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 stop_ save_