data_15680_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15680
_Entry.PDB_ID 2A3K
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 1 A 4 4 THR H H 66 8.042 8.187 -0.145 1
1 5 . 1 1 1 A 4 4 THR CA C 66 60.147 67.667 -7.520 1
1 6 . 1 1 1 A 4 4 THR CB C 66 69.074 66.530 2.544 1
1 7 . 1 1 1 A 4 4 THR N N 66 116.025 118.267 -2.242 1
1 8 . 1 1 1 A 5 5 PRO C C 67 174.647 178.728 -4.081 1
1 9 . 1 1 1 A 5 5 PRO CA C 67 64.198 66.207 -2.009 1
1 10 . 1 1 1 A 5 5 PRO CB C 67 31.218 30.627 0.591 1
1 11 . 1 1 1 A 6 6 ARG H H 68 8.366 8.240 0.126 1
1 12 . 1 1 1 A 6 6 ARG C C 68 176.370 178.679 -2.309 1
1 13 . 1 1 1 A 6 6 ARG CA C 68 58.379 59.219 -0.840 1
1 14 . 1 1 1 A 6 6 ARG CB C 68 29.118 29.694 -0.576 1
1 15 . 1 1 1 A 6 6 ARG N N 68 121.076 118.171 2.905 1
1 16 . 1 1 1 A 7 7 GLU H H 69 8.271 7.995 0.276 1
1 17 . 1 1 1 A 7 7 GLU C C 69 177.769 179.090 -1.321 1
1 18 . 1 1 1 A 7 7 GLU CA C 69 59.058 59.215 -0.157 1
1 19 . 1 1 1 A 7 7 GLU CB C 69 28.639 28.918 -0.279 1
1 20 . 1 1 1 A 7 7 GLU N N 69 118.430 119.748 -1.318 1
1 21 . 1 1 1 A 8 8 VAL H H 70 7.746 7.816 -0.070 1
1 22 . 1 1 1 A 8 8 VAL C C 70 177.340 178.518 -1.178 1
1 23 . 1 1 1 A 8 8 VAL CA C 70 65.719 66.132 -0.413 1
1 24 . 1 1 1 A 8 8 VAL CB C 70 31.057 31.560 -0.503 1
1 25 . 1 1 1 A 8 8 VAL N N 70 120.914 120.838 0.076 1
1 26 . 1 1 1 A 9 9 THR H H 71 7.844 8.116 -0.272 1
1 27 . 1 1 1 A 9 9 THR C C 71 174.478 176.573 -2.095 1
1 28 . 1 1 1 A 9 9 THR CA C 71 65.785 66.990 -1.205 1
1 29 . 1 1 1 A 9 9 THR CB C 71 68.238 68.148 0.090 1
1 30 . 1 1 1 A 9 9 THR N N 71 117.710 117.536 0.174 1
1 31 . 1 1 1 A 10 10 LEU H H 72 8.100 7.903 0.197 1
1 32 . 1 1 1 A 10 10 LEU C C 72 176.949 178.964 -2.015 1
1 33 . 1 1 1 A 10 10 LEU CA C 72 57.715 57.481 0.234 1
1 34 . 1 1 1 A 10 10 LEU CB C 72 40.516 41.766 -1.250 1
1 35 . 1 1 1 A 10 10 LEU N N 72 120.695 120.049 0.646 1
1 36 . 1 1 1 A 11 11 HIS H H 73 7.970 8.047 -0.077 1
1 37 . 1 1 1 A 11 11 HIS C C 73 176.999 177.044 -0.045 1
1 38 . 1 1 1 A 11 11 HIS CA C 73 60.129 58.992 1.137 1
1 39 . 1 1 1 A 11 11 HIS CB C 73 30.146 30.136 0.010 1
1 40 . 1 1 1 A 11 11 HIS N N 73 117.939 117.811 0.128 1
1 41 . 1 1 1 A 12 12 PHE H H 74 7.966 8.048 -0.082 1
1 42 . 1 1 1 A 12 12 PHE C C 74 175.848 177.150 -1.302 1
1 43 . 1 1 1 A 12 12 PHE CA C 74 61.723 61.304 0.419 1
1 44 . 1 1 1 A 12 12 PHE CB C 74 38.487 39.120 -0.633 1
1 45 . 1 1 1 A 12 12 PHE N N 74 121.167 120.419 0.748 1
1 46 . 1 1 1 A 13 13 LEU H H 75 8.066 8.563 -0.497 1
1 47 . 1 1 1 A 13 13 LEU C C 75 176.843 178.982 -2.139 1
1 48 . 1 1 1 A 13 13 LEU CA C 75 57.274 57.744 -0.470 1
1 49 . 1 1 1 A 13 13 LEU CB C 75 40.310 41.260 -0.950 1
1 50 . 1 1 1 A 13 13 LEU N N 75 117.282 119.193 -1.911 1
1 51 . 1 1 1 A 14 14 ARG H H 76 7.974 7.923 0.051 1
1 52 . 1 1 1 A 14 14 ARG C C 76 176.140 177.612 -1.472 1
1 53 . 1 1 1 A 14 14 ARG CA C 76 57.872 58.163 -0.291 1
1 54 . 1 1 1 A 14 14 ARG CB C 76 30.820 30.649 0.171 1
1 55 . 1 1 1 A 14 14 ARG N N 76 113.709 117.228 -3.519 1
1 56 . 1 1 1 A 15 15 THR H H 77 7.169 7.512 -0.343 1
1 57 . 1 1 1 A 15 15 THR C C 77 173.391 174.723 -1.332 1
1 58 . 1 1 1 A 15 15 THR CA C 77 61.835 61.533 0.302 1
1 59 . 1 1 1 A 15 15 THR CB C 77 71.205 70.425 0.780 1
1 60 . 1 1 1 A 15 15 THR N N 77 106.940 106.105 0.835 1
1 61 . 1 1 1 A 16 16 ALA H H 78 7.895 7.395 0.500 1
1 62 . 1 1 1 A 16 16 ALA C C 78 176.001 177.051 -1.050 1
1 63 . 1 1 1 A 16 16 ALA CA C 78 52.889 52.750 0.139 1
1 64 . 1 1 1 A 16 16 ALA CB C 78 18.717 18.801 -0.084 1
1 65 . 1 1 1 A 16 16 ALA N N 78 127.564 125.866 1.698 1
1 66 . 1 1 1 A 17 17 GLY H H 79 7.744 8.383 -0.639 1
1 67 . 1 1 1 A 17 17 GLY C C 79 171.221 172.150 -0.929 1
1 68 . 1 1 1 A 17 17 GLY CA C 79 46.460 45.905 0.555 1
1 69 . 1 1 1 A 17 17 GLY N N 79 105.662 107.384 -1.722 1
1 70 . 1 1 1 A 18 18 HIS H H 80 10.487 8.728 1.759 1
1 71 . 1 1 1 A 18 18 HIS CA C 80 52.163 53.719 -1.556 1
1 72 . 1 1 1 A 18 18 HIS CB C 80 29.160 30.476 -1.316 1
1 73 . 1 1 1 A 18 18 HIS N N 80 121.968 122.548 -0.580 1
1 74 . 1 1 1 A 19 19 PRO C C 81 174.854 176.146 -1.292 1
1 75 . 1 1 1 A 19 19 PRO CA C 81 63.778 63.181 0.597 1
1 76 . 1 1 1 A 19 19 PRO CB C 81 31.130 32.052 -0.922 1
1 77 . 1 1 1 A 20 20 LEU H H 82 9.058 8.560 0.498 1
1 78 . 1 1 1 A 20 20 LEU C C 82 174.982 176.951 -1.969 1
1 79 . 1 1 1 A 20 20 LEU CA C 82 53.013 53.509 -0.496 1
1 80 . 1 1 1 A 20 20 LEU CB C 82 43.999 43.587 0.412 1
1 81 . 1 1 1 A 20 20 LEU N N 82 125.555 122.969 2.586 1
1 82 . 1 1 1 A 21 21 THR H H 83 8.100 8.582 -0.482 1
1 83 . 1 1 1 A 21 21 THR C C 83 172.310 175.628 -3.318 1
1 84 . 1 1 1 A 21 21 THR CA C 83 61.337 61.325 0.012 1
1 85 . 1 1 1 A 21 21 THR CB C 83 70.933 70.660 0.273 1
1 86 . 1 1 1 A 21 21 THR N N 83 112.402 115.698 -3.296 1
1 87 . 1 1 1 A 22 22 ARG H H 84 9.342 8.837 0.505 1
1 88 . 1 1 1 A 22 22 ARG C C 84 175.178 177.910 -2.732 1
1 89 . 1 1 1 A 22 22 ARG CA C 84 60.058 59.932 0.126 1
1 90 . 1 1 1 A 22 22 ARG CB C 84 32.951 30.068 2.883 1
1 91 . 1 1 1 A 22 22 ARG N N 84 129.435 122.382 7.053 1
1 92 . 1 1 1 A 23 23 TRP H H 85 7.867 8.037 -0.170 1
1 93 . 1 1 1 A 23 23 TRP C C 85 176.043 177.675 -1.632 1
1 94 . 1 1 1 A 23 23 TRP CA C 85 60.324 61.138 -0.814 1
1 95 . 1 1 1 A 23 23 TRP CB C 85 29.188 29.394 -0.206 1
1 96 . 1 1 1 A 23 23 TRP N N 85 117.776 122.007 -4.231 1
1 97 . 1 1 1 A 24 24 ALA H H 86 8.044 8.194 -0.150 1
1 98 . 1 1 1 A 24 24 ALA C C 86 178.461 179.445 -0.984 1
1 99 . 1 1 1 A 24 24 ALA CA C 86 55.081 55.126 -0.045 1
1 100 . 1 1 1 A 24 24 ALA CB C 86 17.905 18.136 -0.231 1
1 101 . 1 1 1 A 24 24 ALA N N 86 123.425 121.119 2.306 1
1 102 . 1 1 1 A 25 25 LEU H H 87 8.109 7.956 0.153 1
1 103 . 1 1 1 A 25 25 LEU C C 87 175.404 178.504 -3.100 1
1 104 . 1 1 1 A 25 25 LEU CA C 87 57.294 57.580 -0.286 1
1 105 . 1 1 1 A 25 25 LEU CB C 87 41.703 41.531 0.172 1
1 106 . 1 1 1 A 25 25 LEU N N 87 115.256 119.533 -4.277 1
1 107 . 1 1 1 A 26 26 GLN H H 88 7.253 7.894 -0.641 1
1 108 . 1 1 1 A 26 26 GLN C C 88 176.087 177.029 -0.942 1
1 109 . 1 1 1 A 26 26 GLN CA C 88 57.769 58.405 -0.636 1
1 110 . 1 1 1 A 26 26 GLN CB C 88 30.845 29.366 1.479 1
1 111 . 1 1 1 A 26 26 GLN N N 88 111.379 118.873 -7.494 1
1 112 . 1 1 1 A 27 27 ARG H H 89 8.136 8.056 0.080 1
1 113 . 1 1 1 A 27 27 ARG C C 89 175.104 175.411 -0.307 1
1 114 . 1 1 1 A 27 27 ARG CA C 89 55.838 55.195 0.643 1
1 115 . 1 1 1 A 27 27 ARG CB C 89 30.445 31.690 -1.245 1
1 116 . 1 1 1 A 27 27 ARG N N 89 115.356 115.078 0.278 1
1 117 . 1 1 1 A 28 28 GLN H H 90 8.356 7.733 0.623 1
1 118 . 1 1 1 A 28 28 GLN CA C 90 53.328 53.681 -0.353 1
1 119 . 1 1 1 A 28 28 GLN CB C 90 29.242 28.803 0.439 1
1 120 . 1 1 1 A 28 28 GLN N N 90 119.945 119.309 0.636 1
1 121 . 1 1 1 A 30 30 PRO C C 92 173.876 177.014 -3.138 1
1 122 . 1 1 1 A 30 30 PRO CA C 92 61.990 62.657 -0.667 1
1 123 . 1 1 1 A 30 30 PRO CB C 92 31.037 32.272 -1.235 1
1 124 . 1 1 1 A 31 31 SER H H 93 8.432 8.298 0.134 1
1 125 . 1 1 1 A 31 31 SER CA C 93 55.846 56.969 -1.123 1
1 126 . 1 1 1 A 31 31 SER CB C 93 63.047 63.000 0.047 1
1 127 . 1 1 1 A 31 31 SER N N 93 118.787 115.762 3.025 1
1 128 . 1 1 1 A 33 33 LYS C C 95 174.205 178.820 -4.615 1
1 129 . 1 1 1 A 33 33 LYS CA C 95 56.196 59.535 -3.339 1
1 130 . 1 1 1 A 33 33 LYS CB C 95 26.610 32.316 -5.706 1
1 131 . 1 1 1 A 34 34 GLN H H 96 7.568 8.101 -0.533 1
1 132 . 1 1 1 A 34 34 GLN C C 96 178.493 179.190 -0.697 1
1 133 . 1 1 1 A 34 34 GLN CA C 96 56.100 58.887 -2.787 1
1 134 . 1 1 1 A 34 34 GLN CB C 96 29.769 28.221 1.548 1
1 135 . 1 1 1 A 34 34 GLN N N 96 119.561 118.453 1.108 1
1 136 . 1 1 1 A 35 35 LEU H H 97 8.269 8.280 -0.011 1
1 137 . 1 1 1 A 35 35 LEU C C 97 177.068 179.336 -2.268 1
1 138 . 1 1 1 A 35 35 LEU CA C 97 57.233 57.538 -0.305 1
1 139 . 1 1 1 A 35 35 LEU CB C 97 41.507 41.154 0.353 1
1 140 . 1 1 1 A 35 35 LEU N N 97 119.672 120.279 -0.607 1
1 141 . 1 1 1 A 36 36 GLU H H 98 8.231 8.169 0.062 1
1 142 . 1 1 1 A 36 36 GLU C C 98 176.184 179.365 -3.181 1
1 143 . 1 1 1 A 36 36 GLU CA C 98 59.881 59.941 -0.060 1
1 144 . 1 1 1 A 36 36 GLU CB C 98 28.933 29.253 -0.320 1
1 145 . 1 1 1 A 36 36 GLU N N 98 121.178 120.099 1.079 1
1 146 . 1 1 1 A 37 37 GLU H H 99 7.818 8.257 -0.439 1
1 147 . 1 1 1 A 37 37 GLU C C 99 177.227 179.056 -1.829 1
1 148 . 1 1 1 A 37 37 GLU CA C 99 59.140 59.452 -0.312 1
1 149 . 1 1 1 A 37 37 GLU CB C 99 28.835 29.284 -0.449 1
1 150 . 1 1 1 A 37 37 GLU N N 99 117.438 120.370 -2.932 1
1 151 . 1 1 1 A 38 38 GLU H H 100 7.907 8.151 -0.244 1
1 152 . 1 1 1 A 38 38 GLU C C 100 171.740 178.751 -7.011 1
1 153 . 1 1 1 A 38 38 GLU CA C 100 59.450 59.575 -0.125 1
1 154 . 1 1 1 A 38 38 GLU CB C 100 31.097 29.566 1.531 1
1 155 . 1 1 1 A 38 38 GLU N N 100 119.713 120.083 -0.370 1
1 156 . 1 1 1 A 39 39 PHE H H 101 8.484 8.015 0.469 1
1 157 . 1 1 1 A 39 39 PHE C C 101 176.911 176.656 0.255 1
1 158 . 1 1 1 A 39 39 PHE CA C 101 60.703 61.187 -0.484 1
1 159 . 1 1 1 A 39 39 PHE CB C 101 38.535 39.108 -0.573 1
1 160 . 1 1 1 A 39 39 PHE N N 101 118.829 120.400 -1.571 1
1 161 . 1 1 1 A 40 40 LEU H H 102 7.992 8.197 -0.205 1
1 162 . 1 1 1 A 40 40 LEU C C 102 176.641 178.821 -2.180 1
1 163 . 1 1 1 A 40 40 LEU CA C 102 56.283 56.813 -0.530 1
1 164 . 1 1 1 A 40 40 LEU CB C 102 40.932 41.517 -0.585 1
1 165 . 1 1 1 A 40 40 LEU N N 102 117.592 118.736 -1.144 1
1 166 . 1 1 1 A 41 41 LYS H H 103 7.010 7.826 -0.816 1
1 167 . 1 1 1 A 41 41 LYS C C 103 174.501 176.719 -2.218 1
1 168 . 1 1 1 A 41 41 LYS CA C 103 56.340 57.633 -1.293 1
1 169 . 1 1 1 A 41 41 LYS CB C 103 32.483 32.501 -0.018 1
1 170 . 1 1 1 A 41 41 LYS N N 103 117.014 116.728 0.286 1
1 171 . 1 1 1 A 42 42 ILE H H 104 7.036 7.523 -0.487 1
1 172 . 1 1 1 A 42 42 ILE CA C 104 59.508 58.578 0.930 1
1 173 . 1 1 1 A 42 42 ILE CB C 104 37.707 37.917 -0.210 1
1 174 . 1 1 1 A 42 42 ILE N N 104 120.010 121.012 -1.002 1
1 175 . 1 1 1 A 43 43 PRO C C 105 176.402 177.064 -0.662 1
1 176 . 1 1 1 A 43 43 PRO CA C 105 62.293 62.394 -0.101 1
1 177 . 1 1 1 A 43 43 PRO CB C 105 31.861 32.664 -0.803 1
1 178 . 1 1 1 A 44 44 SER H H 106 8.545 8.802 -0.257 1
1 179 . 1 1 1 A 44 44 SER C C 106 173.100 174.253 -1.153 1
1 180 . 1 1 1 A 44 44 SER CA C 106 61.333 61.184 0.149 1
1 181 . 1 1 1 A 44 44 SER CB C 106 62.599 62.993 -0.394 1
1 182 . 1 1 1 A 44 44 SER N N 106 119.512 117.948 1.564 1
1 183 . 1 1 1 A 45 45 ASN H H 107 8.519 8.245 0.274 1
1 184 . 1 1 1 A 45 45 ASN C C 107 173.139 174.240 -1.101 1
1 185 . 1 1 1 A 45 45 ASN CA C 107 53.239 54.244 -1.005 1
1 186 . 1 1 1 A 45 45 ASN CB C 107 38.673 37.668 1.005 1
1 187 . 1 1 1 A 45 45 ASN N N 107 117.189 118.593 -1.404 1
1 188 . 1 1 1 A 46 46 PHE H H 108 7.564 7.712 -0.148 1
1 189 . 1 1 1 A 46 46 PHE C C 108 176.767 175.707 1.060 1
1 190 . 1 1 1 A 46 46 PHE CA C 108 57.266 58.322 -1.056 1
1 191 . 1 1 1 A 46 46 PHE CB C 108 38.710 39.567 -0.857 1
1 192 . 1 1 1 A 46 46 PHE N N 108 114.458 119.147 -4.689 1
1 193 . 1 1 1 A 47 47 VAL H H 109 9.120 8.538 0.582 1
1 194 . 1 1 1 A 47 47 VAL C C 109 173.906 176.405 -2.499 1
1 195 . 1 1 1 A 47 47 VAL CA C 109 60.226 63.196 -2.970 1
1 196 . 1 1 1 A 47 47 VAL CB C 109 32.273 32.146 0.127 1
1 197 . 1 1 1 A 47 47 VAL N N 109 122.604 124.282 -1.678 1
1 198 . 1 1 1 A 48 48 SER H H 110 8.929 8.561 0.368 1
1 199 . 1 1 1 A 48 48 SER CA C 110 55.978 56.838 -0.860 1
1 200 . 1 1 1 A 48 48 SER CB C 110 63.252 62.871 0.381 1
1 201 . 1 1 1 A 48 48 SER N N 110 122.921 122.003 0.918 1
1 202 . 1 1 1 A 49 49 PRO C C 111 177.538 178.624 -1.086 1
1 203 . 1 1 1 A 49 49 PRO CA C 111 65.612 65.464 0.148 1
1 204 . 1 1 1 A 49 49 PRO CB C 111 30.794 32.079 -1.285 1
1 205 . 1 1 1 A 50 50 GLU H H 112 8.754 8.392 0.362 1
1 206 . 1 1 1 A 50 50 GLU C C 112 175.659 178.051 -2.392 1
1 207 . 1 1 1 A 50 50 GLU CA C 112 58.408 58.787 -0.379 1
1 208 . 1 1 1 A 50 50 GLU CB C 112 27.788 29.290 -1.502 1
1 209 . 1 1 1 A 50 50 GLU N N 112 116.615 116.835 -0.220 1
1 210 . 1 1 1 A 51 51 ASP H H 113 7.723 7.927 -0.204 1
1 211 . 1 1 1 A 51 51 ASP C C 113 174.315 176.998 -2.683 1
1 212 . 1 1 1 A 51 51 ASP CA C 113 55.097 54.429 0.668 1
1 213 . 1 1 1 A 51 51 ASP CB C 113 40.593 39.943 0.650 1
1 214 . 1 1 1 A 51 51 ASP N N 113 118.894 117.681 1.213 1
1 215 . 1 1 1 A 52 52 LEU H H 114 7.243 7.614 -0.371 1
1 216 . 1 1 1 A 52 52 LEU CA C 114 54.677 56.777 -2.100 1
1 217 . 1 1 1 A 52 52 LEU CB C 114 42.039 42.824 -0.785 1
1 218 . 1 1 1 A 52 52 LEU N N 114 121.383 120.218 1.165 1
1 219 . 1 1 1 A 56 56 GLY C C 118 173.020 175.319 -2.299 1
1 220 . 1 1 1 A 56 56 GLY CA C 118 45.710 46.271 -0.561 1
1 221 . 1 1 1 A 57 57 HIS H H 119 8.569 8.167 0.402 1
1 222 . 1 1 1 A 57 57 HIS C C 119 175.487 176.835 -1.348 1
1 223 . 1 1 1 A 57 57 HIS CA C 119 54.680 57.246 -2.566 1
1 224 . 1 1 1 A 57 57 HIS CB C 119 27.027 27.847 -0.820 1
1 225 . 1 1 1 A 57 57 HIS N N 119 114.667 118.664 -3.997 1
1 226 . 1 1 1 A 58 58 ALA H H 120 8.272 8.299 -0.027 1
1 227 . 1 1 1 A 58 58 ALA CA C 120 54.209 54.806 -0.597 1
1 228 . 1 1 1 A 58 58 ALA CB C 120 17.714 18.083 -0.369 1
1 229 . 1 1 1 A 58 58 ALA N N 120 121.470 123.375 -1.905 1
1 230 . 1 1 1 A 59 59 SER C C 121 173.174 174.873 -1.699 1
1 231 . 1 1 1 A 59 59 SER CA C 121 59.608 59.348 0.260 1
1 232 . 1 1 1 A 59 59 SER CB C 121 62.628 62.963 -0.335 1
1 233 . 1 1 1 A 60 60 LYS H H 122 8.109 7.745 0.364 1
1 234 . 1 1 1 A 60 60 LYS C C 122 173.021 175.267 -2.246 1
1 235 . 1 1 1 A 60 60 LYS CA C 122 55.566 55.650 -0.084 1
1 236 . 1 1 1 A 60 60 LYS CB C 122 32.008 34.032 -2.024 1
1 237 . 1 1 1 A 60 60 LYS N N 122 120.415 119.427 0.988 1
1 238 . 1 1 1 A 61 61 ASP H H 123 7.202 7.616 -0.414 1
1 239 . 1 1 1 A 61 61 ASP C C 123 172.962 175.727 -2.765 1
1 240 . 1 1 1 A 61 61 ASP CA C 123 53.671 52.976 0.695 1
1 241 . 1 1 1 A 61 61 ASP CB C 123 42.832 42.979 -0.147 1
1 242 . 1 1 1 A 61 61 ASP N N 123 121.737 120.208 1.529 1
1 243 . 1 1 1 A 62 62 ARG H H 124 9.057 8.938 0.119 1
1 244 . 1 1 1 A 62 62 ARG C C 124 174.641 175.071 -0.430 1
1 245 . 1 1 1 A 62 62 ARG CA C 124 59.224 58.076 1.148 1
1 246 . 1 1 1 A 62 62 ARG CB C 124 30.090 30.916 -0.826 1
1 247 . 1 1 1 A 62 62 ARG N N 124 126.614 123.851 2.763 1
1 248 . 1 1 1 A 63 63 TYR H H 125 9.364 8.486 0.878 1
1 249 . 1 1 1 A 63 63 TYR C C 125 175.065 176.230 -1.165 1
1 250 . 1 1 1 A 63 63 TYR CA C 125 56.267 56.018 0.249 1
1 251 . 1 1 1 A 63 63 TYR CB C 125 39.058 40.875 -1.817 1
1 252 . 1 1 1 A 63 63 TYR N N 125 119.223 117.481 1.742 1
1 253 . 1 1 1 A 64 64 LYS H H 126 8.409 9.111 -0.702 1
1 254 . 1 1 1 A 64 64 LYS C C 126 175.857 177.329 -1.472 1
1 255 . 1 1 1 A 64 64 LYS CA C 126 58.156 59.531 -1.375 1
1 256 . 1 1 1 A 64 64 LYS CB C 126 31.383 32.113 -0.730 1
1 257 . 1 1 1 A 64 64 LYS N N 126 120.842 124.327 -3.485 1
1 258 . 1 1 1 A 65 65 THR H H 127 7.400 7.584 -0.184 1
1 259 . 1 1 1 A 65 65 THR C C 127 173.073 173.626 -0.553 1
1 260 . 1 1 1 A 65 65 THR CA C 127 60.646 62.289 -1.643 1
1 261 . 1 1 1 A 65 65 THR CB C 127 68.378 69.360 -0.982 1
1 262 . 1 1 1 A 65 65 THR N N 127 102.681 107.411 -4.730 1
1 263 . 1 1 1 A 66 66 ILE H H 128 7.257 7.563 -0.306 1
1 264 . 1 1 1 A 66 66 ILE C C 128 171.001 174.765 -3.764 1
1 265 . 1 1 1 A 66 66 ILE CA C 128 61.094 60.728 0.366 1
1 266 . 1 1 1 A 66 66 ILE CB C 128 36.325 39.007 -2.682 1
1 267 . 1 1 1 A 66 66 ILE N N 128 126.272 123.370 2.902 1
1 268 . 1 1 1 A 67 67 LEU H H 129 7.740 8.430 -0.690 1
1 269 . 1 1 1 A 67 67 LEU CA C 129 51.017 51.484 -0.467 1
1 270 . 1 1 1 A 67 67 LEU CB C 129 42.844 44.884 -2.040 1
1 271 . 1 1 1 A 67 67 LEU N N 129 125.871 128.471 -2.600 1
1 272 . 1 1 1 A 68 68 PRO C C 130 174.642 177.175 -2.533 1
1 273 . 1 1 1 A 68 68 PRO CA C 130 61.840 62.690 -0.850 1
1 274 . 1 1 1 A 68 68 PRO CB C 130 31.374 32.164 -0.790 1
1 275 . 1 1 1 A 69 69 ASN H H 131 7.985 8.460 -0.475 1
1 276 . 1 1 1 A 69 69 ASN CA C 131 52.761 51.839 0.922 1
1 277 . 1 1 1 A 69 69 ASN CB C 131 35.164 37.644 -2.480 1
1 278 . 1 1 1 A 69 69 ASN N N 131 121.613 120.072 1.541 1
1 279 . 1 1 1 A 70 70 PRO C C 132 177.432 178.920 -1.488 1
1 280 . 1 1 1 A 70 70 PRO CA C 132 65.760 65.457 0.303 1
1 281 . 1 1 1 A 70 70 PRO CB C 132 31.171 31.902 -0.731 1
1 282 . 1 1 1 A 71 71 GLN H H 133 8.831 8.804 0.027 1
1 283 . 1 1 1 A 71 71 GLN C C 133 174.658 177.482 -2.824 1
1 284 . 1 1 1 A 71 71 GLN CA C 133 58.355 58.764 -0.409 1
1 285 . 1 1 1 A 71 71 GLN CB C 133 26.645 27.989 -1.344 1
1 286 . 1 1 1 A 71 71 GLN N N 133 116.251 118.130 -1.879 1
1 287 . 1 1 1 A 72 72 SER H H 134 7.264 7.877 -0.613 1
1 288 . 1 1 1 A 72 72 SER C C 134 172.410 174.538 -2.128 1
1 289 . 1 1 1 A 72 72 SER CA C 134 55.966 58.044 -2.078 1
1 290 . 1 1 1 A 72 72 SER CB C 134 63.814 64.184 -0.370 1
1 291 . 1 1 1 A 72 72 SER N N 134 108.721 109.896 -1.175 1
1 292 . 1 1 1 A 73 73 ARG H H 135 7.077 7.618 -0.541 1
1 293 . 1 1 1 A 73 73 ARG C C 135 172.924 176.238 -3.314 1
1 294 . 1 1 1 A 73 73 ARG CA C 135 56.421 56.770 -0.349 1
1 295 . 1 1 1 A 73 73 ARG CB C 135 30.003 30.657 -0.654 1
1 296 . 1 1 1 A 73 73 ARG N N 135 125.003 123.436 1.567 1
1 297 . 1 1 1 A 74 74 VAL H H 136 6.924 8.712 -1.788 1
1 298 . 1 1 1 A 74 74 VAL C C 136 173.271 175.413 -2.142 1
1 299 . 1 1 1 A 74 74 VAL CA C 136 61.782 62.050 -0.268 1
1 300 . 1 1 1 A 74 74 VAL CB C 136 30.588 32.063 -1.475 1
1 301 . 1 1 1 A 74 74 VAL N N 136 123.407 124.814 -1.407 1
1 302 . 1 1 1 A 75 75 CYS H H 137 8.639 8.749 -0.110 1
1 303 . 1 1 1 A 75 75 CYS C C 137 173.923 174.755 -0.832 1
1 304 . 1 1 1 A 75 75 CYS CA C 137 57.592 57.147 0.445 1
1 305 . 1 1 1 A 75 75 CYS CB C 137 28.276 29.068 -0.792 1
1 306 . 1 1 1 A 75 75 CYS N N 137 127.615 125.072 2.543 1
1 307 . 1 1 1 A 76 76 LEU H H 138 9.180 8.756 0.424 1
1 308 . 1 1 1 A 76 76 LEU C C 138 175.252 177.702 -2.450 1
1 309 . 1 1 1 A 76 76 LEU CA C 138 54.151 55.090 -0.939 1
1 310 . 1 1 1 A 76 76 LEU CB C 138 39.336 40.809 -1.473 1
1 311 . 1 1 1 A 76 76 LEU N N 138 127.285 126.287 0.998 1
1 360 . 1 1 1 A 87 87 TYR H H 149 7.460 8.161 -0.701 1
1 361 . 1 1 1 A 87 87 TYR C C 149 173.865 174.474 -0.609 1
1 362 . 1 1 1 A 87 87 TYR CA C 149 60.610 56.681 3.929 1
1 363 . 1 1 1 A 87 87 TYR CB C 149 40.337 42.001 -1.664 1
1 364 . 1 1 1 A 87 87 TYR N N 149 119.633 118.947 0.686 1
1 365 . 1 1 1 A 88 88 ILE H H 150 7.999 8.699 -0.700 1
1 366 . 1 1 1 A 88 88 ILE C C 150 171.018 173.213 -2.195 1
1 367 . 1 1 1 A 88 88 ILE CA C 150 59.444 59.298 0.146 1
1 368 . 1 1 1 A 88 88 ILE CB C 150 40.788 41.901 -1.113 1
1 369 . 1 1 1 A 88 88 ILE N N 150 125.330 126.490 -1.160 1
1 370 . 1 1 1 A 89 89 ASN H H 151 8.074 8.703 -0.629 1
1 371 . 1 1 1 A 89 89 ASN C C 151 171.952 173.619 -1.667 1
1 372 . 1 1 1 A 89 89 ASN CA C 151 52.519 52.569 -0.050 1
1 373 . 1 1 1 A 89 89 ASN CB C 151 35.232 36.849 -1.617 1
1 374 . 1 1 1 A 89 89 ASN N N 151 126.482 127.147 -0.665 1
1 375 . 1 1 1 A 90 90 ALA H H 152 7.502 8.091 -0.589 1
1 376 . 1 1 1 A 90 90 ALA C C 152 173.338 174.980 -1.642 1
1 377 . 1 1 1 A 90 90 ALA CA C 152 51.186 51.413 -0.227 1
1 378 . 1 1 1 A 90 90 ALA CB C 152 21.738 23.279 -1.541 1
1 379 . 1 1 1 A 90 90 ALA N N 152 128.611 127.812 0.799 1
1 380 . 1 1 1 A 91 91 ASN H H 153 8.460 8.520 -0.060 1
1 381 . 1 1 1 A 91 91 ASN C C 153 172.787 174.412 -1.625 1
1 382 . 1 1 1 A 91 91 ASN CA C 153 53.731 51.728 2.003 1
1 383 . 1 1 1 A 91 91 ASN CB C 153 44.936 42.695 2.241 1
1 384 . 1 1 1 A 91 91 ASN N N 153 116.107 117.185 -1.078 1
1 385 . 1 1 1 A 92 92 TYR H H 154 8.859 8.563 0.296 1
1 386 . 1 1 1 A 92 92 TYR C C 154 174.328 176.327 -1.999 1
1 387 . 1 1 1 A 92 92 TYR CA C 154 58.306 59.528 -1.222 1
1 388 . 1 1 1 A 92 92 TYR CB C 154 39.477 39.436 0.041 1
1 389 . 1 1 1 A 92 92 TYR N N 154 120.893 121.147 -0.254 1
1 390 . 1 1 1 A 93 93 ILE H H 155 9.096 8.650 0.446 1
1 391 . 1 1 1 A 93 93 ILE C C 155 174.731 175.218 -0.487 1
1 392 . 1 1 1 A 93 93 ILE CA C 155 57.217 60.019 -2.802 1
1 393 . 1 1 1 A 93 93 ILE CB C 155 37.494 41.915 -4.421 1
1 394 . 1 1 1 A 93 93 ILE N N 155 124.683 122.162 2.521 1
1 395 . 1 1 1 A 94 94 ARG H H 156 8.610 8.431 0.179 1
1 396 . 1 1 1 A 94 94 ARG C C 156 175.937 176.161 -0.224 1
1 397 . 1 1 1 A 94 94 ARG CA C 156 55.883 56.056 -0.173 1
1 398 . 1 1 1 A 94 94 ARG CB C 156 30.429 31.210 -0.781 1
1 399 . 1 1 1 A 94 94 ARG N N 156 126.844 127.168 -0.324 1
1 400 . 1 1 1 A 95 95 GLY H H 157 8.881 8.201 0.680 1
1 401 . 1 1 1 A 95 95 GLY CA C 157 42.805 44.344 -1.539 1
1 402 . 1 1 1 A 95 95 GLY N N 157 104.876 107.863 -2.987 1
1 403 . 1 1 1 A 96 96 TYR H H 158 7.181 8.311 -1.130 1
1 404 . 1 1 1 A 96 96 TYR C C 158 174.672 175.992 -1.320 1
1 405 . 1 1 1 A 96 96 TYR CA C 158 56.597 59.591 -2.994 1
1 406 . 1 1 1 A 96 96 TYR N N 158 124.602 121.233 3.369 1
1 407 . 1 1 1 A 97 97 ASP H H 159 8.358 9.478 -1.120 1
1 408 . 1 1 1 A 97 97 ASP C C 159 174.418 176.055 -1.637 1
1 409 . 1 1 1 A 97 97 ASP CA C 159 54.029 55.043 -1.014 1
1 410 . 1 1 1 A 97 97 ASP N N 159 122.056 126.909 -4.853 1
1 411 . 1 1 1 A 98 98 GLY H H 160 7.929 8.363 -0.434 1
1 412 . 1 1 1 A 98 98 GLY C C 160 172.339 174.439 -2.100 1
1 413 . 1 1 1 A 98 98 GLY CA C 160 45.233 45.072 0.161 1
1 414 . 1 1 1 A 98 98 GLY N N 160 105.215 105.199 0.016 1
1 415 . 1 1 1 A 99 99 LYS H H 161 6.653 8.006 -1.353 1
1 416 . 1 1 1 A 99 99 LYS C C 161 174.730 176.222 -1.492 1
1 417 . 1 1 1 A 99 99 LYS CA C 161 56.851 56.705 0.146 1
1 418 . 1 1 1 A 99 99 LYS CB C 161 31.657 33.308 -1.651 1
1 419 . 1 1 1 A 99 99 LYS N N 161 121.645 122.592 -0.947 1
1 420 . 1 1 1 A 100 100 GLU H H 162 8.484 8.755 -0.271 1
1 421 . 1 1 1 A 100 100 GLU C C 162 175.136 176.717 -1.581 1
1 422 . 1 1 1 A 100 100 GLU CA C 162 57.166 56.543 0.623 1
1 423 . 1 1 1 A 100 100 GLU CB C 162 29.692 30.161 -0.469 1
1 424 . 1 1 1 A 100 100 GLU N N 162 124.278 125.816 -1.538 1
1 425 . 1 1 1 A 101 101 LYS H H 163 9.273 8.861 0.412 1
1 426 . 1 1 1 A 101 101 LYS C C 163 172.951 176.159 -3.208 1
1 427 . 1 1 1 A 101 101 LYS CA C 163 57.443 57.104 0.339 1
1 428 . 1 1 1 A 101 101 LYS CB C 163 29.756 28.941 0.815 1
1 429 . 1 1 1 A 101 101 LYS N N 163 114.180 116.634 -2.454 1
1 430 . 1 1 1 A 102 102 VAL H H 164 7.169 7.798 -0.629 1
1 431 . 1 1 1 A 102 102 VAL C C 164 175.322 174.977 0.345 1
1 432 . 1 1 1 A 102 102 VAL CA C 164 64.696 65.231 -0.535 1
1 433 . 1 1 1 A 102 102 VAL CB C 164 31.062 31.380 -0.318 1
1 434 . 1 1 1 A 102 102 VAL N N 164 118.157 118.155 0.002 1
1 435 . 1 1 1 A 103 103 TYR H H 165 8.189 7.720 0.469 1
1 436 . 1 1 1 A 103 103 TYR C C 165 173.795 174.439 -0.644 1
1 437 . 1 1 1 A 103 103 TYR CA C 165 53.574 56.248 -2.674 1
1 438 . 1 1 1 A 103 103 TYR CB C 165 40.513 42.463 -1.950 1
1 439 . 1 1 1 A 103 103 TYR N N 165 114.441 116.752 -2.311 1
1 440 . 1 1 1 A 104 104 ILE H H 166 8.875 9.008 -0.133 1
1 441 . 1 1 1 A 104 104 ILE C C 166 172.752 174.508 -1.756 1
1 442 . 1 1 1 A 104 104 ILE CA C 166 60.717 60.388 0.329 1
1 443 . 1 1 1 A 104 104 ILE CB C 166 41.704 39.827 1.877 1
1 444 . 1 1 1 A 104 104 ILE N N 166 121.657 122.116 -0.459 1
1 445 . 1 1 1 A 105 105 ALA H H 167 8.398 8.993 -0.595 1
1 446 . 1 1 1 A 105 105 ALA C C 167 174.640 176.275 -1.635 1
1 447 . 1 1 1 A 105 105 ALA CA C 167 49.392 50.316 -0.924 1
1 448 . 1 1 1 A 105 105 ALA CB C 167 20.947 21.734 -0.787 1
1 449 . 1 1 1 A 105 105 ALA N N 167 128.688 131.387 -2.699 1
1 450 . 1 1 1 A 106 106 THR H H 168 8.310 8.865 -0.555 1
1 451 . 1 1 1 A 106 106 THR C C 168 168.818 172.493 -3.675 1
1 452 . 1 1 1 A 106 106 THR CA C 168 57.884 60.298 -2.414 1
1 453 . 1 1 1 A 106 106 THR CB C 168 70.775 71.057 -0.282 1
1 454 . 1 1 1 A 106 106 THR N N 168 115.632 115.169 0.463 1
1 455 . 1 1 1 A 107 107 GLN H H 169 6.577 7.430 -0.853 1
1 456 . 1 1 1 A 107 107 GLN C C 169 174.376 175.601 -1.225 1
1 457 . 1 1 1 A 107 107 GLN CA C 169 52.449 53.458 -1.009 1
1 458 . 1 1 1 A 107 107 GLN CB C 169 27.798 28.821 -1.023 1
1 459 . 1 1 1 A 107 107 GLN N N 169 117.633 118.979 -1.346 1
1 460 . 1 1 1 A 108 108 GLY H H 170 8.628 8.736 -0.108 1
1 461 . 1 1 1 A 108 108 GLY CA C 170 44.290 45.035 -0.745 1
1 462 . 1 1 1 A 108 108 GLY N N 170 110.908 110.885 0.023 1
1 463 . 1 1 1 A 109 109 PRO C C 171 173.382 176.365 -2.983 1
1 464 . 1 1 1 A 109 109 PRO CA C 171 63.571 62.917 0.654 1
1 465 . 1 1 1 A 109 109 PRO CB C 171 30.912 31.941 -1.029 1
1 466 . 1 1 1 A 110 110 MET H H 172 8.068 8.465 -0.397 1
1 467 . 1 1 1 A 110 110 MET CA C 172 53.573 53.860 -0.287 1
1 468 . 1 1 1 A 110 110 MET CB C 172 33.670 32.639 1.031 1
1 469 . 1 1 1 A 110 110 MET N N 172 121.936 121.436 0.500 1
1 470 . 1 1 1 A 111 111 PRO C C 173 175.827 177.062 -1.235 1
1 471 . 1 1 1 A 111 111 PRO CA C 173 66.239 64.995 1.244 1
1 472 . 1 1 1 A 111 111 PRO CB C 173 30.913 31.771 -0.858 1
1 473 . 1 1 1 A 112 112 ASN H H 174 8.606 8.772 -0.166 1
1 474 . 1 1 1 A 112 112 ASN C C 174 174.208 176.439 -2.231 1
1 475 . 1 1 1 A 112 112 ASN CA C 174 53.442 53.665 -0.223 1
1 476 . 1 1 1 A 112 112 ASN CB C 174 36.332 37.808 -1.476 1
1 477 . 1 1 1 A 112 112 ASN N N 174 107.902 112.461 -4.559 1
1 478 . 1 1 1 A 113 113 THR H H 175 8.255 7.774 0.481 1
1 479 . 1 1 1 A 113 113 THR C C 175 172.489 175.624 -3.135 1
1 480 . 1 1 1 A 113 113 THR CA C 175 60.503 61.700 -1.197 1
1 481 . 1 1 1 A 113 113 THR CB C 175 69.256 69.543 -0.287 1
1 482 . 1 1 1 A 113 113 THR N N 175 111.022 111.286 -0.264 1
1 483 . 1 1 1 A 114 114 VAL H H 176 7.106 7.540 -0.434 1
1 484 . 1 1 1 A 114 114 VAL C C 176 175.619 178.046 -2.427 1
1 485 . 1 1 1 A 114 114 VAL CA C 176 67.572 66.861 0.711 1
1 486 . 1 1 1 A 114 114 VAL CB C 176 31.454 31.561 -0.107 1
1 487 . 1 1 1 A 114 114 VAL N N 176 123.952 122.485 1.467 1
1 488 . 1 1 1 A 115 115 SER H H 177 8.316 8.044 0.272 1
1 489 . 1 1 1 A 115 115 SER C C 177 175.355 176.316 -0.961 1
1 490 . 1 1 1 A 115 115 SER CA C 177 62.884 62.426 0.458 1
1 491 . 1 1 1 A 115 115 SER CB C 177 61.726 63.219 -1.493 1
1 492 . 1 1 1 A 115 115 SER N N 177 113.930 115.688 -1.758 1
1 493 . 1 1 1 A 116 116 ASP H H 178 7.405 8.153 -0.748 1
1 494 . 1 1 1 A 116 116 ASP C C 178 174.763 178.831 -4.068 1
1 495 . 1 1 1 A 116 116 ASP CA C 178 57.167 57.376 -0.209 1
1 496 . 1 1 1 A 116 116 ASP CB C 178 40.010 40.277 -0.267 1
1 497 . 1 1 1 A 116 116 ASP N N 178 122.612 122.842 -0.230 1
1 498 . 1 1 1 A 117 117 PHE H H 179 8.224 7.925 0.299 1
1 499 . 1 1 1 A 117 117 PHE C C 179 175.414 176.878 -1.464 1
1 500 . 1 1 1 A 117 117 PHE CA C 179 61.890 61.173 0.717 1
1 501 . 1 1 1 A 117 117 PHE CB C 179 37.541 38.467 -0.926 1
1 502 . 1 1 1 A 117 117 PHE N N 179 120.740 121.794 -1.054 1
1 503 . 1 1 1 A 118 118 TRP H H 180 7.927 7.885 0.042 1
1 504 . 1 1 1 A 118 118 TRP C C 180 178.398 178.282 0.116 1
1 505 . 1 1 1 A 118 118 TRP CA C 180 59.776 60.298 -0.522 1
1 506 . 1 1 1 A 118 118 TRP CB C 180 29.527 29.404 0.123 1
1 507 . 1 1 1 A 118 118 TRP N N 180 119.147 118.649 0.498 1
1 508 . 1 1 1 A 119 119 GLU H H 181 9.243 8.217 1.026 1
1 509 . 1 1 1 A 119 119 GLU C C 181 171.388 178.505 -7.117 1
1 510 . 1 1 1 A 119 119 GLU CA C 181 59.025 59.841 -0.816 1
1 511 . 1 1 1 A 119 119 GLU CB C 181 30.094 29.523 0.571 1
1 512 . 1 1 1 A 119 119 GLU N N 181 121.188 119.266 1.922 1
1 513 . 1 1 1 A 120 120 MET H H 182 9.117 7.939 1.178 1
1 514 . 1 1 1 A 120 120 MET C C 182 172.588 177.904 -5.316 1
1 515 . 1 1 1 A 120 120 MET CA C 182 53.501 58.522 -5.021 1
1 516 . 1 1 1 A 120 120 MET CB C 182 31.186 31.999 -0.813 1
1 517 . 1 1 1 A 120 120 MET N N 182 128.611 119.238 9.373 1
1 518 . 1 1 1 A 121 121 VAL H H 183 8.305 8.151 0.154 1
1 519 . 1 1 1 A 121 121 VAL C C 183 167.922 178.371 -10.449 1
1 520 . 1 1 1 A 121 121 VAL CA C 183 56.223 66.090 -9.867 1
1 521 . 1 1 1 A 121 121 VAL CB C 183 38.350 31.435 6.915 1
1 522 . 1 1 1 A 121 121 VAL N N 183 127.340 118.445 8.895 1
1 523 . 1 1 1 A 122 122 TRP H H 184 6.075 8.083 -2.008 1
1 524 . 1 1 1 A 122 122 TRP C C 184 175.544 178.262 -2.718 1
1 525 . 1 1 1 A 122 122 TRP CA C 184 53.572 60.707 -7.135 1
1 526 . 1 1 1 A 122 122 TRP CB C 184 28.986 29.593 -0.607 1
1 527 . 1 1 1 A 122 122 TRP N N 184 118.525 121.458 -2.933 1
1 528 . 1 1 1 A 123 123 GLN H H 185 9.104 8.542 0.562 1
1 529 . 1 1 1 A 123 123 GLN N N 185 115.652 117.779 -2.127 1
1 530 . 1 1 1 A 126 126 VAL C C 188 174.435 176.674 -2.239 1
1 531 . 1 1 1 A 126 126 VAL CA C 188 62.970 63.735 -0.765 1
1 532 . 1 1 1 A 126 126 VAL CB C 188 32.162 31.888 0.274 1
1 533 . 1 1 1 A 127 127 SER H H 189 9.612 8.969 0.643 1
1 534 . 1 1 1 A 127 127 SER C C 189 172.085 174.188 -2.103 1
1 535 . 1 1 1 A 127 127 SER CA C 189 58.306 57.411 0.895 1
1 536 . 1 1 1 A 127 127 SER CB C 189 65.320 64.392 0.928 1
1 537 . 1 1 1 A 127 127 SER N N 189 121.082 119.494 1.588 1
1 538 . 1 1 1 A 128 128 LEU H H 190 8.087 7.464 0.623 1
1 539 . 1 1 1 A 128 128 LEU CA C 190 54.632 54.540 0.092 1
1 540 . 1 1 1 A 128 128 LEU CB C 190 44.771 45.807 -1.036 1
1 541 . 1 1 1 A 128 128 LEU N N 190 130.076 122.284 7.792 1
1 542 . 1 1 1 A 131 131 MET C C 193 173.786 174.315 -0.529 1
1 543 . 1 1 1 A 131 131 MET CA C 193 53.879 53.804 0.075 1
1 544 . 1 1 1 A 131 131 MET CB C 193 32.709 35.404 -2.695 1
1 545 . 1 1 1 A 132 132 LEU H H 194 8.050 9.153 -1.103 1
1 546 . 1 1 1 A 132 132 LEU C C 194 173.695 175.673 -1.978 1
1 547 . 1 1 1 A 132 132 LEU CA C 194 54.069 53.191 0.878 1
1 548 . 1 1 1 A 132 132 LEU CB C 194 42.104 42.742 -0.638 1
1 549 . 1 1 1 A 132 132 LEU N N 194 124.788 128.053 -3.265 1
1 550 . 1 1 1 A 133 133 THR H H 195 7.263 8.795 -1.532 1
1 551 . 1 1 1 A 133 133 THR C C 195 169.890 171.881 -1.991 1
1 552 . 1 1 1 A 133 133 THR CA C 195 59.711 59.875 -0.164 1
1 553 . 1 1 1 A 133 133 THR CB C 195 70.606 70.314 0.292 1
1 554 . 1 1 1 A 133 133 THR N N 195 113.135 117.732 -4.597 1
1 555 . 1 1 1 A 134 134 GLN H H 196 8.472 8.686 -0.214 1
1 556 . 1 1 1 A 134 134 GLN C C 196 175.861 174.979 0.882 1
1 557 . 1 1 1 A 134 134 GLN CA C 196 54.700 54.452 0.248 1
1 558 . 1 1 1 A 134 134 GLN CB C 196 30.622 32.586 -1.964 1
1 559 . 1 1 1 A 134 134 GLN N N 196 118.042 123.818 -5.776 1
1 560 . 1 1 1 A 135 135 LEU H H 197 8.684 8.425 0.259 1
1 561 . 1 1 1 A 135 135 LEU C C 197 176.874 177.098 -0.224 1
1 562 . 1 1 1 A 135 135 LEU CA C 197 57.193 55.082 2.111 1
1 563 . 1 1 1 A 135 135 LEU CB C 197 40.209 42.819 -2.610 1
1 564 . 1 1 1 A 135 135 LEU N N 197 123.814 127.381 -3.567 1
1 598 . 1 1 1 A 144 144 HIS H H 206 9.181 8.901 0.280 1
1 599 . 1 1 1 A 144 144 HIS C C 206 172.787 175.015 -2.228 1
1 600 . 1 1 1 A 144 144 HIS CA C 206 54.956 54.995 -0.039 1
1 601 . 1 1 1 A 144 144 HIS CB C 206 34.986 29.171 5.815 1
1 602 . 1 1 1 A 144 144 HIS N N 206 126.444 124.634 1.810 1
1 603 . 1 1 1 A 145 145 TYR H H 207 6.170 8.352 -2.182 1
1 604 . 1 1 1 A 145 145 TYR C C 207 172.399 174.105 -1.706 1
1 605 . 1 1 1 A 145 145 TYR CA C 207 56.177 57.601 -1.424 1
1 606 . 1 1 1 A 145 145 TYR CB C 207 38.335 39.192 -0.857 1
1 607 . 1 1 1 A 145 145 TYR N N 207 120.897 120.336 0.561 1
1 608 . 1 1 1 A 146 146 TRP H H 208 8.635 7.386 1.249 1
1 609 . 1 1 1 A 146 146 TRP CA C 208 57.464 55.163 2.301 1
1 610 . 1 1 1 A 146 146 TRP CB C 208 24.743 31.355 -6.612 1
1 611 . 1 1 1 A 146 146 TRP N N 208 124.458 118.091 6.367 1
1 612 . 1 1 1 A 147 147 PRO C C 209 174.974 176.719 -1.745 1
1 613 . 1 1 1 A 147 147 PRO CA C 209 61.916 62.130 -0.214 1
1 614 . 1 1 1 A 147 147 PRO CB C 209 32.078 33.344 -1.266 1
1 615 . 1 1 1 A 148 148 THR H H 210 8.228 8.515 -0.287 1
1 616 . 1 1 1 A 148 148 THR C C 210 173.928 175.182 -1.254 1
1 617 . 1 1 1 A 148 148 THR CA C 210 64.719 64.979 -0.260 1
1 618 . 1 1 1 A 148 148 THR CB C 210 68.071 68.788 -0.717 1
1 619 . 1 1 1 A 148 148 THR N N 210 113.285 115.723 -2.438 1
1 620 . 1 1 1 A 149 149 GLU H H 211 7.992 8.253 -0.261 1
1 621 . 1 1 1 A 149 149 GLU C C 211 171.738 175.826 -4.088 1
1 622 . 1 1 1 A 149 149 GLU CA C 211 58.721 58.057 0.664 1
1 623 . 1 1 1 A 149 149 GLU CB C 211 31.002 32.554 -1.552 1
1 624 . 1 1 1 A 149 149 GLU N N 211 121.345 119.264 2.081 1
1 625 . 1 1 1 A 150 150 GLU H H 212 7.928 8.079 -0.151 1
1 626 . 1 1 1 A 150 150 GLU C C 212 172.706 174.668 -1.962 1
1 627 . 1 1 1 A 150 150 GLU CA C 212 55.011 55.145 -0.134 1
1 628 . 1 1 1 A 150 150 GLU CB C 212 31.335 33.315 -1.980 1
1 629 . 1 1 1 A 150 150 GLU N N 212 119.286 115.078 4.208 1
1 630 . 1 1 1 A 151 151 GLU H H 213 8.691 8.792 -0.101 1
1 631 . 1 1 1 A 151 151 GLU C C 213 175.862 173.729 2.133 1
1 632 . 1 1 1 A 151 151 GLU CA C 213 54.897 54.939 -0.042 1
1 633 . 1 1 1 A 151 151 GLU CB C 213 33.246 32.711 0.535 1
1 634 . 1 1 1 A 151 151 GLU N N 213 123.939 118.569 5.370 1
1 635 . 1 1 1 A 152 152 THR H H 214 8.497 8.626 -0.129 1
1 636 . 1 1 1 A 152 152 THR C C 214 172.122 173.321 -1.199 1
1 637 . 1 1 1 A 152 152 THR CA C 214 60.949 60.058 0.891 1
1 638 . 1 1 1 A 152 152 THR CB C 214 69.769 70.429 -0.660 1
1 639 . 1 1 1 A 152 152 THR N N 214 118.914 111.989 6.925 1
1 640 . 1 1 1 A 153 153 TYR H H 215 8.882 8.783 0.099 1
1 641 . 1 1 1 A 153 153 TYR C C 215 173.997 175.966 -1.969 1
1 642 . 1 1 1 A 153 153 TYR CA C 215 55.457 56.413 -0.956 1
1 643 . 1 1 1 A 153 153 TYR CB C 215 39.231 40.524 -1.293 1
1 644 . 1 1 1 A 153 153 TYR N N 215 126.779 121.757 5.022 1
1 645 . 1 1 1 A 154 154 GLY H H 216 8.857 8.911 -0.054 1
1 646 . 1 1 1 A 154 154 GLY CA C 216 44.399 46.106 -1.707 1
1 647 . 1 1 1 A 154 154 GLY N N 216 115.714 115.202 0.512 1
1 648 . 1 1 1 A 155 155 PRO C C 217 176.966 175.887 1.079 1
1 649 . 1 1 1 A 155 155 PRO CA C 217 65.525 63.339 2.186 1
1 650 . 1 1 1 A 155 155 PRO CB C 217 31.770 32.210 -0.440 1
1 651 . 1 1 1 A 156 156 PHE H H 218 7.280 7.224 0.056 1
1 652 . 1 1 1 A 156 156 PHE C C 218 173.247 174.484 -1.237 1
1 653 . 1 1 1 A 156 156 PHE CA C 218 57.126 57.107 0.019 1
1 654 . 1 1 1 A 156 156 PHE CB C 218 40.434 41.572 -1.138 1
1 655 . 1 1 1 A 156 156 PHE N N 218 117.731 119.727 -1.996 1
1 656 . 1 1 1 A 157 157 GLN H H 219 8.539 8.918 -0.379 1
1 657 . 1 1 1 A 157 157 GLN C C 219 173.982 174.607 -0.625 1
1 658 . 1 1 1 A 157 157 GLN CA C 219 54.943 54.277 0.666 1
1 659 . 1 1 1 A 157 157 GLN CB C 219 30.203 31.200 -0.997 1
1 660 . 1 1 1 A 157 157 GLN N N 219 122.177 123.381 -1.204 1
1 661 . 1 1 1 A 158 158 ILE H H 220 9.005 9.060 -0.055 1
1 662 . 1 1 1 A 158 158 ILE C C 220 172.282 175.348 -3.066 1
1 663 . 1 1 1 A 158 158 ILE CA C 220 59.443 59.722 -0.279 1
1 664 . 1 1 1 A 158 158 ILE CB C 220 38.416 40.325 -1.909 1
1 665 . 1 1 1 A 158 158 ILE N N 220 127.461 126.711 0.750 1
1 666 . 1 1 1 A 159 159 ARG H H 221 8.566 8.940 -0.374 1
1 667 . 1 1 1 A 159 159 ARG C C 221 173.861 174.372 -0.511 1
1 668 . 1 1 1 A 159 159 ARG CA C 221 53.502 54.485 -0.983 1
1 669 . 1 1 1 A 159 159 ARG CB C 221 33.856 33.736 0.120 1
1 670 . 1 1 1 A 159 159 ARG N N 221 125.309 125.466 -0.157 1
1 671 . 1 1 1 A 160 160 ILE H H 222 8.221 8.783 -0.562 1
1 672 . 1 1 1 A 160 160 ILE C C 222 173.688 175.065 -1.377 1
1 673 . 1 1 1 A 160 160 ILE CA C 222 59.425 60.978 -1.553 1
1 674 . 1 1 1 A 160 160 ILE CB C 222 36.653 39.429 -2.776 1
1 675 . 1 1 1 A 160 160 ILE N N 222 122.230 126.284 -4.054 1
1 676 . 1 1 1 A 161 161 GLN H H 223 9.375 8.773 0.602 1
1 677 . 1 1 1 A 161 161 GLN C C 223 174.670 175.442 -0.772 1
1 678 . 1 1 1 A 161 161 GLN CA C 223 56.177 57.192 -1.015 1
1 679 . 1 1 1 A 161 161 GLN CB C 223 29.481 30.741 -1.260 1
1 680 . 1 1 1 A 161 161 GLN N N 223 128.006 125.560 2.446 1
1 681 . 1 1 1 A 162 162 ASP H H 224 8.357 7.745 0.612 1
1 682 . 1 1 1 A 162 162 ASP C C 224 172.459 173.531 -1.072 1
1 683 . 1 1 1 A 162 162 ASP CA C 224 59.717 54.092 5.625 1
1 684 . 1 1 1 A 162 162 ASP N N 224 122.544 117.584 4.960 1
1 685 . 1 1 1 A 163 163 MET H H 225 8.489 8.776 -0.287 1
1 686 . 1 1 1 A 163 163 MET C C 225 170.593 174.400 -3.807 1
1 687 . 1 1 1 A 163 163 MET CA C 225 54.639 54.404 0.235 1
1 688 . 1 1 1 A 163 163 MET CB C 225 34.238 35.646 -1.408 1
1 689 . 1 1 1 A 163 163 MET N N 225 119.861 123.912 -4.051 1
1 690 . 1 1 1 A 164 164 LYS H H 226 6.597 8.869 -2.272 1
1 691 . 1 1 1 A 164 164 LYS C C 226 174.530 175.115 -0.585 1
1 692 . 1 1 1 A 164 164 LYS CA C 226 56.753 54.439 2.314 1
1 693 . 1 1 1 A 164 164 LYS CB C 226 29.047 35.209 -6.162 1
1 694 . 1 1 1 A 164 164 LYS N N 226 118.278 125.968 -7.690 1
1 695 . 1 1 1 A 165 165 GLU H H 227 7.914 8.941 -1.027 1
1 696 . 1 1 1 A 165 165 GLU C C 227 174.671 176.126 -1.455 1
1 697 . 1 1 1 A 165 165 GLU CA C 227 56.665 55.839 0.826 1
1 698 . 1 1 1 A 165 165 GLU CB C 227 29.622 30.692 -1.070 1
1 699 . 1 1 1 A 165 165 GLU N N 227 121.425 125.671 -4.246 1
1 700 . 1 1 1 A 166 166 CYS H H 228 8.358 8.735 -0.377 1
1 701 . 1 1 1 A 166 166 CYS CA C 228 53.796 56.659 -2.863 1
1 702 . 1 1 1 A 166 166 CYS CB C 228 29.194 30.410 -1.216 1
1 703 . 1 1 1 A 166 166 CYS N N 228 123.018 123.206 -0.188 1
1 704 . 1 1 1 A 167 167 PRO C C 229 176.484 176.919 -0.435 1
1 705 . 1 1 1 A 167 167 PRO CA C 229 65.864 63.742 2.122 1
1 706 . 1 1 1 A 167 167 PRO CB C 229 30.978 31.286 -0.308 1
1 707 . 1 1 1 A 168 168 GLU H H 230 7.901 8.677 -0.776 1
1 708 . 1 1 1 A 168 168 GLU C C 230 173.354 174.758 -1.404 1
1 709 . 1 1 1 A 168 168 GLU CA C 230 56.516 58.498 -1.982 1
1 710 . 1 1 1 A 168 168 GLU CB C 230 29.985 27.653 2.332 1
1 711 . 1 1 1 A 168 168 GLU N N 230 111.602 116.375 -4.773 1
1 712 . 1 1 1 A 169 169 TYR H H 231 6.748 7.460 -0.712 1
1 713 . 1 1 1 A 169 169 TYR C C 231 172.021 172.962 -0.941 1
1 714 . 1 1 1 A 169 169 TYR CA C 231 55.837 56.059 -0.222 1
1 715 . 1 1 1 A 169 169 TYR CB C 231 39.697 42.182 -2.485 1
1 716 . 1 1 1 A 169 169 TYR N N 231 112.114 117.440 -5.326 1
1 717 . 1 1 1 A 170 170 THR H H 232 8.731 8.763 -0.032 1
1 718 . 1 1 1 A 170 170 THR C C 232 173.120 173.615 -0.495 1
1 719 . 1 1 1 A 170 170 THR CA C 232 61.414 61.588 -0.174 1
1 720 . 1 1 1 A 170 170 THR CB C 232 70.929 70.323 0.606 1
1 721 . 1 1 1 A 170 170 THR N N 232 115.739 116.389 -0.650 1
1 722 . 1 1 1 A 171 171 VAL H H 233 7.872 9.182 -1.310 1
1 723 . 1 1 1 A 171 171 VAL C C 233 176.362 175.118 1.244 1
1 724 . 1 1 1 A 171 171 VAL CA C 233 59.615 61.564 -1.949 1
1 725 . 1 1 1 A 171 171 VAL CB C 233 29.087 32.594 -3.507 1
1 726 . 1 1 1 A 171 171 VAL N N 233 118.361 128.163 -9.802 1
1 727 . 1 1 1 A 172 172 ARG H H 234 8.622 8.953 -0.331 1
1 728 . 1 1 1 A 172 172 ARG C C 234 171.335 174.587 -3.252 1
1 729 . 1 1 1 A 172 172 ARG CA C 234 59.696 54.915 4.781 1
1 730 . 1 1 1 A 172 172 ARG CB C 234 28.299 31.609 -3.310 1
1 731 . 1 1 1 A 172 172 ARG N N 234 120.570 127.817 -7.247 1
1 732 . 1 1 1 A 173 173 GLN H H 235 7.540 8.935 -1.395 1
1 733 . 1 1 1 A 173 173 GLN CA C 235 60.642 55.187 5.455 1
1 734 . 1 1 1 A 173 173 GLN CB C 235 32.272 30.005 2.267 1
1 735 . 1 1 1 A 173 173 GLN N N 235 121.474 125.047 -3.573 1
1 736 . 1 1 1 A 179 179 GLN C C 241 174.662 175.418 -0.756 1
1 737 . 1 1 1 A 179 179 GLN CA C 241 57.689 57.850 -0.161 1
1 738 . 1 1 1 A 180 180 GLU H H 242 8.368 8.540 -0.172 1
1 739 . 1 1 1 A 180 180 GLU C C 242 174.259 174.758 -0.499 1
1 740 . 1 1 1 A 180 180 GLU CA C 242 56.410 56.193 0.217 1
1 741 . 1 1 1 A 180 180 GLU CB C 242 28.758 30.072 -1.314 1
1 742 . 1 1 1 A 180 180 GLU N N 242 120.562 123.426 -2.864 1
1 743 . 1 1 1 A 181 181 GLU H H 243 8.396 7.832 0.564 1
1 744 . 1 1 1 A 181 181 GLU C C 243 172.911 175.094 -2.183 1
1 745 . 1 1 1 A 181 181 GLU CA C 243 56.112 55.111 1.001 1
1 746 . 1 1 1 A 181 181 GLU CB C 243 31.182 34.588 -3.406 1
1 747 . 1 1 1 A 181 181 GLU N N 243 123.872 117.297 6.575 1
1 748 . 1 1 1 A 182 182 ARG H H 244 8.590 8.771 -0.181 1
1 749 . 1 1 1 A 182 182 ARG C C 244 174.172 174.574 -0.402 1
1 750 . 1 1 1 A 182 182 ARG CA C 244 54.641 54.682 -0.041 1
1 751 . 1 1 1 A 182 182 ARG CB C 244 32.733 33.857 -1.124 1
1 752 . 1 1 1 A 182 182 ARG N N 244 124.517 123.919 0.598 1
1 753 . 1 1 1 A 183 183 ARG H H 245 9.287 8.926 0.361 1
1 754 . 1 1 1 A 183 183 ARG C C 245 173.529 175.498 -1.969 1
1 755 . 1 1 1 A 183 183 ARG CA C 245 54.256 54.267 -0.011 1
1 756 . 1 1 1 A 183 183 ARG CB C 245 34.114 34.002 0.112 1
1 757 . 1 1 1 A 183 183 ARG N N 245 123.507 126.783 -3.276 1
1 758 . 1 1 1 A 184 184 SER H H 246 8.529 8.705 -0.176 1
1 759 . 1 1 1 A 184 184 SER C C 246 172.737 173.866 -1.129 1
1 760 . 1 1 1 A 184 184 SER CA C 246 57.452 56.991 0.461 1
1 761 . 1 1 1 A 184 184 SER CB C 246 64.207 64.530 -0.323 1
1 762 . 1 1 1 A 184 184 SER N N 246 116.905 117.340 -0.435 1
1 763 . 1 1 1 A 185 185 VAL H H 247 8.917 8.844 0.073 1
1 764 . 1 1 1 A 185 185 VAL C C 247 175.524 174.002 1.522 1
1 765 . 1 1 1 A 185 185 VAL CA C 247 62.703 60.870 1.833 1
1 766 . 1 1 1 A 185 185 VAL CB C 247 31.290 35.139 -3.849 1
1 767 . 1 1 1 A 185 185 VAL N N 247 125.809 123.492 2.317 1
1 768 . 1 1 1 A 186 186 LYS H H 248 8.584 8.820 -0.236 1
1 769 . 1 1 1 A 186 186 LYS C C 248 173.571 174.941 -1.370 1
1 770 . 1 1 1 A 186 186 LYS CA C 248 56.633 55.203 1.430 1
1 771 . 1 1 1 A 186 186 LYS CB C 248 29.470 34.001 -4.531 1
1 772 . 1 1 1 A 186 186 LYS N N 248 122.934 127.701 -4.767 1
1 773 . 1 1 1 A 187 187 HIS H H 249 7.816 8.735 -0.919 1
1 774 . 1 1 1 A 187 187 HIS CA C 249 53.293 53.669 -0.376 1
1 775 . 1 1 1 A 187 187 HIS CB C 249 31.148 32.782 -1.634 1
1 776 . 1 1 1 A 187 187 HIS N N 249 120.787 126.624 -5.837 1
1 777 . 1 1 1 A 188 188 ILE C C 250 174.467 173.709 0.758 1
1 778 . 1 1 1 A 188 188 ILE CA C 250 62.555 59.903 2.652 1
1 779 . 1 1 1 A 188 188 ILE CB C 250 31.540 40.458 -8.918 1
1 780 . 1 1 1 A 189 189 LEU H H 251 8.297 8.990 -0.693 1
1 781 . 1 1 1 A 189 189 LEU C C 251 173.497 175.152 -1.655 1
1 782 . 1 1 1 A 189 189 LEU CA C 251 62.414 53.041 9.373 1
1 783 . 1 1 1 A 189 189 LEU CB C 251 40.480 44.279 -3.799 1
1 784 . 1 1 1 A 189 189 LEU N N 251 120.333 129.875 -9.542 1
1 785 . 1 1 1 A 190 190 PHE H H 252 7.702 8.972 -1.270 1
1 786 . 1 1 1 A 190 190 PHE C C 252 172.632 176.119 -3.487 1
1 787 . 1 1 1 A 190 190 PHE CA C 252 56.776 57.214 -0.438 1
1 788 . 1 1 1 A 190 190 PHE CB C 252 40.486 39.510 0.976 1
1 789 . 1 1 1 A 190 190 PHE N N 252 118.483 129.506 -11.023 1
1 790 . 1 1 1 A 191 191 SER H H 253 8.257 8.695 -0.438 1
1 791 . 1 1 1 A 191 191 SER C C 253 172.323 174.712 -2.389 1
1 792 . 1 1 1 A 191 191 SER CA C 253 57.727 57.434 0.293 1
1 793 . 1 1 1 A 191 191 SER CB C 253 63.646 64.186 -0.540 1
1 794 . 1 1 1 A 191 191 SER N N 253 122.170 120.034 2.136 1
1 795 . 1 1 1 A 192 192 ALA H H 254 5.452 7.963 -2.511 1
1 796 . 1 1 1 A 192 192 ALA C C 254 173.857 176.047 -2.190 1
1 797 . 1 1 1 A 192 192 ALA CA C 254 50.609 51.087 -0.478 1
1 798 . 1 1 1 A 192 192 ALA CB C 254 18.872 19.076 -0.204 1
1 799 . 1 1 1 A 192 192 ALA N N 254 121.315 123.522 -2.207 1
1 800 . 1 1 1 A 193 193 TRP H H 255 8.071 7.684 0.387 1
1 801 . 1 1 1 A 193 193 TRP CA C 255 55.653 55.308 0.345 1
1 802 . 1 1 1 A 193 193 TRP CB C 255 28.413 31.350 -2.937 1
1 803 . 1 1 1 A 193 193 TRP N N 255 124.677 121.775 2.902 1
1 804 . 1 1 1 A 194 194 PRO C C 256 171.007 176.603 -5.596 1
1 805 . 1 1 1 A 194 194 PRO CA C 256 60.735 62.941 -2.206 1
1 806 . 1 1 1 A 194 194 PRO CB C 256 33.765 32.073 1.692 1
1 807 . 1 1 1 A 195 195 ASP H H 257 8.606 8.529 0.077 1
1 808 . 1 1 1 A 195 195 ASP C C 257 173.054 176.762 -3.708 1
1 809 . 1 1 1 A 195 195 ASP CA C 257 55.104 54.870 0.234 1
1 810 . 1 1 1 A 195 195 ASP CB C 257 34.953 40.371 -5.418 1
1 811 . 1 1 1 A 195 195 ASP N N 257 129.936 122.628 7.308 1
1 812 . 1 1 1 A 196 196 HIS H H 258 9.018 8.593 0.425 1
1 813 . 1 1 1 A 196 196 HIS C C 258 173.785 173.901 -0.116 1
1 814 . 1 1 1 A 196 196 HIS CA C 258 55.937 57.495 -1.558 1
1 815 . 1 1 1 A 196 196 HIS CB C 258 30.510 27.080 3.430 1
1 816 . 1 1 1 A 196 196 HIS N N 258 127.218 117.435 9.783 1
1 817 . 1 1 1 A 197 197 GLN H H 259 8.174 7.585 0.589 1
1 818 . 1 1 1 A 197 197 GLN C C 259 173.141 174.058 -0.917 1
1 819 . 1 1 1 A 197 197 GLN CA C 259 55.806 54.255 1.551 1
1 820 . 1 1 1 A 197 197 GLN CB C 259 27.624 31.425 -3.801 1
1 821 . 1 1 1 A 197 197 GLN N N 259 124.124 117.257 6.867 1
1 822 . 1 1 1 A 198 198 THR H H 260 7.632 8.794 -1.162 1
1 823 . 1 1 1 A 198 198 THR CA C 260 58.894 58.004 0.890 1
1 824 . 1 1 1 A 198 198 THR CB C 260 68.684 69.857 -1.173 1
1 825 . 1 1 1 A 198 198 THR N N 260 115.135 112.176 2.959 1
1 826 . 1 1 1 A 199 199 PRO C C 261 176.579 176.911 -0.332 1
1 827 . 1 1 1 A 199 199 PRO CA C 261 65.355 62.368 2.987 1
1 828 . 1 1 1 A 200 200 GLU H H 262 8.441 9.120 -0.679 1
1 829 . 1 1 1 A 200 200 GLU C C 262 176.427 176.537 -0.110 1
1 830 . 1 1 1 A 200 200 GLU CA C 262 58.148 58.793 -0.645 1
1 831 . 1 1 1 A 200 200 GLU CB C 262 28.114 31.231 -3.117 1
1 832 . 1 1 1 A 200 200 GLU N N 262 115.763 120.432 -4.669 1
1 833 . 1 1 1 A 201 201 SER H H 263 7.896 7.994 -0.098 1
1 834 . 1 1 1 A 201 201 SER CA C 263 58.992 56.797 2.195 1
1 835 . 1 1 1 A 201 201 SER CB C 263 63.747 66.099 -2.352 1
1 836 . 1 1 1 A 201 201 SER N N 263 115.882 112.390 3.492 1
1 837 . 1 1 1 A 202 202 ALA C C 264 176.476 178.993 -2.517 1
1 838 . 1 1 1 A 202 202 ALA CA C 264 53.495 52.498 0.997 1
1 839 . 1 1 1 A 202 202 ALA CB C 264 20.126 19.781 0.345 1
1 840 . 1 1 1 A 203 203 GLY H H 265 8.037 8.383 -0.346 1
1 841 . 1 1 1 A 203 203 GLY CA C 265 48.105 48.233 -0.128 1
1 842 . 1 1 1 A 203 203 GLY N N 265 105.324 106.571 -1.247 1
1 843 . 1 1 1 A 205 205 LEU C C 267 173.424 178.494 -5.070 1
1 844 . 1 1 1 A 205 205 LEU CA C 267 53.247 57.413 -4.166 1
1 845 . 1 1 1 A 205 205 LEU CB C 267 39.045 41.583 -2.538 1
1 846 . 1 1 1 A 206 206 LEU H H 268 7.488 8.175 -0.687 1
1 847 . 1 1 1 A 206 206 LEU C C 268 179.145 178.976 0.169 1
1 848 . 1 1 1 A 206 206 LEU CA C 268 57.480 57.826 -0.346 1
1 849 . 1 1 1 A 206 206 LEU CB C 268 39.639 41.404 -1.765 1
1 850 . 1 1 1 A 206 206 LEU N N 268 120.281 118.405 1.876 1
1 851 . 1 1 1 A 207 207 ARG H H 269 8.084 8.212 -0.128 1
1 852 . 1 1 1 A 207 207 ARG C C 269 177.396 179.097 -1.701 1
1 853 . 1 1 1 A 207 207 ARG CA C 269 59.488 59.439 0.049 1
1 854 . 1 1 1 A 207 207 ARG CB C 269 29.373 30.201 -0.828 1
1 855 . 1 1 1 A 207 207 ARG N N 269 121.182 119.407 1.775 1
1 856 . 1 1 1 A 208 208 LEU H H 270 7.933 7.650 0.283 1
1 857 . 1 1 1 A 208 208 LEU C C 270 176.542 178.625 -2.083 1
1 858 . 1 1 1 A 208 208 LEU CA C 270 57.524 57.948 -0.424 1
1 859 . 1 1 1 A 208 208 LEU CB C 270 39.505 41.658 -2.153 1
1 860 . 1 1 1 A 208 208 LEU N N 270 123.439 121.810 1.629 1
1 861 . 1 1 1 A 209 209 VAL H H 271 8.026 8.339 -0.313 1
1 862 . 1 1 1 A 209 209 VAL C C 271 176.131 178.294 -2.163 1
1 863 . 1 1 1 A 209 209 VAL CA C 271 67.122 66.517 0.605 1
1 864 . 1 1 1 A 209 209 VAL CB C 271 30.318 31.486 -1.168 1
1 865 . 1 1 1 A 209 209 VAL N N 271 118.746 119.158 -0.412 1
1 866 . 1 1 1 A 210 210 ALA H H 272 7.788 8.125 -0.337 1
1 867 . 1 1 1 A 210 210 ALA C C 272 177.862 180.126 -2.264 1
1 868 . 1 1 1 A 210 210 ALA CA C 272 54.871 55.199 -0.328 1
1 869 . 1 1 1 A 210 210 ALA CB C 272 17.214 18.232 -1.018 1
1 870 . 1 1 1 A 210 210 ALA N N 272 121.364 122.050 -0.686 1
1 871 . 1 1 1 A 211 211 GLU H H 273 7.713 7.957 -0.244 1
1 872 . 1 1 1 A 211 211 GLU C C 273 177.453 178.956 -1.503 1
1 873 . 1 1 1 A 211 211 GLU CA C 273 57.991 58.993 -1.002 1
1 874 . 1 1 1 A 211 211 GLU CB C 273 28.002 29.424 -1.422 1
1 875 . 1 1 1 A 211 211 GLU N N 273 119.757 119.491 0.266 1
1 876 . 1 1 1 A 212 212 VAL H H 274 7.624 7.916 -0.292 1
1 877 . 1 1 1 A 212 212 VAL C C 274 175.829 176.472 -0.643 1
1 878 . 1 1 1 A 212 212 VAL CA C 274 64.975 65.751 -0.776 1
1 879 . 1 1 1 A 212 212 VAL CB C 274 30.491 31.648 -1.157 1
1 880 . 1 1 1 A 212 212 VAL N N 274 117.692 120.081 -2.389 1
1 881 . 1 1 1 A 213 213 GLU H H 275 8.144 7.562 0.582 1
1 882 . 1 1 1 A 213 213 GLU C C 275 176.063 175.280 0.783 1
1 883 . 1 1 1 A 213 213 GLU CA C 275 57.586 56.275 1.311 1
1 884 . 1 1 1 A 213 213 GLU CB C 275 29.148 28.847 0.301 1
1 885 . 1 1 1 A 213 213 GLU N N 275 120.743 117.434 3.309 1
1 927 . 1 1 1 A 224 224 PRO C C 286 177.688 175.713 1.975 1
1 928 . 1 1 1 A 224 224 PRO CA C 286 65.952 62.942 3.010 1
1 929 . 1 1 1 A 224 224 PRO CB C 286 31.043 32.253 -1.210 1
1 930 . 1 1 1 A 225 225 ILE H H 287 7.915 8.410 -0.495 1
1 931 . 1 1 1 A 225 225 ILE C C 287 177.413 175.972 1.441 1
1 932 . 1 1 1 A 225 225 ILE CA C 287 58.385 60.503 -2.118 1
1 933 . 1 1 1 A 225 225 ILE CB C 287 31.446 38.115 -6.669 1
1 934 . 1 1 1 A 225 225 ILE N N 287 117.140 122.669 -5.529 1
1 935 . 1 1 1 A 226 226 VAL H H 288 7.591 8.580 -0.989 1
1 936 . 1 1 1 A 226 226 VAL C C 288 173.850 175.444 -1.594 1
1 937 . 1 1 1 A 226 226 VAL CA C 288 58.540 62.864 -4.324 1
1 938 . 1 1 1 A 226 226 VAL CB C 288 27.725 31.639 -3.914 1
1 939 . 1 1 1 A 226 226 VAL N N 288 120.086 128.089 -8.003 1
1 940 . 1 1 1 A 227 227 VAL H H 289 8.269 8.556 -0.287 1
1 941 . 1 1 1 A 227 227 VAL C C 289 172.919 174.950 -2.031 1
1 942 . 1 1 1 A 227 227 VAL CA C 289 54.483 60.472 -5.989 1
1 943 . 1 1 1 A 227 227 VAL CB C 289 32.153 34.712 -2.559 1
1 944 . 1 1 1 A 227 227 VAL N N 289 119.721 127.777 -8.056 1
1 945 . 1 1 1 A 228 228 HIS H H 290 8.628 8.988 -0.360 1
1 946 . 1 1 1 A 228 228 HIS C C 290 173.297 172.743 0.554 1
1 947 . 1 1 1 A 228 228 HIS CA C 290 54.501 53.929 0.572 1
1 948 . 1 1 1 A 228 228 HIS CB C 290 28.425 32.927 -4.502 1
1 949 . 1 1 1 A 228 228 HIS N N 290 122.948 121.429 1.519 1
1 950 . 1 1 1 A 229 229 CYS H H 291 7.450 8.469 -1.019 1
1 951 . 1 1 1 A 229 229 CYS C C 291 173.262 174.762 -1.500 1
1 952 . 1 1 1 A 229 229 CYS CA C 291 56.845 57.333 -0.488 1
1 953 . 1 1 1 A 229 229 CYS CB C 291 25.976 30.566 -4.590 1
1 954 . 1 1 1 A 229 229 CYS N N 291 115.721 117.828 -2.107 1
1 955 . 1 1 1 A 230 230 SER H H 292 7.468 9.127 -1.659 1
1 956 . 1 1 1 A 230 230 SER CB C 292 69.178 63.471 5.707 1
1 957 . 1 1 1 A 230 230 SER N N 292 119.561 116.479 3.082 1
1 961 . 1 1 1 A 231 231 ALA C C 293 175.691 178.044 -2.353 1
1 962 . 1 1 1 A 231 231 ALA CA C 293 51.364 52.578 -1.214 1
1 963 . 1 1 1 A 232 232 GLY H H 294 8.715 7.895 0.820 1
1 964 . 1 1 1 A 232 232 GLY C C 294 172.792 174.713 -1.921 1
1 965 . 1 1 1 A 232 232 GLY CA C 294 47.087 46.033 1.054 1
1 966 . 1 1 1 A 232 232 GLY N N 294 111.188 105.637 5.551 1
1 967 . 1 1 1 A 233 233 ILE H H 295 7.108 7.614 -0.506 1
1 968 . 1 1 1 A 233 233 ILE CA C 295 61.234 61.753 -0.519 1
1 969 . 1 1 1 A 233 233 ILE CB C 295 40.650 39.943 0.707 1
1 970 . 1 1 1 A 233 233 ILE N N 295 106.138 116.547 -10.409 1
1 971 . 1 1 1 A 236 236 THR C C 298 174.552 176.846 -2.294 1
1 972 . 1 1 1 A 236 236 THR CA C 298 67.442 66.461 0.981 1
1 973 . 1 1 1 A 237 237 GLY H H 299 6.236 8.487 -2.251 1
1 974 . 1 1 1 A 237 237 GLY C C 299 173.002 176.531 -3.529 1
1 975 . 1 1 1 A 237 237 GLY CA C 299 47.928 47.547 0.381 1
1 976 . 1 1 1 A 237 237 GLY N N 299 105.608 107.744 -2.136 1
1 977 . 1 1 1 A 238 238 CYS H H 300 8.332 7.884 0.448 1
1 978 . 1 1 1 A 238 238 CYS C C 300 176.020 177.309 -1.289 1
1 979 . 1 1 1 A 238 238 CYS CA C 300 63.680 63.051 0.629 1
1 980 . 1 1 1 A 238 238 CYS CB C 300 27.314 27.904 -0.590 1
1 981 . 1 1 1 A 238 238 CYS N N 300 119.777 120.205 -0.428 1
1 982 . 1 1 1 A 239 239 PHE H H 301 8.801 8.084 0.717 1
1 983 . 1 1 1 A 239 239 PHE C C 301 173.295 176.728 -3.433 1
1 984 . 1 1 1 A 239 239 PHE CA C 301 62.328 61.395 0.933 1
1 985 . 1 1 1 A 239 239 PHE CB C 301 39.417 39.050 0.367 1
1 986 . 1 1 1 A 239 239 PHE N N 301 121.649 122.343 -0.694 1
1 987 . 1 1 1 A 240 240 ILE H H 302 7.733 8.061 -0.328 1
1 988 . 1 1 1 A 240 240 ILE C C 302 175.063 178.086 -3.023 1
1 989 . 1 1 1 A 240 240 ILE CA C 302 65.830 65.059 0.771 1
1 990 . 1 1 1 A 240 240 ILE CB C 302 36.980 37.914 -0.934 1
1 991 . 1 1 1 A 240 240 ILE N N 302 118.802 119.783 -0.981 1
1 992 . 1 1 1 A 241 241 ALA H H 303 8.443 8.111 0.332 1
1 993 . 1 1 1 A 241 241 ALA C C 303 177.650 180.038 -2.388 1
1 994 . 1 1 1 A 241 241 ALA CA C 303 54.630 54.890 -0.260 1
1 995 . 1 1 1 A 241 241 ALA CB C 303 18.874 18.067 0.807 1
1 996 . 1 1 1 A 241 241 ALA N N 303 117.642 121.626 -3.984 1
1 997 . 1 1 1 A 242 242 THR H H 304 7.463 7.808 -0.345 1
1 998 . 1 1 1 A 242 242 THR C C 304 173.560 176.206 -2.646 1
1 999 . 1 1 1 A 242 242 THR CA C 304 67.160 66.118 1.042 1
1 1000 . 1 1 1 A 242 242 THR CB C 304 68.384 67.953 0.431 1
1 1001 . 1 1 1 A 242 242 THR N N 304 113.937 113.932 0.005 1
1 1002 . 1 1 1 A 243 243 ARG H H 305 7.567 7.991 -0.424 1
1 1003 . 1 1 1 A 243 243 ARG C C 305 176.548 178.709 -2.161 1
1 1004 . 1 1 1 A 243 243 ARG CA C 305 61.239 59.278 1.961 1
1 1005 . 1 1 1 A 243 243 ARG CB C 305 27.703 29.497 -1.794 1
1 1006 . 1 1 1 A 243 243 ARG N N 305 123.170 119.922 3.248 1
1 1007 . 1 1 1 A 244 244 ILE H H 306 8.178 8.108 0.070 1
1 1008 . 1 1 1 A 244 244 ILE C C 306 177.152 177.863 -0.711 1
1 1009 . 1 1 1 A 244 244 ILE CA C 306 64.904 64.767 0.137 1
1 1010 . 1 1 1 A 244 244 ILE CB C 306 37.851 37.857 -0.006 1
1 1011 . 1 1 1 A 244 244 ILE N N 306 118.061 119.968 -1.907 1
1 1012 . 1 1 1 A 245 245 GLY H H 307 8.598 8.316 0.282 1
1 1013 . 1 1 1 A 245 245 GLY C C 307 174.025 175.914 -1.889 1
1 1014 . 1 1 1 A 245 245 GLY CA C 307 47.630 47.533 0.097 1
1 1015 . 1 1 1 A 245 245 GLY N N 307 108.957 107.522 1.435 1
1 1016 . 1 1 1 A 246 246 CYS H H 308 8.438 8.038 0.400 1
1 1017 . 1 1 1 A 246 246 CYS C C 308 175.272 177.151 -1.879 1
1 1018 . 1 1 1 A 246 246 CYS CA C 308 63.482 63.435 0.047 1
1 1019 . 1 1 1 A 246 246 CYS CB C 308 26.215 25.995 0.220 1
1 1020 . 1 1 1 A 246 246 CYS N N 308 122.310 119.398 2.912 1
1 1021 . 1 1 1 A 247 247 GLN H H 309 7.632 8.166 -0.534 1
1 1022 . 1 1 1 A 247 247 GLN C C 309 178.128 178.689 -0.561 1
1 1023 . 1 1 1 A 247 247 GLN CA C 309 58.873 58.879 -0.006 1
1 1024 . 1 1 1 A 247 247 GLN CB C 309 28.043 27.965 0.078 1
1 1025 . 1 1 1 A 247 247 GLN N N 309 119.584 119.207 0.377 1
1 1026 . 1 1 1 A 248 248 GLN H H 310 8.374 7.891 0.483 1
1 1027 . 1 1 1 A 248 248 GLN C C 310 176.707 178.999 -2.292 1
1 1028 . 1 1 1 A 248 248 GLN CA C 310 60.368 58.882 1.486 1
1 1029 . 1 1 1 A 248 248 GLN CB C 310 27.223 28.138 -0.915 1
1 1030 . 1 1 1 A 248 248 GLN N N 310 119.927 118.897 1.030 1
1 1031 . 1 1 1 A 249 249 LEU H H 311 8.352 8.269 0.083 1
1 1032 . 1 1 1 A 249 249 LEU C C 311 178.412 179.390 -0.978 1
1 1033 . 1 1 1 A 249 249 LEU CA C 311 58.293 57.998 0.295 1
1 1034 . 1 1 1 A 249 249 LEU CB C 311 41.752 41.269 0.483 1
1 1035 . 1 1 1 A 249 249 LEU N N 311 119.715 119.895 -0.180 1
1 1036 . 1 1 1 A 250 250 LYS H H 312 8.447 7.990 0.457 1
1 1037 . 1 1 1 A 250 250 LYS C C 312 175.860 178.866 -3.006 1
1 1038 . 1 1 1 A 250 250 LYS CA C 312 59.242 59.257 -0.015 1
1 1039 . 1 1 1 A 250 250 LYS CB C 312 31.758 32.288 -0.530 1
1 1040 . 1 1 1 A 250 250 LYS N N 312 119.549 120.992 -1.443 1
1 1041 . 1 1 1 A 251 251 ALA H H 313 7.712 7.835 -0.123 1
1 1042 . 1 1 1 A 251 251 ALA C C 313 178.584 179.163 -0.579 1
1 1043 . 1 1 1 A 251 251 ALA CA C 313 54.279 54.886 -0.607 1
1 1044 . 1 1 1 A 251 251 ALA CB C 313 19.615 18.825 0.790 1
1 1045 . 1 1 1 A 251 251 ALA N N 313 118.056 120.076 -2.020 1
1 1046 . 1 1 1 A 252 252 ARG H H 314 8.628 7.728 0.900 1
1 1047 . 1 1 1 A 252 252 ARG C C 314 175.943 176.852 -0.909 1
1 1048 . 1 1 1 A 252 252 ARG CA C 314 55.620 55.801 -0.181 1
1 1049 . 1 1 1 A 252 252 ARG CB C 314 32.184 32.317 -0.133 1
1 1050 . 1 1 1 A 252 252 ARG N N 314 112.783 115.467 -2.684 1
1 1051 . 1 1 1 A 253 253 GLY H H 315 8.106 8.622 -0.516 1
1 1052 . 1 1 1 A 253 253 GLY C C 315 171.194 173.502 -2.308 1
1 1053 . 1 1 1 A 253 253 GLY CA C 315 46.124 46.129 -0.005 1
1 1054 . 1 1 1 A 253 253 GLY N N 315 108.639 109.615 -0.976 1
1 1055 . 1 1 1 A 254 254 GLU H H 316 7.395 7.548 -0.153 1
1 1056 . 1 1 1 A 254 254 GLU C C 316 170.486 174.326 -3.840 1
1 1057 . 1 1 1 A 254 254 GLU CA C 316 53.896 54.616 -0.720 1
1 1058 . 1 1 1 A 254 254 GLU CB C 316 32.714 33.057 -0.343 1
1 1059 . 1 1 1 A 254 254 GLU N N 316 117.327 115.671 1.656 1
1 1060 . 1 1 1 A 255 255 VAL H H 317 8.994 8.676 0.318 1
1 1061 . 1 1 1 A 255 255 VAL C C 317 169.841 172.823 -2.982 1
1 1062 . 1 1 1 A 255 255 VAL CA C 317 58.049 59.638 -1.589 1
1 1063 . 1 1 1 A 255 255 VAL CB C 317 34.299 35.524 -1.225 1
1 1064 . 1 1 1 A 255 255 VAL N N 317 118.799 120.296 -1.497 1
1 1065 . 1 1 1 A 256 256 ASP H H 318 8.231 8.760 -0.529 1
1 1066 . 1 1 1 A 256 256 ASP C C 318 174.723 175.977 -1.254 1
1 1067 . 1 1 1 A 256 256 ASP CA C 318 51.040 52.314 -1.274 1
1 1068 . 1 1 1 A 256 256 ASP CB C 318 39.906 41.482 -1.576 1
1 1069 . 1 1 1 A 256 256 ASP N N 318 128.418 128.153 0.265 1
1 1070 . 1 1 1 A 257 257 ILE H H 319 7.829 8.470 -0.641 1
1 1071 . 1 1 1 A 257 257 ILE C C 319 175.742 177.747 -2.005 1
1 1072 . 1 1 1 A 257 257 ILE CA C 319 66.024 64.909 1.115 1
1 1073 . 1 1 1 A 257 257 ILE CB C 319 35.906 37.601 -1.695 1
1 1074 . 1 1 1 A 257 257 ILE N N 319 126.151 124.962 1.189 1
1 1075 . 1 1 1 A 258 258 LEU H H 320 9.268 8.185 1.083 1
1 1076 . 1 1 1 A 258 258 LEU C C 320 177.606 178.662 -1.056 1
1 1077 . 1 1 1 A 258 258 LEU CA C 320 58.379 58.478 -0.099 1
1 1078 . 1 1 1 A 258 258 LEU CB C 320 40.468 42.107 -1.639 1
1 1079 . 1 1 1 A 258 258 LEU N N 320 124.080 121.915 2.165 1
1 1080 . 1 1 1 A 259 259 GLY H H 321 8.402 8.246 0.156 1
1 1081 . 1 1 1 A 259 259 GLY C C 321 174.939 176.021 -1.082 1
1 1082 . 1 1 1 A 259 259 GLY CA C 321 46.972 47.419 -0.447 1
1 1083 . 1 1 1 A 259 259 GLY N N 321 106.968 105.848 1.120 1
1 1084 . 1 1 1 A 260 260 ILE H H 322 8.328 7.964 0.364 1
1 1085 . 1 1 1 A 260 260 ILE C C 322 176.715 178.405 -1.690 1
1 1086 . 1 1 1 A 260 260 ILE CA C 322 65.500 64.859 0.641 1
1 1087 . 1 1 1 A 260 260 ILE CB C 322 37.580 37.821 -0.241 1
1 1088 . 1 1 1 A 260 260 ILE N N 322 123.855 123.289 0.566 1
1 1089 . 1 1 1 A 261 261 VAL H H 323 8.550 8.285 0.265 1
1 1090 . 1 1 1 A 261 261 VAL C C 323 176.101 177.856 -1.755 1
1 1091 . 1 1 1 A 261 261 VAL CA C 323 67.685 66.508 1.177 1
1 1092 . 1 1 1 A 261 261 VAL CB C 323 30.508 31.616 -1.108 1
1 1093 . 1 1 1 A 261 261 VAL N N 323 120.258 120.304 -0.046 1
1 1094 . 1 1 1 A 262 262 CYS H H 324 8.432 7.872 0.560 1
1 1095 . 1 1 1 A 262 262 CYS C C 324 174.872 177.127 -2.255 1
1 1096 . 1 1 1 A 262 262 CYS CA C 324 64.717 63.588 1.129 1
1 1097 . 1 1 1 A 262 262 CYS CB C 324 26.752 26.641 0.111 1
1 1098 . 1 1 1 A 262 262 CYS N N 324 118.160 118.139 0.021 1
1 1099 . 1 1 1 A 263 263 GLN H H 325 8.013 8.255 -0.242 1
1 1100 . 1 1 1 A 263 263 GLN C C 325 177.450 178.350 -0.900 1
1 1101 . 1 1 1 A 263 263 GLN CA C 325 58.502 59.188 -0.686 1
1 1102 . 1 1 1 A 263 263 GLN CB C 325 27.182 28.099 -0.917 1
1 1103 . 1 1 1 A 263 263 GLN N N 325 117.340 120.890 -3.550 1
1 1104 . 1 1 1 A 264 264 LEU H H 326 8.287 8.207 0.080 1
1 1105 . 1 1 1 A 264 264 LEU C C 326 177.892 179.023 -1.131 1
1 1106 . 1 1 1 A 264 264 LEU CA C 326 58.056 57.703 0.353 1
1 1107 . 1 1 1 A 264 264 LEU CB C 326 40.531 41.214 -0.683 1
1 1108 . 1 1 1 A 264 264 LEU N N 326 119.074 119.197 -0.123 1
1 1109 . 1 1 1 A 265 265 ARG H H 327 7.922 8.343 -0.421 1
1 1110 . 1 1 1 A 265 265 ARG C C 327 177.377 178.997 -1.620 1
1 1111 . 1 1 1 A 265 265 ARG CA C 327 57.875 59.239 -1.364 1
1 1112 . 1 1 1 A 265 265 ARG CB C 327 29.654 29.779 -0.125 1
1 1113 . 1 1 1 A 265 265 ARG N N 327 116.440 118.384 -1.944 1
1 1114 . 1 1 1 A 266 266 LEU H H 328 7.332 8.268 -0.936 1
1 1115 . 1 1 1 A 266 266 LEU C C 328 176.269 178.749 -2.480 1
1 1116 . 1 1 1 A 266 266 LEU CA C 328 56.970 57.844 -0.874 1
1 1117 . 1 1 1 A 266 266 LEU CB C 328 40.877 40.897 -0.020 1
1 1118 . 1 1 1 A 266 266 LEU N N 328 118.302 120.228 -1.926 1
1 1119 . 1 1 1 A 267 267 ASP H H 329 7.113 7.911 -0.798 1
1 1120 . 1 1 1 A 267 267 ASP C C 329 174.571 176.449 -1.878 1
1 1121 . 1 1 1 A 267 267 ASP CA C 329 56.892 55.911 0.981 1
1 1122 . 1 1 1 A 267 267 ASP CB C 329 42.395 42.116 0.279 1
1 1123 . 1 1 1 A 267 267 ASP N N 329 120.164 117.454 2.710 1
1 1124 . 1 1 1 A 268 268 ARG H H 330 8.524 7.656 0.868 1
1 1125 . 1 1 1 A 268 268 ARG C C 330 171.634 174.599 -2.965 1
1 1126 . 1 1 1 A 268 268 ARG CA C 330 56.595 55.439 1.156 1
1 1127 . 1 1 1 A 268 268 ARG CB C 330 31.436 33.093 -1.657 1
1 1128 . 1 1 1 A 268 268 ARG N N 330 122.028 119.049 2.979 1
1 1129 . 1 1 1 A 269 269 GLY H H 331 9.008 8.669 0.339 1
1 1130 . 1 1 1 A 269 269 GLY C C 331 172.822 175.274 -2.452 1
1 1131 . 1 1 1 A 269 269 GLY CA C 331 46.558 46.444 0.114 1
1 1132 . 1 1 1 A 269 269 GLY N N 331 113.589 113.902 -0.313 1
1 1133 . 1 1 1 A 270 270 GLY H H 332 7.931 8.388 -0.457 1
1 1134 . 1 1 1 A 270 270 GLY C C 332 172.355 174.238 -1.883 1
1 1135 . 1 1 1 A 270 270 GLY CA C 332 44.885 45.544 -0.659 1
1 1136 . 1 1 1 A 270 270 GLY N N 332 103.641 115.433 -11.792 1
1 1137 . 1 1 1 A 271 271 MET H H 333 6.495 7.706 -1.211 1
1 1138 . 1 1 1 A 271 271 MET C C 333 176.707 177.261 -0.554 1
1 1139 . 1 1 1 A 271 271 MET CA C 333 57.151 56.443 0.708 1
1 1140 . 1 1 1 A 271 271 MET CB C 333 34.005 32.507 1.498 1
1 1141 . 1 1 1 A 271 271 MET N N 333 115.401 119.749 -4.348 1
1 1142 . 1 1 1 A 272 272 ILE H H 334 8.556 8.635 -0.079 1
1 1143 . 1 1 1 A 272 272 ILE C C 334 171.428 176.223 -4.795 1
1 1144 . 1 1 1 A 272 272 ILE CA C 334 64.471 61.872 2.599 1
1 1145 . 1 1 1 A 272 272 ILE CB C 334 31.733 36.236 -4.503 1
1 1146 . 1 1 1 A 272 272 ILE N N 334 115.525 119.166 -3.641 1
1 1147 . 1 1 1 A 273 273 GLN H H 335 8.163 8.632 -0.469 1
1 1148 . 1 1 1 A 273 273 GLN C C 335 175.955 175.960 -0.005 1
1 1149 . 1 1 1 A 273 273 GLN CA C 335 58.242 57.581 0.661 1
1 1150 . 1 1 1 A 273 273 GLN CB C 335 31.572 29.953 1.619 1
1 1151 . 1 1 1 A 273 273 GLN N N 335 122.453 128.160 -5.707 1
1 1152 . 1 1 1 A 274 274 THR H H 336 7.114 7.715 -0.601 1
1 1153 . 1 1 1 A 274 274 THR C C 336 172.206 174.775 -2.569 1
1 1154 . 1 1 1 A 274 274 THR CA C 336 58.009 59.370 -1.361 1
1 1155 . 1 1 1 A 274 274 THR CB C 336 72.297 71.631 0.666 1
1 1156 . 1 1 1 A 274 274 THR N N 336 105.407 109.141 -3.734 1
1 1157 . 1 1 1 A 275 275 ALA H H 337 8.846 9.155 -0.309 1
1 1158 . 1 1 1 A 275 275 ALA C C 337 178.129 179.500 -1.371 1
1 1159 . 1 1 1 A 275 275 ALA CA C 337 53.661 55.128 -1.467 1
1 1160 . 1 1 1 A 275 275 ALA CB C 337 16.632 18.023 -1.391 1
1 1161 . 1 1 1 A 275 275 ALA N N 337 124.873 124.875 -0.002 1
1 1162 . 1 1 1 A 276 276 GLU H H 338 8.312 8.486 -0.174 1
1 1163 . 1 1 1 A 276 276 GLU C C 338 178.483 179.140 -0.657 1
1 1164 . 1 1 1 A 276 276 GLU CA C 338 59.621 59.692 -0.071 1
1 1165 . 1 1 1 A 276 276 GLU CB C 338 28.305 28.887 -0.582 1
1 1166 . 1 1 1 A 276 276 GLU N N 338 118.987 117.856 1.131 1
1 1167 . 1 1 1 A 277 277 GLN H H 339 7.764 8.282 -0.518 1
1 1168 . 1 1 1 A 277 277 GLN C C 339 176.107 178.574 -2.467 1
1 1169 . 1 1 1 A 277 277 GLN CA C 339 58.670 59.125 -0.455 1
1 1170 . 1 1 1 A 277 277 GLN CB C 339 27.949 28.011 -0.062 1
1 1171 . 1 1 1 A 277 277 GLN N N 339 121.789 118.200 3.589 1
1 1172 . 1 1 1 A 278 278 TYR H H 340 7.555 8.171 -0.616 1
1 1173 . 1 1 1 A 278 278 TYR C C 340 178.020 178.069 -0.049 1
1 1174 . 1 1 1 A 278 278 TYR CA C 340 61.713 61.279 0.434 1
1 1175 . 1 1 1 A 278 278 TYR CB C 340 38.830 38.395 0.435 1
1 1176 . 1 1 1 A 278 278 TYR N N 340 121.759 123.451 -1.692 1
1 1177 . 1 1 1 A 279 279 GLN H H 341 8.722 8.228 0.494 1
1 1178 . 1 1 1 A 279 279 GLN C C 341 176.706 178.628 -1.922 1
1 1179 . 1 1 1 A 279 279 GLN CA C 341 58.874 58.749 0.125 1
1 1180 . 1 1 1 A 279 279 GLN CB C 341 27.205 27.778 -0.573 1
1 1181 . 1 1 1 A 279 279 GLN N N 341 120.678 117.893 2.785 1
1 1182 . 1 1 1 A 280 280 PHE H H 342 8.567 8.203 0.364 1
1 1183 . 1 1 1 A 280 280 PHE C C 342 177.027 177.506 -0.479 1
1 1184 . 1 1 1 A 280 280 PHE CA C 342 59.890 60.771 -0.881 1
1 1185 . 1 1 1 A 280 280 PHE CB C 342 38.308 39.467 -1.159 1
1 1186 . 1 1 1 A 280 280 PHE N N 342 123.831 122.799 1.032 1
1 1187 . 1 1 1 A 281 281 LEU H H 343 8.235 8.247 -0.012 1
1 1188 . 1 1 1 A 281 281 LEU C C 343 176.815 178.514 -1.699 1
1 1189 . 1 1 1 A 281 281 LEU CA C 343 57.507 58.066 -0.559 1
1 1190 . 1 1 1 A 281 281 LEU CB C 343 41.380 41.749 -0.369 1
1 1191 . 1 1 1 A 281 281 LEU N N 343 121.975 120.243 1.732 1
1 1192 . 1 1 1 A 282 282 HIS H H 344 7.025 8.128 -1.103 1
1 1193 . 1 1 1 A 282 282 HIS C C 344 175.901 177.744 -1.843 1
1 1194 . 1 1 1 A 282 282 HIS CA C 344 61.499 59.382 2.117 1
1 1195 . 1 1 1 A 282 282 HIS CB C 344 27.030 30.425 -3.395 1
1 1196 . 1 1 1 A 282 282 HIS N N 344 116.019 117.825 -1.806 1
1 1197 . 1 1 1 A 283 283 HIS H H 345 7.897 7.982 -0.085 1
1 1198 . 1 1 1 A 283 283 HIS C C 345 176.712 176.882 -0.170 1
1 1199 . 1 1 1 A 283 283 HIS CA C 345 58.582 59.628 -1.046 1
1 1200 . 1 1 1 A 283 283 HIS CB C 345 30.257 30.273 -0.016 1
1 1201 . 1 1 1 A 283 283 HIS N N 345 119.440 119.089 0.351 1
1 1202 . 1 1 1 A 284 284 THR H H 346 8.369 8.152 0.217 1
1 1203 . 1 1 1 A 284 284 THR C C 346 174.356 176.020 -1.664 1
1 1204 . 1 1 1 A 284 284 THR CA C 346 66.613 66.460 0.153 1
1 1205 . 1 1 1 A 284 284 THR CB C 346 67.534 68.192 -0.658 1
1 1206 . 1 1 1 A 284 284 THR N N 346 117.588 114.052 3.536 1
1 1207 . 1 1 1 A 285 285 LEU H H 347 7.661 7.777 -0.116 1
1 1208 . 1 1 1 A 285 285 LEU C C 347 176.786 179.057 -2.271 1
1 1209 . 1 1 1 A 285 285 LEU CA C 347 56.819 57.004 -0.185 1
1 1210 . 1 1 1 A 285 285 LEU CB C 347 39.334 41.634 -2.300 1
1 1211 . 1 1 1 A 285 285 LEU N N 347 120.633 120.168 0.465 1
1 1212 . 1 1 1 A 286 286 ALA H H 348 8.056 8.262 -0.206 1
1 1213 . 1 1 1 A 286 286 ALA C C 348 178.451 179.635 -1.184 1
1 1214 . 1 1 1 A 286 286 ALA CA C 348 55.207 55.094 0.113 1
1 1215 . 1 1 1 A 286 286 ALA CB C 348 17.643 18.144 -0.501 1
1 1216 . 1 1 1 A 286 286 ALA N N 348 122.569 122.764 -0.195 1
1 1217 . 1 1 1 A 287 287 LEU H H 349 7.457 7.901 -0.444 1
1 1218 . 1 1 1 A 287 287 LEU C C 349 178.318 178.140 0.178 1
1 1219 . 1 1 1 A 287 287 LEU CA C 349 57.411 57.534 -0.123 1
1 1220 . 1 1 1 A 287 287 LEU CB C 349 39.884 41.645 -1.761 1
1 1221 . 1 1 1 A 287 287 LEU N N 349 121.083 119.911 1.172 1
1 1222 . 1 1 1 A 288 288 TYR H H 350 7.848 8.299 -0.451 1
1 1223 . 1 1 1 A 288 288 TYR C C 350 176.382 177.514 -1.132 1
1 1224 . 1 1 1 A 288 288 TYR CA C 350 61.198 62.092 -0.894 1
1 1225 . 1 1 1 A 288 288 TYR CB C 350 37.578 38.703 -1.125 1
1 1226 . 1 1 1 A 288 288 TYR N N 350 120.619 119.451 1.168 1
1 1227 . 1 1 1 A 289 289 ALA H H 351 8.477 8.546 -0.069 1
1 1228 . 1 1 1 A 289 289 ALA C C 351 177.488 180.083 -2.595 1
1 1229 . 1 1 1 A 289 289 ALA CA C 351 54.395 54.977 -0.582 1
1 1230 . 1 1 1 A 289 289 ALA CB C 351 17.511 18.068 -0.557 1
1 1231 . 1 1 1 A 289 289 ALA N N 351 119.777 121.425 -1.648 1
1 1232 . 1 1 1 A 290 290 GLY H H 352 7.369 8.339 -0.970 1
1 1233 . 1 1 1 A 290 290 GLY C C 352 173.141 175.044 -1.903 1
1 1234 . 1 1 1 A 290 290 GLY CA C 352 45.555 46.809 -1.254 1
1 1235 . 1 1 1 A 290 290 GLY N N 352 101.900 106.874 -4.974 1
1 1236 . 1 1 1 A 291 291 GLN H H 353 7.490 7.826 -0.336 1
1 1237 . 1 1 1 A 291 291 GLN C C 353 174.802 175.954 -1.152 1
1 1238 . 1 1 1 A 291 291 GLN CA C 353 54.647 55.560 -0.913 1
1 1239 . 1 1 1 A 291 291 GLN CB C 353 27.994 29.268 -1.274 1
1 1240 . 1 1 1 A 291 291 GLN N N 353 118.100 117.297 0.803 1
1 1241 . 1 1 1 A 292 292 LEU H H 354 6.821 7.298 -0.477 1
1 1242 . 1 1 1 A 292 292 LEU CA C 354 52.765 53.530 -0.765 1
1 1243 . 1 1 1 A 292 292 LEU CB C 354 39.958 41.394 -1.436 1
1 1244 . 1 1 1 A 292 292 LEU N N 354 122.389 123.400 -1.011 1
1 1245 . 1 1 1 A 293 293 PRO C C 355 175.538 176.215 -0.677 1
1 1246 . 1 1 1 A 293 293 PRO CA C 355 62.596 62.982 -0.386 1
1 1247 . 1 1 1 A 293 293 PRO CB C 355 31.221 32.092 -0.871 1
1 1248 . 1 1 1 A 294 294 GLU H H 356 8.538 8.640 -0.102 1
1 1249 . 1 1 1 A 294 294 GLU C C 356 174.663 174.210 0.453 1
1 1250 . 1 1 1 A 294 294 GLU CA C 356 56.452 54.873 1.579 1
1 1251 . 1 1 1 A 294 294 GLU CB C 356 29.679 32.210 -2.531 1
1 1252 . 1 1 1 A 294 294 GLU N N 356 122.846 120.302 2.544 1
1 1253 . 1 1 1 A 295 295 GLU H H 357 8.359 8.787 -0.428 1
1 1254 . 1 1 1 A 295 295 GLU CA C 357 53.748 52.743 1.005 1
1 1255 . 1 1 1 A 295 295 GLU CB C 357 29.272 32.948 -3.676 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 219 2.266 1
2 1 1 1 "RMS(OBS, PRED)" CA 245 1.791 1
3 1 1 1 "RMS(OBS, PRED)" CB 224 2.027 1
4 1 1 1 "RMS(OBS, PRED)" H 220 0.665 1
5 1 1 1 "RMS(OBS, PRED)" HA 0 0.000 1
6 1 1 1 "RMS(OBS, PRED)" N 219 3.507 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 4 . 1 1 A 4 4 THR H H 66 8.042 8.187 -0.145 2
1 5 . 1 1 A 4 4 THR CA C 66 60.147 67.667 -7.520 2
1 6 . 1 1 A 4 4 THR CB C 66 69.074 66.530 2.544 2
1 7 . 1 1 A 4 4 THR N N 66 116.025 118.267 -2.242 2
1 8 . 1 1 A 5 5 PRO C C 67 174.647 178.728 -4.081 2
1 9 . 1 1 A 5 5 PRO CA C 67 64.198 66.207 -2.009 2
1 10 . 1 1 A 5 5 PRO CB C 67 31.218 30.627 0.591 2
1 11 . 1 1 A 6 6 ARG H H 68 8.366 8.240 0.126 2
1 12 . 1 1 A 6 6 ARG C C 68 176.370 178.679 -2.309 2
1 13 . 1 1 A 6 6 ARG CA C 68 58.379 59.219 -0.840 2
1 14 . 1 1 A 6 6 ARG CB C 68 29.118 29.694 -0.576 2
1 15 . 1 1 A 6 6 ARG N N 68 121.076 118.171 2.905 2
1 16 . 1 1 A 7 7 GLU H H 69 8.271 7.995 0.276 2
1 17 . 1 1 A 7 7 GLU C C 69 177.769 179.090 -1.321 2
1 18 . 1 1 A 7 7 GLU CA C 69 59.058 59.215 -0.157 2
1 19 . 1 1 A 7 7 GLU CB C 69 28.639 28.918 -0.279 2
1 20 . 1 1 A 7 7 GLU N N 69 118.430 119.748 -1.318 2
1 21 . 1 1 A 8 8 VAL H H 70 7.746 7.816 -0.070 2
1 22 . 1 1 A 8 8 VAL C C 70 177.340 178.518 -1.178 2
1 23 . 1 1 A 8 8 VAL CA C 70 65.719 66.132 -0.413 2
1 24 . 1 1 A 8 8 VAL CB C 70 31.057 31.560 -0.503 2
1 25 . 1 1 A 8 8 VAL N N 70 120.914 120.838 0.076 2
1 26 . 1 1 A 9 9 THR H H 71 7.844 8.116 -0.272 2
1 27 . 1 1 A 9 9 THR C C 71 174.478 176.573 -2.095 2
1 28 . 1 1 A 9 9 THR CA C 71 65.785 66.990 -1.205 2
1 29 . 1 1 A 9 9 THR CB C 71 68.238 68.148 0.090 2
1 30 . 1 1 A 9 9 THR N N 71 117.710 117.536 0.174 2
1 31 . 1 1 A 10 10 LEU H H 72 8.100 7.903 0.197 2
1 32 . 1 1 A 10 10 LEU C C 72 176.949 178.964 -2.015 2
1 33 . 1 1 A 10 10 LEU CA C 72 57.715 57.481 0.234 2
1 34 . 1 1 A 10 10 LEU CB C 72 40.516 41.766 -1.250 2
1 35 . 1 1 A 10 10 LEU N N 72 120.695 120.049 0.646 2
1 36 . 1 1 A 11 11 HIS H H 73 7.970 8.047 -0.077 2
1 37 . 1 1 A 11 11 HIS C C 73 176.999 177.044 -0.045 2
1 38 . 1 1 A 11 11 HIS CA C 73 60.129 58.992 1.137 2
1 39 . 1 1 A 11 11 HIS CB C 73 30.146 30.136 0.010 2
1 40 . 1 1 A 11 11 HIS N N 73 117.939 117.811 0.128 2
1 41 . 1 1 A 12 12 PHE H H 74 7.966 8.048 -0.082 2
1 42 . 1 1 A 12 12 PHE C C 74 175.848 177.150 -1.302 2
1 43 . 1 1 A 12 12 PHE CA C 74 61.723 61.304 0.419 2
1 44 . 1 1 A 12 12 PHE CB C 74 38.487 39.120 -0.633 2
1 45 . 1 1 A 12 12 PHE N N 74 121.167 120.419 0.748 2
1 46 . 1 1 A 13 13 LEU H H 75 8.066 8.563 -0.497 2
1 47 . 1 1 A 13 13 LEU C C 75 176.843 178.982 -2.139 2
1 48 . 1 1 A 13 13 LEU CA C 75 57.274 57.744 -0.470 2
1 49 . 1 1 A 13 13 LEU CB C 75 40.310 41.260 -0.950 2
1 50 . 1 1 A 13 13 LEU N N 75 117.282 119.193 -1.911 2
1 51 . 1 1 A 14 14 ARG H H 76 7.974 7.923 0.051 2
1 52 . 1 1 A 14 14 ARG C C 76 176.140 177.612 -1.472 2
1 53 . 1 1 A 14 14 ARG CA C 76 57.872 58.163 -0.291 2
1 54 . 1 1 A 14 14 ARG CB C 76 30.820 30.649 0.171 2
1 55 . 1 1 A 14 14 ARG N N 76 113.709 117.228 -3.519 2
1 56 . 1 1 A 15 15 THR H H 77 7.169 7.512 -0.343 2
1 57 . 1 1 A 15 15 THR C C 77 173.391 174.723 -1.332 2
1 58 . 1 1 A 15 15 THR CA C 77 61.835 61.533 0.302 2
1 59 . 1 1 A 15 15 THR CB C 77 71.205 70.425 0.780 2
1 60 . 1 1 A 15 15 THR N N 77 106.940 106.105 0.835 2
1 61 . 1 1 A 16 16 ALA H H 78 7.895 7.395 0.500 2
1 62 . 1 1 A 16 16 ALA C C 78 176.001 177.051 -1.050 2
1 63 . 1 1 A 16 16 ALA CA C 78 52.889 52.750 0.139 2
1 64 . 1 1 A 16 16 ALA CB C 78 18.717 18.801 -0.084 2
1 65 . 1 1 A 16 16 ALA N N 78 127.564 125.866 1.698 2
1 66 . 1 1 A 17 17 GLY H H 79 7.744 8.383 -0.639 2
1 67 . 1 1 A 17 17 GLY C C 79 171.221 172.150 -0.929 2
1 68 . 1 1 A 17 17 GLY CA C 79 46.460 45.905 0.555 2
1 69 . 1 1 A 17 17 GLY N N 79 105.662 107.384 -1.722 2
1 70 . 1 1 A 18 18 HIS H H 80 10.487 8.728 1.759 2
1 71 . 1 1 A 18 18 HIS CA C 80 52.163 53.719 -1.556 2
1 72 . 1 1 A 18 18 HIS CB C 80 29.160 30.476 -1.316 2
1 73 . 1 1 A 18 18 HIS N N 80 121.968 122.548 -0.580 2
1 74 . 1 1 A 19 19 PRO C C 81 174.854 176.146 -1.292 2
1 75 . 1 1 A 19 19 PRO CA C 81 63.778 63.181 0.597 2
1 76 . 1 1 A 19 19 PRO CB C 81 31.130 32.052 -0.922 2
1 77 . 1 1 A 20 20 LEU H H 82 9.058 8.560 0.498 2
1 78 . 1 1 A 20 20 LEU C C 82 174.982 176.951 -1.969 2
1 79 . 1 1 A 20 20 LEU CA C 82 53.013 53.509 -0.496 2
1 80 . 1 1 A 20 20 LEU CB C 82 43.999 43.587 0.412 2
1 81 . 1 1 A 20 20 LEU N N 82 125.555 122.969 2.586 2
1 82 . 1 1 A 21 21 THR H H 83 8.100 8.582 -0.482 2
1 83 . 1 1 A 21 21 THR C C 83 172.310 175.628 -3.318 2
1 84 . 1 1 A 21 21 THR CA C 83 61.337 61.325 0.012 2
1 85 . 1 1 A 21 21 THR CB C 83 70.933 70.660 0.273 2
1 86 . 1 1 A 21 21 THR N N 83 112.402 115.698 -3.296 2
1 87 . 1 1 A 22 22 ARG H H 84 9.342 8.837 0.505 2
1 88 . 1 1 A 22 22 ARG C C 84 175.178 177.910 -2.732 2
1 89 . 1 1 A 22 22 ARG CA C 84 60.058 59.932 0.126 2
1 90 . 1 1 A 22 22 ARG CB C 84 32.951 30.068 2.883 2
1 91 . 1 1 A 22 22 ARG N N 84 129.435 122.382 7.053 2
1 92 . 1 1 A 23 23 TRP H H 85 7.867 8.037 -0.170 2
1 93 . 1 1 A 23 23 TRP C C 85 176.043 177.675 -1.632 2
1 94 . 1 1 A 23 23 TRP CA C 85 60.324 61.138 -0.814 2
1 95 . 1 1 A 23 23 TRP CB C 85 29.188 29.394 -0.206 2
1 96 . 1 1 A 23 23 TRP N N 85 117.776 122.007 -4.231 2
1 97 . 1 1 A 24 24 ALA H H 86 8.044 8.194 -0.150 2
1 98 . 1 1 A 24 24 ALA C C 86 178.461 179.445 -0.984 2
1 99 . 1 1 A 24 24 ALA CA C 86 55.081 55.126 -0.045 2
1 100 . 1 1 A 24 24 ALA CB C 86 17.905 18.136 -0.231 2
1 101 . 1 1 A 24 24 ALA N N 86 123.425 121.119 2.306 2
1 102 . 1 1 A 25 25 LEU H H 87 8.109 7.956 0.153 2
1 103 . 1 1 A 25 25 LEU C C 87 175.404 178.504 -3.100 2
1 104 . 1 1 A 25 25 LEU CA C 87 57.294 57.580 -0.286 2
1 105 . 1 1 A 25 25 LEU CB C 87 41.703 41.531 0.172 2
1 106 . 1 1 A 25 25 LEU N N 87 115.256 119.533 -4.277 2
1 107 . 1 1 A 26 26 GLN H H 88 7.253 7.894 -0.641 2
1 108 . 1 1 A 26 26 GLN C C 88 176.087 177.029 -0.942 2
1 109 . 1 1 A 26 26 GLN CA C 88 57.769 58.405 -0.636 2
1 110 . 1 1 A 26 26 GLN CB C 88 30.845 29.366 1.479 2
1 111 . 1 1 A 26 26 GLN N N 88 111.379 118.873 -7.494 2
1 112 . 1 1 A 27 27 ARG H H 89 8.136 8.056 0.080 2
1 113 . 1 1 A 27 27 ARG C C 89 175.104 175.411 -0.307 2
1 114 . 1 1 A 27 27 ARG CA C 89 55.838 55.195 0.643 2
1 115 . 1 1 A 27 27 ARG CB C 89 30.445 31.690 -1.245 2
1 116 . 1 1 A 27 27 ARG N N 89 115.356 115.078 0.278 2
1 117 . 1 1 A 28 28 GLN H H 90 8.356 7.733 0.623 2
1 118 . 1 1 A 28 28 GLN CA C 90 53.328 53.681 -0.353 2
1 119 . 1 1 A 28 28 GLN CB C 90 29.242 28.803 0.439 2
1 120 . 1 1 A 28 28 GLN N N 90 119.945 119.309 0.636 2
1 121 . 1 1 A 30 30 PRO C C 92 173.876 177.014 -3.138 2
1 122 . 1 1 A 30 30 PRO CA C 92 61.990 62.657 -0.667 2
1 123 . 1 1 A 30 30 PRO CB C 92 31.037 32.272 -1.235 2
1 124 . 1 1 A 31 31 SER H H 93 8.432 8.298 0.134 2
1 125 . 1 1 A 31 31 SER CA C 93 55.846 56.969 -1.123 2
1 126 . 1 1 A 31 31 SER CB C 93 63.047 63.000 0.047 2
1 127 . 1 1 A 31 31 SER N N 93 118.787 115.762 3.025 2
1 128 . 1 1 A 33 33 LYS C C 95 174.205 178.820 -4.615 2
1 129 . 1 1 A 33 33 LYS CA C 95 56.196 59.535 -3.339 2
1 130 . 1 1 A 33 33 LYS CB C 95 26.610 32.316 -5.706 2
1 131 . 1 1 A 34 34 GLN H H 96 7.568 8.101 -0.533 2
1 132 . 1 1 A 34 34 GLN C C 96 178.493 179.190 -0.697 2
1 133 . 1 1 A 34 34 GLN CA C 96 56.100 58.887 -2.787 2
1 134 . 1 1 A 34 34 GLN CB C 96 29.769 28.221 1.548 2
1 135 . 1 1 A 34 34 GLN N N 96 119.561 118.453 1.108 2
1 136 . 1 1 A 35 35 LEU H H 97 8.269 8.280 -0.011 2
1 137 . 1 1 A 35 35 LEU C C 97 177.068 179.336 -2.268 2
1 138 . 1 1 A 35 35 LEU CA C 97 57.233 57.538 -0.305 2
1 139 . 1 1 A 35 35 LEU CB C 97 41.507 41.154 0.353 2
1 140 . 1 1 A 35 35 LEU N N 97 119.672 120.279 -0.607 2
1 141 . 1 1 A 36 36 GLU H H 98 8.231 8.169 0.062 2
1 142 . 1 1 A 36 36 GLU C C 98 176.184 179.365 -3.181 2
1 143 . 1 1 A 36 36 GLU CA C 98 59.881 59.941 -0.060 2
1 144 . 1 1 A 36 36 GLU CB C 98 28.933 29.253 -0.320 2
1 145 . 1 1 A 36 36 GLU N N 98 121.178 120.099 1.079 2
1 146 . 1 1 A 37 37 GLU H H 99 7.818 8.257 -0.439 2
1 147 . 1 1 A 37 37 GLU C C 99 177.227 179.056 -1.829 2
1 148 . 1 1 A 37 37 GLU CA C 99 59.140 59.452 -0.312 2
1 149 . 1 1 A 37 37 GLU CB C 99 28.835 29.284 -0.449 2
1 150 . 1 1 A 37 37 GLU N N 99 117.438 120.370 -2.932 2
1 151 . 1 1 A 38 38 GLU H H 100 7.907 8.151 -0.244 2
1 152 . 1 1 A 38 38 GLU C C 100 171.740 178.751 -7.011 2
1 153 . 1 1 A 38 38 GLU CA C 100 59.450 59.575 -0.125 2
1 154 . 1 1 A 38 38 GLU CB C 100 31.097 29.566 1.531 2
1 155 . 1 1 A 38 38 GLU N N 100 119.713 120.083 -0.370 2
1 156 . 1 1 A 39 39 PHE H H 101 8.484 8.015 0.469 2
1 157 . 1 1 A 39 39 PHE C C 101 176.911 176.656 0.255 2
1 158 . 1 1 A 39 39 PHE CA C 101 60.703 61.187 -0.484 2
1 159 . 1 1 A 39 39 PHE CB C 101 38.535 39.108 -0.573 2
1 160 . 1 1 A 39 39 PHE N N 101 118.829 120.400 -1.571 2
1 161 . 1 1 A 40 40 LEU H H 102 7.992 8.197 -0.205 2
1 162 . 1 1 A 40 40 LEU C C 102 176.641 178.821 -2.180 2
1 163 . 1 1 A 40 40 LEU CA C 102 56.283 56.813 -0.530 2
1 164 . 1 1 A 40 40 LEU CB C 102 40.932 41.517 -0.585 2
1 165 . 1 1 A 40 40 LEU N N 102 117.592 118.736 -1.144 2
1 166 . 1 1 A 41 41 LYS H H 103 7.010 7.826 -0.816 2
1 167 . 1 1 A 41 41 LYS C C 103 174.501 176.719 -2.218 2
1 168 . 1 1 A 41 41 LYS CA C 103 56.340 57.633 -1.293 2
1 169 . 1 1 A 41 41 LYS CB C 103 32.483 32.501 -0.018 2
1 170 . 1 1 A 41 41 LYS N N 103 117.014 116.728 0.286 2
1 171 . 1 1 A 42 42 ILE H H 104 7.036 7.523 -0.487 2
1 172 . 1 1 A 42 42 ILE CA C 104 59.508 58.578 0.930 2
1 173 . 1 1 A 42 42 ILE CB C 104 37.707 37.917 -0.210 2
1 174 . 1 1 A 42 42 ILE N N 104 120.010 121.012 -1.002 2
1 175 . 1 1 A 43 43 PRO C C 105 176.402 177.064 -0.662 2
1 176 . 1 1 A 43 43 PRO CA C 105 62.293 62.394 -0.101 2
1 177 . 1 1 A 43 43 PRO CB C 105 31.861 32.664 -0.803 2
1 178 . 1 1 A 44 44 SER H H 106 8.545 8.802 -0.257 2
1 179 . 1 1 A 44 44 SER C C 106 173.100 174.253 -1.153 2
1 180 . 1 1 A 44 44 SER CA C 106 61.333 61.184 0.149 2
1 181 . 1 1 A 44 44 SER CB C 106 62.599 62.993 -0.394 2
1 182 . 1 1 A 44 44 SER N N 106 119.512 117.948 1.564 2
1 183 . 1 1 A 45 45 ASN H H 107 8.519 8.245 0.274 2
1 184 . 1 1 A 45 45 ASN C C 107 173.139 174.240 -1.101 2
1 185 . 1 1 A 45 45 ASN CA C 107 53.239 54.244 -1.005 2
1 186 . 1 1 A 45 45 ASN CB C 107 38.673 37.668 1.005 2
1 187 . 1 1 A 45 45 ASN N N 107 117.189 118.593 -1.404 2
1 188 . 1 1 A 46 46 PHE H H 108 7.564 7.712 -0.148 2
1 189 . 1 1 A 46 46 PHE C C 108 176.767 175.707 1.060 2
1 190 . 1 1 A 46 46 PHE CA C 108 57.266 58.322 -1.056 2
1 191 . 1 1 A 46 46 PHE CB C 108 38.710 39.567 -0.857 2
1 192 . 1 1 A 46 46 PHE N N 108 114.458 119.147 -4.689 2
1 193 . 1 1 A 47 47 VAL H H 109 9.120 8.538 0.582 2
1 194 . 1 1 A 47 47 VAL C C 109 173.906 176.405 -2.499 2
1 195 . 1 1 A 47 47 VAL CA C 109 60.226 63.196 -2.970 2
1 196 . 1 1 A 47 47 VAL CB C 109 32.273 32.146 0.127 2
1 197 . 1 1 A 47 47 VAL N N 109 122.604 124.282 -1.678 2
1 198 . 1 1 A 48 48 SER H H 110 8.929 8.561 0.368 2
1 199 . 1 1 A 48 48 SER CA C 110 55.978 56.838 -0.860 2
1 200 . 1 1 A 48 48 SER CB C 110 63.252 62.871 0.381 2
1 201 . 1 1 A 48 48 SER N N 110 122.921 122.003 0.918 2
1 202 . 1 1 A 49 49 PRO C C 111 177.538 178.624 -1.086 2
1 203 . 1 1 A 49 49 PRO CA C 111 65.612 65.464 0.148 2
1 204 . 1 1 A 49 49 PRO CB C 111 30.794 32.079 -1.285 2
1 205 . 1 1 A 50 50 GLU H H 112 8.754 8.392 0.362 2
1 206 . 1 1 A 50 50 GLU C C 112 175.659 178.051 -2.392 2
1 207 . 1 1 A 50 50 GLU CA C 112 58.408 58.787 -0.379 2
1 208 . 1 1 A 50 50 GLU CB C 112 27.788 29.290 -1.502 2
1 209 . 1 1 A 50 50 GLU N N 112 116.615 116.835 -0.220 2
1 210 . 1 1 A 51 51 ASP H H 113 7.723 7.927 -0.204 2
1 211 . 1 1 A 51 51 ASP C C 113 174.315 176.998 -2.683 2
1 212 . 1 1 A 51 51 ASP CA C 113 55.097 54.429 0.668 2
1 213 . 1 1 A 51 51 ASP CB C 113 40.593 39.943 0.650 2
1 214 . 1 1 A 51 51 ASP N N 113 118.894 117.681 1.213 2
1 215 . 1 1 A 52 52 LEU H H 114 7.243 7.614 -0.371 2
1 216 . 1 1 A 52 52 LEU CA C 114 54.677 56.777 -2.100 2
1 217 . 1 1 A 52 52 LEU CB C 114 42.039 42.824 -0.785 2
1 218 . 1 1 A 52 52 LEU N N 114 121.383 120.218 1.165 2
1 219 . 1 1 A 56 56 GLY C C 118 173.020 175.319 -2.299 2
1 220 . 1 1 A 56 56 GLY CA C 118 45.710 46.271 -0.561 2
1 221 . 1 1 A 57 57 HIS H H 119 8.569 8.167 0.402 2
1 222 . 1 1 A 57 57 HIS C C 119 175.487 176.835 -1.348 2
1 223 . 1 1 A 57 57 HIS CA C 119 54.680 57.246 -2.566 2
1 224 . 1 1 A 57 57 HIS CB C 119 27.027 27.847 -0.820 2
1 225 . 1 1 A 57 57 HIS N N 119 114.667 118.664 -3.997 2
1 226 . 1 1 A 58 58 ALA H H 120 8.272 8.299 -0.027 2
1 227 . 1 1 A 58 58 ALA CA C 120 54.209 54.806 -0.597 2
1 228 . 1 1 A 58 58 ALA CB C 120 17.714 18.083 -0.369 2
1 229 . 1 1 A 58 58 ALA N N 120 121.470 123.375 -1.905 2
1 230 . 1 1 A 59 59 SER C C 121 173.174 174.873 -1.699 2
1 231 . 1 1 A 59 59 SER CA C 121 59.608 59.348 0.260 2
1 232 . 1 1 A 59 59 SER CB C 121 62.628 62.963 -0.335 2
1 233 . 1 1 A 60 60 LYS H H 122 8.109 7.745 0.364 2
1 234 . 1 1 A 60 60 LYS C C 122 173.021 175.267 -2.246 2
1 235 . 1 1 A 60 60 LYS CA C 122 55.566 55.650 -0.084 2
1 236 . 1 1 A 60 60 LYS CB C 122 32.008 34.032 -2.024 2
1 237 . 1 1 A 60 60 LYS N N 122 120.415 119.427 0.988 2
1 238 . 1 1 A 61 61 ASP H H 123 7.202 7.616 -0.414 2
1 239 . 1 1 A 61 61 ASP C C 123 172.962 175.727 -2.765 2
1 240 . 1 1 A 61 61 ASP CA C 123 53.671 52.976 0.695 2
1 241 . 1 1 A 61 61 ASP CB C 123 42.832 42.979 -0.147 2
1 242 . 1 1 A 61 61 ASP N N 123 121.737 120.208 1.529 2
1 243 . 1 1 A 62 62 ARG H H 124 9.057 8.938 0.119 2
1 244 . 1 1 A 62 62 ARG C C 124 174.641 175.071 -0.430 2
1 245 . 1 1 A 62 62 ARG CA C 124 59.224 58.076 1.148 2
1 246 . 1 1 A 62 62 ARG CB C 124 30.090 30.916 -0.826 2
1 247 . 1 1 A 62 62 ARG N N 124 126.614 123.851 2.763 2
1 248 . 1 1 A 63 63 TYR H H 125 9.364 8.486 0.878 2
1 249 . 1 1 A 63 63 TYR C C 125 175.065 176.230 -1.165 2
1 250 . 1 1 A 63 63 TYR CA C 125 56.267 56.018 0.249 2
1 251 . 1 1 A 63 63 TYR CB C 125 39.058 40.875 -1.817 2
1 252 . 1 1 A 63 63 TYR N N 125 119.223 117.481 1.742 2
1 253 . 1 1 A 64 64 LYS H H 126 8.409 9.111 -0.702 2
1 254 . 1 1 A 64 64 LYS C C 126 175.857 177.329 -1.472 2
1 255 . 1 1 A 64 64 LYS CA C 126 58.156 59.531 -1.375 2
1 256 . 1 1 A 64 64 LYS CB C 126 31.383 32.113 -0.730 2
1 257 . 1 1 A 64 64 LYS N N 126 120.842 124.327 -3.485 2
1 258 . 1 1 A 65 65 THR H H 127 7.400 7.584 -0.184 2
1 259 . 1 1 A 65 65 THR C C 127 173.073 173.626 -0.553 2
1 260 . 1 1 A 65 65 THR CA C 127 60.646 62.289 -1.643 2
1 261 . 1 1 A 65 65 THR CB C 127 68.378 69.360 -0.982 2
1 262 . 1 1 A 65 65 THR N N 127 102.681 107.411 -4.730 2
1 263 . 1 1 A 66 66 ILE H H 128 7.257 7.563 -0.306 2
1 264 . 1 1 A 66 66 ILE C C 128 171.001 174.765 -3.764 2
1 265 . 1 1 A 66 66 ILE CA C 128 61.094 60.728 0.366 2
1 266 . 1 1 A 66 66 ILE CB C 128 36.325 39.007 -2.682 2
1 267 . 1 1 A 66 66 ILE N N 128 126.272 123.370 2.902 2
1 268 . 1 1 A 67 67 LEU H H 129 7.740 8.430 -0.690 2
1 269 . 1 1 A 67 67 LEU CA C 129 51.017 51.484 -0.467 2
1 270 . 1 1 A 67 67 LEU CB C 129 42.844 44.884 -2.040 2
1 271 . 1 1 A 67 67 LEU N N 129 125.871 128.471 -2.600 2
1 272 . 1 1 A 68 68 PRO C C 130 174.642 177.175 -2.533 2
1 273 . 1 1 A 68 68 PRO CA C 130 61.840 62.690 -0.850 2
1 274 . 1 1 A 68 68 PRO CB C 130 31.374 32.164 -0.790 2
1 275 . 1 1 A 69 69 ASN H H 131 7.985 8.460 -0.475 2
1 276 . 1 1 A 69 69 ASN CA C 131 52.761 51.839 0.922 2
1 277 . 1 1 A 69 69 ASN CB C 131 35.164 37.644 -2.480 2
1 278 . 1 1 A 69 69 ASN N N 131 121.613 120.072 1.541 2
1 279 . 1 1 A 70 70 PRO C C 132 177.432 178.920 -1.488 2
1 280 . 1 1 A 70 70 PRO CA C 132 65.760 65.457 0.303 2
1 281 . 1 1 A 70 70 PRO CB C 132 31.171 31.902 -0.731 2
1 282 . 1 1 A 71 71 GLN H H 133 8.831 8.804 0.027 2
1 283 . 1 1 A 71 71 GLN C C 133 174.658 177.482 -2.824 2
1 284 . 1 1 A 71 71 GLN CA C 133 58.355 58.764 -0.409 2
1 285 . 1 1 A 71 71 GLN CB C 133 26.645 27.989 -1.344 2
1 286 . 1 1 A 71 71 GLN N N 133 116.251 118.130 -1.879 2
1 287 . 1 1 A 72 72 SER H H 134 7.264 7.877 -0.613 2
1 288 . 1 1 A 72 72 SER C C 134 172.410 174.538 -2.128 2
1 289 . 1 1 A 72 72 SER CA C 134 55.966 58.044 -2.078 2
1 290 . 1 1 A 72 72 SER CB C 134 63.814 64.184 -0.370 2
1 291 . 1 1 A 72 72 SER N N 134 108.721 109.896 -1.175 2
1 292 . 1 1 A 73 73 ARG H H 135 7.077 7.618 -0.541 2
1 293 . 1 1 A 73 73 ARG C C 135 172.924 176.238 -3.314 2
1 294 . 1 1 A 73 73 ARG CA C 135 56.421 56.770 -0.349 2
1 295 . 1 1 A 73 73 ARG CB C 135 30.003 30.657 -0.654 2
1 296 . 1 1 A 73 73 ARG N N 135 125.003 123.436 1.567 2
1 297 . 1 1 A 74 74 VAL H H 136 6.924 8.712 -1.788 2
1 298 . 1 1 A 74 74 VAL C C 136 173.271 175.413 -2.142 2
1 299 . 1 1 A 74 74 VAL CA C 136 61.782 62.050 -0.268 2
1 300 . 1 1 A 74 74 VAL CB C 136 30.588 32.063 -1.475 2
1 301 . 1 1 A 74 74 VAL N N 136 123.407 124.814 -1.407 2
1 302 . 1 1 A 75 75 CYS H H 137 8.639 8.749 -0.110 2
1 303 . 1 1 A 75 75 CYS C C 137 173.923 174.755 -0.832 2
1 304 . 1 1 A 75 75 CYS CA C 137 57.592 57.147 0.445 2
1 305 . 1 1 A 75 75 CYS CB C 137 28.276 29.068 -0.792 2
1 306 . 1 1 A 75 75 CYS N N 137 127.615 125.072 2.543 2
1 307 . 1 1 A 76 76 LEU H H 138 9.180 8.756 0.424 2
1 308 . 1 1 A 76 76 LEU C C 138 175.252 177.702 -2.450 2
1 309 . 1 1 A 76 76 LEU CA C 138 54.151 55.090 -0.939 2
1 310 . 1 1 A 76 76 LEU CB C 138 39.336 40.809 -1.473 2
1 311 . 1 1 A 76 76 LEU N N 138 127.285 126.287 0.998 2
1 360 . 1 1 A 87 87 TYR H H 149 7.460 8.161 -0.701 2
1 361 . 1 1 A 87 87 TYR C C 149 173.865 174.474 -0.609 2
1 362 . 1 1 A 87 87 TYR CA C 149 60.610 56.681 3.929 2
1 363 . 1 1 A 87 87 TYR CB C 149 40.337 42.001 -1.664 2
1 364 . 1 1 A 87 87 TYR N N 149 119.633 118.947 0.686 2
1 365 . 1 1 A 88 88 ILE H H 150 7.999 8.699 -0.700 2
1 366 . 1 1 A 88 88 ILE C C 150 171.018 173.213 -2.195 2
1 367 . 1 1 A 88 88 ILE CA C 150 59.444 59.298 0.146 2
1 368 . 1 1 A 88 88 ILE CB C 150 40.788 41.901 -1.113 2
1 369 . 1 1 A 88 88 ILE N N 150 125.330 126.490 -1.160 2
1 370 . 1 1 A 89 89 ASN H H 151 8.074 8.703 -0.629 2
1 371 . 1 1 A 89 89 ASN C C 151 171.952 173.619 -1.667 2
1 372 . 1 1 A 89 89 ASN CA C 151 52.519 52.569 -0.050 2
1 373 . 1 1 A 89 89 ASN CB C 151 35.232 36.849 -1.617 2
1 374 . 1 1 A 89 89 ASN N N 151 126.482 127.147 -0.665 2
1 375 . 1 1 A 90 90 ALA H H 152 7.502 8.091 -0.589 2
1 376 . 1 1 A 90 90 ALA C C 152 173.338 174.980 -1.642 2
1 377 . 1 1 A 90 90 ALA CA C 152 51.186 51.413 -0.227 2
1 378 . 1 1 A 90 90 ALA CB C 152 21.738 23.279 -1.541 2
1 379 . 1 1 A 90 90 ALA N N 152 128.611 127.812 0.799 2
1 380 . 1 1 A 91 91 ASN H H 153 8.460 8.520 -0.060 2
1 381 . 1 1 A 91 91 ASN C C 153 172.787 174.412 -1.625 2
1 382 . 1 1 A 91 91 ASN CA C 153 53.731 51.728 2.003 2
1 383 . 1 1 A 91 91 ASN CB C 153 44.936 42.695 2.241 2
1 384 . 1 1 A 91 91 ASN N N 153 116.107 117.185 -1.078 2
1 385 . 1 1 A 92 92 TYR H H 154 8.859 8.563 0.296 2
1 386 . 1 1 A 92 92 TYR C C 154 174.328 176.327 -1.999 2
1 387 . 1 1 A 92 92 TYR CA C 154 58.306 59.528 -1.222 2
1 388 . 1 1 A 92 92 TYR CB C 154 39.477 39.436 0.041 2
1 389 . 1 1 A 92 92 TYR N N 154 120.893 121.147 -0.254 2
1 390 . 1 1 A 93 93 ILE H H 155 9.096 8.650 0.446 2
1 391 . 1 1 A 93 93 ILE C C 155 174.731 175.218 -0.487 2
1 392 . 1 1 A 93 93 ILE CA C 155 57.217 60.019 -2.802 2
1 393 . 1 1 A 93 93 ILE CB C 155 37.494 41.915 -4.421 2
1 394 . 1 1 A 93 93 ILE N N 155 124.683 122.162 2.521 2
1 395 . 1 1 A 94 94 ARG H H 156 8.610 8.431 0.179 2
1 396 . 1 1 A 94 94 ARG C C 156 175.937 176.161 -0.224 2
1 397 . 1 1 A 94 94 ARG CA C 156 55.883 56.056 -0.173 2
1 398 . 1 1 A 94 94 ARG CB C 156 30.429 31.210 -0.781 2
1 399 . 1 1 A 94 94 ARG N N 156 126.844 127.168 -0.324 2
1 400 . 1 1 A 95 95 GLY H H 157 8.881 8.201 0.680 2
1 401 . 1 1 A 95 95 GLY CA C 157 42.805 44.344 -1.539 2
1 402 . 1 1 A 95 95 GLY N N 157 104.876 107.863 -2.987 2
1 403 . 1 1 A 96 96 TYR H H 158 7.181 8.311 -1.130 2
1 404 . 1 1 A 96 96 TYR C C 158 174.672 175.992 -1.320 2
1 405 . 1 1 A 96 96 TYR CA C 158 56.597 59.591 -2.994 2
1 406 . 1 1 A 96 96 TYR N N 158 124.602 121.233 3.369 2
1 407 . 1 1 A 97 97 ASP H H 159 8.358 9.478 -1.120 2
1 408 . 1 1 A 97 97 ASP C C 159 174.418 176.055 -1.637 2
1 409 . 1 1 A 97 97 ASP CA C 159 54.029 55.043 -1.014 2
1 410 . 1 1 A 97 97 ASP N N 159 122.056 126.909 -4.853 2
1 411 . 1 1 A 98 98 GLY H H 160 7.929 8.363 -0.434 2
1 412 . 1 1 A 98 98 GLY C C 160 172.339 174.439 -2.100 2
1 413 . 1 1 A 98 98 GLY CA C 160 45.233 45.072 0.161 2
1 414 . 1 1 A 98 98 GLY N N 160 105.215 105.199 0.016 2
1 415 . 1 1 A 99 99 LYS H H 161 6.653 8.006 -1.353 2
1 416 . 1 1 A 99 99 LYS C C 161 174.730 176.222 -1.492 2
1 417 . 1 1 A 99 99 LYS CA C 161 56.851 56.705 0.146 2
1 418 . 1 1 A 99 99 LYS CB C 161 31.657 33.308 -1.651 2
1 419 . 1 1 A 99 99 LYS N N 161 121.645 122.592 -0.947 2
1 420 . 1 1 A 100 100 GLU H H 162 8.484 8.755 -0.271 2
1 421 . 1 1 A 100 100 GLU C C 162 175.136 176.717 -1.581 2
1 422 . 1 1 A 100 100 GLU CA C 162 57.166 56.543 0.623 2
1 423 . 1 1 A 100 100 GLU CB C 162 29.692 30.161 -0.469 2
1 424 . 1 1 A 100 100 GLU N N 162 124.278 125.816 -1.538 2
1 425 . 1 1 A 101 101 LYS H H 163 9.273 8.861 0.412 2
1 426 . 1 1 A 101 101 LYS C C 163 172.951 176.159 -3.208 2
1 427 . 1 1 A 101 101 LYS CA C 163 57.443 57.104 0.339 2
1 428 . 1 1 A 101 101 LYS CB C 163 29.756 28.941 0.815 2
1 429 . 1 1 A 101 101 LYS N N 163 114.180 116.634 -2.454 2
1 430 . 1 1 A 102 102 VAL H H 164 7.169 7.798 -0.629 2
1 431 . 1 1 A 102 102 VAL C C 164 175.322 174.977 0.345 2
1 432 . 1 1 A 102 102 VAL CA C 164 64.696 65.231 -0.535 2
1 433 . 1 1 A 102 102 VAL CB C 164 31.062 31.380 -0.318 2
1 434 . 1 1 A 102 102 VAL N N 164 118.157 118.155 0.002 2
1 435 . 1 1 A 103 103 TYR H H 165 8.189 7.720 0.469 2
1 436 . 1 1 A 103 103 TYR C C 165 173.795 174.439 -0.644 2
1 437 . 1 1 A 103 103 TYR CA C 165 53.574 56.248 -2.674 2
1 438 . 1 1 A 103 103 TYR CB C 165 40.513 42.463 -1.950 2
1 439 . 1 1 A 103 103 TYR N N 165 114.441 116.752 -2.311 2
1 440 . 1 1 A 104 104 ILE H H 166 8.875 9.008 -0.133 2
1 441 . 1 1 A 104 104 ILE C C 166 172.752 174.508 -1.756 2
1 442 . 1 1 A 104 104 ILE CA C 166 60.717 60.388 0.329 2
1 443 . 1 1 A 104 104 ILE CB C 166 41.704 39.827 1.877 2
1 444 . 1 1 A 104 104 ILE N N 166 121.657 122.116 -0.459 2
1 445 . 1 1 A 105 105 ALA H H 167 8.398 8.993 -0.595 2
1 446 . 1 1 A 105 105 ALA C C 167 174.640 176.275 -1.635 2
1 447 . 1 1 A 105 105 ALA CA C 167 49.392 50.316 -0.924 2
1 448 . 1 1 A 105 105 ALA CB C 167 20.947 21.734 -0.787 2
1 449 . 1 1 A 105 105 ALA N N 167 128.688 131.387 -2.699 2
1 450 . 1 1 A 106 106 THR H H 168 8.310 8.865 -0.555 2
1 451 . 1 1 A 106 106 THR C C 168 168.818 172.493 -3.675 2
1 452 . 1 1 A 106 106 THR CA C 168 57.884 60.298 -2.414 2
1 453 . 1 1 A 106 106 THR CB C 168 70.775 71.057 -0.282 2
1 454 . 1 1 A 106 106 THR N N 168 115.632 115.169 0.463 2
1 455 . 1 1 A 107 107 GLN H H 169 6.577 7.430 -0.853 2
1 456 . 1 1 A 107 107 GLN C C 169 174.376 175.601 -1.225 2
1 457 . 1 1 A 107 107 GLN CA C 169 52.449 53.458 -1.009 2
1 458 . 1 1 A 107 107 GLN CB C 169 27.798 28.821 -1.023 2
1 459 . 1 1 A 107 107 GLN N N 169 117.633 118.979 -1.346 2
1 460 . 1 1 A 108 108 GLY H H 170 8.628 8.736 -0.108 2
1 461 . 1 1 A 108 108 GLY CA C 170 44.290 45.035 -0.745 2
1 462 . 1 1 A 108 108 GLY N N 170 110.908 110.885 0.023 2
1 463 . 1 1 A 109 109 PRO C C 171 173.382 176.365 -2.983 2
1 464 . 1 1 A 109 109 PRO CA C 171 63.571 62.917 0.654 2
1 465 . 1 1 A 109 109 PRO CB C 171 30.912 31.941 -1.029 2
1 466 . 1 1 A 110 110 MET H H 172 8.068 8.465 -0.397 2
1 467 . 1 1 A 110 110 MET CA C 172 53.573 53.860 -0.287 2
1 468 . 1 1 A 110 110 MET CB C 172 33.670 32.639 1.031 2
1 469 . 1 1 A 110 110 MET N N 172 121.936 121.436 0.500 2
1 470 . 1 1 A 111 111 PRO C C 173 175.827 177.062 -1.235 2
1 471 . 1 1 A 111 111 PRO CA C 173 66.239 64.995 1.244 2
1 472 . 1 1 A 111 111 PRO CB C 173 30.913 31.771 -0.858 2
1 473 . 1 1 A 112 112 ASN H H 174 8.606 8.772 -0.166 2
1 474 . 1 1 A 112 112 ASN C C 174 174.208 176.439 -2.231 2
1 475 . 1 1 A 112 112 ASN CA C 174 53.442 53.665 -0.223 2
1 476 . 1 1 A 112 112 ASN CB C 174 36.332 37.808 -1.476 2
1 477 . 1 1 A 112 112 ASN N N 174 107.902 112.461 -4.559 2
1 478 . 1 1 A 113 113 THR H H 175 8.255 7.774 0.481 2
1 479 . 1 1 A 113 113 THR C C 175 172.489 175.624 -3.135 2
1 480 . 1 1 A 113 113 THR CA C 175 60.503 61.700 -1.197 2
1 481 . 1 1 A 113 113 THR CB C 175 69.256 69.543 -0.287 2
1 482 . 1 1 A 113 113 THR N N 175 111.022 111.286 -0.264 2
1 483 . 1 1 A 114 114 VAL H H 176 7.106 7.540 -0.434 2
1 484 . 1 1 A 114 114 VAL C C 176 175.619 178.046 -2.427 2
1 485 . 1 1 A 114 114 VAL CA C 176 67.572 66.861 0.711 2
1 486 . 1 1 A 114 114 VAL CB C 176 31.454 31.561 -0.107 2
1 487 . 1 1 A 114 114 VAL N N 176 123.952 122.485 1.467 2
1 488 . 1 1 A 115 115 SER H H 177 8.316 8.044 0.272 2
1 489 . 1 1 A 115 115 SER C C 177 175.355 176.316 -0.961 2
1 490 . 1 1 A 115 115 SER CA C 177 62.884 62.426 0.458 2
1 491 . 1 1 A 115 115 SER CB C 177 61.726 63.219 -1.493 2
1 492 . 1 1 A 115 115 SER N N 177 113.930 115.688 -1.758 2
1 493 . 1 1 A 116 116 ASP H H 178 7.405 8.153 -0.748 2
1 494 . 1 1 A 116 116 ASP C C 178 174.763 178.831 -4.068 2
1 495 . 1 1 A 116 116 ASP CA C 178 57.167 57.376 -0.209 2
1 496 . 1 1 A 116 116 ASP CB C 178 40.010 40.277 -0.267 2
1 497 . 1 1 A 116 116 ASP N N 178 122.612 122.842 -0.230 2
1 498 . 1 1 A 117 117 PHE H H 179 8.224 7.925 0.299 2
1 499 . 1 1 A 117 117 PHE C C 179 175.414 176.878 -1.464 2
1 500 . 1 1 A 117 117 PHE CA C 179 61.890 61.173 0.717 2
1 501 . 1 1 A 117 117 PHE CB C 179 37.541 38.467 -0.926 2
1 502 . 1 1 A 117 117 PHE N N 179 120.740 121.794 -1.054 2
1 503 . 1 1 A 118 118 TRP H H 180 7.927 7.885 0.042 2
1 504 . 1 1 A 118 118 TRP C C 180 178.398 178.282 0.116 2
1 505 . 1 1 A 118 118 TRP CA C 180 59.776 60.298 -0.522 2
1 506 . 1 1 A 118 118 TRP CB C 180 29.527 29.404 0.123 2
1 507 . 1 1 A 118 118 TRP N N 180 119.147 118.649 0.498 2
1 508 . 1 1 A 119 119 GLU H H 181 9.243 8.217 1.026 2
1 509 . 1 1 A 119 119 GLU C C 181 171.388 178.505 -7.117 2
1 510 . 1 1 A 119 119 GLU CA C 181 59.025 59.841 -0.816 2
1 511 . 1 1 A 119 119 GLU CB C 181 30.094 29.523 0.571 2
1 512 . 1 1 A 119 119 GLU N N 181 121.188 119.266 1.922 2
1 513 . 1 1 A 120 120 MET H H 182 9.117 7.939 1.178 2
1 514 . 1 1 A 120 120 MET C C 182 172.588 177.904 -5.316 2
1 515 . 1 1 A 120 120 MET CA C 182 53.501 58.522 -5.021 2
1 516 . 1 1 A 120 120 MET CB C 182 31.186 31.999 -0.813 2
1 517 . 1 1 A 120 120 MET N N 182 128.611 119.238 9.373 2
1 518 . 1 1 A 121 121 VAL H H 183 8.305 8.151 0.154 2
1 519 . 1 1 A 121 121 VAL C C 183 167.922 178.371 -10.449 2
1 520 . 1 1 A 121 121 VAL CA C 183 56.223 66.090 -9.867 2
1 521 . 1 1 A 121 121 VAL CB C 183 38.350 31.435 6.915 2
1 522 . 1 1 A 121 121 VAL N N 183 127.340 118.445 8.895 2
1 523 . 1 1 A 122 122 TRP H H 184 6.075 8.083 -2.008 2
1 524 . 1 1 A 122 122 TRP C C 184 175.544 178.262 -2.718 2
1 525 . 1 1 A 122 122 TRP CA C 184 53.572 60.707 -7.135 2
1 526 . 1 1 A 122 122 TRP CB C 184 28.986 29.593 -0.607 2
1 527 . 1 1 A 122 122 TRP N N 184 118.525 121.458 -2.933 2
1 528 . 1 1 A 123 123 GLN H H 185 9.104 8.542 0.562 2
1 529 . 1 1 A 123 123 GLN N N 185 115.652 117.779 -2.127 2
1 530 . 1 1 A 126 126 VAL C C 188 174.435 176.674 -2.239 2
1 531 . 1 1 A 126 126 VAL CA C 188 62.970 63.735 -0.765 2
1 532 . 1 1 A 126 126 VAL CB C 188 32.162 31.888 0.274 2
1 533 . 1 1 A 127 127 SER H H 189 9.612 8.969 0.643 2
1 534 . 1 1 A 127 127 SER C C 189 172.085 174.188 -2.103 2
1 535 . 1 1 A 127 127 SER CA C 189 58.306 57.411 0.895 2
1 536 . 1 1 A 127 127 SER CB C 189 65.320 64.392 0.928 2
1 537 . 1 1 A 127 127 SER N N 189 121.082 119.494 1.588 2
1 538 . 1 1 A 128 128 LEU H H 190 8.087 7.464 0.623 2
1 539 . 1 1 A 128 128 LEU CA C 190 54.632 54.540 0.092 2
1 540 . 1 1 A 128 128 LEU CB C 190 44.771 45.807 -1.036 2
1 541 . 1 1 A 128 128 LEU N N 190 130.076 122.284 7.792 2
1 542 . 1 1 A 131 131 MET C C 193 173.786 174.315 -0.529 2
1 543 . 1 1 A 131 131 MET CA C 193 53.879 53.804 0.075 2
1 544 . 1 1 A 131 131 MET CB C 193 32.709 35.404 -2.695 2
1 545 . 1 1 A 132 132 LEU H H 194 8.050 9.153 -1.103 2
1 546 . 1 1 A 132 132 LEU C C 194 173.695 175.673 -1.978 2
1 547 . 1 1 A 132 132 LEU CA C 194 54.069 53.191 0.878 2
1 548 . 1 1 A 132 132 LEU CB C 194 42.104 42.742 -0.638 2
1 549 . 1 1 A 132 132 LEU N N 194 124.788 128.053 -3.265 2
1 550 . 1 1 A 133 133 THR H H 195 7.263 8.795 -1.532 2
1 551 . 1 1 A 133 133 THR C C 195 169.890 171.881 -1.991 2
1 552 . 1 1 A 133 133 THR CA C 195 59.711 59.875 -0.164 2
1 553 . 1 1 A 133 133 THR CB C 195 70.606 70.314 0.292 2
1 554 . 1 1 A 133 133 THR N N 195 113.135 117.732 -4.597 2
1 555 . 1 1 A 134 134 GLN H H 196 8.472 8.686 -0.214 2
1 556 . 1 1 A 134 134 GLN C C 196 175.861 174.979 0.882 2
1 557 . 1 1 A 134 134 GLN CA C 196 54.700 54.452 0.248 2
1 558 . 1 1 A 134 134 GLN CB C 196 30.622 32.586 -1.964 2
1 559 . 1 1 A 134 134 GLN N N 196 118.042 123.818 -5.776 2
1 560 . 1 1 A 135 135 LEU H H 197 8.684 8.425 0.259 2
1 561 . 1 1 A 135 135 LEU C C 197 176.874 177.098 -0.224 2
1 562 . 1 1 A 135 135 LEU CA C 197 57.193 55.082 2.111 2
1 563 . 1 1 A 135 135 LEU CB C 197 40.209 42.819 -2.610 2
1 564 . 1 1 A 135 135 LEU N N 197 123.814 127.381 -3.567 2
1 598 . 1 1 A 144 144 HIS H H 206 9.181 8.901 0.280 2
1 599 . 1 1 A 144 144 HIS C C 206 172.787 175.015 -2.228 2
1 600 . 1 1 A 144 144 HIS CA C 206 54.956 54.995 -0.039 2
1 601 . 1 1 A 144 144 HIS CB C 206 34.986 29.171 5.815 2
1 602 . 1 1 A 144 144 HIS N N 206 126.444 124.634 1.810 2
1 603 . 1 1 A 145 145 TYR H H 207 6.170 8.352 -2.182 2
1 604 . 1 1 A 145 145 TYR C C 207 172.399 174.105 -1.706 2
1 605 . 1 1 A 145 145 TYR CA C 207 56.177 57.601 -1.424 2
1 606 . 1 1 A 145 145 TYR CB C 207 38.335 39.192 -0.857 2
1 607 . 1 1 A 145 145 TYR N N 207 120.897 120.336 0.561 2
1 608 . 1 1 A 146 146 TRP H H 208 8.635 7.386 1.249 2
1 609 . 1 1 A 146 146 TRP CA C 208 57.464 55.163 2.301 2
1 610 . 1 1 A 146 146 TRP CB C 208 24.743 31.355 -6.612 2
1 611 . 1 1 A 146 146 TRP N N 208 124.458 118.091 6.367 2
1 612 . 1 1 A 147 147 PRO C C 209 174.974 176.719 -1.745 2
1 613 . 1 1 A 147 147 PRO CA C 209 61.916 62.130 -0.214 2
1 614 . 1 1 A 147 147 PRO CB C 209 32.078 33.344 -1.266 2
1 615 . 1 1 A 148 148 THR H H 210 8.228 8.515 -0.287 2
1 616 . 1 1 A 148 148 THR C C 210 173.928 175.182 -1.254 2
1 617 . 1 1 A 148 148 THR CA C 210 64.719 64.979 -0.260 2
1 618 . 1 1 A 148 148 THR CB C 210 68.071 68.788 -0.717 2
1 619 . 1 1 A 148 148 THR N N 210 113.285 115.723 -2.438 2
1 620 . 1 1 A 149 149 GLU H H 211 7.992 8.253 -0.261 2
1 621 . 1 1 A 149 149 GLU C C 211 171.738 175.826 -4.088 2
1 622 . 1 1 A 149 149 GLU CA C 211 58.721 58.057 0.664 2
1 623 . 1 1 A 149 149 GLU CB C 211 31.002 32.554 -1.552 2
1 624 . 1 1 A 149 149 GLU N N 211 121.345 119.264 2.081 2
1 625 . 1 1 A 150 150 GLU H H 212 7.928 8.079 -0.151 2
1 626 . 1 1 A 150 150 GLU C C 212 172.706 174.668 -1.962 2
1 627 . 1 1 A 150 150 GLU CA C 212 55.011 55.145 -0.134 2
1 628 . 1 1 A 150 150 GLU CB C 212 31.335 33.315 -1.980 2
1 629 . 1 1 A 150 150 GLU N N 212 119.286 115.078 4.208 2
1 630 . 1 1 A 151 151 GLU H H 213 8.691 8.792 -0.101 2
1 631 . 1 1 A 151 151 GLU C C 213 175.862 173.729 2.133 2
1 632 . 1 1 A 151 151 GLU CA C 213 54.897 54.939 -0.042 2
1 633 . 1 1 A 151 151 GLU CB C 213 33.246 32.711 0.535 2
1 634 . 1 1 A 151 151 GLU N N 213 123.939 118.569 5.370 2
1 635 . 1 1 A 152 152 THR H H 214 8.497 8.626 -0.129 2
1 636 . 1 1 A 152 152 THR C C 214 172.122 173.321 -1.199 2
1 637 . 1 1 A 152 152 THR CA C 214 60.949 60.058 0.891 2
1 638 . 1 1 A 152 152 THR CB C 214 69.769 70.429 -0.660 2
1 639 . 1 1 A 152 152 THR N N 214 118.914 111.989 6.925 2
1 640 . 1 1 A 153 153 TYR H H 215 8.882 8.783 0.099 2
1 641 . 1 1 A 153 153 TYR C C 215 173.997 175.966 -1.969 2
1 642 . 1 1 A 153 153 TYR CA C 215 55.457 56.413 -0.956 2
1 643 . 1 1 A 153 153 TYR CB C 215 39.231 40.524 -1.293 2
1 644 . 1 1 A 153 153 TYR N N 215 126.779 121.757 5.022 2
1 645 . 1 1 A 154 154 GLY H H 216 8.857 8.911 -0.054 2
1 646 . 1 1 A 154 154 GLY CA C 216 44.399 46.106 -1.707 2
1 647 . 1 1 A 154 154 GLY N N 216 115.714 115.202 0.512 2
1 648 . 1 1 A 155 155 PRO C C 217 176.966 175.887 1.079 2
1 649 . 1 1 A 155 155 PRO CA C 217 65.525 63.339 2.186 2
1 650 . 1 1 A 155 155 PRO CB C 217 31.770 32.210 -0.440 2
1 651 . 1 1 A 156 156 PHE H H 218 7.280 7.224 0.056 2
1 652 . 1 1 A 156 156 PHE C C 218 173.247 174.484 -1.237 2
1 653 . 1 1 A 156 156 PHE CA C 218 57.126 57.107 0.019 2
1 654 . 1 1 A 156 156 PHE CB C 218 40.434 41.572 -1.138 2
1 655 . 1 1 A 156 156 PHE N N 218 117.731 119.727 -1.996 2
1 656 . 1 1 A 157 157 GLN H H 219 8.539 8.918 -0.379 2
1 657 . 1 1 A 157 157 GLN C C 219 173.982 174.607 -0.625 2
1 658 . 1 1 A 157 157 GLN CA C 219 54.943 54.277 0.666 2
1 659 . 1 1 A 157 157 GLN CB C 219 30.203 31.200 -0.997 2
1 660 . 1 1 A 157 157 GLN N N 219 122.177 123.381 -1.204 2
1 661 . 1 1 A 158 158 ILE H H 220 9.005 9.060 -0.055 2
1 662 . 1 1 A 158 158 ILE C C 220 172.282 175.348 -3.066 2
1 663 . 1 1 A 158 158 ILE CA C 220 59.443 59.722 -0.279 2
1 664 . 1 1 A 158 158 ILE CB C 220 38.416 40.325 -1.909 2
1 665 . 1 1 A 158 158 ILE N N 220 127.461 126.711 0.750 2
1 666 . 1 1 A 159 159 ARG H H 221 8.566 8.940 -0.374 2
1 667 . 1 1 A 159 159 ARG C C 221 173.861 174.372 -0.511 2
1 668 . 1 1 A 159 159 ARG CA C 221 53.502 54.485 -0.983 2
1 669 . 1 1 A 159 159 ARG CB C 221 33.856 33.736 0.120 2
1 670 . 1 1 A 159 159 ARG N N 221 125.309 125.466 -0.157 2
1 671 . 1 1 A 160 160 ILE H H 222 8.221 8.783 -0.562 2
1 672 . 1 1 A 160 160 ILE C C 222 173.688 175.065 -1.377 2
1 673 . 1 1 A 160 160 ILE CA C 222 59.425 60.978 -1.553 2
1 674 . 1 1 A 160 160 ILE CB C 222 36.653 39.429 -2.776 2
1 675 . 1 1 A 160 160 ILE N N 222 122.230 126.284 -4.054 2
1 676 . 1 1 A 161 161 GLN H H 223 9.375 8.773 0.602 2
1 677 . 1 1 A 161 161 GLN C C 223 174.670 175.442 -0.772 2
1 678 . 1 1 A 161 161 GLN CA C 223 56.177 57.192 -1.015 2
1 679 . 1 1 A 161 161 GLN CB C 223 29.481 30.741 -1.260 2
1 680 . 1 1 A 161 161 GLN N N 223 128.006 125.560 2.446 2
1 681 . 1 1 A 162 162 ASP H H 224 8.357 7.745 0.612 2
1 682 . 1 1 A 162 162 ASP C C 224 172.459 173.531 -1.072 2
1 683 . 1 1 A 162 162 ASP CA C 224 59.717 54.092 5.625 2
1 684 . 1 1 A 162 162 ASP N N 224 122.544 117.584 4.960 2
1 685 . 1 1 A 163 163 MET H H 225 8.489 8.776 -0.287 2
1 686 . 1 1 A 163 163 MET C C 225 170.593 174.400 -3.807 2
1 687 . 1 1 A 163 163 MET CA C 225 54.639 54.404 0.235 2
1 688 . 1 1 A 163 163 MET CB C 225 34.238 35.646 -1.408 2
1 689 . 1 1 A 163 163 MET N N 225 119.861 123.912 -4.051 2
1 690 . 1 1 A 164 164 LYS H H 226 6.597 8.869 -2.272 2
1 691 . 1 1 A 164 164 LYS C C 226 174.530 175.115 -0.585 2
1 692 . 1 1 A 164 164 LYS CA C 226 56.753 54.439 2.314 2
1 693 . 1 1 A 164 164 LYS CB C 226 29.047 35.209 -6.162 2
1 694 . 1 1 A 164 164 LYS N N 226 118.278 125.968 -7.690 2
1 695 . 1 1 A 165 165 GLU H H 227 7.914 8.941 -1.027 2
1 696 . 1 1 A 165 165 GLU C C 227 174.671 176.126 -1.455 2
1 697 . 1 1 A 165 165 GLU CA C 227 56.665 55.839 0.826 2
1 698 . 1 1 A 165 165 GLU CB C 227 29.622 30.692 -1.070 2
1 699 . 1 1 A 165 165 GLU N N 227 121.425 125.671 -4.246 2
1 700 . 1 1 A 166 166 CYS H H 228 8.358 8.735 -0.377 2
1 701 . 1 1 A 166 166 CYS CA C 228 53.796 56.659 -2.863 2
1 702 . 1 1 A 166 166 CYS CB C 228 29.194 30.410 -1.216 2
1 703 . 1 1 A 166 166 CYS N N 228 123.018 123.206 -0.188 2
1 704 . 1 1 A 167 167 PRO C C 229 176.484 176.919 -0.435 2
1 705 . 1 1 A 167 167 PRO CA C 229 65.864 63.742 2.122 2
1 706 . 1 1 A 167 167 PRO CB C 229 30.978 31.286 -0.308 2
1 707 . 1 1 A 168 168 GLU H H 230 7.901 8.677 -0.776 2
1 708 . 1 1 A 168 168 GLU C C 230 173.354 174.758 -1.404 2
1 709 . 1 1 A 168 168 GLU CA C 230 56.516 58.498 -1.982 2
1 710 . 1 1 A 168 168 GLU CB C 230 29.985 27.653 2.332 2
1 711 . 1 1 A 168 168 GLU N N 230 111.602 116.375 -4.773 2
1 712 . 1 1 A 169 169 TYR H H 231 6.748 7.460 -0.712 2
1 713 . 1 1 A 169 169 TYR C C 231 172.021 172.962 -0.941 2
1 714 . 1 1 A 169 169 TYR CA C 231 55.837 56.059 -0.222 2
1 715 . 1 1 A 169 169 TYR CB C 231 39.697 42.182 -2.485 2
1 716 . 1 1 A 169 169 TYR N N 231 112.114 117.440 -5.326 2
1 717 . 1 1 A 170 170 THR H H 232 8.731 8.763 -0.032 2
1 718 . 1 1 A 170 170 THR C C 232 173.120 173.615 -0.495 2
1 719 . 1 1 A 170 170 THR CA C 232 61.414 61.588 -0.174 2
1 720 . 1 1 A 170 170 THR CB C 232 70.929 70.323 0.606 2
1 721 . 1 1 A 170 170 THR N N 232 115.739 116.389 -0.650 2
1 722 . 1 1 A 171 171 VAL H H 233 7.872 9.182 -1.310 2
1 723 . 1 1 A 171 171 VAL C C 233 176.362 175.118 1.244 2
1 724 . 1 1 A 171 171 VAL CA C 233 59.615 61.564 -1.949 2
1 725 . 1 1 A 171 171 VAL CB C 233 29.087 32.594 -3.507 2
1 726 . 1 1 A 171 171 VAL N N 233 118.361 128.163 -9.802 2
1 727 . 1 1 A 172 172 ARG H H 234 8.622 8.953 -0.331 2
1 728 . 1 1 A 172 172 ARG C C 234 171.335 174.587 -3.252 2
1 729 . 1 1 A 172 172 ARG CA C 234 59.696 54.915 4.781 2
1 730 . 1 1 A 172 172 ARG CB C 234 28.299 31.609 -3.310 2
1 731 . 1 1 A 172 172 ARG N N 234 120.570 127.817 -7.247 2
1 732 . 1 1 A 173 173 GLN H H 235 7.540 8.935 -1.395 2
1 733 . 1 1 A 173 173 GLN CA C 235 60.642 55.187 5.455 2
1 734 . 1 1 A 173 173 GLN CB C 235 32.272 30.005 2.267 2
1 735 . 1 1 A 173 173 GLN N N 235 121.474 125.047 -3.573 2
1 736 . 1 1 A 179 179 GLN C C 241 174.662 175.418 -0.756 2
1 737 . 1 1 A 179 179 GLN CA C 241 57.689 57.850 -0.161 2
1 738 . 1 1 A 180 180 GLU H H 242 8.368 8.540 -0.172 2
1 739 . 1 1 A 180 180 GLU C C 242 174.259 174.758 -0.499 2
1 740 . 1 1 A 180 180 GLU CA C 242 56.410 56.193 0.217 2
1 741 . 1 1 A 180 180 GLU CB C 242 28.758 30.072 -1.314 2
1 742 . 1 1 A 180 180 GLU N N 242 120.562 123.426 -2.864 2
1 743 . 1 1 A 181 181 GLU H H 243 8.396 7.832 0.564 2
1 744 . 1 1 A 181 181 GLU C C 243 172.911 175.094 -2.183 2
1 745 . 1 1 A 181 181 GLU CA C 243 56.112 55.111 1.001 2
1 746 . 1 1 A 181 181 GLU CB C 243 31.182 34.588 -3.406 2
1 747 . 1 1 A 181 181 GLU N N 243 123.872 117.297 6.575 2
1 748 . 1 1 A 182 182 ARG H H 244 8.590 8.771 -0.181 2
1 749 . 1 1 A 182 182 ARG C C 244 174.172 174.574 -0.402 2
1 750 . 1 1 A 182 182 ARG CA C 244 54.641 54.682 -0.041 2
1 751 . 1 1 A 182 182 ARG CB C 244 32.733 33.857 -1.124 2
1 752 . 1 1 A 182 182 ARG N N 244 124.517 123.919 0.598 2
1 753 . 1 1 A 183 183 ARG H H 245 9.287 8.926 0.361 2
1 754 . 1 1 A 183 183 ARG C C 245 173.529 175.498 -1.969 2
1 755 . 1 1 A 183 183 ARG CA C 245 54.256 54.267 -0.011 2
1 756 . 1 1 A 183 183 ARG CB C 245 34.114 34.002 0.112 2
1 757 . 1 1 A 183 183 ARG N N 245 123.507 126.783 -3.276 2
1 758 . 1 1 A 184 184 SER H H 246 8.529 8.705 -0.176 2
1 759 . 1 1 A 184 184 SER C C 246 172.737 173.866 -1.129 2
1 760 . 1 1 A 184 184 SER CA C 246 57.452 56.991 0.461 2
1 761 . 1 1 A 184 184 SER CB C 246 64.207 64.530 -0.323 2
1 762 . 1 1 A 184 184 SER N N 246 116.905 117.340 -0.435 2
1 763 . 1 1 A 185 185 VAL H H 247 8.917 8.844 0.073 2
1 764 . 1 1 A 185 185 VAL C C 247 175.524 174.002 1.522 2
1 765 . 1 1 A 185 185 VAL CA C 247 62.703 60.870 1.833 2
1 766 . 1 1 A 185 185 VAL CB C 247 31.290 35.139 -3.849 2
1 767 . 1 1 A 185 185 VAL N N 247 125.809 123.492 2.317 2
1 768 . 1 1 A 186 186 LYS H H 248 8.584 8.820 -0.236 2
1 769 . 1 1 A 186 186 LYS C C 248 173.571 174.941 -1.370 2
1 770 . 1 1 A 186 186 LYS CA C 248 56.633 55.203 1.430 2
1 771 . 1 1 A 186 186 LYS CB C 248 29.470 34.001 -4.531 2
1 772 . 1 1 A 186 186 LYS N N 248 122.934 127.701 -4.767 2
1 773 . 1 1 A 187 187 HIS H H 249 7.816 8.735 -0.919 2
1 774 . 1 1 A 187 187 HIS CA C 249 53.293 53.669 -0.376 2
1 775 . 1 1 A 187 187 HIS CB C 249 31.148 32.782 -1.634 2
1 776 . 1 1 A 187 187 HIS N N 249 120.787 126.624 -5.837 2
1 777 . 1 1 A 188 188 ILE C C 250 174.467 173.709 0.758 2
1 778 . 1 1 A 188 188 ILE CA C 250 62.555 59.903 2.652 2
1 779 . 1 1 A 188 188 ILE CB C 250 31.540 40.458 -8.918 2
1 780 . 1 1 A 189 189 LEU H H 251 8.297 8.990 -0.693 2
1 781 . 1 1 A 189 189 LEU C C 251 173.497 175.152 -1.655 2
1 782 . 1 1 A 189 189 LEU CA C 251 62.414 53.041 9.373 2
1 783 . 1 1 A 189 189 LEU CB C 251 40.480 44.279 -3.799 2
1 784 . 1 1 A 189 189 LEU N N 251 120.333 129.875 -9.542 2
1 785 . 1 1 A 190 190 PHE H H 252 7.702 8.972 -1.270 2
1 786 . 1 1 A 190 190 PHE C C 252 172.632 176.119 -3.487 2
1 787 . 1 1 A 190 190 PHE CA C 252 56.776 57.214 -0.438 2
1 788 . 1 1 A 190 190 PHE CB C 252 40.486 39.510 0.976 2
1 789 . 1 1 A 190 190 PHE N N 252 118.483 129.506 -11.023 2
1 790 . 1 1 A 191 191 SER H H 253 8.257 8.695 -0.438 2
1 791 . 1 1 A 191 191 SER C C 253 172.323 174.712 -2.389 2
1 792 . 1 1 A 191 191 SER CA C 253 57.727 57.434 0.293 2
1 793 . 1 1 A 191 191 SER CB C 253 63.646 64.186 -0.540 2
1 794 . 1 1 A 191 191 SER N N 253 122.170 120.034 2.136 2
1 795 . 1 1 A 192 192 ALA H H 254 5.452 7.963 -2.511 2
1 796 . 1 1 A 192 192 ALA C C 254 173.857 176.047 -2.190 2
1 797 . 1 1 A 192 192 ALA CA C 254 50.609 51.087 -0.478 2
1 798 . 1 1 A 192 192 ALA CB C 254 18.872 19.076 -0.204 2
1 799 . 1 1 A 192 192 ALA N N 254 121.315 123.522 -2.207 2
1 800 . 1 1 A 193 193 TRP H H 255 8.071 7.684 0.387 2
1 801 . 1 1 A 193 193 TRP CA C 255 55.653 55.308 0.345 2
1 802 . 1 1 A 193 193 TRP CB C 255 28.413 31.350 -2.937 2
1 803 . 1 1 A 193 193 TRP N N 255 124.677 121.775 2.902 2
1 804 . 1 1 A 194 194 PRO C C 256 171.007 176.603 -5.596 2
1 805 . 1 1 A 194 194 PRO CA C 256 60.735 62.941 -2.206 2
1 806 . 1 1 A 194 194 PRO CB C 256 33.765 32.073 1.692 2
1 807 . 1 1 A 195 195 ASP H H 257 8.606 8.529 0.077 2
1 808 . 1 1 A 195 195 ASP C C 257 173.054 176.762 -3.708 2
1 809 . 1 1 A 195 195 ASP CA C 257 55.104 54.870 0.234 2
1 810 . 1 1 A 195 195 ASP CB C 257 34.953 40.371 -5.418 2
1 811 . 1 1 A 195 195 ASP N N 257 129.936 122.628 7.308 2
1 812 . 1 1 A 196 196 HIS H H 258 9.018 8.593 0.425 2
1 813 . 1 1 A 196 196 HIS C C 258 173.785 173.901 -0.116 2
1 814 . 1 1 A 196 196 HIS CA C 258 55.937 57.495 -1.558 2
1 815 . 1 1 A 196 196 HIS CB C 258 30.510 27.080 3.430 2
1 816 . 1 1 A 196 196 HIS N N 258 127.218 117.435 9.783 2
1 817 . 1 1 A 197 197 GLN H H 259 8.174 7.585 0.589 2
1 818 . 1 1 A 197 197 GLN C C 259 173.141 174.058 -0.917 2
1 819 . 1 1 A 197 197 GLN CA C 259 55.806 54.255 1.551 2
1 820 . 1 1 A 197 197 GLN CB C 259 27.624 31.425 -3.801 2
1 821 . 1 1 A 197 197 GLN N N 259 124.124 117.257 6.867 2
1 822 . 1 1 A 198 198 THR H H 260 7.632 8.794 -1.162 2
1 823 . 1 1 A 198 198 THR CA C 260 58.894 58.004 0.890 2
1 824 . 1 1 A 198 198 THR CB C 260 68.684 69.857 -1.173 2
1 825 . 1 1 A 198 198 THR N N 260 115.135 112.176 2.959 2
1 826 . 1 1 A 199 199 PRO C C 261 176.579 176.911 -0.332 2
1 827 . 1 1 A 199 199 PRO CA C 261 65.355 62.368 2.987 2
1 828 . 1 1 A 200 200 GLU H H 262 8.441 9.120 -0.679 2
1 829 . 1 1 A 200 200 GLU C C 262 176.427 176.537 -0.110 2
1 830 . 1 1 A 200 200 GLU CA C 262 58.148 58.793 -0.645 2
1 831 . 1 1 A 200 200 GLU CB C 262 28.114 31.231 -3.117 2
1 832 . 1 1 A 200 200 GLU N N 262 115.763 120.432 -4.669 2
1 833 . 1 1 A 201 201 SER H H 263 7.896 7.994 -0.098 2
1 834 . 1 1 A 201 201 SER CA C 263 58.992 56.797 2.195 2
1 835 . 1 1 A 201 201 SER CB C 263 63.747 66.099 -2.352 2
1 836 . 1 1 A 201 201 SER N N 263 115.882 112.390 3.492 2
1 837 . 1 1 A 202 202 ALA C C 264 176.476 178.993 -2.517 2
1 838 . 1 1 A 202 202 ALA CA C 264 53.495 52.498 0.997 2
1 839 . 1 1 A 202 202 ALA CB C 264 20.126 19.781 0.345 2
1 840 . 1 1 A 203 203 GLY H H 265 8.037 8.383 -0.346 2
1 841 . 1 1 A 203 203 GLY CA C 265 48.105 48.233 -0.128 2
1 842 . 1 1 A 203 203 GLY N N 265 105.324 106.571 -1.247 2
1 843 . 1 1 A 205 205 LEU C C 267 173.424 178.494 -5.070 2
1 844 . 1 1 A 205 205 LEU CA C 267 53.247 57.413 -4.166 2
1 845 . 1 1 A 205 205 LEU CB C 267 39.045 41.583 -2.538 2
1 846 . 1 1 A 206 206 LEU H H 268 7.488 8.175 -0.687 2
1 847 . 1 1 A 206 206 LEU C C 268 179.145 178.976 0.169 2
1 848 . 1 1 A 206 206 LEU CA C 268 57.480 57.826 -0.346 2
1 849 . 1 1 A 206 206 LEU CB C 268 39.639 41.404 -1.765 2
1 850 . 1 1 A 206 206 LEU N N 268 120.281 118.405 1.876 2
1 851 . 1 1 A 207 207 ARG H H 269 8.084 8.212 -0.128 2
1 852 . 1 1 A 207 207 ARG C C 269 177.396 179.097 -1.701 2
1 853 . 1 1 A 207 207 ARG CA C 269 59.488 59.439 0.049 2
1 854 . 1 1 A 207 207 ARG CB C 269 29.373 30.201 -0.828 2
1 855 . 1 1 A 207 207 ARG N N 269 121.182 119.407 1.775 2
1 856 . 1 1 A 208 208 LEU H H 270 7.933 7.650 0.283 2
1 857 . 1 1 A 208 208 LEU C C 270 176.542 178.625 -2.083 2
1 858 . 1 1 A 208 208 LEU CA C 270 57.524 57.948 -0.424 2
1 859 . 1 1 A 208 208 LEU CB C 270 39.505 41.658 -2.153 2
1 860 . 1 1 A 208 208 LEU N N 270 123.439 121.810 1.629 2
1 861 . 1 1 A 209 209 VAL H H 271 8.026 8.339 -0.313 2
1 862 . 1 1 A 209 209 VAL C C 271 176.131 178.294 -2.163 2
1 863 . 1 1 A 209 209 VAL CA C 271 67.122 66.517 0.605 2
1 864 . 1 1 A 209 209 VAL CB C 271 30.318 31.486 -1.168 2
1 865 . 1 1 A 209 209 VAL N N 271 118.746 119.158 -0.412 2
1 866 . 1 1 A 210 210 ALA H H 272 7.788 8.125 -0.337 2
1 867 . 1 1 A 210 210 ALA C C 272 177.862 180.126 -2.264 2
1 868 . 1 1 A 210 210 ALA CA C 272 54.871 55.199 -0.328 2
1 869 . 1 1 A 210 210 ALA CB C 272 17.214 18.232 -1.018 2
1 870 . 1 1 A 210 210 ALA N N 272 121.364 122.050 -0.686 2
1 871 . 1 1 A 211 211 GLU H H 273 7.713 7.957 -0.244 2
1 872 . 1 1 A 211 211 GLU C C 273 177.453 178.956 -1.503 2
1 873 . 1 1 A 211 211 GLU CA C 273 57.991 58.993 -1.002 2
1 874 . 1 1 A 211 211 GLU CB C 273 28.002 29.424 -1.422 2
1 875 . 1 1 A 211 211 GLU N N 273 119.757 119.491 0.266 2
1 876 . 1 1 A 212 212 VAL H H 274 7.624 7.916 -0.292 2
1 877 . 1 1 A 212 212 VAL C C 274 175.829 176.472 -0.643 2
1 878 . 1 1 A 212 212 VAL CA C 274 64.975 65.751 -0.776 2
1 879 . 1 1 A 212 212 VAL CB C 274 30.491 31.648 -1.157 2
1 880 . 1 1 A 212 212 VAL N N 274 117.692 120.081 -2.389 2
1 881 . 1 1 A 213 213 GLU H H 275 8.144 7.562 0.582 2
1 882 . 1 1 A 213 213 GLU C C 275 176.063 175.280 0.783 2
1 883 . 1 1 A 213 213 GLU CA C 275 57.586 56.275 1.311 2
1 884 . 1 1 A 213 213 GLU CB C 275 29.148 28.847 0.301 2
1 885 . 1 1 A 213 213 GLU N N 275 120.743 117.434 3.309 2
1 927 . 1 1 A 224 224 PRO C C 286 177.688 175.713 1.975 2
1 928 . 1 1 A 224 224 PRO CA C 286 65.952 62.942 3.010 2
1 929 . 1 1 A 224 224 PRO CB C 286 31.043 32.253 -1.210 2
1 930 . 1 1 A 225 225 ILE H H 287 7.915 8.410 -0.495 2
1 931 . 1 1 A 225 225 ILE C C 287 177.413 175.972 1.441 2
1 932 . 1 1 A 225 225 ILE CA C 287 58.385 60.503 -2.118 2
1 933 . 1 1 A 225 225 ILE CB C 287 31.446 38.115 -6.669 2
1 934 . 1 1 A 225 225 ILE N N 287 117.140 122.669 -5.529 2
1 935 . 1 1 A 226 226 VAL H H 288 7.591 8.580 -0.989 2
1 936 . 1 1 A 226 226 VAL C C 288 173.850 175.444 -1.594 2
1 937 . 1 1 A 226 226 VAL CA C 288 58.540 62.864 -4.324 2
1 938 . 1 1 A 226 226 VAL CB C 288 27.725 31.639 -3.914 2
1 939 . 1 1 A 226 226 VAL N N 288 120.086 128.089 -8.003 2
1 940 . 1 1 A 227 227 VAL H H 289 8.269 8.556 -0.287 2
1 941 . 1 1 A 227 227 VAL C C 289 172.919 174.950 -2.031 2
1 942 . 1 1 A 227 227 VAL CA C 289 54.483 60.472 -5.989 2
1 943 . 1 1 A 227 227 VAL CB C 289 32.153 34.712 -2.559 2
1 944 . 1 1 A 227 227 VAL N N 289 119.721 127.777 -8.056 2
1 945 . 1 1 A 228 228 HIS H H 290 8.628 8.988 -0.360 2
1 946 . 1 1 A 228 228 HIS C C 290 173.297 172.743 0.554 2
1 947 . 1 1 A 228 228 HIS CA C 290 54.501 53.929 0.572 2
1 948 . 1 1 A 228 228 HIS CB C 290 28.425 32.927 -4.502 2
1 949 . 1 1 A 228 228 HIS N N 290 122.948 121.429 1.519 2
1 950 . 1 1 A 229 229 CYS H H 291 7.450 8.469 -1.019 2
1 951 . 1 1 A 229 229 CYS C C 291 173.262 174.762 -1.500 2
1 952 . 1 1 A 229 229 CYS CA C 291 56.845 57.333 -0.488 2
1 953 . 1 1 A 229 229 CYS CB C 291 25.976 30.566 -4.590 2
1 954 . 1 1 A 229 229 CYS N N 291 115.721 117.828 -2.107 2
1 955 . 1 1 A 230 230 SER H H 292 7.468 9.127 -1.659 2
1 956 . 1 1 A 230 230 SER CB C 292 69.178 63.471 5.707 2
1 957 . 1 1 A 230 230 SER N N 292 119.561 116.479 3.082 2
1 961 . 1 1 A 231 231 ALA C C 293 175.691 178.044 -2.353 2
1 962 . 1 1 A 231 231 ALA CA C 293 51.364 52.578 -1.214 2
1 963 . 1 1 A 232 232 GLY H H 294 8.715 7.895 0.820 2
1 964 . 1 1 A 232 232 GLY C C 294 172.792 174.713 -1.921 2
1 965 . 1 1 A 232 232 GLY CA C 294 47.087 46.033 1.054 2
1 966 . 1 1 A 232 232 GLY N N 294 111.188 105.637 5.551 2
1 967 . 1 1 A 233 233 ILE H H 295 7.108 7.614 -0.506 2
1 968 . 1 1 A 233 233 ILE CA C 295 61.234 61.753 -0.519 2
1 969 . 1 1 A 233 233 ILE CB C 295 40.650 39.943 0.707 2
1 970 . 1 1 A 233 233 ILE N N 295 106.138 116.547 -10.409 2
1 971 . 1 1 A 236 236 THR C C 298 174.552 176.846 -2.294 2
1 972 . 1 1 A 236 236 THR CA C 298 67.442 66.461 0.981 2
1 973 . 1 1 A 237 237 GLY H H 299 6.236 8.487 -2.251 2
1 974 . 1 1 A 237 237 GLY C C 299 173.002 176.531 -3.529 2
1 975 . 1 1 A 237 237 GLY CA C 299 47.928 47.547 0.381 2
1 976 . 1 1 A 237 237 GLY N N 299 105.608 107.744 -2.136 2
1 977 . 1 1 A 238 238 CYS H H 300 8.332 7.884 0.448 2
1 978 . 1 1 A 238 238 CYS C C 300 176.020 177.309 -1.289 2
1 979 . 1 1 A 238 238 CYS CA C 300 63.680 63.051 0.629 2
1 980 . 1 1 A 238 238 CYS CB C 300 27.314 27.904 -0.590 2
1 981 . 1 1 A 238 238 CYS N N 300 119.777 120.205 -0.428 2
1 982 . 1 1 A 239 239 PHE H H 301 8.801 8.084 0.717 2
1 983 . 1 1 A 239 239 PHE C C 301 173.295 176.728 -3.433 2
1 984 . 1 1 A 239 239 PHE CA C 301 62.328 61.395 0.933 2
1 985 . 1 1 A 239 239 PHE CB C 301 39.417 39.050 0.367 2
1 986 . 1 1 A 239 239 PHE N N 301 121.649 122.343 -0.694 2
1 987 . 1 1 A 240 240 ILE H H 302 7.733 8.061 -0.328 2
1 988 . 1 1 A 240 240 ILE C C 302 175.063 178.086 -3.023 2
1 989 . 1 1 A 240 240 ILE CA C 302 65.830 65.059 0.771 2
1 990 . 1 1 A 240 240 ILE CB C 302 36.980 37.914 -0.934 2
1 991 . 1 1 A 240 240 ILE N N 302 118.802 119.783 -0.981 2
1 992 . 1 1 A 241 241 ALA H H 303 8.443 8.111 0.332 2
1 993 . 1 1 A 241 241 ALA C C 303 177.650 180.038 -2.388 2
1 994 . 1 1 A 241 241 ALA CA C 303 54.630 54.890 -0.260 2
1 995 . 1 1 A 241 241 ALA CB C 303 18.874 18.067 0.807 2
1 996 . 1 1 A 241 241 ALA N N 303 117.642 121.626 -3.984 2
1 997 . 1 1 A 242 242 THR H H 304 7.463 7.808 -0.345 2
1 998 . 1 1 A 242 242 THR C C 304 173.560 176.206 -2.646 2
1 999 . 1 1 A 242 242 THR CA C 304 67.160 66.118 1.042 2
1 1000 . 1 1 A 242 242 THR CB C 304 68.384 67.953 0.431 2
1 1001 . 1 1 A 242 242 THR N N 304 113.937 113.932 0.005 2
1 1002 . 1 1 A 243 243 ARG H H 305 7.567 7.991 -0.424 2
1 1003 . 1 1 A 243 243 ARG C C 305 176.548 178.709 -2.161 2
1 1004 . 1 1 A 243 243 ARG CA C 305 61.239 59.278 1.961 2
1 1005 . 1 1 A 243 243 ARG CB C 305 27.703 29.497 -1.794 2
1 1006 . 1 1 A 243 243 ARG N N 305 123.170 119.922 3.248 2
1 1007 . 1 1 A 244 244 ILE H H 306 8.178 8.108 0.070 2
1 1008 . 1 1 A 244 244 ILE C C 306 177.152 177.863 -0.711 2
1 1009 . 1 1 A 244 244 ILE CA C 306 64.904 64.767 0.137 2
1 1010 . 1 1 A 244 244 ILE CB C 306 37.851 37.857 -0.006 2
1 1011 . 1 1 A 244 244 ILE N N 306 118.061 119.968 -1.907 2
1 1012 . 1 1 A 245 245 GLY H H 307 8.598 8.316 0.282 2
1 1013 . 1 1 A 245 245 GLY C C 307 174.025 175.914 -1.889 2
1 1014 . 1 1 A 245 245 GLY CA C 307 47.630 47.533 0.097 2
1 1015 . 1 1 A 245 245 GLY N N 307 108.957 107.522 1.435 2
1 1016 . 1 1 A 246 246 CYS H H 308 8.438 8.038 0.400 2
1 1017 . 1 1 A 246 246 CYS C C 308 175.272 177.151 -1.879 2
1 1018 . 1 1 A 246 246 CYS CA C 308 63.482 63.435 0.047 2
1 1019 . 1 1 A 246 246 CYS CB C 308 26.215 25.995 0.220 2
1 1020 . 1 1 A 246 246 CYS N N 308 122.310 119.398 2.912 2
1 1021 . 1 1 A 247 247 GLN H H 309 7.632 8.166 -0.534 2
1 1022 . 1 1 A 247 247 GLN C C 309 178.128 178.689 -0.561 2
1 1023 . 1 1 A 247 247 GLN CA C 309 58.873 58.879 -0.006 2
1 1024 . 1 1 A 247 247 GLN CB C 309 28.043 27.965 0.078 2
1 1025 . 1 1 A 247 247 GLN N N 309 119.584 119.207 0.377 2
1 1026 . 1 1 A 248 248 GLN H H 310 8.374 7.891 0.483 2
1 1027 . 1 1 A 248 248 GLN C C 310 176.707 178.999 -2.292 2
1 1028 . 1 1 A 248 248 GLN CA C 310 60.368 58.882 1.486 2
1 1029 . 1 1 A 248 248 GLN CB C 310 27.223 28.138 -0.915 2
1 1030 . 1 1 A 248 248 GLN N N 310 119.927 118.897 1.030 2
1 1031 . 1 1 A 249 249 LEU H H 311 8.352 8.269 0.083 2
1 1032 . 1 1 A 249 249 LEU C C 311 178.412 179.390 -0.978 2
1 1033 . 1 1 A 249 249 LEU CA C 311 58.293 57.998 0.295 2
1 1034 . 1 1 A 249 249 LEU CB C 311 41.752 41.269 0.483 2
1 1035 . 1 1 A 249 249 LEU N N 311 119.715 119.895 -0.180 2
1 1036 . 1 1 A 250 250 LYS H H 312 8.447 7.990 0.457 2
1 1037 . 1 1 A 250 250 LYS C C 312 175.860 178.866 -3.006 2
1 1038 . 1 1 A 250 250 LYS CA C 312 59.242 59.257 -0.015 2
1 1039 . 1 1 A 250 250 LYS CB C 312 31.758 32.288 -0.530 2
1 1040 . 1 1 A 250 250 LYS N N 312 119.549 120.992 -1.443 2
1 1041 . 1 1 A 251 251 ALA H H 313 7.712 7.835 -0.123 2
1 1042 . 1 1 A 251 251 ALA C C 313 178.584 179.163 -0.579 2
1 1043 . 1 1 A 251 251 ALA CA C 313 54.279 54.886 -0.607 2
1 1044 . 1 1 A 251 251 ALA CB C 313 19.615 18.825 0.790 2
1 1045 . 1 1 A 251 251 ALA N N 313 118.056 120.076 -2.020 2
1 1046 . 1 1 A 252 252 ARG H H 314 8.628 7.728 0.900 2
1 1047 . 1 1 A 252 252 ARG C C 314 175.943 176.852 -0.909 2
1 1048 . 1 1 A 252 252 ARG CA C 314 55.620 55.801 -0.181 2
1 1049 . 1 1 A 252 252 ARG CB C 314 32.184 32.317 -0.133 2
1 1050 . 1 1 A 252 252 ARG N N 314 112.783 115.467 -2.684 2
1 1051 . 1 1 A 253 253 GLY H H 315 8.106 8.622 -0.516 2
1 1052 . 1 1 A 253 253 GLY C C 315 171.194 173.502 -2.308 2
1 1053 . 1 1 A 253 253 GLY CA C 315 46.124 46.129 -0.005 2
1 1054 . 1 1 A 253 253 GLY N N 315 108.639 109.615 -0.976 2
1 1055 . 1 1 A 254 254 GLU H H 316 7.395 7.548 -0.153 2
1 1056 . 1 1 A 254 254 GLU C C 316 170.486 174.326 -3.840 2
1 1057 . 1 1 A 254 254 GLU CA C 316 53.896 54.616 -0.720 2
1 1058 . 1 1 A 254 254 GLU CB C 316 32.714 33.057 -0.343 2
1 1059 . 1 1 A 254 254 GLU N N 316 117.327 115.671 1.656 2
1 1060 . 1 1 A 255 255 VAL H H 317 8.994 8.676 0.318 2
1 1061 . 1 1 A 255 255 VAL C C 317 169.841 172.823 -2.982 2
1 1062 . 1 1 A 255 255 VAL CA C 317 58.049 59.638 -1.589 2
1 1063 . 1 1 A 255 255 VAL CB C 317 34.299 35.524 -1.225 2
1 1064 . 1 1 A 255 255 VAL N N 317 118.799 120.296 -1.497 2
1 1065 . 1 1 A 256 256 ASP H H 318 8.231 8.760 -0.529 2
1 1066 . 1 1 A 256 256 ASP C C 318 174.723 175.977 -1.254 2
1 1067 . 1 1 A 256 256 ASP CA C 318 51.040 52.314 -1.274 2
1 1068 . 1 1 A 256 256 ASP CB C 318 39.906 41.482 -1.576 2
1 1069 . 1 1 A 256 256 ASP N N 318 128.418 128.153 0.265 2
1 1070 . 1 1 A 257 257 ILE H H 319 7.829 8.470 -0.641 2
1 1071 . 1 1 A 257 257 ILE C C 319 175.742 177.747 -2.005 2
1 1072 . 1 1 A 257 257 ILE CA C 319 66.024 64.909 1.115 2
1 1073 . 1 1 A 257 257 ILE CB C 319 35.906 37.601 -1.695 2
1 1074 . 1 1 A 257 257 ILE N N 319 126.151 124.962 1.189 2
1 1075 . 1 1 A 258 258 LEU H H 320 9.268 8.185 1.083 2
1 1076 . 1 1 A 258 258 LEU C C 320 177.606 178.662 -1.056 2
1 1077 . 1 1 A 258 258 LEU CA C 320 58.379 58.478 -0.099 2
1 1078 . 1 1 A 258 258 LEU CB C 320 40.468 42.107 -1.639 2
1 1079 . 1 1 A 258 258 LEU N N 320 124.080 121.915 2.165 2
1 1080 . 1 1 A 259 259 GLY H H 321 8.402 8.246 0.156 2
1 1081 . 1 1 A 259 259 GLY C C 321 174.939 176.021 -1.082 2
1 1082 . 1 1 A 259 259 GLY CA C 321 46.972 47.419 -0.447 2
1 1083 . 1 1 A 259 259 GLY N N 321 106.968 105.848 1.120 2
1 1084 . 1 1 A 260 260 ILE H H 322 8.328 7.964 0.364 2
1 1085 . 1 1 A 260 260 ILE C C 322 176.715 178.405 -1.690 2
1 1086 . 1 1 A 260 260 ILE CA C 322 65.500 64.859 0.641 2
1 1087 . 1 1 A 260 260 ILE CB C 322 37.580 37.821 -0.241 2
1 1088 . 1 1 A 260 260 ILE N N 322 123.855 123.289 0.566 2
1 1089 . 1 1 A 261 261 VAL H H 323 8.550 8.285 0.265 2
1 1090 . 1 1 A 261 261 VAL C C 323 176.101 177.856 -1.755 2
1 1091 . 1 1 A 261 261 VAL CA C 323 67.685 66.508 1.177 2
1 1092 . 1 1 A 261 261 VAL CB C 323 30.508 31.616 -1.108 2
1 1093 . 1 1 A 261 261 VAL N N 323 120.258 120.304 -0.046 2
1 1094 . 1 1 A 262 262 CYS H H 324 8.432 7.872 0.560 2
1 1095 . 1 1 A 262 262 CYS C C 324 174.872 177.127 -2.255 2
1 1096 . 1 1 A 262 262 CYS CA C 324 64.717 63.588 1.129 2
1 1097 . 1 1 A 262 262 CYS CB C 324 26.752 26.641 0.111 2
1 1098 . 1 1 A 262 262 CYS N N 324 118.160 118.139 0.021 2
1 1099 . 1 1 A 263 263 GLN H H 325 8.013 8.255 -0.242 2
1 1100 . 1 1 A 263 263 GLN C C 325 177.450 178.350 -0.900 2
1 1101 . 1 1 A 263 263 GLN CA C 325 58.502 59.188 -0.686 2
1 1102 . 1 1 A 263 263 GLN CB C 325 27.182 28.099 -0.917 2
1 1103 . 1 1 A 263 263 GLN N N 325 117.340 120.890 -3.550 2
1 1104 . 1 1 A 264 264 LEU H H 326 8.287 8.207 0.080 2
1 1105 . 1 1 A 264 264 LEU C C 326 177.892 179.023 -1.131 2
1 1106 . 1 1 A 264 264 LEU CA C 326 58.056 57.703 0.353 2
1 1107 . 1 1 A 264 264 LEU CB C 326 40.531 41.214 -0.683 2
1 1108 . 1 1 A 264 264 LEU N N 326 119.074 119.197 -0.123 2
1 1109 . 1 1 A 265 265 ARG H H 327 7.922 8.343 -0.421 2
1 1110 . 1 1 A 265 265 ARG C C 327 177.377 178.997 -1.620 2
1 1111 . 1 1 A 265 265 ARG CA C 327 57.875 59.239 -1.364 2
1 1112 . 1 1 A 265 265 ARG CB C 327 29.654 29.779 -0.125 2
1 1113 . 1 1 A 265 265 ARG N N 327 116.440 118.384 -1.944 2
1 1114 . 1 1 A 266 266 LEU H H 328 7.332 8.268 -0.936 2
1 1115 . 1 1 A 266 266 LEU C C 328 176.269 178.749 -2.480 2
1 1116 . 1 1 A 266 266 LEU CA C 328 56.970 57.844 -0.874 2
1 1117 . 1 1 A 266 266 LEU CB C 328 40.877 40.897 -0.020 2
1 1118 . 1 1 A 266 266 LEU N N 328 118.302 120.228 -1.926 2
1 1119 . 1 1 A 267 267 ASP H H 329 7.113 7.911 -0.798 2
1 1120 . 1 1 A 267 267 ASP C C 329 174.571 176.449 -1.878 2
1 1121 . 1 1 A 267 267 ASP CA C 329 56.892 55.911 0.981 2
1 1122 . 1 1 A 267 267 ASP CB C 329 42.395 42.116 0.279 2
1 1123 . 1 1 A 267 267 ASP N N 329 120.164 117.454 2.710 2
1 1124 . 1 1 A 268 268 ARG H H 330 8.524 7.656 0.868 2
1 1125 . 1 1 A 268 268 ARG C C 330 171.634 174.599 -2.965 2
1 1126 . 1 1 A 268 268 ARG CA C 330 56.595 55.439 1.156 2
1 1127 . 1 1 A 268 268 ARG CB C 330 31.436 33.093 -1.657 2
1 1128 . 1 1 A 268 268 ARG N N 330 122.028 119.049 2.979 2
1 1129 . 1 1 A 269 269 GLY H H 331 9.008 8.669 0.339 2
1 1130 . 1 1 A 269 269 GLY C C 331 172.822 175.274 -2.452 2
1 1131 . 1 1 A 269 269 GLY CA C 331 46.558 46.444 0.114 2
1 1132 . 1 1 A 269 269 GLY N N 331 113.589 113.902 -0.313 2
1 1133 . 1 1 A 270 270 GLY H H 332 7.931 8.388 -0.457 2
1 1134 . 1 1 A 270 270 GLY C C 332 172.355 174.238 -1.883 2
1 1135 . 1 1 A 270 270 GLY CA C 332 44.885 45.544 -0.659 2
1 1136 . 1 1 A 270 270 GLY N N 332 103.641 115.433 -11.792 2
1 1137 . 1 1 A 271 271 MET H H 333 6.495 7.706 -1.211 2
1 1138 . 1 1 A 271 271 MET C C 333 176.707 177.261 -0.554 2
1 1139 . 1 1 A 271 271 MET CA C 333 57.151 56.443 0.708 2
1 1140 . 1 1 A 271 271 MET CB C 333 34.005 32.507 1.498 2
1 1141 . 1 1 A 271 271 MET N N 333 115.401 119.749 -4.348 2
1 1142 . 1 1 A 272 272 ILE H H 334 8.556 8.635 -0.079 2
1 1143 . 1 1 A 272 272 ILE C C 334 171.428 176.223 -4.795 2
1 1144 . 1 1 A 272 272 ILE CA C 334 64.471 61.872 2.599 2
1 1145 . 1 1 A 272 272 ILE CB C 334 31.733 36.236 -4.503 2
1 1146 . 1 1 A 272 272 ILE N N 334 115.525 119.166 -3.641 2
1 1147 . 1 1 A 273 273 GLN H H 335 8.163 8.632 -0.469 2
1 1148 . 1 1 A 273 273 GLN C C 335 175.955 175.960 -0.005 2
1 1149 . 1 1 A 273 273 GLN CA C 335 58.242 57.581 0.661 2
1 1150 . 1 1 A 273 273 GLN CB C 335 31.572 29.953 1.619 2
1 1151 . 1 1 A 273 273 GLN N N 335 122.453 128.160 -5.707 2
1 1152 . 1 1 A 274 274 THR H H 336 7.114 7.715 -0.601 2
1 1153 . 1 1 A 274 274 THR C C 336 172.206 174.775 -2.569 2
1 1154 . 1 1 A 274 274 THR CA C 336 58.009 59.370 -1.361 2
1 1155 . 1 1 A 274 274 THR CB C 336 72.297 71.631 0.666 2
1 1156 . 1 1 A 274 274 THR N N 336 105.407 109.141 -3.734 2
1 1157 . 1 1 A 275 275 ALA H H 337 8.846 9.155 -0.309 2
1 1158 . 1 1 A 275 275 ALA C C 337 178.129 179.500 -1.371 2
1 1159 . 1 1 A 275 275 ALA CA C 337 53.661 55.128 -1.467 2
1 1160 . 1 1 A 275 275 ALA CB C 337 16.632 18.023 -1.391 2
1 1161 . 1 1 A 275 275 ALA N N 337 124.873 124.875 -0.002 2
1 1162 . 1 1 A 276 276 GLU H H 338 8.312 8.486 -0.174 2
1 1163 . 1 1 A 276 276 GLU C C 338 178.483 179.140 -0.657 2
1 1164 . 1 1 A 276 276 GLU CA C 338 59.621 59.692 -0.071 2
1 1165 . 1 1 A 276 276 GLU CB C 338 28.305 28.887 -0.582 2
1 1166 . 1 1 A 276 276 GLU N N 338 118.987 117.856 1.131 2
1 1167 . 1 1 A 277 277 GLN H H 339 7.764 8.282 -0.518 2
1 1168 . 1 1 A 277 277 GLN C C 339 176.107 178.574 -2.467 2
1 1169 . 1 1 A 277 277 GLN CA C 339 58.670 59.125 -0.455 2
1 1170 . 1 1 A 277 277 GLN CB C 339 27.949 28.011 -0.062 2
1 1171 . 1 1 A 277 277 GLN N N 339 121.789 118.200 3.589 2
1 1172 . 1 1 A 278 278 TYR H H 340 7.555 8.171 -0.616 2
1 1173 . 1 1 A 278 278 TYR C C 340 178.020 178.069 -0.049 2
1 1174 . 1 1 A 278 278 TYR CA C 340 61.713 61.279 0.434 2
1 1175 . 1 1 A 278 278 TYR CB C 340 38.830 38.395 0.435 2
1 1176 . 1 1 A 278 278 TYR N N 340 121.759 123.451 -1.692 2
1 1177 . 1 1 A 279 279 GLN H H 341 8.722 8.228 0.494 2
1 1178 . 1 1 A 279 279 GLN C C 341 176.706 178.628 -1.922 2
1 1179 . 1 1 A 279 279 GLN CA C 341 58.874 58.749 0.125 2
1 1180 . 1 1 A 279 279 GLN CB C 341 27.205 27.778 -0.573 2
1 1181 . 1 1 A 279 279 GLN N N 341 120.678 117.893 2.785 2
1 1182 . 1 1 A 280 280 PHE H H 342 8.567 8.203 0.364 2
1 1183 . 1 1 A 280 280 PHE C C 342 177.027 177.506 -0.479 2
1 1184 . 1 1 A 280 280 PHE CA C 342 59.890 60.771 -0.881 2
1 1185 . 1 1 A 280 280 PHE CB C 342 38.308 39.467 -1.159 2
1 1186 . 1 1 A 280 280 PHE N N 342 123.831 122.799 1.032 2
1 1187 . 1 1 A 281 281 LEU H H 343 8.235 8.247 -0.012 2
1 1188 . 1 1 A 281 281 LEU C C 343 176.815 178.514 -1.699 2
1 1189 . 1 1 A 281 281 LEU CA C 343 57.507 58.066 -0.559 2
1 1190 . 1 1 A 281 281 LEU CB C 343 41.380 41.749 -0.369 2
1 1191 . 1 1 A 281 281 LEU N N 343 121.975 120.243 1.732 2
1 1192 . 1 1 A 282 282 HIS H H 344 7.025 8.128 -1.103 2
1 1193 . 1 1 A 282 282 HIS C C 344 175.901 177.744 -1.843 2
1 1194 . 1 1 A 282 282 HIS CA C 344 61.499 59.382 2.117 2
1 1195 . 1 1 A 282 282 HIS CB C 344 27.030 30.425 -3.395 2
1 1196 . 1 1 A 282 282 HIS N N 344 116.019 117.825 -1.806 2
1 1197 . 1 1 A 283 283 HIS H H 345 7.897 7.982 -0.085 2
1 1198 . 1 1 A 283 283 HIS C C 345 176.712 176.882 -0.170 2
1 1199 . 1 1 A 283 283 HIS CA C 345 58.582 59.628 -1.046 2
1 1200 . 1 1 A 283 283 HIS CB C 345 30.257 30.273 -0.016 2
1 1201 . 1 1 A 283 283 HIS N N 345 119.440 119.089 0.351 2
1 1202 . 1 1 A 284 284 THR H H 346 8.369 8.152 0.217 2
1 1203 . 1 1 A 284 284 THR C C 346 174.356 176.020 -1.664 2
1 1204 . 1 1 A 284 284 THR CA C 346 66.613 66.460 0.153 2
1 1205 . 1 1 A 284 284 THR CB C 346 67.534 68.192 -0.658 2
1 1206 . 1 1 A 284 284 THR N N 346 117.588 114.052 3.536 2
1 1207 . 1 1 A 285 285 LEU H H 347 7.661 7.777 -0.116 2
1 1208 . 1 1 A 285 285 LEU C C 347 176.786 179.057 -2.271 2
1 1209 . 1 1 A 285 285 LEU CA C 347 56.819 57.004 -0.185 2
1 1210 . 1 1 A 285 285 LEU CB C 347 39.334 41.634 -2.300 2
1 1211 . 1 1 A 285 285 LEU N N 347 120.633 120.168 0.465 2
1 1212 . 1 1 A 286 286 ALA H H 348 8.056 8.262 -0.206 2
1 1213 . 1 1 A 286 286 ALA C C 348 178.451 179.635 -1.184 2
1 1214 . 1 1 A 286 286 ALA CA C 348 55.207 55.094 0.113 2
1 1215 . 1 1 A 286 286 ALA CB C 348 17.643 18.144 -0.501 2
1 1216 . 1 1 A 286 286 ALA N N 348 122.569 122.764 -0.195 2
1 1217 . 1 1 A 287 287 LEU H H 349 7.457 7.901 -0.444 2
1 1218 . 1 1 A 287 287 LEU C C 349 178.318 178.140 0.178 2
1 1219 . 1 1 A 287 287 LEU CA C 349 57.411 57.534 -0.123 2
1 1220 . 1 1 A 287 287 LEU CB C 349 39.884 41.645 -1.761 2
1 1221 . 1 1 A 287 287 LEU N N 349 121.083 119.911 1.172 2
1 1222 . 1 1 A 288 288 TYR H H 350 7.848 8.299 -0.451 2
1 1223 . 1 1 A 288 288 TYR C C 350 176.382 177.514 -1.132 2
1 1224 . 1 1 A 288 288 TYR CA C 350 61.198 62.092 -0.894 2
1 1225 . 1 1 A 288 288 TYR CB C 350 37.578 38.703 -1.125 2
1 1226 . 1 1 A 288 288 TYR N N 350 120.619 119.451 1.168 2
1 1227 . 1 1 A 289 289 ALA H H 351 8.477 8.546 -0.069 2
1 1228 . 1 1 A 289 289 ALA C C 351 177.488 180.083 -2.595 2
1 1229 . 1 1 A 289 289 ALA CA C 351 54.395 54.977 -0.582 2
1 1230 . 1 1 A 289 289 ALA CB C 351 17.511 18.068 -0.557 2
1 1231 . 1 1 A 289 289 ALA N N 351 119.777 121.425 -1.648 2
1 1232 . 1 1 A 290 290 GLY H H 352 7.369 8.339 -0.970 2
1 1233 . 1 1 A 290 290 GLY C C 352 173.141 175.044 -1.903 2
1 1234 . 1 1 A 290 290 GLY CA C 352 45.555 46.809 -1.254 2
1 1235 . 1 1 A 290 290 GLY N N 352 101.900 106.874 -4.974 2
1 1236 . 1 1 A 291 291 GLN H H 353 7.490 7.826 -0.336 2
1 1237 . 1 1 A 291 291 GLN C C 353 174.802 175.954 -1.152 2
1 1238 . 1 1 A 291 291 GLN CA C 353 54.647 55.560 -0.913 2
1 1239 . 1 1 A 291 291 GLN CB C 353 27.994 29.268 -1.274 2
1 1240 . 1 1 A 291 291 GLN N N 353 118.100 117.297 0.803 2
1 1241 . 1 1 A 292 292 LEU H H 354 6.821 7.298 -0.477 2
1 1242 . 1 1 A 292 292 LEU CA C 354 52.765 53.530 -0.765 2
1 1243 . 1 1 A 292 292 LEU CB C 354 39.958 41.394 -1.436 2
1 1244 . 1 1 A 292 292 LEU N N 354 122.389 123.400 -1.011 2
1 1245 . 1 1 A 293 293 PRO C C 355 175.538 176.215 -0.677 2
1 1246 . 1 1 A 293 293 PRO CA C 355 62.596 62.982 -0.386 2
1 1247 . 1 1 A 293 293 PRO CB C 355 31.221 32.092 -0.871 2
1 1248 . 1 1 A 294 294 GLU H H 356 8.538 8.640 -0.102 2
1 1249 . 1 1 A 294 294 GLU C C 356 174.663 174.210 0.453 2
1 1250 . 1 1 A 294 294 GLU CA C 356 56.452 54.873 1.579 2
1 1251 . 1 1 A 294 294 GLU CB C 356 29.679 32.210 -2.531 2
1 1252 . 1 1 A 294 294 GLU N N 356 122.846 120.302 2.544 2
1 1253 . 1 1 A 295 295 GLU H H 357 8.359 8.787 -0.428 2
1 1254 . 1 1 A 295 295 GLU CA C 357 53.748 52.743 1.005 2
1 1255 . 1 1 A 295 295 GLU CB C 357 29.272 32.948 -3.676 2
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