 130 VAL CA C 139 66.395 65.410 0.985 2
1 503 . 1 1 A 130 130 VAL CB C 139 31.345 31.645 -0.300 2
1 504 . 1 1 A 130 130 VAL N N 139 112.145 116.048 -3.903 2
1 505 . 1 1 A 131 131 ASP H H 140 8.587 0.000 8.587 2
1 506 . 1 1 A 131 131 ASP CA C 140 57.600 57.320 0.280 2
1 507 . 1 1 A 131 131 ASP CB C 140 39.128 39.984 -0.856 2
1 508 . 1 1 A 131 131 ASP N N 140 122.012 122.791 -0.779 2
1 509 . 1 1 A 132 132 LYS C C 141 179.149 178.566 0.583 2
1 510 . 1 1 A 132 132 LYS CA C 141 57.753 58.553 -0.800 2
1 511 . 1 1 A 132 132 LYS CB C 141 31.122 32.271 -1.149 2
1 512 . 1 1 A 133 133 ALA H H 142 8.025 0.000 8.025 2
1 513 . 1 1 A 133 133 ALA C C 142 179.218 180.058 -0.840 2
1 514 . 1 1 A 133 133 ALA CA C 142 55.746 55.231 0.515 2
1 515 . 1 1 A 133 133 ALA CB C 142 16.630 18.150 -1.520 2
1 516 . 1 1 A 133 133 ALA N N 142 124.514 121.743 2.771 2
1 517 . 1 1 A 134 134 VAL H H 143 8.056 0.000 8.056 2
1 518 . 1 1 A 134 134 VAL C C 143 181.076 178.091 2.985 2
1 519 . 1 1 A 134 134 VAL CA C 143 66.384 66.814 -0.430 2
1 520 . 1 1 A 134 134 VAL CB C 143 31.909 31.636 0.273 2
1 521 . 1 1 A 134 134 VAL N N 143 119.996 118.873 1.123 2
1 522 . 1 1 A 135 135 ALA H H 144 8.484 0.000 8.484 2
1 523 . 1 1 A 135 135 ALA C C 144 179.338 179.592 -0.254 2
1 524 . 1 1 A 135 135 ALA CA C 144 54.937 55.095 -0.158 2
1 525 . 1 1 A 135 135 ALA CB C 144 18.100 17.962 0.138 2
1 526 . 1 1 A 135 135 ALA N N 144 125.739 121.936 3.803 2
1 527 . 1 1 A 136 136 SER H H 145 7.634 0.000 7.634 2
1 528 . 1 1 A 136 136 SER C C 145 173.731 174.606 -0.875 2
1 529 . 1 1 A 136 136 SER CA C 145 59.154 58.801 0.353 2
1 530 . 1 1 A 136 136 SER CB C 145 63.615 63.586 0.029 2
1 531 . 1 1 A 136 136 SER N N 145 112.463 111.273 1.190 2
1 532 . 1 1 A 137 137 GLY H H 146 7.661 0.000 7.661 2
1 533 . 1 1 A 137 137 GLY C C 146 174.318 174.582 -0.264 2
1 534 . 1 1 A 137 137 GLY CA C 146 44.946 45.230 -0.284 2
1 535 . 1 1 A 137 137 GLY N N 146 106.399 109.194 -2.795 2
1 536 . 1 1 A 138 138 VAL H H 147 7.824 0.000 7.824 2
1 537 . 1 1 A 138 138 VAL C C 147 176.756 174.906 1.850 2
1 538 . 1 1 A 138 138 VAL CA C 147 62.691 62.209 0.482 2
1 539 . 1 1 A 138 138 VAL CB C 147 33.262 32.077 1.185 2
1 540 . 1 1 A 138 138 VAL N N 147 122.299 122.547 -0.248 2
1 541 . 1 1 A 139 139 VAL H H 148 8.122 0.000 8.122 2
1 542 . 1 1 A 139 139 VAL C C 148 174.619 175.382 -0.763 2
1 543 . 1 1 A 139 139 VAL CA C 148 62.802 62.617 0.185 2
1 544 . 1 1 A 139 139 VAL CB C 148 32.800 31.871 0.929 2
1 545 . 1 1 A 139 139 VAL N N 148 126.756 127.806 -1.050 2
1 546 . 1 1 A 140 140 VAL H H 149 8.147 0.000 8.147 2
1 547 . 1 1 A 140 140 VAL C C 149 174.006 175.040 -1.034 2
1 548 . 1 1 A 140 140 VAL CA C 149 62.963 60.918 2.045 2
1 549 . 1 1 A 140 140 VAL CB C 149 32.253 33.428 -1.175 2
1 550 . 1 1 A 140 140 VAL N N 149 128.797 128.564 0.233 2
1 551 . 1 1 A 141 141 VAL H H 150 8.675 0.000 8.675 2
1 552 . 1 1 A 141 141 VAL C C 150 173.249 174.526 -1.277 2
1 553 . 1 1 A 141 141 VAL CA C 150 61.249 60.790 0.459 2
1 554 . 1 1 A 141 141 VAL CB C 150 34.882 34.612 0.270 2
1 555 . 1 1 A 141 141 VAL N N 150 130.813 128.241 2.572 2
1 556 . 1 1 A 142 142 ALA H H 151 9.524 0.000 9.524 2
1 557 . 1 1 A 142 142 ALA C C 151 175.722 175.726 -0.004 2
1 558 . 1 1 A 142 142 ALA CA C 151 50.266 51.261 -0.995 2
1 559 . 1 1 A 142 142 ALA CB C 151 24.230 23.154 1.076 2
1 560 . 1 1 A 142 142 ALA N N 151 127.983 127.709 0.274 2
1 561 . 1 1 A 143 143 ALA H H 152 7.527 0.000 7.527 2
1 562 . 1 1 A 143 143 ALA C C 152 176.720 178.376 -1.656 2
1 563 . 1 1 A 143 143 ALA CA C 152 51.850 52.115 -0.265 2
1 564 . 1 1 A 143 143 ALA CB C 152 21.736 19.671 2.065 2
1 565 . 1 1 A 143 143 ALA N N 152 121.682 123.190 -1.508 2
1 566 . 1 1 A 144 144 ALA H H 153 8.688 0.000 8.688 2
1 567 . 1 1 A 144 144 ALA C C 153 175.311 177.601 -2.290 2
1 568 . 1 1 A 144 144 ALA CA C 153 54.146 53.098 1.048 2
1 569 . 1 1 A 144 144 ALA CB C 153 20.030 19.348 0.682 2
1 570 . 1 1 A 144 144 ALA N N 153 120.251 122.927 -2.676 2
1 571 . 1 1 A 145 145 GLY H H 154 7.139 0.000 7.139 2
1 572 . 1 1 A 145 145 GLY C C 154 173.002 173.403 -0.401 2
1 573 . 1 1 A 145 145 GLY CA C 154 41.975 43.996 -2.021 2
1 574 . 1 1 A 145 145 GLY N N 154 103.250 104.572 -1.322 2
1 575 . 1 1 A 146 146 ASN H H 155 7.228 0.000 7.228 2
1 576 . 1 1 A 146 146 ASN C C 155 177.735 175.658 2.077 2
1 577 . 1 1 A 146 146 ASN CA C 155 51.063 52.402 -1.339 2
1 578 . 1 1 A 146 146 ASN CB C 155 38.575 39.021 -0.446 2
1 579 . 1 1 A 146 146 ASN N N 155 118.374 116.601 1.773 2
1 580 . 1 1 A 147 147 GLU H H 156 7.430 0.000 7.430 2
1 581 . 1 1 A 147 147 GLU C C 156 177.142 177.309 -0.167 2
1 582 . 1 1 A 147 147 GLU CA C 156 55.478 56.434 -0.956 2
1 583 . 1 1 A 147 147 GLU CB C 156 30.269 30.702 -0.433 2
1 584 . 1 1 A 147 147 GLU N N 156 115.772 120.488 -4.716 2
1 585 . 1 1 A 148 148 GLY H H 157 7.622 0.000 7.622 2
1 586 . 1 1 A 148 148 GLY C C 157 171.826 173.709 -1.883 2
1 587 . 1 1 A 148 148 GLY CA C 157 45.839 45.521 0.318 2
1 588 . 1 1 A 148 148 GLY N N 157 106.977 107.898 -0.921 2
1 589 . 1 1 A 149 149 THR H H 158 7.907 0.000 7.907 2
1 590 . 1 1 A 149 149 THR C C 158 175.062 173.614 1.448 2
1 591 . 1 1 A 149 149 THR CA C 158 59.962 60.257 -0.295 2
1 592 . 1 1 A 149 149 THR CB C 158 70.924 71.436 -0.512 2
1 593 . 1 1 A 149 149 THR N N 158 110.544 113.786 -3.242 2
1 594 . 1 1 A 150 150 SER H H 159 9.872 0.000 9.872 2
1 595 . 1 1 A 150 150 SER CA C 159 56.501 56.899 -0.398 2
1 596 . 1 1 A 150 150 SER CB C 159 62.944 63.858 -0.914 2
1 597 . 1 1 A 150 150 SER N N 159 119.055 118.639 0.416 2
1 598 . 1 1 A 154 154 SER C C 163 177.492 175.369 2.123 2
1 599 . 1 1 A 154 154 SER CA C 163 57.371 57.559 -0.188 2
1 600 . 1 1 A 154 154 SER CB C 163 63.261 63.616 -0.355 2
1 601 . 1 1 A 155 155 THR H H 164 9.625 0.000 9.625 2
1 602 . 1 1 A 155 155 THR C C 164 176.132 174.801 1.331 2
1 603 . 1 1 A 155 155 THR CA C 164 59.849 62.215 -2.366 2
1 604 . 1 1 A 155 155 THR CB C 164 69.118 69.612 -0.494 2
1 605 . 1 1 A 155 155 THR N N 164 119.248 115.175 4.073 2
1 606 . 1 1 A 156 156 VAL H H 165 7.379 0.000 7.379 2
1 607 . 1 1 A 156 156 VAL C C 165 175.843 176.065 -0.222 2
1 608 . 1 1 A 156 156 VAL CA C 165 63.598 62.903 0.695 2
1 609 . 1 1 A 156 156 VAL CB C 165 31.833 31.608 0.225 2
1 610 . 1 1 A 156 156 VAL N N 165 127.551 123.771 3.780 2
1 611 . 1 1 A 157 157 GLY H H 166 8.631 0.000 8.631 2
1 612 . 1 1 A 157 157 GLY C C 166 171.895 172.533 -0.638 2
1 613 . 1 1 A 157 157 GLY CA C 166 46.119 44.399 1.720 2
1 614 . 1 1 A 157 157 GLY N N 166 104.526 115.202 -10.676 2
1 615 . 1 1 A 158 158 TYR H H 167 7.449 0.000 7.449 2
1 616 . 1 1 A 158 158 TYR CA C 167 61.905 56.196 5.709 2
1 617 . 1 1 A 158 158 TYR CB C 167 34.092 39.153 -5.061 2
1 618 . 1 1 A 158 158 TYR N N 167 119.223 118.703 0.520 2
1 619 . 1 1 A 159 159 PRO C C 168 175.889 177.862 -1.973 2
1 620 . 1 1 A 159 159 PRO CA C 168 63.663 63.917 -0.254 2
1 621 . 1 1 A 159 159 PRO CB C 168 32.257 32.158 0.099 2
1 622 . 1 1 A 160 160 GLY H H 169 8.599 0.000 8.599 2
1 623 . 1 1 A 160 160 GLY C C 169 172.398 175.657 -3.259 2
1 624 . 1 1 A 160 160 GLY CA C 169 44.063 46.721 -2.658 2
1 625 . 1 1 A 160 160 GLY N N 169 114.465 107.820 6.645 2
1 626 . 1 1 A 161 161 LYS H H 170 9.021 0.000 9.021 2
1 627 . 1 1 A 161 161 LYS CA C 170 56.801 58.785 -1.984 2
1 628 . 1 1 A 161 161 LYS CB C 170 38.395 31.282 7.113 2
1 629 . 1 1 A 161 161 LYS N N 170 115.217 121.482 -6.265 2
1 630 . 1 1 A 163 163 PRO C C 172 178.267 178.135 0.132 2
1 631 . 1 1 A 163 163 PRO CA C 172 64.698 65.274 -0.576 2
1 632 . 1 1 A 163 163 PRO CB C 172 31.789 31.910 -0.121 2
1 633 . 1 1 A 164 164 SER H H 173 7.898 0.000 7.898 2
1 634 . 1 1 A 164 164 SER C C 173 172.757 174.274 -1.517 2
1 635 . 1 1 A 164 164 SER CA C 173 58.992 60.409 -1.417 2
1 636 . 1 1 A 164 164 SER CB C 173 62.941 62.853 0.088 2
1 637 . 1 1 A 164 164 SER N N 173 111.427 110.094 1.333 2
1 638 . 1 1 A 165 165 VAL H H 174 7.600 0.000 7.600 2
1 639 . 1 1 A 165 165 VAL C C 174 174.465 175.560 -1.095 2
1 640 . 1 1 A 165 165 VAL CA C 174 61.742 61.907 -0.165 2
1 641 . 1 1 A 165 165 VAL CB C 174 34.134 32.726 1.408 2
1 642 . 1 1 A 165 165 VAL N N 174 123.746 122.387 1.359 2
1 643 . 1 1 A 166 166 ILE H H 175 7.728 0.000 7.728 2
1 644 . 1 1 A 166 166 ILE C C 175 173.497 175.322 -1.825 2
1 645 . 1 1 A 166 166 ILE CA C 175 61.693 62.728 -1.035 2
1 646 . 1 1 A 166 166 ILE CB C 175 38.901 37.258 1.643 2
1 647 . 1 1 A 166 166 ILE N N 175 124.736 128.835 -4.099 2
1 648 . 1 1 A 167 167 ALA H H 176 11.224 0.000 11.224 2
1 649 . 1 1 A 167 167 ALA C C 176 178.785 176.128 2.657 2
1 650 . 1 1 A 167 167 ALA CA C 176 50.929 50.343 0.586 2
1 651 . 1 1 A 167 167 ALA CB C 176 19.297 20.533 -1.236 2
1 652 . 1 1 A 167 167 ALA N N 176 134.938 131.159 3.779 2
1 653 . 1 1 A 168 168 VAL H H 177 8.639 0.000 8.639 2
1 654 . 1 1 A 168 168 VAL C C 177 176.665 175.931 0.734 2
1 655 . 1 1 A 168 168 VAL CA C 177 61.521 61.226 0.295 2
1 656 . 1 1 A 168 168 VAL CB C 177 34.268 33.720 0.548 2
1 657 . 1 1 A 168 168 VAL N N 177 122.383 122.986 -0.603 2
1 658 . 1 1 A 169 169 GLY H H 178 9.040 0.000 9.040 2
1 659 . 1 1 A 169 169 GLY C C 178 171.654 172.122 -0.468 2
1 660 . 1 1 A 169 169 GLY CA C 178 44.216 43.795 0.421 2
1 661 . 1 1 A 169 169 GLY N N 178 117.393 115.527 1.866 2
1 662 . 1 1 A 170 170 ALA H H 179 7.895 0.000 7.895 2
1 663 . 1 1 A 170 170 ALA C C 179 176.583 176.494 0.089 2
1 664 . 1 1 A 170 170 ALA CA C 179 50.000 50.295 -0.295 2
1 665 . 1 1 A 170 170 ALA CB C 179 24.491 21.740 2.751 2
1 666 . 1 1 A 170 170 ALA N N 179 117.850 121.770 -3.920 2
1 667 . 1 1 A 171 171 VAL H H 180 7.798 0.000 7.798 2
1 668 . 1 1 A 171 171 VAL C C 180 175.463 175.566 -0.103 2
1 669 . 1 1 A 171 171 VAL CA C 180 58.274 59.239 -0.965 2
1 670 . 1 1 A 171 171 VAL CB C 180 35.894 34.960 0.934 2
1 671 . 1 1 A 171 171 VAL N N 180 112.072 116.644 -4.572 2
1 672 . 1 1 A 172 172 ASP H H 181 8.224 0.000 8.224 2
1 673 . 1 1 A 172 172 ASP C C 181 178.623 178.328 0.295 2
1 674 . 1 1 A 172 172 ASP CA C 181 52.163 52.079 0.084 2
1 675 . 1 1 A 172 172 ASP CB C 181 42.220 41.755 0.465 2
1 676 . 1 1 A 172 172 ASP N N 181 119.980 122.858 -2.878 2
1 677 . 1 1 A 173 173 SER H H 182 8.186 0.000 8.186 2
1 678 . 1 1 A 173 173 SER C C 182 175.216 174.749 0.467 2
1 679 . 1 1 A 173 173 SER CA C 182 60.801 60.682 0.119 2
1 680 . 1 1 A 173 173 SER CB C 182 63.103 63.065 0.038 2
1 681 . 1 1 A 173 173 SER N N 182 112.828 114.574 -1.746 2
1 682 . 1 1 A 174 174 SER H H 183 8.440 0.000 8.440 2
1 683 . 1 1 A 174 174 SER C C 183 173.899 174.267 -0.368 2
1 684 . 1 1 A 174 174 SER CA C 183 57.871 57.830 0.041 2
1 685 . 1 1 A 174 174 SER CB C 183 64.236 62.941 1.295 2
1 686 . 1 1 A 174 174 SER N N 183 118.765 114.238 4.527 2
1 687 . 1 1 A 175 175 ASN H H 184 7.992 0.000 7.992 2
1 688 . 1 1 A 175 175 ASN C C 184 173.243 173.988 -0.745 2
1 689 . 1 1 A 175 175 ASN CA C 184 55.275 54.978 0.297 2
1 690 . 1 1 A 175 175 ASN CB C 184 36.345 37.165 -0.820 2
1 691 . 1 1 A 175 175 ASN N N 184 113.360 114.783 -1.423 2
1 692 . 1 1 A 176 176 GLN H H 185 8.001 0.000 8.001 2
1 693 . 1 1 A 176 176 GLN C C 185 176.556 175.380 1.176 2
1 694 . 1 1 A 176 176 GLN CA C 185 54.713 55.313 -0.600 2
1 695 . 1 1 A 176 176 GLN CB C 185 29.792 30.274 -0.482 2
1 696 . 1 1 A 176 176 GLN N N 185 117.179 119.176 -1.997 2
1 697 . 1 1 A 177 177 ARG H H 186 8.169 0.000 8.169 2
1 698 . 1 1 A 177 177 ARG C C 186 176.085 176.312 -0.227 2
1 699 . 1 1 A 177 177 ARG CA C 186 56.758 56.686 0.072 2
1 700 . 1 1 A 177 177 ARG CB C 186 29.629 29.984 -0.355 2
1 701 . 1 1 A 177 177 ARG N N 186 123.118 126.429 -3.311 2
1 702 . 1 1 A 178 178 ALA H H 187 8.066 0.000 8.066 2
1 703 . 1 1 A 178 178 ALA CA C 187 50.927 51.961 -1.034 2
1 704 . 1 1 A 178 178 ALA CB C 187 18.788 18.833 -0.045 2
1 705 . 1 1 A 178 178 ALA N N 187 131.074 130.145 0.929 2
1 706 . 1 1 A 179 179 SER C C 188 174.989 176.029 -1.040 2
1 707 . 1 1 A 179 179 SER CA C 188 61.570 61.882 -0.312 2
1 708 . 1 1 A 179 179 SER CB C 188 62.684 62.522 0.162 2
1 709 . 1 1 A 180 180 PHE H H 189 6.017 0.000 6.017 2
1 710 . 1 1 A 180 180 PHE C C 189 176.405 176.161 0.244 2
1 711 . 1 1 A 180 180 PHE CA C 189 55.627 58.508 -2.881 2
1 712 . 1 1 A 180 180 PHE CB C 189 39.469 38.094 1.375 2
1 713 . 1 1 A 180 180 PHE N N 189 111.458 114.165 -2.707 2
1 714 . 1 1 A 181 181 SER H H 190 7.132 0.000 7.132 2
1 715 . 1 1 A 181 181 SER C C 190 175.124 174.720 0.404 2
1 716 . 1 1 A 181 181 SER CA C 190 60.333 58.541 1.792 2
1 717 . 1 1 A 181 181 SER CB C 190 63.653 63.166 0.487 2
1 718 . 1 1 A 181 181 SER N N 190 118.723 117.011 1.712 2
1 719 . 1 1 A 182 182 SER H H 191 8.479 0.000 8.479 2
1 720 . 1 1 A 182 182 SER C C 191 171.099 174.612 -3.513 2
1 721 . 1 1 A 182 182 SER CA C 191 62.397 59.343 3.054 2
1 722 . 1 1 A 182 182 SER CB C 191 65.257 64.027 1.230 2
1 723 . 1 1 A 182 182 SER N N 191 127.017 123.256 3.761 2
1 724 . 1 1 A 183 183 VAL H H 192 7.331 0.000 7.331 2
1 725 . 1 1 A 183 183 VAL C C 192 173.257 174.092 -0.835 2
1 726 . 1 1 A 183 183 VAL CA C 192 58.864 59.109 -0.245 2
1 727 . 1 1 A 183 183 VAL CB C 192 34.120 34.772 -0.652 2
1 728 . 1 1 A 183 183 VAL N N 192 110.187 119.904 -9.717 2
1 729 . 1 1 A 184 184 GLY H H 193 7.750 0.000 7.750 2
1 730 . 1 1 A 184 184 GLY CA C 193 43.724 44.013 -0.289 2
1 731 . 1 1 A 184 184 GLY N N 193 107.340 108.388 -1.048 2
1 732 . 1 1 A 185 185 PRO C C 194 177.278 177.306 -0.028 2
1 733 . 1 1 A 185 185 PRO CA C 194 63.963 64.935 -0.972 2
1 734 . 1 1 A 185 185 PRO CB C 194 31.925 31.918 0.007 2
1 735 . 1 1 A 186 186 GLU H H 195 8.378 0.000 8.378 2
1 736 . 1 1 A 186 186 GLU C C 195 174.165 176.465 -2.300 2
1 737 . 1 1 A 186 186 GLU CA C 195 57.214 57.336 -0.122 2
1 738 . 1 1 A 186 186 GLU CB C 195 28.451 30.033 -1.582 2
1 739 . 1 1 A 186 186 GLU N N 195 116.097 116.955 -0.858 2
1 740 . 1 1 A 187 187 LEU H H 196 6.793 0.000 6.793 2
1 741 . 1 1 A 187 187 LEU C C 196 175.630 175.939 -0.309 2
1 742 . 1 1 A 187 187 LEU CA C 196 55.428 55.607 -0.179 2
1 743 . 1 1 A 187 187 LEU CB C 196 44.376 42.539 1.837 2
1 744 . 1 1 A 187 187 LEU N N 196 117.323 122.066 -4.743 2
1 745 . 1 1 A 188 188 ASP H H 197 7.942 0.000 7.942 2
1 746 . 1 1 A 188 188 ASP C C 197 176.329 176.548 -0.219 2
1 747 . 1 1 A 188 188 ASP CA C 197 58.034 56.189 1.845 2
1 748 . 1 1 A 188 188 ASP CB C 197 44.857 41.647 3.210 2
1 749 . 1 1 A 188 188 ASP N N 197 122.804 126.071 -3.267 2
1 750 . 1 1 A 189 189 VAL H H 198 7.942 0.000 7.942 2
1 751 . 1 1 A 189 189 VAL C C 198 172.471 174.066 -1.595 2
1 752 . 1 1 A 189 189 VAL CA C 198 58.655 59.072 -0.417 2
1 753 . 1 1 A 189 189 VAL CB C 198 38.111 35.532 2.579 2
1 754 . 1 1 A 189 189 VAL N N 198 108.221 112.515 -4.294 2
1 755 . 1 1 A 190 190 MET H H 199 8.386 0.000 8.386 2
1 756 . 1 1 A 190 190 MET C C 199 175.216 175.095 0.121 2
1 757 . 1 1 A 190 190 MET CA C 199 51.794 53.910 -2.116 2
1 758 . 1 1 A 190 190 MET CB C 199 36.383 35.188 1.195 2
1 759 . 1 1 A 190 190 MET N N 199 113.813 120.893 -7.080 2
1 760 . 1 1 A 191 191 ALA H H 200 8.444 0.000 8.444 2
1 761 . 1 1 A 191 191 ALA CA C 200 50.045 49.962 0.083 2
1 762 . 1 1 A 191 191 ALA CB C 200 20.936 22.476 -1.540 2
1 763 . 1 1 A 191 191 ALA N N 200 118.732 124.032 -5.300 2
1 764 . 1 1 A 194 194 VAL C C 203 174.911 175.845 -0.934 2
1 765 . 1 1 A 194 194 VAL CA C 203 62.051 61.537 0.514 2
1 766 . 1 1 A 194 194 VAL CB C 203 34.203 32.968 1.235 2
1 767 . 1 1 A 195 195 SER H H 204 9.569 0.000 9.569 2
1 768 . 1 1 A 195 195 SER C C 204 172.976 173.657 -0.681 2
1 769 . 1 1 A 195 195 SER CA C 204 59.130 58.491 0.639 2
1 770 . 1 1 A 195 195 SER CB C 204 61.202 61.605 -0.403 2
1 771 . 1 1 A 195 195 SER N N 204 125.231 120.122 5.109 2
1 772 . 1 1 A 196 196 ILE H H 205 8.448 0.000 8.448 2
1 773 . 1 1 A 196 196 ILE C C 205 176.475 175.479 0.996 2
1 774 . 1 1 A 196 196 ILE CA C 205 57.601 60.785 -3.184 2
1 775 . 1 1 A 196 196 ILE CB C 205 36.649 38.152 -1.503 2
1 776 . 1 1 A 196 196 ILE N N 205 120.353 121.061 -0.708 2
1 777 . 1 1 A 197 197 VAL H H 206 8.834 0.000 8.834 2
1 778 . 1 1 A 197 197 VAL C C 206 175.186 175.381 -0.195 2
1 779 . 1 1 A 197 197 VAL CA C 206 63.178 61.535 1.643 2
1 780 . 1 1 A 197 197 VAL CB C 206 31.521 32.955 -1.434 2
1 781 . 1 1 A 197 197 VAL N N 206 132.107 125.905 6.202 2
1 782 . 1 1 A 198 198 SER H H 207 8.169 0.000 8.169 2
1 783 . 1 1 A 198 198 SER C C 207 173.084 173.146 -0.062 2
1 784 . 1 1 A 198 198 SER CA C 207 54.084 55.846 -1.762 2
1 785 . 1 1 A 198 198 SER CB C 207 60.920 65.115 -4.195 2
1 786 . 1 1 A 198 198 SER N N 207 120.836 120.503 0.333 2
1 787 . 1 1 A 199 199 THR H H 208 8.148 0.000 8.148 2
1 788 . 1 1 A 199 199 THR C C 208 173.499 174.484 -0.985 2
1 789 . 1 1 A 199 199 THR CA C 208 60.778 62.335 -1.557 2
1 790 . 1 1 A 199 199 THR CB C 208 70.089 69.101 0.988 2
1 791 . 1 1 A 199 199 THR N N 208 111.825 115.467 -3.642 2
1 792 . 1 1 A 200 200 LEU H H 209 7.831 0.000 7.831 2
1 793 . 1 1 A 200 200 LEU CA C 209 50.874 51.141 -0.267 2
1 794 . 1 1 A 200 200 LEU CB C 209 44.819 45.450 -0.631 2
1 795 . 1 1 A 200 200 LEU N N 209 118.647 126.548 -7.901 2
1 796 . 1 1 A 201 201 PRO C C 210 176.228 177.436 -1.208 2
1 797 . 1 1 A 201 201 PRO CA C 210 63.483 63.816 -0.333 2
1 798 . 1 1 A 201 201 PRO CB C 210 32.584 31.484 1.100 2
1 799 . 1 1 A 202 202 GLY H H 211 8.197 0.000 8.197 2
1 800 . 1 1 A 202 202 GLY C C 211 176.069 174.230 1.839 2
1 801 . 1 1 A 202 202 GLY CA C 211 46.427 46.260 0.167 2
1 802 . 1 1 A 202 202 GLY N N 211 109.835 111.609 -1.774 2
1 803 . 1 1 A 203 203 ASN H H 212 8.364 0.000 8.364 2
1 804 . 1 1 A 203 203 ASN C C 212 173.786 173.795 -0.009 2
1 805 . 1 1 A 203 203 ASN CA C 212 53.395 53.602 -0.207 2
1 806 . 1 1 A 203 203 ASN CB C 212 36.139 36.966 -0.827 2
1 807 . 1 1 A 203 203 ASN N N 212 115.816 115.333 0.483 2
1 808 . 1 1 A 204 204 LYS H H 213 6.838 0.000 6.838 2
1 809 . 1 1 A 204 204 LYS C C 213 175.797 175.063 0.734 2
1 810 . 1 1 A 204 204 LYS CA C 213 54.944 54.511 0.433 2
1 811 . 1 1 A 204 204 LYS CB C 213 37.664 36.295 1.369 2
1 812 . 1 1 A 204 204 LYS N N 213 116.267 116.824 -0.557 2
1 813 . 1 1 A 205 205 TYR H H 214 8.319 0.000 8.319 2
1 814 . 1 1 A 205 205 TYR C C 214 176.030 175.486 0.544 2
1 815 . 1 1 A 205 205 TYR CA C 214 57.629 56.094 1.535 2
1 816 . 1 1 A 205 205 TYR CB C 214 43.544 43.039 0.505 2
1 817 . 1 1 A 205 205 TYR N N 214 119.615 119.473 0.142 2
1 818 . 1 1 A 206 206 GLY H H 215 8.973 0.000 8.973 2
1 819 . 1 1 A 206 206 GLY C C 215 172.948 171.796 1.152 2
1 820 . 1 1 A 206 206 GLY CA C 215 46.103 46.143 -0.040 2
1 821 . 1 1 A 206 206 GLY N N 215 105.612 109.839 -4.227 2
1 822 . 1 1 A 207 207 ALA H H 216 8.802 0.000 8.802 2
1 823 . 1 1 A 207 207 ALA C C 216 180.575 176.897 3.678 2
1 824 . 1 1 A 207 207 ALA CA C 216 51.184 51.574 -0.390 2
1 825 . 1 1 A 207 207 ALA CB C 216 20.629 20.142 0.487 2
1 826 . 1 1 A 207 207 ALA N N 216 124.491 123.004 1.487 2
1 827 . 1 1 A 208 208 LYS H H 217 8.229 0.000 8.229 2
1 828 . 1 1 A 208 208 LYS C C 217 175.269 175.152 0.117 2
1 829 . 1 1 A 208 208 LYS CA C 217 56.326 54.730 1.596 2
1 830 . 1 1 A 208 208 LYS CB C 217 39.881 36.350 3.531 2
1 831 . 1 1 A 208 208 LYS N N 217 120.506 122.561 -2.055 2
1 832 . 1 1 A 209 209 SER H H 218 8.303 0.000 8.303 2
1 833 . 1 1 A 209 209 SER C C 218 172.925 173.514 -0.589 2
1 834 . 1 1 A 209 209 SER CA C 218 56.719 57.222 -0.503 2
1 835 . 1 1 A 209 209 SER CB C 218 66.592 66.142 0.450 2
1 836 . 1 1 A 209 209 SER N N 218 114.863 118.496 -3.633 2
1 837 . 1 1 A 210 210 GLY H H 219 8.923 0.000 8.923 2
1 838 . 1 1 A 210 210 GLY CA C 219 45.950 44.517 1.433 2
1 839 . 1 1 A 210 210 GLY N N 219 110.691 110.409 0.282 2
1 840 . 1 1 A 211 211 THR CA C 220 66.957 65.367 1.590 2
1 841 . 1 1 A 211 211 THR CB C 220 69.719 69.360 0.359 2
1 842 . 1 1 A 211 211 THR C C 220 178.274 177.757 0.517 2
1 843 . 1 1 A 212 212 ALA H H 221 8.516 0.000 8.516 2
1 844 . 1 1 A 212 212 ALA C C 221 176.012 180.169 -4.157 2
1 845 . 1 1 A 212 212 ALA CA C 221 53.964 55.261 -1.297 2
1 846 . 1 1 A 212 212 ALA CB C 221 26.266 18.383 7.883 2
1 847 . 1 1 A 212 212 ALA N N 221 121.722 125.455 -3.733 2
1 848 . 1 1 A 213 213 MET H H 222 7.608 0.000 7.608 2
1 849 . 1 1 A 213 213 MET C C 222 176.340 178.100 -1.760 2
1 850 . 1 1 A 213 213 MET CA C 222 57.966 58.485 -0.519 2
1 851 . 1 1 A 213 213 MET CB C 222 33.887 32.490 1.397 2
1 852 . 1 1 A 213 213 MET N N 222 118.983 116.620 2.363 2
1 853 . 1 1 A 214 214 ALA H H 223 7.036 0.000 7.036 2
1 854 . 1 1 A 214 214 ALA C C 223 180.716 179.915 0.801 2
1 855 . 1 1 A 214 214 ALA CA C 223 54.205 55.096 -0.891 2
1 856 . 1 1 A 214 214 ALA CB C 223 21.014 19.101 1.913 2
1 857 . 1 1 A 214 214 ALA N N 223 123.320 122.518 0.802 2
1 858 . 1 1 A 215 215 SER H H 224 7.512 0.000 7.512 2
1 859 . 1 1 A 215 215 SER CA C 224 64.651 62.930 1.721 2
1 860 . 1 1 A 215 215 SER CB C 224 61.894 61.508 0.386 2
1 861 . 1 1 A 215 215 SER N N 224 111.866 113.542 -1.676 2
1 862 . 1 1 A 216 216 PRO C C 225 179.227 179.242 -0.015 2
1 863 . 1 1 A 216 216 PRO CA C 225 65.432 65.480 -0.048 2
1 864 . 1 1 A 216 216 PRO CB C 225 32.859 31.467 1.392 2
1 865 . 1 1 A 217 217 HIS H H 226 7.616 0.000 7.616 2
1 866 . 1 1 A 217 217 HIS C C 226 177.126 177.847 -0.721 2
1 867 . 1 1 A 217 217 HIS CA C 226 62.578 60.375 2.203 2
1 868 . 1 1 A 217 217 HIS CB C 226 28.305 29.791 -1.486 2
1 869 . 1 1 A 217 217 HIS N N 226 116.899 116.641 0.258 2
1 870 . 1 1 A 218 218 VAL H H 227 7.385 0.000 7.385 2
1 871 . 1 1 A 218 218 VAL C C 227 177.185 177.824 -0.639 2
1 872 . 1 1 A 218 218 VAL CA C 227 65.380 65.915 -0.535 2
1 873 . 1 1 A 218 218 VAL CB C 227 30.471 31.710 -1.239 2
1 874 . 1 1 A 218 218 VAL N N 227 119.192 119.701 -0.509 2
1 875 . 1 1 A 219 219 ALA H H 228 8.359 0.000 8.359 2
1 876 . 1 1 A 219 219 ALA C C 228 179.307 179.981 -0.674 2
1 877 . 1 1 A 219 219 ALA CA C 228 55.754 55.319 0.435 2
1 878 . 1 1 A 219 219 ALA CB C 228 18.397 18.501 -0.104 2
1 879 . 1 1 A 219 219 ALA N N 228 123.007 122.603 0.404 2
1 880 . 1 1 A 220 220 GLY H H 229 8.550 0.000 8.550 2
1 881 . 1 1 A 220 220 GLY C C 229 175.196 176.090 -0.894 2
1 882 . 1 1 A 220 220 GLY CA C 229 47.040 47.025 0.015 2
1 883 . 1 1 A 220 220 GLY N N 229 102.507 103.754 -1.247 2
1 884 . 1 1 A 221 221 ALA H H 230 7.941 0.000 7.941 2
1 885 . 1 1 A 221 221 ALA C C 230 178.780 179.397 -0.617 2
1 886 . 1 1 A 221 221 ALA CA C 230 55.691 54.674 1.017 2
1 887 . 1 1 A 221 221 ALA CB C 230 19.464 18.444 1.020 2
1 888 . 1 1 A 221 221 ALA N N 230 125.095 124.779 0.316 2
1 889 . 1 1 A 222 222 ALA H H 231 8.364 0.000 8.364 2
1 890 . 1 1 A 222 222 ALA C C 231 178.090 179.487 -1.397 2
1 891 . 1 1 A 222 222 ALA CA C 231 55.401 55.149 0.252 2
1 892 . 1 1 A 222 222 ALA CB C 231 18.145 18.433 -0.288 2
1 893 . 1 1 A 222 222 ALA N N 231 118.878 120.172 -1.294 2
1 894 . 1 1 A 223 223 ALA H H 232 7.482 0.000 7.482 2
1 895 . 1 1 A 223 223 ALA C C 232 179.260 180.081 -0.821 2
1 896 . 1 1 A 223 223 ALA CA C 232 55.130 55.160 -0.030 2
1 897 . 1 1 A 223 223 ALA CB C 232 17.160 18.466 -1.306 2
1 898 . 1 1 A 223 223 ALA N N 232 117.982 121.153 -3.171 2
1 899 . 1 1 A 224 224 LEU H H 233 8.109 0.000 8.109 2
1 900 . 1 1 A 224 224 LEU C C 233 180.428 179.154 1.274 2
1 901 . 1 1 A 224 224 LEU CA C 233 58.103 58.261 -0.158 2
1 902 . 1 1 A 224 224 LEU CB C 233 42.324 42.132 0.192 2
1 903 . 1 1 A 224 224 LEU N N 233 117.450 118.404 -0.954 2
1 904 . 1 1 A 225 225 ILE H H 234 8.149 0.000 8.149 2
1 905 . 1 1 A 225 225 ILE C C 234 177.611 178.036 -0.425 2
1 906 . 1 1 A 225 225 ILE CA C 234 66.611 65.671 0.940 2
1 907 . 1 1 A 225 225 ILE CB C 234 38.114 38.100 0.014 2
1 908 . 1 1 A 225 225 ILE N N 234 119.515 119.778 -0.263 2
1 909 . 1 1 A 226 226 LEU H H 235 8.105 0.000 8.105 2
1 910 . 1 1 A 226 226 LEU C C 235 177.606 179.580 -1.974 2
1 911 . 1 1 A 226 226 LEU CA C 235 57.087 57.704 -0.617 2
1 912 . 1 1 A 226 226 LEU CB C 235 42.877 41.111 1.766 2
1 913 . 1 1 A 226 226 LEU N N 235 119.377 118.915 0.462 2
1 914 . 1 1 A 227 227 SER H H 236 7.696 0.000 7.696 2
1 915 . 1 1 A 227 227 SER C C 236 174.716 176.559 -1.843 2
1 916 . 1 1 A 227 227 SER CA C 236 60.536 61.542 -1.006 2
1 917 . 1 1 A 227 227 SER CB C 236 64.272 62.439 1.833 2
1 918 . 1 1 A 227 227 SER N N 236 112.525 113.628 -1.103 2
1 919 . 1 1 A 228 228 LYS H H 237 6.994 0.000 6.994 2
1 920 . 1 1 A 228 228 LYS C C 237 174.917 176.286 -1.369 2
1 921 . 1 1 A 228 228 LYS CA C 237 57.961 57.788 0.173 2
1 922 . 1 1 A 228 228 LYS CB C 237 33.911 32.891 1.020 2
1 923 . 1 1 A 228 228 LYS N N 237 123.356 121.735 1.621 2
1 924 . 1 1 A 229 229 HIS H H 238 7.986 0.000 7.986 2
1 925 . 1 1 A 229 229 HIS CA C 238 51.598 52.673 -1.075 2
1 926 . 1 1 A 229 229 HIS CB C 238 27.150 28.892 -1.742 2
1 927 . 1 1 A 229 229 HIS N N 238 116.518 114.880 1.638 2
1 928 . 1 1 A 230 230 PRO C C 239 177.353 178.625 -1.272 2
1 929 . 1 1 A 230 230 PRO CA C 239 64.824 65.071 -0.247 2
1 930 . 1 1 A 230 230 PRO CB C 239 31.942 31.844 0.098 2
1 931 . 1 1 A 231 231 ASN H H 240 8.323 0.000 8.323 2
1 932 . 1 1 A 231 231 ASN C C 240 176.306 176.208 0.098 2
1 933 . 1 1 A 231 231 ASN CA C 240 52.775 54.569 -1.794 2
1 934 . 1 1 A 231 231 ASN CB C 240 38.135 37.915 0.220 2
1 935 . 1 1 A 231 231 ASN N N 240 112.264 113.535 -1.271 2
1 936 . 1 1 A 232 232 TRP H H 241 7.971 0.000 7.971 2
1 937 . 1 1 A 232 232 TRP C C 241 176.236 176.402 -0.166 2
1 938 . 1 1 A 232 232 TRP CA C 241 56.591 58.215 -1.624 2
1 939 . 1 1 A 232 232 TRP CB C 241 29.841 30.277 -0.436 2
1 940 . 1 1 A 232 232 TRP N N 241 123.940 121.137 2.803 2
1 941 . 1 1 A 233 233 THR H H 242 8.319 0.000 8.319 2
1 942 . 1 1 A 233 233 THR C C 242 175.713 175.981 -0.268 2
1 943 . 1 1 A 233 233 THR CA C 242 60.010 60.650 -0.640 2
1 944 . 1 1 A 233 233 THR CB C 242 72.221 70.946 1.275 2
1 945 . 1 1 A 233 233 THR N N 242 110.156 116.179 -6.023 2
1 946 . 1 1 A 234 234 ASN H H 243 9.181 0.000 9.181 2
1 947 . 1 1 A 234 234 ASN C C 243 177.651 177.760 -0.109 2
1 948 . 1 1 A 234 234 ASN CA C 243 56.479 56.131 0.348 2
1 949 . 1 1 A 234 234 ASN CB C 243 35.518 37.322 -1.804 2
1 950 . 1 1 A 234 234 ASN N N 243 119.788 119.734 0.054 2
1 951 . 1 1 A 235 235 THR H H 244 7.808 0.000 7.808 2
1 952 . 1 1 A 235 235 THR C C 244 176.726 176.784 -0.058 2
1 953 . 1 1 A 235 235 THR CA C 244 65.672 65.841 -0.169 2
1 954 . 1 1 A 235 235 THR CB C 244 68.349 68.461 -0.112 2
1 955 . 1 1 A 235 235 THR N N 244 117.045 112.127 4.918 2
1 956 . 1 1 A 236 236 GLN H H 245 7.488 0.000 7.488 2
1 957 . 1 1 A 236 236 GLN C C 245 178.801 178.795 0.006 2
1 958 . 1 1 A 236 236 GLN CA C 245 59.063 58.488 0.575 2
1 959 . 1 1 A 236 236 GLN CB C 245 29.105 28.071 1.034 2
1 960 . 1 1 A 236 236 GLN N N 245 123.755 121.686 2.069 2
1 961 . 1 1 A 237 237 VAL H H 246 8.577 0.000 8.577 2
1 962 . 1 1 A 237 237 VAL C C 246 174.998 177.896 -2.898 2
1 963 . 1 1 A 237 237 VAL CA C 246 67.488 66.945 0.543 2
1 964 . 1 1 A 237 237 VAL CB C 246 31.865 31.719 0.146 2
1 965 . 1 1 A 237 237 VAL N N 246 120.854 120.553 0.301 2
1 966 . 1 1 A 238 238 ARG H H 247 8.404 0.000 8.404 2
1 967 . 1 1 A 238 238 ARG C C 247 177.381 178.753 -1.372 2
1 968 . 1 1 A 238 238 ARG CA C 247 60.994 59.780 1.214 2
1 969 . 1 1 A 238 238 ARG CB C 247 29.890 29.934 -0.044 2
1 970 . 1 1 A 238 238 ARG N N 247 118.364 120.736 -2.372 2
1 971 . 1 1 A 239 239 SER H H 248 8.289 0.000 8.289 2
1 972 . 1 1 A 239 239 SER C C 248 176.451 176.228 0.223 2
1 973 . 1 1 A 239 239 SER CA C 248 61.953 61.906 0.047 2
1 974 . 1 1 A 239 239 SER CB C 248 62.815 62.707 0.108 2
1 975 . 1 1 A 239 239 SER N N 248 113.091 116.915 -3.824 2
1 976 . 1 1 A 240 240 SER H H 249 8.048 0.000 8.048 2
1 977 . 1 1 A 240 240 SER C C 249 177.406 177.082 0.324 2
1 978 . 1 1 A 240 240 SER CA C 249 62.852 61.916 0.936 2
1 979 . 1 1 A 240 240 SER CB C 249 60.172 63.147 -2.975 2
1 980 . 1 1 A 240 240 SER N N 249 116.602 116.698 -0.096 2
1 981 . 1 1 A 241 241 LEU H H 250 7.784 0.000 7.784 2
1 982 . 1 1 A 241 241 LEU C C 250 179.012 178.746 0.266 2
1 983 . 1 1 A 241 241 LEU CA C 250 57.648 58.141 -0.493 2
1 984 . 1 1 A 241 241 LEU CB C 250 43.280 41.571 1.709 2
1 985 . 1 1 A 241 241 LEU N N 250 120.904 122.317 -1.413 2
1 986 . 1 1 A 242 242 GLU H H 251 8.226 0.000 8.226 2
1 987 . 1 1 A 242 242 GLU C C 251 177.420 178.517 -1.097 2
1 988 . 1 1 A 242 242 GLU CA C 251 60.091 59.772 0.319 2
1 989 . 1 1 A 242 242 GLU CB C 251 30.566 29.386 1.180 2
1 990 . 1 1 A 242 242 GLU N N 251 115.440 117.243 -1.803 2
1 991 . 1 1 A 243 243 ASN H H 252 8.267 0.000 8.267 2
1 992 . 1 1 A 243 243 ASN C C 252 176.695 176.466 0.229 2
1 993 . 1 1 A 243 243 ASN CA C 252 54.533 55.049 -0.516 2
1 994 . 1 1 A 243 243 ASN CB C 252 39.272 38.855 0.417 2
1 995 . 1 1 A 243 243 ASN N N 252 112.787 115.631 -2.844 2
1 996 . 1 1 A 244 244 THR H H 253 7.069 0.000 7.069 2
1 997 . 1 1 A 244 244 THR C C 253 173.804 174.449 -0.645 2
1 998 . 1 1 A 244 244 THR CA C 253 61.335 61.047 0.288 2
1 999 . 1 1 A 244 244 THR CB C 253 69.109 69.347 -0.238 2
1 1000 . 1 1 A 244 244 THR N N 253 106.835 106.064 0.771 2
1 1001 . 1 1 A 245 245 THR H H 254 6.757 0.000 6.757 2
1 1002 . 1 1 A 245 245 THR C C 254 176.549 174.296 2.253 2
1 1003 . 1 1 A 245 245 THR CA C 254 61.222 61.775 -0.553 2
1 1004 . 1 1 A 245 245 THR CB C 254 70.223 70.078 0.145 2
1 1005 . 1 1 A 245 245 THR N N 254 110.040 116.713 -6.673 2
1 1006 . 1 1 A 246 246 THR H H 255 9.021 0.000 9.021 2
1 1007 . 1 1 A 246 246 THR C C 255 173.967 174.306 -0.339 2
1 1008 . 1 1 A 246 246 THR CA C 255 62.263 62.290 -0.027 2
1 1009 . 1 1 A 246 246 THR CB C 255 70.129 69.466 0.663 2
1 1010 . 1 1 A 246 246 THR N N 255 118.298 118.683 -0.385 2
1 1011 . 1 1 A 247 247 LYS H H 256 8.645 0.000 8.645 2
1 1012 . 1 1 A 247 247 LYS C C 256 176.429 176.038 0.391 2
1 1013 . 1 1 A 247 247 LYS CA C 256 58.219 56.829 1.390 2
1 1014 . 1 1 A 247 247 LYS CB C 256 32.178 32.328 -0.150 2
1 1015 . 1 1 A 247 247 LYS N N 256 130.611 127.278 3.333 2
1 1016 . 1 1 A 248 248 LEU H H 257 7.575 0.000 7.575 2
1 1017 . 1 1 A 248 248 LEU C C 257 175.429 176.274 -0.845 2
1 1018 . 1 1 A 248 248 LEU CA C 257 53.806 53.777 0.029 2
1 1019 . 1 1 A 248 248 LEU CB C 257 44.349 42.512 1.837 2
1 1020 . 1 1 A 248 248 LEU N N 257 123.320 126.334 -3.014 2
1 1021 . 1 1 A 249 249 GLY H H 258 6.078 0.000 6.078 2
1 1022 . 1 1 A 249 249 GLY CA C 258 44.640 44.418 0.222 2
1 1023 . 1 1 A 249 249 GLY N N 258 104.504 110.273 -5.769 2
1 1024 . 1 1 A 250 250 ASP C C 259 175.269 177.368 -2.099 2
1 1025 . 1 1 A 250 250 ASP CA C 259 57.343 55.143 2.200 2
1 1026 . 1 1 A 250 250 ASP CB C 259 42.115 42.799 -0.684 2
1 1027 . 1 1 A 251 251 SER H H 260 8.850 0.000 8.850 2
1 1028 . 1 1 A 251 251 SER C C 260 176.662 176.686 -0.024 2
1 1029 . 1 1 A 251 251 SER CA C 260 65.432 61.744 3.688 2
1 1030 . 1 1 A 251 251 SER CB C 260 63.189 62.499 0.690 2
1 1031 . 1 1 A 251 251 SER N N 260 115.606 122.411 -6.805 2
1 1032 . 1 1 A 252 252 PHE H H 261 8.809 0.000 8.809 2
1 1033 . 1 1 A 252 252 PHE C C 261 172.875 176.387 -3.512 2
1 1034 . 1 1 A 252 252 PHE CA C 261 61.891 61.287 0.604 2
1 1035 . 1 1 A 252 252 PHE CB C 261 39.931 38.809 1.122 2
1 1036 . 1 1 A 252 252 PHE N N 261 126.172 124.130 2.042 2
1 1037 . 1 1 A 253 253 TYR H H 262 7.089 0.000 7.089 2
1 1038 . 1 1 A 253 253 TYR C C 262 175.990 176.884 -0.894 2
1 1039 . 1 1 A 253 253 TYR CA C 262 58.711 59.787 -1.076 2
1 1040 . 1 1 A 253 253 TYR CB C 262 41.747 39.828 1.919 2
1 1041 . 1 1 A 253 253 TYR N N 262 108.785 114.703 -5.918 2
1 1042 . 1 1 A 254 254 TYR H H 263 7.882 0.000 7.882 2
1 1043 . 1 1 A 254 254 TYR C C 263 175.378 176.325 -0.947 2
1 1044 . 1 1 A 254 254 TYR CA C 263 58.630 58.343 0.287 2
1 1045 . 1 1 A 254 254 TYR CB C 263 42.199 40.200 1.999 2
1 1046 . 1 1 A 254 254 TYR N N 263 113.731 114.607 -0.876 2
1 1047 . 1 1 A 255 255 GLY H H 264 8.323 0.000 8.323 2
1 1048 . 1 1 A 255 255 GLY C C 264 175.361 175.625 -0.264 2
1 1049 . 1 1 A 255 255 GLY CA C 264 46.616 46.963 -0.347 2
1 1050 . 1 1 A 255 255 GLY N N 264 110.198 108.865 1.333 2
1 1051 . 1 1 A 256 256 LYS H H 265 8.964 0.000 8.964 2
1 1052 . 1 1 A 256 256 LYS C C 265 177.293 176.766 0.527 2
1 1053 . 1 1 A 256 256 LYS CA C 265 57.663 56.712 0.951 2
1 1054 . 1 1 A 256 256 LYS CB C 265 32.618 32.928 -0.310 2
1 1055 . 1 1 A 256 256 LYS N N 265 123.662 126.117 -2.455 2
1 1056 . 1 1 A 257 257 GLY H H 266 8.245 0.000 8.245 2
1 1057 . 1 1 A 257 257 GLY C C 266 172.128 172.558 -0.430 2
1 1058 . 1 1 A 257 257 GLY CA C 266 43.890 43.889 0.001 2
1 1059 . 1 1 A 257 257 GLY N N 266 107.719 106.407 1.312 2
1 1060 . 1 1 A 258 258 LEU H H 267 8.246 0.000 8.246 2
1 1061 . 1 1 A 258 258 LEU C C 267 176.868 176.253 0.615 2
1 1062 . 1 1 A 258 258 LEU CA C 267 54.094 54.419 -0.325 2
1 1063 . 1 1 A 258 258 LEU CB C 267 45.461 43.957 1.504 2
1 1064 . 1 1 A 258 258 LEU N N 267 121.474 121.843 -0.369 2
1 1065 . 1 1 A 259 259 ILE H H 268 7.086 0.000 7.086 2
1 1066 . 1 1 A 259 259 ILE C C 268 173.743 175.460 -1.717 2
1 1067 . 1 1 A 259 259 ILE CA C 268 62.860 61.125 1.735 2
1 1068 . 1 1 A 259 259 ILE CB C 268 39.865 38.867 0.998 2
1 1069 . 1 1 A 259 259 ILE N N 268 117.202 120.457 -3.255 2
1 1070 . 1 1 A 260 260 ASN H H 269 9.273 0.000 9.273 2
1 1071 . 1 1 A 260 260 ASN C C 269 175.687 175.336 0.351 2
1 1072 . 1 1 A 260 260 ASN CA C 269 51.570 51.956 -0.386 2
1 1073 . 1 1 A 260 260 ASN CB C 269 39.542 39.053 0.489 2
1 1074 . 1 1 A 260 260 ASN N N 269 120.206 124.096 -3.890 2
1 1075 . 1 1 A 261 261 VAL H H 270 8.787 0.000 8.787 2
1 1076 . 1 1 A 261 261 VAL C C 270 175.278 176.916 -1.638 2
1 1077 . 1 1 A 261 261 VAL CA C 270 65.250 64.864 0.386 2
1 1078 . 1 1 A 261 261 VAL CB C 270 32.658 31.831 0.827 2
1 1079 . 1 1 A 261 261 VAL N N 270 120.446 125.383 -4.937 2
1 1080 . 1 1 A 262 262 GLU H H 271 7.245 0.000 7.245 2
1 1081 . 1 1 A 262 262 GLU C C 271 178.563 178.572 -0.009 2
1 1082 . 1 1 A 262 262 GLU CA C 271 59.910 59.304 0.606 2
1 1083 . 1 1 A 262 262 GLU CB C 271 29.854 29.527 0.327 2
1 1084 . 1 1 A 262 262 GLU N N 271 120.949 120.993 -0.044 2
1 1085 . 1 1 A 263 263 ALA H H 272 7.255 0.000 7.255 2
1 1086 . 1 1 A 263 263 ALA C C 272 180.651 179.751 0.900 2
1 1087 . 1 1 A 263 263 ALA CA C 272 53.994 54.939 -0.945 2
1 1088 . 1 1 A 263 263 ALA CB C 272 19.763 18.270 1.493 2
1 1089 . 1 1 A 263 263 ALA N N 272 120.774 120.937 -0.163 2
1 1090 . 1 1 A 264 264 ALA H H 273 8.238 0.000 8.238 2
1 1091 . 1 1 A 264 264 ALA C C 273 178.741 179.940 -1.199 2
1 1092 . 1 1 A 264 264 ALA CA C 273 54.852 55.014 -0.162 2
1 1093 . 1 1 A 264 264 ALA CB C 273 20.293 18.438 1.855 2
1 1094 . 1 1 A 264 264 ALA N N 273 120.503 120.493 0.010 2
1 1095 . 1 1 A 265 265 ALA H H 274 7.736 0.000 7.736 2
1 1096 . 1 1 A 265 265 ALA C C 274 177.049 176.897 0.152 2
1 1097 . 1 1 A 265 265 ALA CA C 274 52.165 52.322 -0.157 2
1 1098 . 1 1 A 265 265 ALA CB C 274 20.306 19.347 0.959 2
1 1099 . 1 1 A 265 265 ALA N N 274 114.717 119.091 -4.374 2
stop_
save_