data_18203 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18203 _Entry.PDB_ID 2LO9 save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 18203 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 GLY N N 2 113.101 113.101 107.032 6.069 18203 2 1 1 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.292 0.108 18203 3 1 1 . 1 1 2 2 GLY H H 2 8.729 8.729 8.724 0.005 18203 4 1 1 . 1 1 3 3 GLU N N 3 121.656 121.656 121.120 0.536 18203 5 1 1 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.938 0.177 18203 6 1 1 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.040 -0.512 18203 7 1 1 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.110 0.472 18203 8 1 1 . 1 1 3 3 GLU H H 3 8.866 8.866 8.949 -0.083 18203 9 1 1 . 1 1 4 4 ARG N N 4 121.188 121.188 119.300 1.888 18203 10 1 1 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.136 0.209 18203 11 1 1 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.259 -1.413 18203 12 1 1 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.256 1.019 18203 13 1 1 . 1 1 4 4 ARG H H 4 8.778 8.778 8.176 0.602 18203 14 1 1 . 1 1 5 5 CYS N N 5 118.492 118.492 117.754 0.738 18203 15 1 1 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.376 0.417 18203 16 1 1 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.487 -6.484 18203 17 1 1 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.939 12.252 18203 18 1 1 . 1 1 5 5 CYS H H 5 8.483 8.483 8.507 -0.024 18203 19 1 1 . 1 1 6 6 CYS N N 6 114.976 114.976 118.840 -3.864 18203 20 1 1 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.218 0.288 18203 21 1 1 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.689 -4.881 18203 22 1 1 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.015 16.900 18203 23 1 1 . 1 1 6 6 CYS H H 6 8.506 8.506 8.367 0.139 18203 24 1 1 . 1 1 7 7 LYS N N 7 120.758 120.758 116.808 3.950 18203 25 1 1 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.140 0.173 18203 26 1 1 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.411 -1.523 18203 27 1 1 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.264 0.427 18203 28 1 1 . 1 1 7 7 LYS H H 7 8.003 8.003 8.047 -0.044 18203 29 1 1 . 1 1 8 8 ASN N N 8 118.023 118.023 114.960 3.063 18203 30 1 1 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.912 -0.103 18203 31 1 1 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.091 -0.074 18203 32 1 1 . 1 1 8 8 ASN CB C 8 38.733 38.733 42.071 -3.338 18203 33 1 1 . 1 1 8 8 ASN H H 8 8.635 8.635 7.981 0.654 18203 34 1 1 . 1 1 9 9 GLY N N 9 108.647 108.647 110.448 -1.801 18203 35 1 1 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.672 -1.241 18203 36 1 1 . 1 1 9 9 GLY H H 9 8.273 8.273 8.778 -0.505 18203 37 1 1 . 1 1 10 10 LYS N N 10 121.969 121.969 124.133 -2.164 18203 38 1 1 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.044 0.241 18203 39 1 1 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.566 -1.259 18203 40 1 1 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.130 -2.126 18203 41 1 1 . 1 1 10 10 LYS H H 10 8.595 8.595 8.537 0.058 18203 42 1 1 . 1 1 11 11 ARG N N 11 119.937 119.937 116.376 3.561 18203 43 1 1 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.236 0.034 18203 44 1 1 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.958 -0.576 18203 45 1 1 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.493 -0.456 18203 46 1 1 . 1 1 11 11 ARG H H 11 8.377 8.377 7.980 0.397 18203 47 1 1 . 1 1 12 12 GLY N N 12 107.866 107.866 106.373 1.493 18203 48 1 1 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.787 0.404 18203 49 1 1 . 1 1 12 12 GLY H H 12 8.045 8.045 7.850 0.195 18203 50 1 1 . 1 1 13 13 CYS N N 13 118.687 118.687 120.184 -1.497 18203 51 1 1 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.278 0.428 18203 52 1 1 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.385 -4.992 18203 53 1 1 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.942 17.588 18203 54 1 1 . 1 1 13 13 CYS H H 13 8.174 8.174 7.486 0.688 18203 55 1 1 . 1 1 14 14 GLY N N 14 111.655 111.655 111.847 -0.192 18203 56 1 1 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.911 -0.554 18203 57 1 1 . 1 1 14 14 GLY H H 14 8.595 8.595 7.867 0.728 18203 58 1 1 . 1 1 15 15 ARG N N 15 119.859 119.859 120.781 -0.922 18203 59 1 1 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.043 -0.236 18203 60 1 1 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.104 0.920 18203 61 1 1 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.253 -0.147 18203 62 1 1 . 1 1 15 15 ARG H H 15 8.603 8.603 8.751 -0.148 18203 63 1 1 . 1 1 16 16 TRP N N 16 118.804 118.804 122.442 -3.638 18203 64 1 1 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.415 -0.006 18203 65 1 1 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.545 1.229 18203 66 1 1 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.201 -0.570 18203 67 1 1 . 1 1 16 16 TRP H H 16 8.771 8.771 8.079 0.692 18203 68 1 1 . 1 1 17 17 CYS N N 17 118.922 118.922 119.804 -0.882 18203 69 1 1 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.166 0.268 18203 70 1 1 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.957 -1.860 18203 71 1 1 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.585 12.793 18203 72 1 1 . 1 1 17 17 CYS H H 17 9.036 9.036 8.898 0.138 18203 73 1 1 . 1 1 18 18 ARG N N 18 122.086 122.086 120.563 1.523 18203 74 1 1 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.011 -0.066 18203 75 1 1 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.638 0.313 18203 76 1 1 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.160 -0.191 18203 77 1 1 . 1 1 18 18 ARG H H 18 8.843 8.843 8.679 0.164 18203 78 1 1 . 1 1 19 19 ASP N N 19 116.226 116.226 115.295 0.931 18203 79 1 1 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.598 -0.165 18203 80 1 1 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.833 -0.637 18203 81 1 1 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.978 -1.099 18203 82 1 1 . 1 1 19 19 ASP H H 19 7.696 7.696 8.142 -0.446 18203 83 1 1 . 1 1 20 20 HIS N N 20 113.726 113.726 115.640 -1.914 18203 84 1 1 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.447 0.056 18203 85 1 1 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.022 0.619 18203 86 1 1 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.729 -1.758 18203 87 1 1 . 1 1 20 20 HIS H H 20 7.545 7.545 8.454 -0.909 18203 88 1 1 . 1 1 21 21 SER N N 21 115.523 115.523 114.991 0.532 18203 89 1 1 . 1 1 21 21 SER HA H 21 4.865 4.865 4.661 0.204 18203 90 1 1 . 1 1 21 21 SER CA C 21 57.689 57.689 57.500 0.189 18203 91 1 1 . 1 1 21 21 SER CB C 21 66.139 66.139 64.679 1.460 18203 92 1 1 . 1 1 21 21 SER H H 21 8.156 8.156 8.509 -0.353 18203 93 1 1 . 1 1 22 22 ARG N N 22 125.719 125.719 126.840 -1.121 18203 94 1 1 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.384 0.018 18203 95 1 1 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.145 0.820 18203 96 1 1 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.523 2.248 18203 97 1 1 . 1 1 22 22 ARG H H 22 9.179 9.179 8.860 0.319 18203 98 1 1 . 1 1 23 23 CYS N N 23 116.539 116.539 118.719 -2.180 18203 99 1 1 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.714 -0.210 18203 100 1 1 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.974 -2.224 18203 101 1 1 . 1 1 23 23 CYS CB C 23 44.086 44.086 28.057 16.029 18203 102 1 1 . 1 1 23 23 CYS H H 23 8.354 8.354 8.322 0.032 18203 103 1 2 . 1 1 2 2 GLY N N 2 113.101 113.101 112.758 0.343 18203 104 1 2 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.861 -0.461 18203 105 1 2 . 1 1 2 2 GLY H H 2 8.729 8.729 8.223 0.506 18203 106 1 2 . 1 1 3 3 GLU N N 3 121.656 121.656 121.969 -0.313 18203 107 1 2 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.953 0.162 18203 108 1 2 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.852 -0.324 18203 109 1 2 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.900 0.682 18203 110 1 2 . 1 1 3 3 GLU H H 3 8.866 8.866 8.960 -0.094 18203 111 1 2 . 1 1 4 4 ARG N N 4 121.188 121.188 120.363 0.825 18203 112 1 2 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.089 0.256 18203 113 1 2 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.443 -1.597 18203 114 1 2 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.907 1.368 18203 115 1 2 . 1 1 4 4 ARG H H 4 8.778 8.778 8.550 0.228 18203 116 1 2 . 1 1 5 5 CYS N N 5 118.492 118.492 117.795 0.697 18203 117 1 2 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.415 0.378 18203 118 1 2 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.867 -6.864 18203 119 1 2 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.206 12.985 18203 120 1 2 . 1 1 5 5 CYS H H 5 8.483 8.483 8.671 -0.188 18203 121 1 2 . 1 1 6 6 CYS N N 6 114.976 114.976 119.869 -4.893 18203 122 1 2 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.301 0.205 18203 123 1 2 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.048 -4.240 18203 124 1 2 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.770 17.145 18203 125 1 2 . 1 1 6 6 CYS H H 6 8.506 8.506 8.703 -0.197 18203 126 1 2 . 1 1 7 7 LYS N N 7 120.758 120.758 118.321 2.437 18203 127 1 2 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.066 0.247 18203 128 1 2 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.923 -2.035 18203 129 1 2 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.414 0.277 18203 130 1 2 . 1 1 7 7 LYS H H 7 8.003 8.003 8.103 -0.100 18203 131 1 2 . 1 1 8 8 ASN N N 8 118.023 118.023 114.624 3.399 18203 132 1 2 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.942 -0.133 18203 133 1 2 . 1 1 8 8 ASN CA C 8 53.017 53.017 52.962 0.055 18203 134 1 2 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.355 -2.622 18203 135 1 2 . 1 1 8 8 ASN H H 8 8.635 8.635 7.613 1.022 18203 136 1 2 . 1 1 9 9 GLY N N 9 108.647 108.647 110.421 -1.774 18203 137 1 2 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.601 -1.170 18203 138 1 2 . 1 1 9 9 GLY H H 9 8.273 8.273 8.285 -0.012 18203 139 1 2 . 1 1 10 10 LYS N N 10 121.969 121.969 124.006 -2.037 18203 140 1 2 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.043 0.242 18203 141 1 2 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.660 -1.353 18203 142 1 2 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.183 -2.179 18203 143 1 2 . 1 1 10 10 LYS H H 10 8.595 8.595 8.435 0.160 18203 144 1 2 . 1 1 11 11 ARG N N 11 119.937 119.937 116.707 3.230 18203 145 1 2 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.260 0.010 18203 146 1 2 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.806 -0.424 18203 147 1 2 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.316 -0.279 18203 148 1 2 . 1 1 11 11 ARG H H 11 8.377 8.377 8.059 0.318 18203 149 1 2 . 1 1 12 12 GLY N N 12 107.866 107.866 105.771 2.095 18203 150 1 2 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.962 0.229 18203 151 1 2 . 1 1 12 12 GLY H H 12 8.045 8.045 7.627 0.418 18203 152 1 2 . 1 1 13 13 CYS N N 13 118.687 118.687 118.237 0.450 18203 153 1 2 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.285 0.421 18203 154 1 2 . 1 1 13 13 CYS CA C 13 56.393 56.393 59.975 -3.582 18203 155 1 2 . 1 1 13 13 CYS CB C 13 43.530 43.530 27.672 15.858 18203 156 1 2 . 1 1 13 13 CYS H H 13 8.174 8.174 7.479 0.695 18203 157 1 2 . 1 1 14 14 GLY N N 14 111.655 111.655 106.090 5.565 18203 158 1 2 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.476 -0.119 18203 159 1 2 . 1 1 14 14 GLY H H 14 8.595 8.595 8.198 0.397 18203 160 1 2 . 1 1 15 15 ARG N N 15 119.859 119.859 119.401 0.458 18203 161 1 2 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.078 -0.271 18203 162 1 2 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.542 0.482 18203 163 1 2 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.217 -0.111 18203 164 1 2 . 1 1 15 15 ARG H H 15 8.603 8.603 8.823 -0.220 18203 165 1 2 . 1 1 16 16 TRP N N 16 118.804 118.804 122.076 -3.272 18203 166 1 2 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.452 -0.043 18203 167 1 2 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.998 1.776 18203 168 1 2 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.885 -0.254 18203 169 1 2 . 1 1 16 16 TRP H H 16 8.771 8.771 7.785 0.986 18203 170 1 2 . 1 1 17 17 CYS N N 17 118.922 118.922 119.608 -0.686 18203 171 1 2 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.970 0.464 18203 172 1 2 . 1 1 17 17 CYS CA C 17 59.097 59.097 61.746 -2.649 18203 173 1 2 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.064 12.315 18203 174 1 2 . 1 1 17 17 CYS H H 17 9.036 9.036 8.748 0.288 18203 175 1 2 . 1 1 18 18 ARG N N 18 122.086 122.086 120.573 1.513 18203 176 1 2 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.905 0.040 18203 177 1 2 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.812 0.139 18203 178 1 2 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.127 -0.158 18203 179 1 2 . 1 1 18 18 ARG H H 18 8.843 8.843 8.680 0.163 18203 180 1 2 . 1 1 19 19 ASP N N 19 116.226 116.226 114.892 1.334 18203 181 1 2 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.579 -0.146 18203 182 1 2 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.605 -0.409 18203 183 1 2 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.833 -0.954 18203 184 1 2 . 1 1 19 19 ASP H H 19 7.696 7.696 8.212 -0.516 18203 185 1 2 . 1 1 20 20 HIS N N 20 113.726 113.726 116.189 -2.463 18203 186 1 2 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.470 0.033 18203 187 1 2 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.763 0.878 18203 188 1 2 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.213 -1.242 18203 189 1 2 . 1 1 20 20 HIS H H 20 7.545 7.545 8.500 -0.955 18203 190 1 2 . 1 1 21 21 SER N N 21 115.523 115.523 113.759 1.764 18203 191 1 2 . 1 1 21 21 SER HA H 21 4.865 4.865 4.595 0.270 18203 192 1 2 . 1 1 21 21 SER CA C 21 57.689 57.689 57.115 0.573 18203 193 1 2 . 1 1 21 21 SER CB C 21 66.139 66.139 64.270 1.869 18203 194 1 2 . 1 1 21 21 SER H H 21 8.156 8.156 8.242 -0.086 18203 195 1 2 . 1 1 22 22 ARG N N 22 125.719 125.719 127.013 -1.294 18203 196 1 2 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.503 -0.101 18203 197 1 2 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.979 0.985 18203 198 1 2 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.334 2.437 18203 199 1 2 . 1 1 22 22 ARG H H 22 9.179 9.179 8.764 0.415 18203 200 1 2 . 1 1 23 23 CYS N N 23 116.539 116.539 117.387 -0.848 18203 201 1 2 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.720 -0.216 18203 202 1 2 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.246 -2.496 18203 203 1 2 . 1 1 23 23 CYS CB C 23 44.086 44.086 29.106 14.980 18203 204 1 2 . 1 1 23 23 CYS H H 23 8.354 8.354 8.175 0.179 18203 205 1 3 . 1 1 2 2 GLY N N 2 113.101 113.101 114.311 -1.210 18203 206 1 3 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.045 -0.645 18203 207 1 3 . 1 1 2 2 GLY H H 2 8.729 8.729 8.433 0.296 18203 208 1 3 . 1 1 3 3 GLU N N 3 121.656 121.656 120.861 0.795 18203 209 1 3 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.092 0.023 18203 210 1 3 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.654 -0.126 18203 211 1 3 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.413 0.169 18203 212 1 3 . 1 1 3 3 GLU H H 3 8.866 8.866 8.778 0.088 18203 213 1 3 . 1 1 4 4 ARG N N 4 121.188 121.188 120.955 0.233 18203 214 1 3 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.055 0.290 18203 215 1 3 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.810 -1.964 18203 216 1 3 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.762 1.513 18203 217 1 3 . 1 1 4 4 ARG H H 4 8.778 8.778 8.728 0.050 18203 218 1 3 . 1 1 5 5 CYS N N 5 118.492 118.492 118.302 0.190 18203 219 1 3 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.319 0.474 18203 220 1 3 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.976 -6.973 18203 221 1 3 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.333 13.858 18203 222 1 3 . 1 1 5 5 CYS H H 5 8.483 8.483 8.696 -0.213 18203 223 1 3 . 1 1 6 6 CYS N N 6 114.976 114.976 118.125 -3.149 18203 224 1 3 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.341 0.165 18203 225 1 3 . 1 1 6 6 CYS CA C 6 56.808 56.808 60.872 -4.064 18203 226 1 3 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.462 16.453 18203 227 1 3 . 1 1 6 6 CYS H H 6 8.506 8.506 8.112 0.394 18203 228 1 3 . 1 1 7 7 LYS N N 7 120.758 120.758 118.622 2.136 18203 229 1 3 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.108 0.205 18203 230 1 3 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.451 -1.563 18203 231 1 3 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.508 0.183 18203 232 1 3 . 1 1 7 7 LYS H H 7 8.003 8.003 8.267 -0.264 18203 233 1 3 . 1 1 8 8 ASN N N 8 118.023 118.023 114.457 3.566 18203 234 1 3 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.908 -0.099 18203 235 1 3 . 1 1 8 8 ASN CA C 8 53.017 53.017 52.690 0.327 18203 236 1 3 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.785 -2.052 18203 237 1 3 . 1 1 8 8 ASN H H 8 8.635 8.635 7.962 0.673 18203 238 1 3 . 1 1 9 9 GLY N N 9 108.647 108.647 110.526 -1.879 18203 239 1 3 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.846 -1.415 18203 240 1 3 . 1 1 9 9 GLY H H 9 8.273 8.273 8.483 -0.210 18203 241 1 3 . 1 1 10 10 LYS N N 10 121.969 121.969 123.930 -1.961 18203 242 1 3 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.020 0.265 18203 243 1 3 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.533 -1.226 18203 244 1 3 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.173 -2.169 18203 245 1 3 . 1 1 10 10 LYS H H 10 8.595 8.595 8.350 0.245 18203 246 1 3 . 1 1 11 11 ARG N N 11 119.937 119.937 116.252 3.685 18203 247 1 3 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.373 -0.103 18203 248 1 3 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.103 0.279 18203 249 1 3 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.421 -0.383 18203 250 1 3 . 1 1 11 11 ARG H H 11 8.377 8.377 8.149 0.228 18203 251 1 3 . 1 1 12 12 GLY N N 12 107.866 107.866 107.494 0.372 18203 252 1 3 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.316 -0.126 18203 253 1 3 . 1 1 12 12 GLY H H 12 8.045 8.045 7.806 0.239 18203 254 1 3 . 1 1 13 13 CYS N N 13 118.687 118.687 118.472 0.215 18203 255 1 3 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.272 0.434 18203 256 1 3 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.948 -4.555 18203 257 1 3 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.748 16.782 18203 258 1 3 . 1 1 13 13 CYS H H 13 8.174 8.174 7.901 0.273 18203 259 1 3 . 1 1 14 14 GLY N N 14 111.655 111.655 109.779 1.876 18203 260 1 3 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.491 -0.134 18203 261 1 3 . 1 1 14 14 GLY H H 14 8.595 8.595 8.022 0.573 18203 262 1 3 . 1 1 15 15 ARG N N 15 119.859 119.859 118.788 1.071 18203 263 1 3 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.049 -0.242 18203 264 1 3 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.472 0.552 18203 265 1 3 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.181 -0.075 18203 266 1 3 . 1 1 15 15 ARG H H 15 8.603 8.603 8.885 -0.282 18203 267 1 3 . 1 1 16 16 TRP N N 16 118.804 118.804 122.188 -3.384 18203 268 1 3 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.500 -0.091 18203 269 1 3 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.804 1.970 18203 270 1 3 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.972 -0.341 18203 271 1 3 . 1 1 16 16 TRP H H 16 8.771 8.771 7.696 1.075 18203 272 1 3 . 1 1 17 17 CYS N N 17 118.922 118.922 120.063 -1.141 18203 273 1 3 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.171 0.263 18203 274 1 3 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.752 -1.655 18203 275 1 3 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.735 12.643 18203 276 1 3 . 1 1 17 17 CYS H H 17 9.036 9.036 8.895 0.141 18203 277 1 3 . 1 1 18 18 ARG N N 18 122.086 122.086 119.708 2.378 18203 278 1 3 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.995 -0.050 18203 279 1 3 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.754 0.197 18203 280 1 3 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.083 -0.114 18203 281 1 3 . 1 1 18 18 ARG H H 18 8.843 8.843 8.711 0.132 18203 282 1 3 . 1 1 19 19 ASP N N 19 116.226 116.226 116.057 0.169 18203 283 1 3 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.558 -0.125 18203 284 1 3 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.353 -0.157 18203 285 1 3 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.052 -1.173 18203 286 1 3 . 1 1 19 19 ASP H H 19 7.696 7.696 8.072 -0.376 18203 287 1 3 . 1 1 20 20 HIS N N 20 113.726 113.726 116.640 -2.914 18203 288 1 3 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.561 -0.058 18203 289 1 3 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.795 0.846 18203 290 1 3 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.530 -1.559 18203 291 1 3 . 1 1 20 20 HIS H H 20 7.545 7.545 8.575 -1.030 18203 292 1 3 . 1 1 21 21 SER N N 21 115.523 115.523 114.413 1.110 18203 293 1 3 . 1 1 21 21 SER HA H 21 4.865 4.865 4.764 0.101 18203 294 1 3 . 1 1 21 21 SER CA C 21 57.689 57.689 57.222 0.467 18203 295 1 3 . 1 1 21 21 SER CB C 21 66.139 66.139 65.595 0.544 18203 296 1 3 . 1 1 21 21 SER H H 21 8.156 8.156 8.275 -0.119 18203 297 1 3 . 1 1 22 22 ARG N N 22 125.719 125.719 120.002 5.717 18203 298 1 3 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.568 -0.166 18203 299 1 3 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.868 1.096 18203 300 1 3 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.503 -0.732 18203 301 1 3 . 1 1 22 22 ARG H H 22 9.179 9.179 8.584 0.595 18203 302 1 3 . 1 1 23 23 CYS N N 23 116.539 116.539 120.051 -3.512 18203 303 1 3 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.730 -0.226 18203 304 1 3 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.323 -1.573 18203 305 1 3 . 1 1 23 23 CYS CB C 23 44.086 44.086 25.750 18.336 18203 306 1 3 . 1 1 23 23 CYS H H 23 8.354 8.354 8.570 -0.216 18203 307 1 4 . 1 1 2 2 GLY N N 2 113.101 113.101 114.205 -1.104 18203 308 1 4 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.017 -0.617 18203 309 1 4 . 1 1 2 2 GLY H H 2 8.729 8.729 8.414 0.315 18203 310 1 4 . 1 1 3 3 GLU N N 3 121.656 121.656 120.782 0.874 18203 311 1 4 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.050 0.065 18203 312 1 4 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.623 -0.095 18203 313 1 4 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.155 0.427 18203 314 1 4 . 1 1 3 3 GLU H H 3 8.866 8.866 8.921 -0.055 18203 315 1 4 . 1 1 4 4 ARG N N 4 121.188 121.188 119.651 1.537 18203 316 1 4 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.043 0.302 18203 317 1 4 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.421 -1.575 18203 318 1 4 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.920 1.355 18203 319 1 4 . 1 1 4 4 ARG H H 4 8.778 8.778 8.856 -0.078 18203 320 1 4 . 1 1 5 5 CYS N N 5 118.492 118.492 118.865 -0.373 18203 321 1 4 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.285 0.508 18203 322 1 4 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.206 -7.202 18203 323 1 4 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.021 13.170 18203 324 1 4 . 1 1 5 5 CYS H H 5 8.483 8.483 8.069 0.414 18203 325 1 4 . 1 1 6 6 CYS N N 6 114.976 114.976 118.218 -3.242 18203 326 1 4 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.284 0.222 18203 327 1 4 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.746 -4.938 18203 328 1 4 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.328 16.587 18203 329 1 4 . 1 1 6 6 CYS H H 6 8.506 8.506 8.584 -0.078 18203 330 1 4 . 1 1 7 7 LYS N N 7 120.758 120.758 118.003 2.755 18203 331 1 4 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.118 0.195 18203 332 1 4 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.458 -1.570 18203 333 1 4 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.604 0.087 18203 334 1 4 . 1 1 7 7 LYS H H 7 8.003 8.003 8.355 -0.352 18203 335 1 4 . 1 1 8 8 ASN N N 8 118.023 118.023 114.406 3.617 18203 336 1 4 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.897 -0.088 18203 337 1 4 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.223 -0.206 18203 338 1 4 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.660 -1.927 18203 339 1 4 . 1 1 8 8 ASN H H 8 8.635 8.635 7.983 0.652 18203 340 1 4 . 1 1 9 9 GLY N N 9 108.647 108.647 110.508 -1.861 18203 341 1 4 . 1 1 9 9 GLY CA C 9 45.431 45.431 47.010 -1.579 18203 342 1 4 . 1 1 9 9 GLY H H 9 8.273 8.273 8.867 -0.594 18203 343 1 4 . 1 1 10 10 LYS N N 10 121.969 121.969 124.440 -2.471 18203 344 1 4 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.027 0.258 18203 345 1 4 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.429 -1.122 18203 346 1 4 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.260 -2.256 18203 347 1 4 . 1 1 10 10 LYS H H 10 8.595 8.595 8.396 0.199 18203 348 1 4 . 1 1 11 11 ARG N N 11 119.937 119.937 115.990 3.947 18203 349 1 4 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.252 0.018 18203 350 1 4 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.578 -0.196 18203 351 1 4 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.425 -0.389 18203 352 1 4 . 1 1 11 11 ARG H H 11 8.377 8.377 7.916 0.461 18203 353 1 4 . 1 1 12 12 GLY N N 12 107.866 107.866 107.302 0.564 18203 354 1 4 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.399 -0.208 18203 355 1 4 . 1 1 12 12 GLY H H 12 8.045 8.045 7.564 0.481 18203 356 1 4 . 1 1 13 13 CYS N N 13 118.687 118.687 119.439 -0.752 18203 357 1 4 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.184 0.522 18203 358 1 4 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.968 -4.575 18203 359 1 4 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.519 18.011 18203 360 1 4 . 1 1 13 13 CYS H H 13 8.174 8.174 7.740 0.434 18203 361 1 4 . 1 1 14 14 GLY N N 14 111.655 111.655 111.432 0.223 18203 362 1 4 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.465 -0.109 18203 363 1 4 . 1 1 14 14 GLY H H 14 8.595 8.595 7.615 0.980 18203 364 1 4 . 1 1 15 15 ARG N N 15 119.859 119.859 121.291 -1.432 18203 365 1 4 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.107 -0.300 18203 366 1 4 . 1 1 15 15 ARG CA C 15 60.024 60.024 60.026 -0.002 18203 367 1 4 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.206 -0.100 18203 368 1 4 . 1 1 15 15 ARG H H 15 8.603 8.603 8.884 -0.281 18203 369 1 4 . 1 1 16 16 TRP N N 16 118.804 118.804 119.656 -0.852 18203 370 1 4 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.445 -0.036 18203 371 1 4 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.648 2.126 18203 372 1 4 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.985 -0.354 18203 373 1 4 . 1 1 16 16 TRP H H 16 8.771 8.771 7.783 0.988 18203 374 1 4 . 1 1 17 17 CYS N N 17 118.922 118.922 119.761 -0.839 18203 375 1 4 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.958 0.476 18203 376 1 4 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.033 -2.936 18203 377 1 4 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.010 12.368 18203 378 1 4 . 1 1 17 17 CYS H H 17 9.036 9.036 8.959 0.077 18203 379 1 4 . 1 1 18 18 ARG N N 18 122.086 122.086 120.751 1.335 18203 380 1 4 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.923 0.022 18203 381 1 4 . 1 1 18 18 ARG CA C 18 59.951 59.951 60.389 -0.438 18203 382 1 4 . 1 1 18 18 ARG CB C 18 29.969 29.969 29.995 -0.026 18203 383 1 4 . 1 1 18 18 ARG H H 18 8.843 8.843 8.941 -0.098 18203 384 1 4 . 1 1 19 19 ASP N N 19 116.226 116.226 117.414 -1.188 18203 385 1 4 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.538 -0.105 18203 386 1 4 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.043 -0.847 18203 387 1 4 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.342 -0.463 18203 388 1 4 . 1 1 19 19 ASP H H 19 7.696 7.696 8.251 -0.555 18203 389 1 4 . 1 1 20 20 HIS N N 20 113.726 113.726 115.140 -1.414 18203 390 1 4 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.473 0.030 18203 391 1 4 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.906 -0.265 18203 392 1 4 . 1 1 20 20 HIS CB C 20 28.971 28.971 29.922 -0.951 18203 393 1 4 . 1 1 20 20 HIS H H 20 7.545 7.545 8.559 -1.014 18203 394 1 4 . 1 1 21 21 SER N N 21 115.523 115.523 112.710 2.813 18203 395 1 4 . 1 1 21 21 SER HA H 21 4.865 4.865 4.669 0.196 18203 396 1 4 . 1 1 21 21 SER CA C 21 57.689 57.689 56.240 1.449 18203 397 1 4 . 1 1 21 21 SER CB C 21 66.139 66.139 64.696 1.443 18203 398 1 4 . 1 1 21 21 SER H H 21 8.156 8.156 8.169 -0.013 18203 399 1 4 . 1 1 22 22 ARG N N 22 125.719 125.719 121.566 4.153 18203 400 1 4 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.553 -0.151 18203 401 1 4 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.615 1.349 18203 402 1 4 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.993 0.778 18203 403 1 4 . 1 1 22 22 ARG H H 22 9.179 9.179 8.455 0.724 18203 404 1 4 . 1 1 23 23 CYS N N 23 116.539 116.539 118.847 -2.308 18203 405 1 4 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.691 -0.187 18203 406 1 4 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.660 -1.910 18203 407 1 4 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.567 17.519 18203 408 1 4 . 1 1 23 23 CYS H H 23 8.354 8.354 8.563 -0.209 18203 409 1 5 . 1 1 2 2 GLY N N 2 113.101 113.101 108.447 4.654 18203 410 1 5 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.772 -0.372 18203 411 1 5 . 1 1 2 2 GLY H H 2 8.729 8.729 8.466 0.263 18203 412 1 5 . 1 1 3 3 GLU N N 3 121.656 121.656 122.014 -0.358 18203 413 1 5 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.035 0.080 18203 414 1 5 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.206 -0.678 18203 415 1 5 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.850 0.732 18203 416 1 5 . 1 1 3 3 GLU H H 3 8.866 8.866 9.028 -0.162 18203 417 1 5 . 1 1 4 4 ARG N N 4 121.188 121.188 119.936 1.252 18203 418 1 5 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.120 0.225 18203 419 1 5 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.178 -1.332 18203 420 1 5 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.997 1.278 18203 421 1 5 . 1 1 4 4 ARG H H 4 8.778 8.778 8.675 0.103 18203 422 1 5 . 1 1 5 5 CYS N N 5 118.492 118.492 118.935 -0.443 18203 423 1 5 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.376 0.417 18203 424 1 5 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.894 -6.891 18203 425 1 5 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.317 12.874 18203 426 1 5 . 1 1 5 5 CYS H H 5 8.483 8.483 8.922 -0.439 18203 427 1 5 . 1 1 6 6 CYS N N 6 114.976 114.976 119.891 -4.915 18203 428 1 5 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.263 0.243 18203 429 1 5 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.056 -5.248 18203 430 1 5 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.178 16.737 18203 431 1 5 . 1 1 6 6 CYS H H 6 8.506 8.506 8.463 0.042 18203 432 1 5 . 1 1 7 7 LYS N N 7 120.758 120.758 117.781 2.977 18203 433 1 5 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.129 0.184 18203 434 1 5 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.230 -1.342 18203 435 1 5 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.282 0.409 18203 436 1 5 . 1 1 7 7 LYS H H 7 8.003 8.003 7.908 0.095 18203 437 1 5 . 1 1 8 8 ASN N N 8 118.023 118.023 114.505 3.518 18203 438 1 5 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.818 -0.009 18203 439 1 5 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.212 -0.195 18203 440 1 5 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.959 -2.226 18203 441 1 5 . 1 1 8 8 ASN H H 8 8.635 8.635 7.668 0.967 18203 442 1 5 . 1 1 9 9 GLY N N 9 108.647 108.647 110.757 -2.110 18203 443 1 5 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.859 -1.428 18203 444 1 5 . 1 1 9 9 GLY H H 9 8.273 8.273 8.879 -0.606 18203 445 1 5 . 1 1 10 10 LYS N N 10 121.969 121.969 124.485 -2.516 18203 446 1 5 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.028 0.257 18203 447 1 5 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.535 -1.228 18203 448 1 5 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.264 -2.260 18203 449 1 5 . 1 1 10 10 LYS H H 10 8.595 8.595 8.306 0.289 18203 450 1 5 . 1 1 11 11 ARG N N 11 119.937 119.937 116.286 3.651 18203 451 1 5 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.322 -0.052 18203 452 1 5 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.106 0.276 18203 453 1 5 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.616 -0.579 18203 454 1 5 . 1 1 11 11 ARG H H 11 8.377 8.377 7.949 0.428 18203 455 1 5 . 1 1 12 12 GLY N N 12 107.866 107.866 107.962 -0.096 18203 456 1 5 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.401 -0.210 18203 457 1 5 . 1 1 12 12 GLY H H 12 8.045 8.045 7.750 0.295 18203 458 1 5 . 1 1 13 13 CYS N N 13 118.687 118.687 118.929 -0.242 18203 459 1 5 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.260 0.446 18203 460 1 5 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.794 -5.401 18203 461 1 5 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.545 16.985 18203 462 1 5 . 1 1 13 13 CYS H H 13 8.174 8.174 7.787 0.387 18203 463 1 5 . 1 1 14 14 GLY N N 14 111.655 111.655 109.229 2.426 18203 464 1 5 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.603 -0.247 18203 465 1 5 . 1 1 14 14 GLY H H 14 8.595 8.595 7.931 0.664 18203 466 1 5 . 1 1 15 15 ARG N N 15 119.859 119.859 119.341 0.518 18203 467 1 5 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.092 -0.285 18203 468 1 5 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.709 0.315 18203 469 1 5 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.208 -0.102 18203 470 1 5 . 1 1 15 15 ARG H H 15 8.603 8.603 8.843 -0.240 18203 471 1 5 . 1 1 16 16 TRP N N 16 118.804 118.804 122.090 -3.286 18203 472 1 5 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.446 -0.037 18203 473 1 5 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.794 1.980 18203 474 1 5 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.972 -0.341 18203 475 1 5 . 1 1 16 16 TRP H H 16 8.771 8.771 7.684 1.087 18203 476 1 5 . 1 1 17 17 CYS N N 17 118.922 118.922 119.303 -0.381 18203 477 1 5 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.948 0.486 18203 478 1 5 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.338 -3.241 18203 479 1 5 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.890 12.488 18203 480 1 5 . 1 1 17 17 CYS H H 17 9.036 9.036 8.854 0.182 18203 481 1 5 . 1 1 18 18 ARG N N 18 122.086 122.086 120.881 1.205 18203 482 1 5 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.923 0.022 18203 483 1 5 . 1 1 18 18 ARG CA C 18 59.951 59.951 60.271 -0.320 18203 484 1 5 . 1 1 18 18 ARG CB C 18 29.969 29.969 29.980 -0.011 18203 485 1 5 . 1 1 18 18 ARG H H 18 8.843 8.843 8.830 0.013 18203 486 1 5 . 1 1 19 19 ASP N N 19 116.226 116.226 116.527 -0.301 18203 487 1 5 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.564 -0.131 18203 488 1 5 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.198 -1.002 18203 489 1 5 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.253 -0.374 18203 490 1 5 . 1 1 19 19 ASP H H 19 7.696 7.696 8.413 -0.717 18203 491 1 5 . 1 1 20 20 HIS N N 20 113.726 113.726 117.364 -3.638 18203 492 1 5 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.605 -0.102 18203 493 1 5 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.913 0.729 18203 494 1 5 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.580 -1.609 18203 495 1 5 . 1 1 20 20 HIS H H 20 7.545 7.545 8.613 -1.068 18203 496 1 5 . 1 1 21 21 SER N N 21 115.523 115.523 113.149 2.374 18203 497 1 5 . 1 1 21 21 SER HA H 21 4.865 4.865 4.688 0.177 18203 498 1 5 . 1 1 21 21 SER CA C 21 57.689 57.689 57.306 0.383 18203 499 1 5 . 1 1 21 21 SER CB C 21 66.139 66.139 65.463 0.676 18203 500 1 5 . 1 1 21 21 SER H H 21 8.156 8.156 8.403 -0.247 18203 501 1 5 . 1 1 22 22 ARG N N 22 125.719 125.719 120.732 4.987 18203 502 1 5 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.595 -0.193 18203 503 1 5 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.075 1.889 18203 504 1 5 . 1 1 22 22 ARG CB C 22 29.771 29.771 29.077 0.694 18203 505 1 5 . 1 1 22 22 ARG H H 22 9.179 9.179 8.459 0.720 18203 506 1 5 . 1 1 23 23 CYS N N 23 116.539 116.539 119.972 -3.433 18203 507 1 5 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.663 -0.159 18203 508 1 5 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.866 -2.116 18203 509 1 5 . 1 1 23 23 CYS CB C 23 44.086 44.086 25.765 18.321 18203 510 1 5 . 1 1 23 23 CYS H H 23 8.354 8.354 8.451 -0.097 18203 511 1 6 . 1 1 2 2 GLY N N 2 113.101 113.101 111.151 1.950 18203 512 1 6 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.345 -0.945 18203 513 1 6 . 1 1 2 2 GLY H H 2 8.729 8.729 8.681 0.048 18203 514 1 6 . 1 1 3 3 GLU N N 3 121.656 121.656 122.516 -0.860 18203 515 1 6 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.831 0.284 18203 516 1 6 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.300 -0.772 18203 517 1 6 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.638 0.944 18203 518 1 6 . 1 1 3 3 GLU H H 3 8.866 8.866 8.556 0.310 18203 519 1 6 . 1 1 4 4 ARG N N 4 121.188 121.188 120.387 0.801 18203 520 1 6 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.093 0.252 18203 521 1 6 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.555 -1.709 18203 522 1 6 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.167 1.108 18203 523 1 6 . 1 1 4 4 ARG H H 4 8.778 8.778 8.630 0.148 18203 524 1 6 . 1 1 5 5 CYS N N 5 118.492 118.492 117.980 0.512 18203 525 1 6 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.322 0.471 18203 526 1 6 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.601 -6.598 18203 527 1 6 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.440 12.751 18203 528 1 6 . 1 1 5 5 CYS H H 5 8.483 8.483 8.909 -0.426 18203 529 1 6 . 1 1 6 6 CYS N N 6 114.976 114.976 120.379 -5.403 18203 530 1 6 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.244 0.262 18203 531 1 6 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.542 -4.734 18203 532 1 6 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.741 17.174 18203 533 1 6 . 1 1 6 6 CYS H H 6 8.506 8.506 8.240 0.266 18203 534 1 6 . 1 1 7 7 LYS N N 7 120.758 120.758 118.344 2.414 18203 535 1 6 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.071 0.242 18203 536 1 6 . 1 1 7 7 LYS CA C 7 56.888 56.888 59.045 -2.157 18203 537 1 6 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.236 0.455 18203 538 1 6 . 1 1 7 7 LYS H H 7 8.003 8.003 8.526 -0.523 18203 539 1 6 . 1 1 8 8 ASN N N 8 118.023 118.023 115.133 2.890 18203 540 1 6 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.903 -0.094 18203 541 1 6 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.721 -0.704 18203 542 1 6 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.018 -2.285 18203 543 1 6 . 1 1 8 8 ASN H H 8 8.635 8.635 7.723 0.912 18203 544 1 6 . 1 1 9 9 GLY N N 9 108.647 108.647 109.935 -1.288 18203 545 1 6 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.861 -1.430 18203 546 1 6 . 1 1 9 9 GLY H H 9 8.273 8.273 8.577 -0.304 18203 547 1 6 . 1 1 10 10 LYS N N 10 121.969 121.969 124.700 -2.731 18203 548 1 6 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.047 0.238 18203 549 1 6 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.035 -0.728 18203 550 1 6 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.782 -1.778 18203 551 1 6 . 1 1 10 10 LYS H H 10 8.595 8.595 8.493 0.102 18203 552 1 6 . 1 1 11 11 ARG N N 11 119.937 119.937 117.367 2.570 18203 553 1 6 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.336 -0.066 18203 554 1 6 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.036 0.346 18203 555 1 6 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.519 -0.482 18203 556 1 6 . 1 1 11 11 ARG H H 11 8.377 8.377 7.917 0.460 18203 557 1 6 . 1 1 12 12 GLY N N 12 107.866 107.866 106.088 1.778 18203 558 1 6 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.922 0.269 18203 559 1 6 . 1 1 12 12 GLY H H 12 8.045 8.045 7.810 0.235 18203 560 1 6 . 1 1 13 13 CYS N N 13 118.687 118.687 121.661 -2.974 18203 561 1 6 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.240 0.466 18203 562 1 6 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.515 -4.122 18203 563 1 6 . 1 1 13 13 CYS CB C 13 43.530 43.530 24.386 19.144 18203 564 1 6 . 1 1 13 13 CYS H H 13 8.174 8.174 7.637 0.537 18203 565 1 6 . 1 1 14 14 GLY N N 14 111.655 111.655 113.129 -1.474 18203 566 1 6 . 1 1 14 14 GLY CA C 14 44.357 44.357 45.111 -0.754 18203 567 1 6 . 1 1 14 14 GLY H H 14 8.595 8.595 7.681 0.914 18203 568 1 6 . 1 1 15 15 ARG N N 15 119.859 119.859 121.099 -1.240 18203 569 1 6 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.105 -0.298 18203 570 1 6 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.183 0.841 18203 571 1 6 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.234 -0.128 18203 572 1 6 . 1 1 15 15 ARG H H 15 8.603 8.603 8.783 -0.180 18203 573 1 6 . 1 1 16 16 TRP N N 16 118.804 118.804 119.738 -0.934 18203 574 1 6 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.445 -0.036 18203 575 1 6 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.067 1.707 18203 576 1 6 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.220 -0.589 18203 577 1 6 . 1 1 16 16 TRP H H 16 8.771 8.771 8.072 0.699 18203 578 1 6 . 1 1 17 17 CYS N N 17 118.922 118.922 119.594 -0.672 18203 579 1 6 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.890 0.544 18203 580 1 6 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.600 -3.503 18203 581 1 6 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.922 12.456 18203 582 1 6 . 1 1 17 17 CYS H H 17 9.036 9.036 8.906 0.130 18203 583 1 6 . 1 1 18 18 ARG N N 18 122.086 122.086 120.389 1.697 18203 584 1 6 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.963 -0.018 18203 585 1 6 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.768 0.183 18203 586 1 6 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.182 -0.213 18203 587 1 6 . 1 1 18 18 ARG H H 18 8.843 8.843 8.666 0.177 18203 588 1 6 . 1 1 19 19 ASP N N 19 116.226 116.226 114.778 1.448 18203 589 1 6 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.579 -0.146 18203 590 1 6 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.907 -0.711 18203 591 1 6 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.689 -0.810 18203 592 1 6 . 1 1 19 19 ASP H H 19 7.696 7.696 7.772 -0.076 18203 593 1 6 . 1 1 20 20 HIS N N 20 113.726 113.726 116.700 -2.974 18203 594 1 6 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.532 -0.029 18203 595 1 6 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.598 0.043 18203 596 1 6 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.696 -1.725 18203 597 1 6 . 1 1 20 20 HIS H H 20 7.545 7.545 8.401 -0.856 18203 598 1 6 . 1 1 21 21 SER N N 21 115.523 115.523 114.233 1.290 18203 599 1 6 . 1 1 21 21 SER HA H 21 4.865 4.865 4.585 0.280 18203 600 1 6 . 1 1 21 21 SER CA C 21 57.689 57.689 56.914 0.775 18203 601 1 6 . 1 1 21 21 SER CB C 21 66.139 66.139 63.708 2.431 18203 602 1 6 . 1 1 21 21 SER H H 21 8.156 8.156 8.291 -0.135 18203 603 1 6 . 1 1 22 22 ARG N N 22 125.719 125.719 127.221 -1.502 18203 604 1 6 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.288 0.114 18203 605 1 6 . 1 1 22 22 ARG CA C 22 56.964 56.964 57.237 -0.273 18203 606 1 6 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.568 2.203 18203 607 1 6 . 1 1 22 22 ARG H H 22 9.179 9.179 8.936 0.243 18203 608 1 6 . 1 1 23 23 CYS N N 23 116.539 116.539 117.852 -1.313 18203 609 1 6 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.654 -0.149 18203 610 1 6 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.306 -2.555 18203 611 1 6 . 1 1 23 23 CYS CB C 23 44.086 44.086 29.105 14.981 18203 612 1 6 . 1 1 23 23 CYS H H 23 8.354 8.354 8.926 -0.572 18203 613 1 7 . 1 1 2 2 GLY N N 2 113.101 113.101 110.494 2.607 18203 614 1 7 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.521 -0.121 18203 615 1 7 . 1 1 2 2 GLY H H 2 8.729 8.729 8.423 0.306 18203 616 1 7 . 1 1 3 3 GLU N N 3 121.656 121.656 121.769 -0.113 18203 617 1 7 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.977 0.138 18203 618 1 7 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.791 -0.263 18203 619 1 7 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.928 0.654 18203 620 1 7 . 1 1 3 3 GLU H H 3 8.866 8.866 8.944 -0.078 18203 621 1 7 . 1 1 4 4 ARG N N 4 121.188 121.188 120.179 1.009 18203 622 1 7 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.093 0.252 18203 623 1 7 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.428 -1.582 18203 624 1 7 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.913 1.362 18203 625 1 7 . 1 1 4 4 ARG H H 4 8.778 8.778 8.634 0.144 18203 626 1 7 . 1 1 5 5 CYS N N 5 118.492 118.492 118.468 0.024 18203 627 1 7 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.259 0.534 18203 628 1 7 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.826 -6.823 18203 629 1 7 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.286 12.905 18203 630 1 7 . 1 1 5 5 CYS H H 5 8.483 8.483 8.551 -0.068 18203 631 1 7 . 1 1 6 6 CYS N N 6 114.976 114.976 119.307 -4.331 18203 632 1 7 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.205 0.301 18203 633 1 7 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.614 -4.806 18203 634 1 7 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.931 16.984 18203 635 1 7 . 1 1 6 6 CYS H H 6 8.506 8.506 8.485 0.021 18203 636 1 7 . 1 1 7 7 LYS N N 7 120.758 120.758 117.756 3.002 18203 637 1 7 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.050 0.263 18203 638 1 7 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.719 -1.831 18203 639 1 7 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.239 0.453 18203 640 1 7 . 1 1 7 7 LYS H H 7 8.003 8.003 8.213 -0.210 18203 641 1 7 . 1 1 8 8 ASN N N 8 118.023 118.023 115.039 2.984 18203 642 1 7 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.881 -0.072 18203 643 1 7 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.359 -0.342 18203 644 1 7 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.602 -2.869 18203 645 1 7 . 1 1 8 8 ASN H H 8 8.635 8.635 7.610 1.025 18203 646 1 7 . 1 1 9 9 GLY N N 9 108.647 108.647 110.817 -2.170 18203 647 1 7 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.850 -1.419 18203 648 1 7 . 1 1 9 9 GLY H H 9 8.273 8.273 8.735 -0.462 18203 649 1 7 . 1 1 10 10 LYS N N 10 121.969 121.969 124.499 -2.530 18203 650 1 7 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.083 0.202 18203 651 1 7 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.136 -0.829 18203 652 1 7 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.020 -2.017 18203 653 1 7 . 1 1 10 10 LYS H H 10 8.595 8.595 8.391 0.204 18203 654 1 7 . 1 1 11 11 ARG N N 11 119.937 119.937 116.530 3.407 18203 655 1 7 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.318 -0.048 18203 656 1 7 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.307 0.075 18203 657 1 7 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.600 -0.563 18203 658 1 7 . 1 1 11 11 ARG H H 11 8.377 8.377 8.021 0.356 18203 659 1 7 . 1 1 12 12 GLY N N 12 107.866 107.866 106.622 1.244 18203 660 1 7 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.922 0.269 18203 661 1 7 . 1 1 12 12 GLY H H 12 8.045 8.045 7.981 0.064 18203 662 1 7 . 1 1 13 13 CYS N N 13 118.687 118.687 119.675 -0.988 18203 663 1 7 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.354 0.352 18203 664 1 7 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.151 -4.758 18203 665 1 7 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.103 17.427 18203 666 1 7 . 1 1 13 13 CYS H H 13 8.174 8.174 7.970 0.204 18203 667 1 7 . 1 1 14 14 GLY N N 14 111.655 111.655 111.182 0.473 18203 668 1 7 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.677 -0.320 18203 669 1 7 . 1 1 14 14 GLY H H 14 8.595 8.595 7.704 0.891 18203 670 1 7 . 1 1 15 15 ARG N N 15 119.859 119.859 119.606 0.253 18203 671 1 7 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.157 -0.350 18203 672 1 7 . 1 1 15 15 ARG CA C 15 60.024 60.024 60.044 -0.020 18203 673 1 7 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.253 -0.147 18203 674 1 7 . 1 1 15 15 ARG H H 15 8.603 8.603 8.870 -0.267 18203 675 1 7 . 1 1 16 16 TRP N N 16 118.804 118.804 120.577 -1.773 18203 676 1 7 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.424 -0.015 18203 677 1 7 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.782 1.992 18203 678 1 7 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.132 -0.501 18203 679 1 7 . 1 1 16 16 TRP H H 16 8.771 8.771 7.682 1.089 18203 680 1 7 . 1 1 17 17 CYS N N 17 118.922 118.922 120.114 -1.192 18203 681 1 7 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.198 0.236 18203 682 1 7 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.938 -1.841 18203 683 1 7 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.671 12.707 18203 684 1 7 . 1 1 17 17 CYS H H 17 9.036 9.036 8.866 0.170 18203 685 1 7 . 1 1 18 18 ARG N N 18 122.086 122.086 120.866 1.220 18203 686 1 7 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.007 -0.062 18203 687 1 7 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.560 0.391 18203 688 1 7 . 1 1 18 18 ARG CB C 18 29.969 29.969 29.998 -0.029 18203 689 1 7 . 1 1 18 18 ARG H H 18 8.843 8.843 8.842 0.001 18203 690 1 7 . 1 1 19 19 ASP N N 19 116.226 116.226 116.308 -0.082 18203 691 1 7 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.548 -0.115 18203 692 1 7 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.865 -0.669 18203 693 1 7 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.026 -1.147 18203 694 1 7 . 1 1 19 19 ASP H H 19 7.696 7.696 8.140 -0.444 18203 695 1 7 . 1 1 20 20 HIS N N 20 113.726 113.726 115.746 -2.020 18203 696 1 7 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.530 -0.027 18203 697 1 7 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.160 0.481 18203 698 1 7 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.576 -1.605 18203 699 1 7 . 1 1 20 20 HIS H H 20 7.545 7.545 8.496 -0.951 18203 700 1 7 . 1 1 21 21 SER N N 21 115.523 115.523 114.560 0.963 18203 701 1 7 . 1 1 21 21 SER HA H 21 4.865 4.865 4.737 0.128 18203 702 1 7 . 1 1 21 21 SER CA C 21 57.689 57.689 57.829 -0.140 18203 703 1 7 . 1 1 21 21 SER CB C 21 66.139 66.139 65.281 0.858 18203 704 1 7 . 1 1 21 21 SER H H 21 8.156 8.156 8.655 -0.499 18203 705 1 7 . 1 1 22 22 ARG N N 22 125.719 125.719 124.868 0.851 18203 706 1 7 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.433 -0.031 18203 707 1 7 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.038 0.926 18203 708 1 7 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.361 1.410 18203 709 1 7 . 1 1 22 22 ARG H H 22 9.179 9.179 8.746 0.433 18203 710 1 7 . 1 1 23 23 CYS N N 23 116.539 116.539 119.616 -3.077 18203 711 1 7 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.659 -0.155 18203 712 1 7 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.188 -2.438 18203 713 1 7 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.166 16.919 18203 714 1 7 . 1 1 23 23 CYS H H 23 8.354 8.354 8.165 0.189 18203 715 1 8 . 1 1 2 2 GLY N N 2 113.101 113.101 111.546 1.555 18203 716 1 8 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.817 -0.417 18203 717 1 8 . 1 1 2 2 GLY H H 2 8.729 8.729 8.476 0.253 18203 718 1 8 . 1 1 3 3 GLU N N 3 121.656 121.656 119.875 1.781 18203 719 1 8 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.201 -0.086 18203 720 1 8 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.743 -0.215 18203 721 1 8 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.259 0.324 18203 722 1 8 . 1 1 3 3 GLU H H 3 8.866 8.866 8.853 0.013 18203 723 1 8 . 1 1 4 4 ARG N N 4 121.188 121.188 118.922 2.266 18203 724 1 8 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.082 0.263 18203 725 1 8 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.134 -1.288 18203 726 1 8 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.727 1.548 18203 727 1 8 . 1 1 4 4 ARG H H 4 8.778 8.778 8.943 -0.165 18203 728 1 8 . 1 1 5 5 CYS N N 5 118.492 118.492 119.597 -1.105 18203 729 1 8 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.206 0.587 18203 730 1 8 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.983 -6.980 18203 731 1 8 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.117 13.074 18203 732 1 8 . 1 1 5 5 CYS H H 5 8.483 8.483 7.889 0.594 18203 733 1 8 . 1 1 6 6 CYS N N 6 114.976 114.976 119.266 -4.290 18203 734 1 8 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.237 0.269 18203 735 1 8 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.005 -5.197 18203 736 1 8 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.317 16.598 18203 737 1 8 . 1 1 6 6 CYS H H 6 8.506 8.506 8.550 -0.044 18203 738 1 8 . 1 1 7 7 LYS N N 7 120.758 120.758 117.879 2.879 18203 739 1 8 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.076 0.237 18203 740 1 8 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.559 -1.671 18203 741 1 8 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.313 0.378 18203 742 1 8 . 1 1 7 7 LYS H H 7 8.003 8.003 8.104 -0.101 18203 743 1 8 . 1 1 8 8 ASN N N 8 118.023 118.023 114.623 3.400 18203 744 1 8 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.802 0.007 18203 745 1 8 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.420 -0.404 18203 746 1 8 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.666 -1.933 18203 747 1 8 . 1 1 8 8 ASN H H 8 8.635 8.635 7.661 0.974 18203 748 1 8 . 1 1 9 9 GLY N N 9 108.647 108.647 109.898 -1.251 18203 749 1 8 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.876 -1.445 18203 750 1 8 . 1 1 9 9 GLY H H 9 8.273 8.273 8.672 -0.399 18203 751 1 8 . 1 1 10 10 LYS N N 10 121.969 121.969 124.826 -2.857 18203 752 1 8 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.007 0.278 18203 753 1 8 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.468 -1.161 18203 754 1 8 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.809 -1.805 18203 755 1 8 . 1 1 10 10 LYS H H 10 8.595 8.595 8.395 0.200 18203 756 1 8 . 1 1 11 11 ARG N N 11 119.937 119.937 116.236 3.701 18203 757 1 8 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.302 -0.032 18203 758 1 8 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.249 0.133 18203 759 1 8 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.507 -0.470 18203 760 1 8 . 1 1 11 11 ARG H H 11 8.377 8.377 7.756 0.621 18203 761 1 8 . 1 1 12 12 GLY N N 12 107.866 107.866 106.568 1.298 18203 762 1 8 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.220 -0.029 18203 763 1 8 . 1 1 12 12 GLY H H 12 8.045 8.045 7.718 0.327 18203 764 1 8 . 1 1 13 13 CYS N N 13 118.687 118.687 119.115 -0.428 18203 765 1 8 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.278 0.428 18203 766 1 8 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.885 -4.492 18203 767 1 8 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.484 18.046 18203 768 1 8 . 1 1 13 13 CYS H H 13 8.174 8.174 7.614 0.560 18203 769 1 8 . 1 1 14 14 GLY N N 14 111.655 111.655 112.319 -0.664 18203 770 1 8 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.840 -0.483 18203 771 1 8 . 1 1 14 14 GLY H H 14 8.595 8.595 7.739 0.856 18203 772 1 8 . 1 1 15 15 ARG N N 15 119.859 119.859 120.516 -0.657 18203 773 1 8 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.044 -0.237 18203 774 1 8 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.126 0.898 18203 775 1 8 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.372 -0.266 18203 776 1 8 . 1 1 15 15 ARG H H 15 8.603 8.603 8.805 -0.202 18203 777 1 8 . 1 1 16 16 TRP N N 16 118.804 118.804 121.917 -3.113 18203 778 1 8 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.475 -0.066 18203 779 1 8 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.361 1.413 18203 780 1 8 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.271 -0.640 18203 781 1 8 . 1 1 16 16 TRP H H 16 8.771 8.771 8.108 0.663 18203 782 1 8 . 1 1 17 17 CYS N N 17 118.922 118.922 119.777 -0.855 18203 783 1 8 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.257 0.177 18203 784 1 8 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.571 -1.474 18203 785 1 8 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.732 12.646 18203 786 1 8 . 1 1 17 17 CYS H H 17 9.036 9.036 8.874 0.162 18203 787 1 8 . 1 1 18 18 ARG N N 18 122.086 122.086 120.701 1.385 18203 788 1 8 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.005 -0.060 18203 789 1 8 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.552 0.399 18203 790 1 8 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.078 -0.109 18203 791 1 8 . 1 1 18 18 ARG H H 18 8.843 8.843 8.716 0.127 18203 792 1 8 . 1 1 19 19 ASP N N 19 116.226 116.226 116.162 0.064 18203 793 1 8 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.546 -0.113 18203 794 1 8 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.747 -0.551 18203 795 1 8 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.077 -1.198 18203 796 1 8 . 1 1 19 19 ASP H H 19 7.696 7.696 8.223 -0.527 18203 797 1 8 . 1 1 20 20 HIS N N 20 113.726 113.726 116.559 -2.833 18203 798 1 8 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.566 -0.063 18203 799 1 8 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.957 0.684 18203 800 1 8 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.410 -1.439 18203 801 1 8 . 1 1 20 20 HIS H H 20 7.545 7.545 8.743 -1.198 18203 802 1 8 . 1 1 21 21 SER N N 21 115.523 115.523 114.634 0.889 18203 803 1 8 . 1 1 21 21 SER HA H 21 4.865 4.865 4.734 0.131 18203 804 1 8 . 1 1 21 21 SER CA C 21 57.689 57.689 57.263 0.426 18203 805 1 8 . 1 1 21 21 SER CB C 21 66.139 66.139 65.765 0.374 18203 806 1 8 . 1 1 21 21 SER H H 21 8.156 8.156 8.318 -0.162 18203 807 1 8 . 1 1 22 22 ARG N N 22 125.719 125.719 121.502 4.217 18203 808 1 8 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.532 -0.130 18203 809 1 8 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.066 0.898 18203 810 1 8 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.142 -0.371 18203 811 1 8 . 1 1 22 22 ARG H H 22 9.179 9.179 8.481 0.698 18203 812 1 8 . 1 1 23 23 CYS N N 23 116.539 116.539 119.041 -2.502 18203 813 1 8 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.716 -0.212 18203 814 1 8 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.849 -2.099 18203 815 1 8 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.307 17.779 18203 816 1 8 . 1 1 23 23 CYS H H 23 8.354 8.354 8.639 -0.285 18203 817 1 9 . 1 1 2 2 GLY N N 2 113.101 113.101 110.037 3.064 18203 818 1 9 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.778 -1.378 18203 819 1 9 . 1 1 2 2 GLY H H 2 8.729 8.729 8.198 0.531 18203 820 1 9 . 1 1 3 3 GLU N N 3 121.656 121.656 121.001 0.655 18203 821 1 9 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.920 0.195 18203 822 1 9 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.614 -1.087 18203 823 1 9 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.126 0.456 18203 824 1 9 . 1 1 3 3 GLU H H 3 8.866 8.866 8.613 0.253 18203 825 1 9 . 1 1 4 4 ARG N N 4 121.188 121.188 118.751 2.437 18203 826 1 9 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.136 0.209 18203 827 1 9 . 1 1 4 4 ARG CA C 4 56.846 56.846 57.272 -0.426 18203 828 1 9 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.648 1.627 18203 829 1 9 . 1 1 4 4 ARG H H 4 8.778 8.778 8.813 -0.035 18203 830 1 9 . 1 1 5 5 CYS N N 5 118.492 118.492 120.312 -1.820 18203 831 1 9 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.255 0.538 18203 832 1 9 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.356 -7.353 18203 833 1 9 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.127 13.064 18203 834 1 9 . 1 1 5 5 CYS H H 5 8.483 8.483 8.905 -0.422 18203 835 1 9 . 1 1 6 6 CYS N N 6 114.976 114.976 119.258 -4.282 18203 836 1 9 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.226 0.280 18203 837 1 9 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.155 -5.347 18203 838 1 9 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.204 16.711 18203 839 1 9 . 1 1 6 6 CYS H H 6 8.506 8.506 8.659 -0.153 18203 840 1 9 . 1 1 7 7 LYS N N 7 120.758 120.758 117.689 3.069 18203 841 1 9 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.147 0.166 18203 842 1 9 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.282 -1.394 18203 843 1 9 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.267 0.423 18203 844 1 9 . 1 1 7 7 LYS H H 7 8.003 8.003 7.651 0.352 18203 845 1 9 . 1 1 8 8 ASN N N 8 118.023 118.023 114.828 3.195 18203 846 1 9 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.777 0.032 18203 847 1 9 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.339 -0.322 18203 848 1 9 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.752 -2.019 18203 849 1 9 . 1 1 8 8 ASN H H 8 8.635 8.635 7.801 0.834 18203 850 1 9 . 1 1 9 9 GLY N N 9 108.647 108.647 110.430 -1.783 18203 851 1 9 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.569 -1.138 18203 852 1 9 . 1 1 9 9 GLY H H 9 8.273 8.273 8.891 -0.618 18203 853 1 9 . 1 1 10 10 LYS N N 10 121.969 121.969 124.467 -2.498 18203 854 1 9 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.054 0.231 18203 855 1 9 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.316 -1.009 18203 856 1 9 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.114 -2.110 18203 857 1 9 . 1 1 10 10 LYS H H 10 8.595 8.595 8.311 0.284 18203 858 1 9 . 1 1 11 11 ARG N N 11 119.937 119.937 115.670 4.267 18203 859 1 9 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.279 -0.009 18203 860 1 9 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.731 -0.349 18203 861 1 9 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.514 -0.477 18203 862 1 9 . 1 1 11 11 ARG H H 11 8.377 8.377 7.653 0.724 18203 863 1 9 . 1 1 12 12 GLY N N 12 107.866 107.866 106.754 1.112 18203 864 1 9 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.384 -0.193 18203 865 1 9 . 1 1 12 12 GLY H H 12 8.045 8.045 7.536 0.509 18203 866 1 9 . 1 1 13 13 CYS N N 13 118.687 118.687 118.962 -0.275 18203 867 1 9 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.239 0.467 18203 868 1 9 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.150 -4.757 18203 869 1 9 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.695 17.835 18203 870 1 9 . 1 1 13 13 CYS H H 13 8.174 8.174 7.812 0.362 18203 871 1 9 . 1 1 14 14 GLY N N 14 111.655 111.655 113.667 -2.012 18203 872 1 9 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.683 -0.326 18203 873 1 9 . 1 1 14 14 GLY H H 14 8.595 8.595 7.685 0.910 18203 874 1 9 . 1 1 15 15 ARG N N 15 119.859 119.859 120.834 -0.975 18203 875 1 9 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.102 -0.295 18203 876 1 9 . 1 1 15 15 ARG CA C 15 60.024 60.024 60.205 -0.181 18203 877 1 9 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.209 -0.103 18203 878 1 9 . 1 1 15 15 ARG H H 15 8.603 8.603 8.886 -0.283 18203 879 1 9 . 1 1 16 16 TRP N N 16 118.804 118.804 119.832 -1.028 18203 880 1 9 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.459 -0.050 18203 881 1 9 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.623 2.151 18203 882 1 9 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.956 -0.325 18203 883 1 9 . 1 1 16 16 TRP H H 16 8.771 8.771 7.809 0.962 18203 884 1 9 . 1 1 17 17 CYS N N 17 118.922 118.922 119.513 -0.591 18203 885 1 9 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.283 0.151 18203 886 1 9 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.713 -1.616 18203 887 1 9 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.707 12.671 18203 888 1 9 . 1 1 17 17 CYS H H 17 9.036 9.036 8.838 0.198 18203 889 1 9 . 1 1 18 18 ARG N N 18 122.086 122.086 120.460 1.626 18203 890 1 9 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.041 -0.096 18203 891 1 9 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.550 0.401 18203 892 1 9 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.162 -0.193 18203 893 1 9 . 1 1 18 18 ARG H H 18 8.843 8.843 8.766 0.077 18203 894 1 9 . 1 1 19 19 ASP N N 19 116.226 116.226 116.202 0.024 18203 895 1 9 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.570 -0.137 18203 896 1 9 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.742 -0.546 18203 897 1 9 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.092 -1.213 18203 898 1 9 . 1 1 19 19 ASP H H 19 7.696 7.696 8.235 -0.539 18203 899 1 9 . 1 1 20 20 HIS N N 20 113.726 113.726 116.859 -3.133 18203 900 1 9 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.563 -0.060 18203 901 1 9 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.487 0.154 18203 902 1 9 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.825 -1.854 18203 903 1 9 . 1 1 20 20 HIS H H 20 7.545 7.545 8.699 -1.154 18203 904 1 9 . 1 1 21 21 SER N N 21 115.523 115.523 114.042 1.481 18203 905 1 9 . 1 1 21 21 SER HA H 21 4.865 4.865 4.768 0.097 18203 906 1 9 . 1 1 21 21 SER CA C 21 57.689 57.689 57.429 0.260 18203 907 1 9 . 1 1 21 21 SER CB C 21 66.139 66.139 66.086 0.053 18203 908 1 9 . 1 1 21 21 SER H H 21 8.156 8.156 8.307 -0.151 18203 909 1 9 . 1 1 22 22 ARG N N 22 125.719 125.719 120.697 5.022 18203 910 1 9 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.557 -0.155 18203 911 1 9 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.962 1.002 18203 912 1 9 . 1 1 22 22 ARG CB C 22 29.771 29.771 29.903 -0.132 18203 913 1 9 . 1 1 22 22 ARG H H 22 9.179 9.179 8.482 0.697 18203 914 1 9 . 1 1 23 23 CYS N N 23 116.539 116.539 119.055 -2.516 18203 915 1 9 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.722 -0.218 18203 916 1 9 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.686 -1.936 18203 917 1 9 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.239 17.847 18203 918 1 9 . 1 1 23 23 CYS H H 23 8.354 8.354 8.532 -0.178 18203 919 1 10 . 1 1 2 2 GLY N N 2 113.101 113.101 107.364 5.737 18203 920 1 10 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.345 0.055 18203 921 1 10 . 1 1 2 2 GLY H H 2 8.729 8.729 8.755 -0.026 18203 922 1 10 . 1 1 3 3 GLU N N 3 121.656 121.656 120.839 0.817 18203 923 1 10 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.074 0.041 18203 924 1 10 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.936 -0.408 18203 925 1 10 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.031 0.551 18203 926 1 10 . 1 1 3 3 GLU H H 3 8.866 8.866 8.987 -0.121 18203 927 1 10 . 1 1 4 4 ARG N N 4 121.188 121.188 118.838 2.350 18203 928 1 10 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.179 0.166 18203 929 1 10 . 1 1 4 4 ARG CA C 4 56.846 56.846 57.207 -0.361 18203 930 1 10 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.742 1.533 18203 931 1 10 . 1 1 4 4 ARG H H 4 8.778 8.778 8.292 0.486 18203 932 1 10 . 1 1 5 5 CYS N N 5 118.492 118.492 119.870 -1.378 18203 933 1 10 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.481 0.312 18203 934 1 10 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.894 -6.891 18203 935 1 10 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.552 12.639 18203 936 1 10 . 1 1 5 5 CYS H H 5 8.483 8.483 8.511 -0.028 18203 937 1 10 . 1 1 6 6 CYS N N 6 114.976 114.976 119.137 -4.161 18203 938 1 10 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.199 0.307 18203 939 1 10 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.973 -5.165 18203 940 1 10 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.956 16.959 18203 941 1 10 . 1 1 6 6 CYS H H 6 8.506 8.506 8.662 -0.156 18203 942 1 10 . 1 1 7 7 LYS N N 7 120.758 120.758 118.451 2.307 18203 943 1 10 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.053 0.260 18203 944 1 10 . 1 1 7 7 LYS CA C 7 56.888 56.888 59.054 -2.167 18203 945 1 10 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.318 0.373 18203 946 1 10 . 1 1 7 7 LYS H H 7 8.003 8.003 7.689 0.314 18203 947 1 10 . 1 1 8 8 ASN N N 8 118.023 118.023 114.976 3.047 18203 948 1 10 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.855 -0.046 18203 949 1 10 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.916 -0.899 18203 950 1 10 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.986 -2.252 18203 951 1 10 . 1 1 8 8 ASN H H 8 8.635 8.635 7.656 0.979 18203 952 1 10 . 1 1 9 9 GLY N N 9 108.647 108.647 110.234 -1.587 18203 953 1 10 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.969 -1.538 18203 954 1 10 . 1 1 9 9 GLY H H 9 8.273 8.273 8.914 -0.641 18203 955 1 10 . 1 1 10 10 LYS N N 10 121.969 121.969 124.926 -2.957 18203 956 1 10 . 1 1 10 10 LYS HA H 10 4.285 4.285 3.995 0.290 18203 957 1 10 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.990 -1.683 18203 958 1 10 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.340 -2.337 18203 959 1 10 . 1 1 10 10 LYS H H 10 8.595 8.595 8.431 0.164 18203 960 1 10 . 1 1 11 11 ARG N N 11 119.937 119.937 116.835 3.102 18203 961 1 10 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.213 0.057 18203 962 1 10 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.380 0.002 18203 963 1 10 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.495 -0.458 18203 964 1 10 . 1 1 11 11 ARG H H 11 8.377 8.377 7.997 0.380 18203 965 1 10 . 1 1 12 12 GLY N N 12 107.866 107.866 105.019 2.847 18203 966 1 10 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.414 0.777 18203 967 1 10 . 1 1 12 12 GLY H H 12 8.045 8.045 7.702 0.343 18203 968 1 10 . 1 1 13 13 CYS N N 13 118.687 118.687 122.139 -3.452 18203 969 1 10 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.683 0.023 18203 970 1 10 . 1 1 13 13 CYS CA C 13 56.393 56.393 58.367 -1.974 18203 971 1 10 . 1 1 13 13 CYS CB C 13 43.530 43.530 24.858 18.672 18203 972 1 10 . 1 1 13 13 CYS H H 13 8.174 8.174 7.656 0.518 18203 973 1 10 . 1 1 14 14 GLY N N 14 111.655 111.655 113.320 -1.665 18203 974 1 10 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.906 -0.549 18203 975 1 10 . 1 1 14 14 GLY H H 14 8.595 8.595 7.664 0.931 18203 976 1 10 . 1 1 15 15 ARG N N 15 119.859 119.859 119.714 0.145 18203 977 1 10 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.039 -0.232 18203 978 1 10 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.226 0.798 18203 979 1 10 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.389 -0.283 18203 980 1 10 . 1 1 15 15 ARG H H 15 8.603 8.603 8.823 -0.220 18203 981 1 10 . 1 1 16 16 TRP N N 16 118.804 118.804 121.984 -3.180 18203 982 1 10 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.452 -0.043 18203 983 1 10 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.657 1.117 18203 984 1 10 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.063 -0.432 18203 985 1 10 . 1 1 16 16 TRP H H 16 8.771 8.771 8.129 0.642 18203 986 1 10 . 1 1 17 17 CYS N N 17 118.922 118.922 119.496 -0.574 18203 987 1 10 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.143 0.291 18203 988 1 10 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.851 -1.754 18203 989 1 10 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.028 12.350 18203 990 1 10 . 1 1 17 17 CYS H H 17 9.036 9.036 8.557 0.479 18203 991 1 10 . 1 1 18 18 ARG N N 18 122.086 122.086 120.755 1.331 18203 992 1 10 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.029 -0.084 18203 993 1 10 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.989 -0.038 18203 994 1 10 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.077 -0.108 18203 995 1 10 . 1 1 18 18 ARG H H 18 8.843 8.843 8.839 0.004 18203 996 1 10 . 1 1 19 19 ASP N N 19 116.226 116.226 117.712 -1.486 18203 997 1 10 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.590 -0.157 18203 998 1 10 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.043 -0.847 18203 999 1 10 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.187 -0.308 18203 1000 1 10 . 1 1 19 19 ASP H H 19 7.696 7.696 8.341 -0.645 18203 1001 1 10 . 1 1 20 20 HIS N N 20 113.726 113.726 118.155 -4.429 18203 1002 1 10 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.427 0.076 18203 1003 1 10 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.486 0.155 18203 1004 1 10 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.044 -1.073 18203 1005 1 10 . 1 1 20 20 HIS H H 20 7.545 7.545 8.782 -1.237 18203 1006 1 10 . 1 1 21 21 SER N N 21 115.523 115.523 114.319 1.204 18203 1007 1 10 . 1 1 21 21 SER HA H 21 4.865 4.865 4.674 0.191 18203 1008 1 10 . 1 1 21 21 SER CA C 21 57.689 57.689 57.763 -0.074 18203 1009 1 10 . 1 1 21 21 SER CB C 21 66.139 66.139 65.136 1.003 18203 1010 1 10 . 1 1 21 21 SER H H 21 8.156 8.156 8.525 -0.369 18203 1011 1 10 . 1 1 22 22 ARG N N 22 125.719 125.719 125.980 -0.261 18203 1012 1 10 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.377 0.025 18203 1013 1 10 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.236 0.728 18203 1014 1 10 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.295 2.476 18203 1015 1 10 . 1 1 22 22 ARG H H 22 9.179 9.179 8.814 0.365 18203 1016 1 10 . 1 1 23 23 CYS N N 23 116.539 116.539 118.669 -2.130 18203 1017 1 10 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.715 -0.211 18203 1018 1 10 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.899 -2.149 18203 1019 1 10 . 1 1 23 23 CYS CB C 23 44.086 44.086 28.064 16.022 18203 1020 1 10 . 1 1 23 23 CYS H H 23 8.354 8.354 8.548 -0.194 18203 1021 1 11 . 1 1 2 2 GLY N N 2 113.101 113.101 107.467 5.634 18203 1022 1 11 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.076 -0.676 18203 1023 1 11 . 1 1 2 2 GLY H H 2 8.729 8.729 8.712 0.017 18203 1024 1 11 . 1 1 3 3 GLU N N 3 121.656 121.656 123.135 -1.479 18203 1025 1 11 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.888 0.227 18203 1026 1 11 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.820 -0.292 18203 1027 1 11 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.643 0.939 18203 1028 1 11 . 1 1 3 3 GLU H H 3 8.866 8.866 8.706 0.160 18203 1029 1 11 . 1 1 4 4 ARG N N 4 121.188 121.188 120.031 1.157 18203 1030 1 11 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.091 0.254 18203 1031 1 11 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.504 -1.658 18203 1032 1 11 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.221 1.054 18203 1033 1 11 . 1 1 4 4 ARG H H 4 8.778 8.778 8.534 0.244 18203 1034 1 11 . 1 1 5 5 CYS N N 5 118.492 118.492 118.397 0.095 18203 1035 1 11 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.296 0.497 18203 1036 1 11 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.057 -7.054 18203 1037 1 11 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.120 13.071 18203 1038 1 11 . 1 1 5 5 CYS H H 5 8.483 8.483 8.921 -0.438 18203 1039 1 11 . 1 1 6 6 CYS N N 6 114.976 114.976 118.258 -3.282 18203 1040 1 11 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.319 0.187 18203 1041 1 11 . 1 1 6 6 CYS CA C 6 56.808 56.808 60.622 -3.814 18203 1042 1 11 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.449 16.466 18203 1043 1 11 . 1 1 6 6 CYS H H 6 8.506 8.506 7.990 0.516 18203 1044 1 11 . 1 1 7 7 LYS N N 7 120.758 120.758 118.906 1.852 18203 1045 1 11 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.072 0.241 18203 1046 1 11 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.596 -1.708 18203 1047 1 11 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.483 0.208 18203 1048 1 11 . 1 1 7 7 LYS H H 7 8.003 8.003 8.125 -0.122 18203 1049 1 11 . 1 1 8 8 ASN N N 8 118.023 118.023 114.327 3.696 18203 1050 1 11 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.853 -0.044 18203 1051 1 11 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.301 -0.284 18203 1052 1 11 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.277 -1.544 18203 1053 1 11 . 1 1 8 8 ASN H H 8 8.635 8.635 8.076 0.559 18203 1054 1 11 . 1 1 9 9 GLY N N 9 108.647 108.647 110.432 -1.785 18203 1055 1 11 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.799 -1.368 18203 1056 1 11 . 1 1 9 9 GLY H H 9 8.273 8.273 8.363 -0.090 18203 1057 1 11 . 1 1 10 10 LYS N N 10 121.969 121.969 124.849 -2.880 18203 1058 1 11 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.019 0.266 18203 1059 1 11 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.676 -1.369 18203 1060 1 11 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.104 -2.100 18203 1061 1 11 . 1 1 10 10 LYS H H 10 8.595 8.595 8.442 0.153 18203 1062 1 11 . 1 1 11 11 ARG N N 11 119.937 119.937 116.395 3.542 18203 1063 1 11 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.330 -0.060 18203 1064 1 11 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.650 -0.268 18203 1065 1 11 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.714 -0.677 18203 1066 1 11 . 1 1 11 11 ARG H H 11 8.377 8.377 7.870 0.507 18203 1067 1 11 . 1 1 12 12 GLY N N 12 107.866 107.866 107.705 0.161 18203 1068 1 11 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.477 -0.286 18203 1069 1 11 . 1 1 12 12 GLY H H 12 8.045 8.045 7.735 0.310 18203 1070 1 11 . 1 1 13 13 CYS N N 13 118.687 118.687 121.149 -2.462 18203 1071 1 11 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.354 0.352 18203 1072 1 11 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.096 -4.703 18203 1073 1 11 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.188 18.342 18203 1074 1 11 . 1 1 13 13 CYS H H 13 8.174 8.174 7.988 0.186 18203 1075 1 11 . 1 1 14 14 GLY N N 14 111.655 111.655 112.818 -1.163 18203 1076 1 11 . 1 1 14 14 GLY CA C 14 44.357 44.357 45.033 -0.676 18203 1077 1 11 . 1 1 14 14 GLY H H 14 8.595 8.595 7.727 0.868 18203 1078 1 11 . 1 1 15 15 ARG N N 15 119.859 119.859 119.976 -0.117 18203 1079 1 11 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.017 -0.210 18203 1080 1 11 . 1 1 15 15 ARG CA C 15 60.024 60.024 58.997 1.027 18203 1081 1 11 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.416 -0.310 18203 1082 1 11 . 1 1 15 15 ARG H H 15 8.603 8.603 8.800 -0.197 18203 1083 1 11 . 1 1 16 16 TRP N N 16 118.804 118.804 121.984 -3.180 18203 1084 1 11 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.429 -0.020 18203 1085 1 11 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.784 1.990 18203 1086 1 11 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.937 -0.306 18203 1087 1 11 . 1 1 16 16 TRP H H 16 8.771 8.771 8.249 0.522 18203 1088 1 11 . 1 1 17 17 CYS N N 17 118.922 118.922 119.893 -0.971 18203 1089 1 11 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.023 0.411 18203 1090 1 11 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.101 -3.004 18203 1091 1 11 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.229 12.149 18203 1092 1 11 . 1 1 17 17 CYS H H 17 9.036 9.036 8.218 0.818 18203 1093 1 11 . 1 1 18 18 ARG N N 18 122.086 122.086 120.095 1.991 18203 1094 1 11 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.974 -0.029 18203 1095 1 11 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.804 0.147 18203 1096 1 11 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.235 -0.266 18203 1097 1 11 . 1 1 18 18 ARG H H 18 8.843 8.843 8.512 0.331 18203 1098 1 11 . 1 1 19 19 ASP N N 19 116.226 116.226 114.791 1.435 18203 1099 1 11 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.570 -0.137 18203 1100 1 11 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.740 -0.544 18203 1101 1 11 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.736 -0.856 18203 1102 1 11 . 1 1 19 19 ASP H H 19 7.696 7.696 8.001 -0.305 18203 1103 1 11 . 1 1 20 20 HIS N N 20 113.726 113.726 116.573 -2.847 18203 1104 1 11 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.635 -0.132 18203 1105 1 11 . 1 1 20 20 HIS CA C 20 56.641 56.641 55.983 0.658 18203 1106 1 11 . 1 1 20 20 HIS CB C 20 28.971 28.971 31.173 -2.202 18203 1107 1 11 . 1 1 20 20 HIS H H 20 7.545 7.545 8.380 -0.835 18203 1108 1 11 . 1 1 21 21 SER N N 21 115.523 115.523 114.068 1.455 18203 1109 1 11 . 1 1 21 21 SER HA H 21 4.865 4.865 4.659 0.206 18203 1110 1 11 . 1 1 21 21 SER CA C 21 57.689 57.689 57.727 -0.038 18203 1111 1 11 . 1 1 21 21 SER CB C 21 66.139 66.139 64.502 1.637 18203 1112 1 11 . 1 1 21 21 SER H H 21 8.156 8.156 8.636 -0.480 18203 1113 1 11 . 1 1 22 22 ARG N N 22 125.719 125.719 126.003 -0.284 18203 1114 1 11 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.354 0.048 18203 1115 1 11 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.897 0.067 18203 1116 1 11 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.314 1.456 18203 1117 1 11 . 1 1 22 22 ARG H H 22 9.179 9.179 8.796 0.383 18203 1118 1 11 . 1 1 23 23 CYS N N 23 116.539 116.539 120.169 -3.630 18203 1119 1 11 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.793 -0.289 18203 1120 1 11 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.519 -1.769 18203 1121 1 11 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.047 17.039 18203 1122 1 11 . 1 1 23 23 CYS H H 23 8.354 8.354 8.345 0.009 18203 1123 1 12 . 1 1 2 2 GLY N N 2 113.101 113.101 113.497 -0.396 18203 1124 1 12 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.485 -0.085 18203 1125 1 12 . 1 1 2 2 GLY H H 2 8.729 8.729 8.638 0.091 18203 1126 1 12 . 1 1 3 3 GLU N N 3 121.656 121.656 121.006 0.650 18203 1127 1 12 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.004 0.111 18203 1128 1 12 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.808 -0.280 18203 1129 1 12 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.159 0.423 18203 1130 1 12 . 1 1 3 3 GLU H H 3 8.866 8.866 8.920 -0.054 18203 1131 1 12 . 1 1 4 4 ARG N N 4 121.188 121.188 119.509 1.679 18203 1132 1 12 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.071 0.274 18203 1133 1 12 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.204 -1.358 18203 1134 1 12 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.829 1.446 18203 1135 1 12 . 1 1 4 4 ARG H H 4 8.778 8.778 8.143 0.635 18203 1136 1 12 . 1 1 5 5 CYS N N 5 118.492 118.492 118.364 0.128 18203 1137 1 12 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.214 0.579 18203 1138 1 12 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.393 -7.390 18203 1139 1 12 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.106 13.085 18203 1140 1 12 . 1 1 5 5 CYS H H 5 8.483 8.483 8.611 -0.128 18203 1141 1 12 . 1 1 6 6 CYS N N 6 114.976 114.976 119.203 -4.227 18203 1142 1 12 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.249 0.257 18203 1143 1 12 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.001 -4.193 18203 1144 1 12 . 1 1 6 6 CYS CB C 6 42.915 42.915 25.723 17.192 18203 1145 1 12 . 1 1 6 6 CYS H H 6 8.506 8.506 8.196 0.310 18203 1146 1 12 . 1 1 7 7 LYS N N 7 120.758 120.758 119.645 1.113 18203 1147 1 12 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.038 0.275 18203 1148 1 12 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.658 -1.770 18203 1149 1 12 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.121 0.570 18203 1150 1 12 . 1 1 7 7 LYS H H 7 8.003 8.003 8.000 0.003 18203 1151 1 12 . 1 1 8 8 ASN N N 8 118.023 118.023 114.403 3.620 18203 1152 1 12 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.821 -0.012 18203 1153 1 12 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.179 -0.162 18203 1154 1 12 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.683 -1.950 18203 1155 1 12 . 1 1 8 8 ASN H H 8 8.635 8.635 7.696 0.939 18203 1156 1 12 . 1 1 9 9 GLY N N 9 108.647 108.647 110.166 -1.519 18203 1157 1 12 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.797 -1.366 18203 1158 1 12 . 1 1 9 9 GLY H H 9 8.273 8.273 8.485 -0.212 18203 1159 1 12 . 1 1 10 10 LYS N N 10 121.969 121.969 124.144 -2.175 18203 1160 1 12 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.036 0.249 18203 1161 1 12 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.254 -0.947 18203 1162 1 12 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.117 -2.113 18203 1163 1 12 . 1 1 10 10 LYS H H 10 8.595 8.595 8.427 0.168 18203 1164 1 12 . 1 1 11 11 ARG N N 11 119.937 119.937 116.648 3.289 18203 1165 1 12 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.276 -0.006 18203 1166 1 12 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.544 -0.162 18203 1167 1 12 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.445 -0.408 18203 1168 1 12 . 1 1 11 11 ARG H H 11 8.377 8.377 8.093 0.284 18203 1169 1 12 . 1 1 12 12 GLY N N 12 107.866 107.866 107.599 0.267 18203 1170 1 12 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.633 -0.442 18203 1171 1 12 . 1 1 12 12 GLY H H 12 8.045 8.045 7.852 0.193 18203 1172 1 12 . 1 1 13 13 CYS N N 13 118.687 118.687 119.915 -1.228 18203 1173 1 12 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.245 0.461 18203 1174 1 12 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.507 -5.114 18203 1175 1 12 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.407 18.123 18203 1176 1 12 . 1 1 13 13 CYS H H 13 8.174 8.174 7.676 0.498 18203 1177 1 12 . 1 1 14 14 GLY N N 14 111.655 111.655 111.838 -0.183 18203 1178 1 12 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.941 -0.585 18203 1179 1 12 . 1 1 14 14 GLY H H 14 8.595 8.595 7.747 0.848 18203 1180 1 12 . 1 1 15 15 ARG N N 15 119.859 119.859 120.344 -0.485 18203 1181 1 12 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.059 -0.252 18203 1182 1 12 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.271 0.753 18203 1183 1 12 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.108 -0.002 18203 1184 1 12 . 1 1 15 15 ARG H H 15 8.603 8.603 8.736 -0.133 18203 1185 1 12 . 1 1 16 16 TRP N N 16 118.804 118.804 121.476 -2.672 18203 1186 1 12 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.387 0.022 18203 1187 1 12 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.227 1.547 18203 1188 1 12 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.278 -0.647 18203 1189 1 12 . 1 1 16 16 TRP H H 16 8.771 8.771 8.123 0.648 18203 1190 1 12 . 1 1 17 17 CYS N N 17 118.922 118.922 119.856 -0.934 18203 1191 1 12 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.249 0.185 18203 1192 1 12 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.982 -1.885 18203 1193 1 12 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.685 12.693 18203 1194 1 12 . 1 1 17 17 CYS H H 17 9.036 9.036 8.838 0.198 18203 1195 1 12 . 1 1 18 18 ARG N N 18 122.086 122.086 119.680 2.406 18203 1196 1 12 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.051 -0.106 18203 1197 1 12 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.612 0.339 18203 1198 1 12 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.146 -0.177 18203 1199 1 12 . 1 1 18 18 ARG H H 18 8.843 8.843 8.829 0.014 18203 1200 1 12 . 1 1 19 19 ASP N N 19 116.226 116.226 116.239 -0.013 18203 1201 1 12 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.580 -0.147 18203 1202 1 12 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.794 -0.598 18203 1203 1 12 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.261 -1.382 18203 1204 1 12 . 1 1 19 19 ASP H H 19 7.696 7.696 8.171 -0.475 18203 1205 1 12 . 1 1 20 20 HIS N N 20 113.726 113.726 116.533 -2.807 18203 1206 1 12 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.484 0.019 18203 1207 1 12 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.096 0.545 18203 1208 1 12 . 1 1 20 20 HIS CB C 20 28.971 28.971 31.096 -2.125 18203 1209 1 12 . 1 1 20 20 HIS H H 20 7.545 7.545 8.704 -1.159 18203 1210 1 12 . 1 1 21 21 SER N N 21 115.523 115.523 113.639 1.884 18203 1211 1 12 . 1 1 21 21 SER HA H 21 4.865 4.865 4.809 0.056 18203 1212 1 12 . 1 1 21 21 SER CA C 21 57.689 57.689 57.302 0.387 18203 1213 1 12 . 1 1 21 21 SER CB C 21 66.139 66.139 66.027 0.112 18203 1214 1 12 . 1 1 21 21 SER H H 21 8.156 8.156 8.409 -0.253 18203 1215 1 12 . 1 1 22 22 ARG N N 22 125.719 125.719 121.715 4.004 18203 1216 1 12 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.427 -0.025 18203 1217 1 12 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.879 0.085 18203 1218 1 12 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.383 -0.612 18203 1219 1 12 . 1 1 22 22 ARG H H 22 9.179 9.179 8.532 0.647 18203 1220 1 12 . 1 1 23 23 CYS N N 23 116.539 116.539 119.066 -2.527 18203 1221 1 12 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.287 0.217 18203 1222 1 12 . 1 1 23 23 CYS CA C 23 56.750 56.750 60.292 -3.542 18203 1223 1 12 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.080 17.006 18203 1224 1 12 . 1 1 23 23 CYS H H 23 8.354 8.354 8.288 0.066 18203 1225 1 13 . 1 1 2 2 GLY N N 2 113.101 113.101 114.484 -1.383 18203 1226 1 13 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.339 0.061 18203 1227 1 13 . 1 1 2 2 GLY H H 2 8.729 8.729 8.282 0.447 18203 1228 1 13 . 1 1 3 3 GLU N N 3 121.656 121.656 122.124 -0.468 18203 1229 1 13 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.924 0.191 18203 1230 1 13 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.148 -0.620 18203 1231 1 13 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.888 0.694 18203 1232 1 13 . 1 1 3 3 GLU H H 3 8.866 8.866 9.114 -0.248 18203 1233 1 13 . 1 1 4 4 ARG N N 4 121.188 121.188 120.467 0.721 18203 1234 1 13 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.145 0.200 18203 1235 1 13 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.393 -1.547 18203 1236 1 13 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.058 1.217 18203 1237 1 13 . 1 1 4 4 ARG H H 4 8.778 8.778 8.639 0.139 18203 1238 1 13 . 1 1 5 5 CYS N N 5 118.492 118.492 117.970 0.522 18203 1239 1 13 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.277 0.516 18203 1240 1 13 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.147 -7.144 18203 1241 1 13 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.328 12.863 18203 1242 1 13 . 1 1 5 5 CYS H H 5 8.483 8.483 8.692 -0.209 18203 1243 1 13 . 1 1 6 6 CYS N N 6 114.976 114.976 118.411 -3.435 18203 1244 1 13 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.264 0.242 18203 1245 1 13 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.119 -4.311 18203 1246 1 13 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.020 16.895 18203 1247 1 13 . 1 1 6 6 CYS H H 6 8.506 8.506 8.460 0.046 18203 1248 1 13 . 1 1 7 7 LYS N N 7 120.758 120.758 117.581 3.177 18203 1249 1 13 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.144 0.169 18203 1250 1 13 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.017 -1.129 18203 1251 1 13 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.220 0.471 18203 1252 1 13 . 1 1 7 7 LYS H H 7 8.003 8.003 7.944 0.059 18203 1253 1 13 . 1 1 8 8 ASN N N 8 118.023 118.023 114.588 3.435 18203 1254 1 13 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.882 -0.073 18203 1255 1 13 . 1 1 8 8 ASN CA C 8 53.017 53.017 52.887 0.130 18203 1256 1 13 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.064 -2.331 18203 1257 1 13 . 1 1 8 8 ASN H H 8 8.635 8.635 7.578 1.057 18203 1258 1 13 . 1 1 9 9 GLY N N 9 108.647 108.647 111.058 -2.411 18203 1259 1 13 . 1 1 9 9 GLY CA C 9 45.431 45.431 47.120 -1.689 18203 1260 1 13 . 1 1 9 9 GLY H H 9 8.273 8.273 8.700 -0.427 18203 1261 1 13 . 1 1 10 10 LYS N N 10 121.969 121.969 123.902 -1.933 18203 1262 1 13 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.053 0.232 18203 1263 1 13 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.214 -0.907 18203 1264 1 13 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.041 -2.037 18203 1265 1 13 . 1 1 10 10 LYS H H 10 8.595 8.595 8.308 0.287 18203 1266 1 13 . 1 1 11 11 ARG N N 11 119.937 119.937 116.559 3.378 18203 1267 1 13 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.410 -0.140 18203 1268 1 13 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.130 0.252 18203 1269 1 13 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.656 -0.619 18203 1270 1 13 . 1 1 11 11 ARG H H 11 8.377 8.377 8.408 -0.031 18203 1271 1 13 . 1 1 12 12 GLY N N 12 107.866 107.866 107.721 0.145 18203 1272 1 13 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.068 0.123 18203 1273 1 13 . 1 1 12 12 GLY H H 12 8.045 8.045 7.842 0.203 18203 1274 1 13 . 1 1 13 13 CYS N N 13 118.687 118.687 120.819 -2.132 18203 1275 1 13 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.182 0.524 18203 1276 1 13 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.393 -4.000 18203 1277 1 13 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.690 17.840 18203 1278 1 13 . 1 1 13 13 CYS H H 13 8.174 8.174 7.914 0.260 18203 1279 1 13 . 1 1 14 14 GLY N N 14 111.655 111.655 113.523 -1.868 18203 1280 1 13 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.655 -0.298 18203 1281 1 13 . 1 1 14 14 GLY H H 14 8.595 8.595 7.784 0.811 18203 1282 1 13 . 1 1 15 15 ARG N N 15 119.859 119.859 120.758 -0.899 18203 1283 1 13 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.091 -0.284 18203 1284 1 13 . 1 1 15 15 ARG CA C 15 60.024 60.024 60.251 -0.227 18203 1285 1 13 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.398 -0.292 18203 1286 1 13 . 1 1 15 15 ARG H H 15 8.603 8.603 8.918 -0.315 18203 1287 1 13 . 1 1 16 16 TRP N N 16 118.804 118.804 119.853 -1.049 18203 1288 1 13 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.465 -0.056 18203 1289 1 13 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.808 1.966 18203 1290 1 13 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.975 -0.344 18203 1291 1 13 . 1 1 16 16 TRP H H 16 8.771 8.771 7.808 0.963 18203 1292 1 13 . 1 1 17 17 CYS N N 17 118.922 118.922 119.552 -0.630 18203 1293 1 13 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.905 0.529 18203 1294 1 13 . 1 1 17 17 CYS CA C 17 59.097 59.097 61.787 -2.690 18203 1295 1 13 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.073 12.305 18203 1296 1 13 . 1 1 17 17 CYS H H 17 9.036 9.036 8.846 0.190 18203 1297 1 13 . 1 1 18 18 ARG N N 18 122.086 122.086 120.433 1.653 18203 1298 1 13 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.949 -0.004 18203 1299 1 13 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.998 -0.047 18203 1300 1 13 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.135 -0.166 18203 1301 1 13 . 1 1 18 18 ARG H H 18 8.843 8.843 8.710 0.133 18203 1302 1 13 . 1 1 19 19 ASP N N 19 116.226 116.226 116.704 -0.478 18203 1303 1 13 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.565 -0.132 18203 1304 1 13 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.842 -1.646 18203 1305 1 13 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.570 -0.691 18203 1306 1 13 . 1 1 19 19 ASP H H 19 7.696 7.696 7.993 -0.297 18203 1307 1 13 . 1 1 20 20 HIS N N 20 113.726 113.726 117.128 -3.402 18203 1308 1 13 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.333 0.170 18203 1309 1 13 . 1 1 20 20 HIS CA C 20 56.641 56.641 57.658 -1.017 18203 1310 1 13 . 1 1 20 20 HIS CB C 20 28.971 28.971 29.725 -0.754 18203 1311 1 13 . 1 1 20 20 HIS H H 20 7.545 7.545 8.669 -1.124 18203 1312 1 13 . 1 1 21 21 SER N N 21 115.523 115.523 113.256 2.267 18203 1313 1 13 . 1 1 21 21 SER HA H 21 4.865 4.865 4.641 0.224 18203 1314 1 13 . 1 1 21 21 SER CA C 21 57.689 57.689 57.318 0.371 18203 1315 1 13 . 1 1 21 21 SER CB C 21 66.139 66.139 63.750 2.389 18203 1316 1 13 . 1 1 21 21 SER H H 21 8.156 8.156 8.572 -0.416 18203 1317 1 13 . 1 1 22 22 ARG N N 22 125.719 125.719 127.254 -1.535 18203 1318 1 13 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.197 0.205 18203 1319 1 13 . 1 1 22 22 ARG CA C 22 56.964 56.964 57.414 -0.450 18203 1320 1 13 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.237 1.534 18203 1321 1 13 . 1 1 22 22 ARG H H 22 9.179 9.179 8.817 0.362 18203 1322 1 13 . 1 1 23 23 CYS N N 23 116.539 116.539 119.908 -3.369 18203 1323 1 13 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.760 -0.256 18203 1324 1 13 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.367 -1.617 18203 1325 1 13 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.480 16.605 18203 1326 1 13 . 1 1 23 23 CYS H H 23 8.354 8.354 8.851 -0.497 18203 1327 1 14 . 1 1 2 2 GLY N N 2 113.101 113.101 105.777 7.324 18203 1328 1 14 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.529 -0.128 18203 1329 1 14 . 1 1 2 2 GLY H H 2 8.729 8.729 8.758 -0.029 18203 1330 1 14 . 1 1 3 3 GLU N N 3 121.656 121.656 121.285 0.371 18203 1331 1 14 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.038 0.077 18203 1332 1 14 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.754 -0.226 18203 1333 1 14 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.993 0.589 18203 1334 1 14 . 1 1 3 3 GLU H H 3 8.866 8.866 8.897 -0.031 18203 1335 1 14 . 1 1 4 4 ARG N N 4 121.188 121.188 120.031 1.157 18203 1336 1 14 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.097 0.248 18203 1337 1 14 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.536 -1.690 18203 1338 1 14 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.900 1.375 18203 1339 1 14 . 1 1 4 4 ARG H H 4 8.778 8.778 8.672 0.106 18203 1340 1 14 . 1 1 5 5 CYS N N 5 118.492 118.492 119.562 -1.070 18203 1341 1 14 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.419 0.374 18203 1342 1 14 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.386 -7.383 18203 1343 1 14 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.517 13.674 18203 1344 1 14 . 1 1 5 5 CYS H H 5 8.483 8.483 8.676 -0.193 18203 1345 1 14 . 1 1 6 6 CYS N N 6 114.976 114.976 117.739 -2.763 18203 1346 1 14 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.379 0.127 18203 1347 1 14 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.039 -4.231 18203 1348 1 14 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.336 16.579 18203 1349 1 14 . 1 1 6 6 CYS H H 6 8.506 8.506 8.272 0.234 18203 1350 1 14 . 1 1 7 7 LYS N N 7 120.758 120.758 118.787 1.971 18203 1351 1 14 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.185 0.128 18203 1352 1 14 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.597 -1.709 18203 1353 1 14 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.592 0.100 18203 1354 1 14 . 1 1 7 7 LYS H H 7 8.003 8.003 8.236 -0.233 18203 1355 1 14 . 1 1 8 8 ASN N N 8 118.023 118.023 114.932 3.091 18203 1356 1 14 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.925 -0.116 18203 1357 1 14 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.784 -0.767 18203 1358 1 14 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.450 -2.717 18203 1359 1 14 . 1 1 8 8 ASN H H 8 8.635 8.635 7.979 0.656 18203 1360 1 14 . 1 1 9 9 GLY N N 9 108.647 108.647 110.577 -1.930 18203 1361 1 14 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.819 -1.388 18203 1362 1 14 . 1 1 9 9 GLY H H 9 8.273 8.273 8.917 -0.644 18203 1363 1 14 . 1 1 10 10 LYS N N 10 121.969 121.969 124.618 -2.649 18203 1364 1 14 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.071 0.214 18203 1365 1 14 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.276 -0.970 18203 1366 1 14 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.996 -1.992 18203 1367 1 14 . 1 1 10 10 LYS H H 10 8.595 8.595 8.301 0.294 18203 1368 1 14 . 1 1 11 11 ARG N N 11 119.937 119.937 116.605 3.332 18203 1369 1 14 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.313 -0.043 18203 1370 1 14 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.273 0.109 18203 1371 1 14 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.500 -0.463 18203 1372 1 14 . 1 1 11 11 ARG H H 11 8.377 8.377 8.026 0.351 18203 1373 1 14 . 1 1 12 12 GLY N N 12 107.866 107.866 107.230 0.636 18203 1374 1 14 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.169 0.023 18203 1375 1 14 . 1 1 12 12 GLY H H 12 8.045 8.045 7.810 0.235 18203 1376 1 14 . 1 1 13 13 CYS N N 13 118.687 118.687 121.769 -3.082 18203 1377 1 14 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.260 0.446 18203 1378 1 14 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.546 -5.153 18203 1379 1 14 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.586 17.944 18203 1380 1 14 . 1 1 13 13 CYS H H 13 8.174 8.174 8.261 -0.087 18203 1381 1 14 . 1 1 14 14 GLY N N 14 111.655 111.655 112.571 -0.916 18203 1382 1 14 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.834 -0.477 18203 1383 1 14 . 1 1 14 14 GLY H H 14 8.595 8.595 7.837 0.758 18203 1384 1 14 . 1 1 15 15 ARG N N 15 119.859 119.859 120.710 -0.851 18203 1385 1 14 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.197 -0.390 18203 1386 1 14 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.527 0.497 18203 1387 1 14 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.141 -0.035 18203 1388 1 14 . 1 1 15 15 ARG H H 15 8.603 8.603 8.879 -0.276 18203 1389 1 14 . 1 1 16 16 TRP N N 16 118.804 118.804 119.630 -0.826 18203 1390 1 14 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.461 -0.052 18203 1391 1 14 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.854 1.920 18203 1392 1 14 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.927 -0.296 18203 1393 1 14 . 1 1 16 16 TRP H H 16 8.771 8.771 7.818 0.953 18203 1394 1 14 . 1 1 17 17 CYS N N 17 118.922 118.922 119.227 -0.305 18203 1395 1 14 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.260 0.174 18203 1396 1 14 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.429 -3.332 18203 1397 1 14 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.517 12.861 18203 1398 1 14 . 1 1 17 17 CYS H H 17 9.036 9.036 8.894 0.142 18203 1399 1 14 . 1 1 18 18 ARG N N 18 122.086 122.086 120.476 1.610 18203 1400 1 14 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.015 -0.070 18203 1401 1 14 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.617 0.334 18203 1402 1 14 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.107 -0.138 18203 1403 1 14 . 1 1 18 18 ARG H H 18 8.843 8.843 8.544 0.299 18203 1404 1 14 . 1 1 19 19 ASP N N 19 116.226 116.226 115.927 0.299 18203 1405 1 14 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.538 -0.105 18203 1406 1 14 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.619 -0.423 18203 1407 1 14 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.929 -1.050 18203 1408 1 14 . 1 1 19 19 ASP H H 19 7.696 7.696 7.954 -0.258 18203 1409 1 14 . 1 1 20 20 HIS N N 20 113.726 113.726 116.570 -2.844 18203 1410 1 14 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.460 0.043 18203 1411 1 14 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.404 0.237 18203 1412 1 14 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.514 -1.542 18203 1413 1 14 . 1 1 20 20 HIS H H 20 7.545 7.545 8.670 -1.125 18203 1414 1 14 . 1 1 21 21 SER N N 21 115.523 115.523 113.482 2.041 18203 1415 1 14 . 1 1 21 21 SER HA H 21 4.865 4.865 4.765 0.100 18203 1416 1 14 . 1 1 21 21 SER CA C 21 57.689 57.689 56.824 0.865 18203 1417 1 14 . 1 1 21 21 SER CB C 21 66.139 66.139 65.700 0.439 18203 1418 1 14 . 1 1 21 21 SER H H 21 8.156 8.156 8.032 0.124 18203 1419 1 14 . 1 1 22 22 ARG N N 22 125.719 125.719 120.847 4.872 18203 1420 1 14 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.502 -0.100 18203 1421 1 14 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.514 0.450 18203 1422 1 14 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.326 -0.555 18203 1423 1 14 . 1 1 22 22 ARG H H 22 9.179 9.179 8.492 0.687 18203 1424 1 14 . 1 1 23 23 CYS N N 23 116.539 116.539 118.625 -2.086 18203 1425 1 14 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.440 0.064 18203 1426 1 14 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.293 -2.543 18203 1427 1 14 . 1 1 23 23 CYS CB C 23 44.086 44.086 25.911 18.175 18203 1428 1 14 . 1 1 23 23 CYS H H 23 8.354 8.354 8.475 -0.121 18203 1429 1 15 . 1 1 2 2 GLY N N 2 113.101 113.101 111.813 1.288 18203 1430 1 15 . 1 1 2 2 GLY CA C 2 45.400 45.400 46.582 -1.182 18203 1431 1 15 . 1 1 2 2 GLY H H 2 8.729 8.729 8.733 -0.004 18203 1432 1 15 . 1 1 3 3 GLU N N 3 121.656 121.656 122.072 -0.416 18203 1433 1 15 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.824 0.291 18203 1434 1 15 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.276 -0.749 18203 1435 1 15 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.261 0.322 18203 1436 1 15 . 1 1 3 3 GLU H H 3 8.866 8.866 8.469 0.397 18203 1437 1 15 . 1 1 4 4 ARG N N 4 121.188 121.188 120.633 0.555 18203 1438 1 15 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.101 0.243 18203 1439 1 15 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.558 -1.712 18203 1440 1 15 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.198 1.077 18203 1441 1 15 . 1 1 4 4 ARG H H 4 8.778 8.778 8.627 0.151 18203 1442 1 15 . 1 1 5 5 CYS N N 5 118.492 118.492 117.611 0.881 18203 1443 1 15 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.158 0.635 18203 1444 1 15 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.521 -7.518 18203 1445 1 15 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.762 13.430 18203 1446 1 15 . 1 1 5 5 CYS H H 5 8.483 8.483 9.039 -0.556 18203 1447 1 15 . 1 1 6 6 CYS N N 6 114.976 114.976 118.145 -3.169 18203 1448 1 15 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.287 0.219 18203 1449 1 15 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.010 -5.202 18203 1450 1 15 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.521 16.394 18203 1451 1 15 . 1 1 6 6 CYS H H 6 8.506 8.506 8.535 -0.029 18203 1452 1 15 . 1 1 7 7 LYS N N 7 120.758 120.758 117.289 3.469 18203 1453 1 15 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.092 0.221 18203 1454 1 15 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.654 -1.766 18203 1455 1 15 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.365 0.326 18203 1456 1 15 . 1 1 7 7 LYS H H 7 8.003 8.003 8.430 -0.427 18203 1457 1 15 . 1 1 8 8 ASN N N 8 118.023 118.023 114.507 3.516 18203 1458 1 15 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.951 -0.142 18203 1459 1 15 . 1 1 8 8 ASN CA C 8 53.017 53.017 52.868 0.149 18203 1460 1 15 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.480 -2.747 18203 1461 1 15 . 1 1 8 8 ASN H H 8 8.635 8.635 7.618 1.017 18203 1462 1 15 . 1 1 9 9 GLY N N 9 108.647 108.647 110.291 -1.644 18203 1463 1 15 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.971 -1.540 18203 1464 1 15 . 1 1 9 9 GLY H H 9 8.273 8.273 8.604 -0.331 18203 1465 1 15 . 1 1 10 10 LYS N N 10 121.969 121.969 124.058 -2.089 18203 1466 1 15 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.043 0.242 18203 1467 1 15 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.229 -0.922 18203 1468 1 15 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.734 -1.730 18203 1469 1 15 . 1 1 10 10 LYS H H 10 8.595 8.595 8.645 -0.050 18203 1470 1 15 . 1 1 11 11 ARG N N 11 119.937 119.937 117.990 1.947 18203 1471 1 15 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.270 0.000 18203 1472 1 15 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.881 -0.499 18203 1473 1 15 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.428 -0.391 18203 1474 1 15 . 1 1 11 11 ARG H H 11 8.377 8.377 8.191 0.186 18203 1475 1 15 . 1 1 12 12 GLY N N 12 107.866 107.866 107.137 0.729 18203 1476 1 15 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.848 0.343 18203 1477 1 15 . 1 1 12 12 GLY H H 12 8.045 8.045 8.146 -0.101 18203 1478 1 15 . 1 1 13 13 CYS N N 13 118.687 118.687 119.860 -1.173 18203 1479 1 15 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.246 0.460 18203 1480 1 15 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.708 -5.315 18203 1481 1 15 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.644 16.886 18203 1482 1 15 . 1 1 13 13 CYS H H 13 8.174 8.174 7.680 0.494 18203 1483 1 15 . 1 1 14 14 GLY N N 14 111.655 111.655 110.020 1.635 18203 1484 1 15 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.596 -0.239 18203 1485 1 15 . 1 1 14 14 GLY H H 14 8.595 8.595 7.884 0.711 18203 1486 1 15 . 1 1 15 15 ARG N N 15 119.859 119.859 119.011 0.848 18203 1487 1 15 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.070 -0.263 18203 1488 1 15 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.598 0.426 18203 1489 1 15 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.123 -0.017 18203 1490 1 15 . 1 1 15 15 ARG H H 15 8.603 8.603 8.854 -0.251 18203 1491 1 15 . 1 1 16 16 TRP N N 16 118.804 118.804 121.123 -2.319 18203 1492 1 15 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.341 0.068 18203 1493 1 15 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.865 1.909 18203 1494 1 15 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.996 -0.365 18203 1495 1 15 . 1 1 16 16 TRP H H 16 8.771 8.771 7.639 1.132 18203 1496 1 15 . 1 1 17 17 CYS N N 17 118.922 118.922 119.389 -0.467 18203 1497 1 15 . 1 1 17 17 CYS HA H 17 4.434 4.434 3.897 0.537 18203 1498 1 15 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.586 -3.489 18203 1499 1 15 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.871 12.507 18203 1500 1 15 . 1 1 17 17 CYS H H 17 9.036 9.036 8.868 0.168 18203 1501 1 15 . 1 1 18 18 ARG N N 18 122.086 122.086 120.773 1.313 18203 1502 1 15 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.969 -0.024 18203 1503 1 15 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.806 0.145 18203 1504 1 15 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.167 -0.198 18203 1505 1 15 . 1 1 18 18 ARG H H 18 8.843 8.843 8.709 0.134 18203 1506 1 15 . 1 1 19 19 ASP N N 19 116.226 116.226 115.046 1.180 18203 1507 1 15 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.601 -0.168 18203 1508 1 15 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.827 -0.631 18203 1509 1 15 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.708 -0.829 18203 1510 1 15 . 1 1 19 19 ASP H H 19 7.696 7.696 8.195 -0.499 18203 1511 1 15 . 1 1 20 20 HIS N N 20 113.726 113.726 116.293 -2.567 18203 1512 1 15 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.640 -0.137 18203 1513 1 15 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.054 0.587 18203 1514 1 15 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.703 -1.732 18203 1515 1 15 . 1 1 20 20 HIS H H 20 7.545 7.545 8.405 -0.860 18203 1516 1 15 . 1 1 21 21 SER N N 21 115.523 115.523 112.809 2.714 18203 1517 1 15 . 1 1 21 21 SER HA H 21 4.865 4.865 4.696 0.170 18203 1518 1 15 . 1 1 21 21 SER CA C 21 57.689 57.689 57.137 0.552 18203 1519 1 15 . 1 1 21 21 SER CB C 21 66.139 66.139 65.175 0.964 18203 1520 1 15 . 1 1 21 21 SER H H 21 8.156 8.156 8.409 -0.253 18203 1521 1 15 . 1 1 22 22 ARG N N 22 125.719 125.719 121.713 4.006 18203 1522 1 15 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.432 -0.030 18203 1523 1 15 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.888 0.076 18203 1524 1 15 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.271 -0.500 18203 1525 1 15 . 1 1 22 22 ARG H H 22 9.179 9.179 8.474 0.705 18203 1526 1 15 . 1 1 23 23 CYS N N 23 116.539 116.539 121.811 -5.272 18203 1527 1 15 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.392 0.112 18203 1528 1 15 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.267 -2.517 18203 1529 1 15 . 1 1 23 23 CYS CB C 23 44.086 44.086 24.250 19.836 18203 1530 1 15 . 1 1 23 23 CYS H H 23 8.354 8.354 8.077 0.277 18203 1531 1 16 . 1 1 2 2 GLY N N 2 113.101 113.101 114.417 -1.316 18203 1532 1 16 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.438 -0.038 18203 1533 1 16 . 1 1 2 2 GLY H H 2 8.729 8.729 8.543 0.185 18203 1534 1 16 . 1 1 3 3 GLU N N 3 121.656 121.656 121.501 0.155 18203 1535 1 16 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.020 0.095 18203 1536 1 16 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.145 -0.617 18203 1537 1 16 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.888 0.694 18203 1538 1 16 . 1 1 3 3 GLU H H 3 8.866 8.866 9.062 -0.196 18203 1539 1 16 . 1 1 4 4 ARG N N 4 121.188 121.188 119.214 1.974 18203 1540 1 16 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.149 0.196 18203 1541 1 16 . 1 1 4 4 ARG CA C 4 56.846 56.846 57.172 -0.326 18203 1542 1 16 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.779 1.496 18203 1543 1 16 . 1 1 4 4 ARG H H 4 8.778 8.778 8.246 0.532 18203 1544 1 16 . 1 1 5 5 CYS N N 5 118.492 118.492 119.677 -1.185 18203 1545 1 16 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.267 0.526 18203 1546 1 16 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.197 -7.194 18203 1547 1 16 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.054 13.137 18203 1548 1 16 . 1 1 5 5 CYS H H 5 8.483 8.483 8.588 -0.105 18203 1549 1 16 . 1 1 6 6 CYS N N 6 114.976 114.976 119.366 -4.390 18203 1550 1 16 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.229 0.277 18203 1551 1 16 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.851 -5.043 18203 1552 1 16 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.135 16.780 18203 1553 1 16 . 1 1 6 6 CYS H H 6 8.506 8.506 8.565 -0.059 18203 1554 1 16 . 1 1 7 7 LYS N N 7 120.758 120.758 117.501 3.257 18203 1555 1 16 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.149 0.164 18203 1556 1 16 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.058 -1.170 18203 1557 1 16 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.321 0.371 18203 1558 1 16 . 1 1 7 7 LYS H H 7 8.003 8.003 7.686 0.317 18203 1559 1 16 . 1 1 8 8 ASN N N 8 118.023 118.023 114.329 3.694 18203 1560 1 16 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.830 -0.021 18203 1561 1 16 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.157 -0.141 18203 1562 1 16 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.041 -2.308 18203 1563 1 16 . 1 1 8 8 ASN H H 8 8.635 8.635 8.000 0.635 18203 1564 1 16 . 1 1 9 9 GLY N N 9 108.647 108.647 110.452 -1.805 18203 1565 1 16 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.654 -1.224 18203 1566 1 16 . 1 1 9 9 GLY H H 9 8.273 8.273 8.684 -0.411 18203 1567 1 16 . 1 1 10 10 LYS N N 10 121.969 121.969 124.121 -2.152 18203 1568 1 16 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.045 0.240 18203 1569 1 16 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.245 -0.938 18203 1570 1 16 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.248 -2.244 18203 1571 1 16 . 1 1 10 10 LYS H H 10 8.595 8.595 8.313 0.282 18203 1572 1 16 . 1 1 11 11 ARG N N 11 119.937 119.937 116.004 3.933 18203 1573 1 16 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.249 0.021 18203 1574 1 16 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.750 -0.368 18203 1575 1 16 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.434 -0.397 18203 1576 1 16 . 1 1 11 11 ARG H H 11 8.377 8.377 7.773 0.604 18203 1577 1 16 . 1 1 12 12 GLY N N 12 107.866 107.866 106.652 1.214 18203 1578 1 16 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.343 -0.152 18203 1579 1 16 . 1 1 12 12 GLY H H 12 8.045 8.045 7.434 0.611 18203 1580 1 16 . 1 1 13 13 CYS N N 13 118.687 118.687 120.145 -1.458 18203 1581 1 16 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.218 0.488 18203 1582 1 16 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.380 -3.986 18203 1583 1 16 . 1 1 13 13 CYS CB C 13 43.530 43.530 24.948 18.581 18203 1584 1 16 . 1 1 13 13 CYS H H 13 8.174 8.174 7.640 0.534 18203 1585 1 16 . 1 1 14 14 GLY N N 14 111.655 111.655 115.463 -3.808 18203 1586 1 16 . 1 1 14 14 GLY CA C 14 44.357 44.357 45.049 -0.692 18203 1587 1 16 . 1 1 14 14 GLY H H 14 8.595 8.595 7.872 0.723 18203 1588 1 16 . 1 1 15 15 ARG N N 15 119.859 119.859 121.426 -1.567 18203 1589 1 16 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.109 -0.302 18203 1590 1 16 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.352 0.672 18203 1591 1 16 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.198 -0.092 18203 1592 1 16 . 1 1 15 15 ARG H H 15 8.603 8.603 8.798 -0.195 18203 1593 1 16 . 1 1 16 16 TRP N N 16 118.804 118.804 119.752 -0.948 18203 1594 1 16 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.383 0.026 18203 1595 1 16 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.327 1.447 18203 1596 1 16 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.066 -0.435 18203 1597 1 16 . 1 1 16 16 TRP H H 16 8.771 8.771 8.193 0.578 18203 1598 1 16 . 1 1 17 17 CYS N N 17 118.922 118.922 118.680 0.242 18203 1599 1 16 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.405 0.029 18203 1600 1 16 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.652 -1.555 18203 1601 1 16 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.166 12.213 18203 1602 1 16 . 1 1 17 17 CYS H H 17 9.036 9.036 8.790 0.246 18203 1603 1 16 . 1 1 18 18 ARG N N 18 122.086 122.086 120.202 1.884 18203 1604 1 16 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.196 -0.251 18203 1605 1 16 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.091 0.860 18203 1606 1 16 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.433 -0.464 18203 1607 1 16 . 1 1 18 18 ARG H H 18 8.843 8.843 8.633 0.210 18203 1608 1 16 . 1 1 19 19 ASP N N 19 116.226 116.226 115.326 0.900 18203 1609 1 16 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.575 -0.142 18203 1610 1 16 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.104 -0.908 18203 1611 1 16 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.818 -0.939 18203 1612 1 16 . 1 1 19 19 ASP H H 19 7.696 7.696 8.125 -0.429 18203 1613 1 16 . 1 1 20 20 HIS N N 20 113.726 113.726 117.455 -3.729 18203 1614 1 16 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.345 0.158 18203 1615 1 16 . 1 1 20 20 HIS CA C 20 56.641 56.641 57.342 -0.701 18203 1616 1 16 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.331 -1.360 18203 1617 1 16 . 1 1 20 20 HIS H H 20 7.545 7.545 8.552 -1.007 18203 1618 1 16 . 1 1 21 21 SER N N 21 115.523 115.523 115.556 -0.033 18203 1619 1 16 . 1 1 21 21 SER HA H 21 4.865 4.865 4.420 0.445 18203 1620 1 16 . 1 1 21 21 SER CA C 21 57.689 57.689 59.234 -1.545 18203 1621 1 16 . 1 1 21 21 SER CB C 21 66.139 66.139 64.147 1.992 18203 1622 1 16 . 1 1 21 21 SER H H 21 8.156 8.156 7.279 0.877 18203 1623 1 16 . 1 1 22 22 ARG N N 22 125.719 125.719 121.063 4.656 18203 1624 1 16 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.493 -0.091 18203 1625 1 16 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.807 1.157 18203 1626 1 16 . 1 1 22 22 ARG CB C 22 29.771 29.771 30.518 -0.747 18203 1627 1 16 . 1 1 22 22 ARG H H 22 9.179 9.179 8.511 0.668 18203 1628 1 16 . 1 1 23 23 CYS N N 23 116.539 116.539 117.996 -1.457 18203 1629 1 16 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.665 -0.161 18203 1630 1 16 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.983 -2.233 18203 1631 1 16 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.826 17.260 18203 1632 1 16 . 1 1 23 23 CYS H H 23 8.354 8.354 8.656 -0.302 18203 1633 1 17 . 1 1 2 2 GLY N N 2 113.101 113.101 112.386 0.715 18203 1634 1 17 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.799 -0.399 18203 1635 1 17 . 1 1 2 2 GLY H H 2 8.729 8.729 8.665 0.064 18203 1636 1 17 . 1 1 3 3 GLU N N 3 121.656 121.656 122.334 -0.678 18203 1637 1 17 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.867 0.248 18203 1638 1 17 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.249 -0.721 18203 1639 1 17 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.204 0.378 18203 1640 1 17 . 1 1 3 3 GLU H H 3 8.866 8.866 8.199 0.667 18203 1641 1 17 . 1 1 4 4 ARG N N 4 121.188 121.188 120.643 0.545 18203 1642 1 17 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.110 0.235 18203 1643 1 17 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.421 -1.575 18203 1644 1 17 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.087 1.188 18203 1645 1 17 . 1 1 4 4 ARG H H 4 8.778 8.778 8.647 0.131 18203 1646 1 17 . 1 1 5 5 CYS N N 5 118.492 118.492 118.128 0.364 18203 1647 1 17 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.272 0.521 18203 1648 1 17 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.239 -7.237 18203 1649 1 17 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.901 13.290 18203 1650 1 17 . 1 1 5 5 CYS H H 5 8.483 8.483 8.864 -0.381 18203 1651 1 17 . 1 1 6 6 CYS N N 6 114.976 114.976 118.832 -3.856 18203 1652 1 17 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.296 0.210 18203 1653 1 17 . 1 1 6 6 CYS CA C 6 56.808 56.808 60.741 -3.933 18203 1654 1 17 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.007 16.908 18203 1655 1 17 . 1 1 6 6 CYS H H 6 8.506 8.506 8.165 0.341 18203 1656 1 17 . 1 1 7 7 LYS N N 7 120.758 120.758 117.402 3.356 18203 1657 1 17 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.169 0.144 18203 1658 1 17 . 1 1 7 7 LYS CA C 7 56.888 56.888 57.797 -0.909 18203 1659 1 17 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.290 0.401 18203 1660 1 17 . 1 1 7 7 LYS H H 7 8.003 8.003 7.813 0.190 18203 1661 1 17 . 1 1 8 8 ASN N N 8 118.023 118.023 114.482 3.541 18203 1662 1 17 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.858 -0.049 18203 1663 1 17 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.039 -0.022 18203 1664 1 17 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.283 -2.550 18203 1665 1 17 . 1 1 8 8 ASN H H 8 8.635 8.635 7.822 0.813 18203 1666 1 17 . 1 1 9 9 GLY N N 9 108.647 108.647 110.147 -1.500 18203 1667 1 17 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.856 -1.425 18203 1668 1 17 . 1 1 9 9 GLY H H 9 8.273 8.273 8.366 -0.093 18203 1669 1 17 . 1 1 10 10 LYS N N 10 121.969 121.969 125.237 -3.268 18203 1670 1 17 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.020 0.265 18203 1671 1 17 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.341 -1.034 18203 1672 1 17 . 1 1 10 10 LYS CB C 10 30.004 30.004 31.844 -1.840 18203 1673 1 17 . 1 1 10 10 LYS H H 10 8.595 8.595 8.605 -0.010 18203 1674 1 17 . 1 1 11 11 ARG N N 11 119.937 119.937 117.450 2.487 18203 1675 1 17 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.199 0.071 18203 1676 1 17 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.308 0.074 18203 1677 1 17 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.382 -0.345 18203 1678 1 17 . 1 1 11 11 ARG H H 11 8.377 8.377 7.758 0.619 18203 1679 1 17 . 1 1 12 12 GLY N N 12 107.866 107.866 105.427 2.439 18203 1680 1 17 . 1 1 12 12 GLY CA C 12 45.191 45.191 44.552 0.639 18203 1681 1 17 . 1 1 12 12 GLY H H 12 8.045 8.045 7.801 0.244 18203 1682 1 17 . 1 1 13 13 CYS N N 13 118.687 118.687 121.023 -2.336 18203 1683 1 17 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.440 0.266 18203 1684 1 17 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.199 -3.806 18203 1685 1 17 . 1 1 13 13 CYS CB C 13 43.530 43.530 24.812 18.718 18203 1686 1 17 . 1 1 13 13 CYS H H 13 8.174 8.174 7.398 0.776 18203 1687 1 17 . 1 1 14 14 GLY N N 14 111.655 111.655 113.857 -2.202 18203 1688 1 17 . 1 1 14 14 GLY CA C 14 44.357 44.357 45.264 -0.907 18203 1689 1 17 . 1 1 14 14 GLY H H 14 8.595 8.595 7.730 0.865 18203 1690 1 17 . 1 1 15 15 ARG N N 15 119.859 119.859 120.437 -0.578 18203 1691 1 17 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.063 -0.256 18203 1692 1 17 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.124 0.899 18203 1693 1 17 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.268 -0.162 18203 1694 1 17 . 1 1 15 15 ARG H H 15 8.603 8.603 8.769 -0.166 18203 1695 1 17 . 1 1 16 16 TRP N N 16 118.804 118.804 121.666 -2.862 18203 1696 1 17 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.466 -0.057 18203 1697 1 17 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.412 1.362 18203 1698 1 17 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.116 -0.485 18203 1699 1 17 . 1 1 16 16 TRP H H 16 8.771 8.771 8.192 0.579 18203 1700 1 17 . 1 1 17 17 CYS N N 17 118.922 118.922 119.409 -0.487 18203 1701 1 17 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.037 0.397 18203 1702 1 17 . 1 1 17 17 CYS CA C 17 59.097 59.097 62.109 -3.012 18203 1703 1 17 . 1 1 17 17 CYS CB C 17 38.378 38.378 26.265 12.113 18203 1704 1 17 . 1 1 17 17 CYS H H 17 9.036 9.036 8.237 0.799 18203 1705 1 17 . 1 1 18 18 ARG N N 18 122.086 122.086 121.134 0.952 18203 1706 1 17 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.943 0.002 18203 1707 1 17 . 1 1 18 18 ARG CA C 18 59.951 59.951 60.182 -0.231 18203 1708 1 17 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.023 -0.055 18203 1709 1 17 . 1 1 18 18 ARG H H 18 8.843 8.843 8.826 0.017 18203 1710 1 17 . 1 1 19 19 ASP N N 19 116.226 116.226 118.171 -1.945 18203 1711 1 17 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.621 -0.188 18203 1712 1 17 . 1 1 19 19 ASP CA C 19 55.196 55.196 56.782 -1.586 18203 1713 1 17 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.435 -0.556 18203 1714 1 17 . 1 1 19 19 ASP H H 19 7.696 7.696 8.462 -0.766 18203 1715 1 17 . 1 1 20 20 HIS N N 20 113.726 113.726 118.533 -4.807 18203 1716 1 17 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.483 0.020 18203 1717 1 17 . 1 1 20 20 HIS CA C 20 56.641 56.641 57.359 -0.718 18203 1718 1 17 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.325 -1.354 18203 1719 1 17 . 1 1 20 20 HIS H H 20 7.545 7.545 8.834 -1.289 18203 1720 1 17 . 1 1 21 21 SER N N 21 115.523 115.523 113.550 1.973 18203 1721 1 17 . 1 1 21 21 SER HA H 21 4.865 4.865 4.634 0.231 18203 1722 1 17 . 1 1 21 21 SER CA C 21 57.689 57.689 57.691 -0.002 18203 1723 1 17 . 1 1 21 21 SER CB C 21 66.139 66.139 64.539 1.600 18203 1724 1 17 . 1 1 21 21 SER H H 21 8.156 8.156 8.649 -0.493 18203 1725 1 17 . 1 1 22 22 ARG N N 22 125.719 125.719 127.025 -1.306 18203 1726 1 17 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.269 0.133 18203 1727 1 17 . 1 1 22 22 ARG CA C 22 56.964 56.964 57.218 -0.253 18203 1728 1 17 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.557 1.214 18203 1729 1 17 . 1 1 22 22 ARG H H 22 9.179 9.179 8.831 0.348 18203 1730 1 17 . 1 1 23 23 CYS N N 23 116.539 116.539 121.381 -4.842 18203 1731 1 17 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.695 -0.191 18203 1732 1 17 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.522 -1.772 18203 1733 1 17 . 1 1 23 23 CYS CB C 23 44.086 44.086 27.345 16.741 18203 1734 1 17 . 1 1 23 23 CYS H H 23 8.354 8.354 8.604 -0.250 18203 1735 1 18 . 1 1 2 2 GLY N N 2 113.101 113.101 109.491 3.610 18203 1736 1 18 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.714 -0.314 18203 1737 1 18 . 1 1 2 2 GLY H H 2 8.729 8.729 8.952 -0.223 18203 1738 1 18 . 1 1 3 3 GLU N N 3 121.656 121.656 122.144 -0.488 18203 1739 1 18 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.916 0.199 18203 1740 1 18 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.843 -0.315 18203 1741 1 18 . 1 1 3 3 GLU CB C 3 29.582 29.582 28.955 0.627 18203 1742 1 18 . 1 1 3 3 GLU H H 3 8.866 8.866 8.878 -0.012 18203 1743 1 18 . 1 1 4 4 ARG N N 4 121.188 121.188 120.005 1.183 18203 1744 1 18 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.118 0.227 18203 1745 1 18 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.509 -1.663 18203 1746 1 18 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.229 1.046 18203 1747 1 18 . 1 1 4 4 ARG H H 4 8.778 8.778 8.589 0.189 18203 1748 1 18 . 1 1 5 5 CYS N N 5 118.492 118.492 119.255 -0.763 18203 1749 1 18 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.253 0.540 18203 1750 1 18 . 1 1 5 5 CYS CA C 5 56.003 56.003 63.297 -7.294 18203 1751 1 18 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.042 13.149 18203 1752 1 18 . 1 1 5 5 CYS H H 5 8.483 8.483 8.735 -0.252 18203 1753 1 18 . 1 1 6 6 CYS N N 6 114.976 114.976 119.224 -4.248 18203 1754 1 18 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.269 0.237 18203 1755 1 18 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.002 -5.194 18203 1756 1 18 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.212 16.703 18203 1757 1 18 . 1 1 6 6 CYS H H 6 8.506 8.506 8.488 0.018 18203 1758 1 18 . 1 1 7 7 LYS N N 7 120.758 120.758 118.355 2.403 18203 1759 1 18 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.238 0.075 18203 1760 1 18 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.175 -1.287 18203 1761 1 18 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.515 0.176 18203 1762 1 18 . 1 1 7 7 LYS H H 7 8.003 8.003 7.879 0.124 18203 1763 1 18 . 1 1 8 8 ASN N N 8 118.023 118.023 116.343 1.680 18203 1764 1 18 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.664 0.145 18203 1765 1 18 . 1 1 8 8 ASN CA C 8 53.017 53.017 54.919 -1.901 18203 1766 1 18 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.496 -1.763 18203 1767 1 18 . 1 1 8 8 ASN H H 8 8.635 8.635 8.149 0.486 18203 1768 1 18 . 1 1 9 9 GLY N N 9 108.647 108.647 109.906 -1.259 18203 1769 1 18 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.883 -1.452 18203 1770 1 18 . 1 1 9 9 GLY H H 9 8.273 8.273 8.996 -0.723 18203 1771 1 18 . 1 1 10 10 LYS N N 10 121.969 121.969 125.000 -3.031 18203 1772 1 18 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.014 0.271 18203 1773 1 18 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.743 -1.436 18203 1774 1 18 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.459 -2.455 18203 1775 1 18 . 1 1 10 10 LYS H H 10 8.595 8.595 8.108 0.487 18203 1776 1 18 . 1 1 11 11 ARG N N 11 119.937 119.937 116.673 3.264 18203 1777 1 18 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.299 -0.029 18203 1778 1 18 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.824 0.558 18203 1779 1 18 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.541 -0.504 18203 1780 1 18 . 1 1 11 11 ARG H H 11 8.377 8.377 7.689 0.688 18203 1781 1 18 . 1 1 12 12 GLY N N 12 107.866 107.866 108.292 -0.426 18203 1782 1 18 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.299 -0.108 18203 1783 1 18 . 1 1 12 12 GLY H H 12 8.045 8.045 7.923 0.122 18203 1784 1 18 . 1 1 13 13 CYS N N 13 118.687 118.687 120.061 -1.374 18203 1785 1 18 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.246 0.460 18203 1786 1 18 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.514 -5.121 18203 1787 1 18 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.533 17.997 18203 1788 1 18 . 1 1 13 13 CYS H H 13 8.174 8.174 8.254 -0.080 18203 1789 1 18 . 1 1 14 14 GLY N N 14 111.655 111.655 112.391 -0.736 18203 1790 1 18 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.820 -0.463 18203 1791 1 18 . 1 1 14 14 GLY H H 14 8.595 8.595 7.827 0.768 18203 1792 1 18 . 1 1 15 15 ARG N N 15 119.859 119.859 119.608 0.251 18203 1793 1 18 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.048 -0.241 18203 1794 1 18 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.102 0.922 18203 1795 1 18 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.468 -0.362 18203 1796 1 18 . 1 1 15 15 ARG H H 15 8.603 8.603 8.734 -0.131 18203 1797 1 18 . 1 1 16 16 TRP N N 16 118.804 118.804 122.094 -3.290 18203 1798 1 18 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.554 -0.145 18203 1799 1 18 . 1 1 16 16 TRP CA C 16 62.774 62.774 60.967 1.807 18203 1800 1 18 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.331 -0.700 18203 1801 1 18 . 1 1 16 16 TRP H H 16 8.771 8.771 8.056 0.715 18203 1802 1 18 . 1 1 17 17 CYS N N 17 118.922 118.922 120.375 -1.453 18203 1803 1 18 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.141 0.293 18203 1804 1 18 . 1 1 17 17 CYS CA C 17 59.097 59.097 61.038 -1.941 18203 1805 1 18 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.652 12.726 18203 1806 1 18 . 1 1 17 17 CYS H H 17 9.036 9.036 8.778 0.258 18203 1807 1 18 . 1 1 18 18 ARG N N 18 122.086 122.086 120.148 1.938 18203 1808 1 18 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.941 0.004 18203 1809 1 18 . 1 1 18 18 ARG CA C 18 59.951 59.951 60.146 -0.195 18203 1810 1 18 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.225 -0.256 18203 1811 1 18 . 1 1 18 18 ARG H H 18 8.843 8.843 8.618 0.225 18203 1812 1 18 . 1 1 19 19 ASP N N 19 116.226 116.226 115.211 1.015 18203 1813 1 18 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.497 -0.064 18203 1814 1 18 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.527 -0.331 18203 1815 1 18 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.400 -0.521 18203 1816 1 18 . 1 1 19 19 ASP H H 19 7.696 7.696 7.869 -0.173 18203 1817 1 18 . 1 1 20 20 HIS N N 20 113.726 113.726 116.002 -2.276 18203 1818 1 18 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.540 -0.037 18203 1819 1 18 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.182 0.459 18203 1820 1 18 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.176 -1.205 18203 1821 1 18 . 1 1 20 20 HIS H H 20 7.545 7.545 8.504 -0.959 18203 1822 1 18 . 1 1 21 21 SER N N 21 115.523 115.523 113.499 2.024 18203 1823 1 18 . 1 1 21 21 SER HA H 21 4.865 4.865 4.727 0.138 18203 1824 1 18 . 1 1 21 21 SER CA C 21 57.689 57.689 57.010 0.679 18203 1825 1 18 . 1 1 21 21 SER CB C 21 66.139 66.139 65.827 0.312 18203 1826 1 18 . 1 1 21 21 SER H H 21 8.156 8.156 8.087 0.069 18203 1827 1 18 . 1 1 22 22 ARG N N 22 125.719 125.719 120.807 4.912 18203 1828 1 18 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.528 -0.126 18203 1829 1 18 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.788 1.176 18203 1830 1 18 . 1 1 22 22 ARG CB C 22 29.771 29.771 29.495 0.276 18203 1831 1 18 . 1 1 22 22 ARG H H 22 9.179 9.179 8.453 0.726 18203 1832 1 18 . 1 1 23 23 CYS N N 23 116.539 116.539 119.082 -2.543 18203 1833 1 18 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.724 -0.220 18203 1834 1 18 . 1 1 23 23 CYS CA C 23 56.750 56.750 59.233 -2.483 18203 1835 1 18 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.405 17.680 18203 1836 1 18 . 1 1 23 23 CYS H H 23 8.354 8.354 8.537 -0.183 18203 1837 1 19 . 1 1 2 2 GLY N N 2 113.101 113.101 110.492 2.609 18203 1838 1 19 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.588 -0.188 18203 1839 1 19 . 1 1 2 2 GLY H H 2 8.729 8.729 8.775 -0.046 18203 1840 1 19 . 1 1 3 3 GLU N N 3 121.656 121.656 120.662 0.994 18203 1841 1 19 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.022 0.093 18203 1842 1 19 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.119 -0.591 18203 1843 1 19 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.018 0.564 18203 1844 1 19 . 1 1 3 3 GLU H H 3 8.866 8.866 8.946 -0.080 18203 1845 1 19 . 1 1 4 4 ARG N N 4 121.188 121.188 119.979 1.209 18203 1846 1 19 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.118 0.227 18203 1847 1 19 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.673 -1.827 18203 1848 1 19 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.096 1.179 18203 1849 1 19 . 1 1 4 4 ARG H H 4 8.778 8.778 8.373 0.405 18203 1850 1 19 . 1 1 5 5 CYS N N 5 118.492 118.492 118.664 -0.172 18203 1851 1 19 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.358 0.435 18203 1852 1 19 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.464 -6.461 18203 1853 1 19 . 1 1 5 5 CYS CB C 5 39.191 39.191 25.610 13.581 18203 1854 1 19 . 1 1 5 5 CYS H H 5 8.483 8.483 8.223 0.260 18203 1855 1 19 . 1 1 6 6 CYS N N 6 114.976 114.976 119.263 -4.287 18203 1856 1 19 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.300 0.206 18203 1857 1 19 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.794 -4.986 18203 1858 1 19 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.516 16.399 18203 1859 1 19 . 1 1 6 6 CYS H H 6 8.506 8.506 7.881 0.625 18203 1860 1 19 . 1 1 7 7 LYS N N 7 120.758 120.758 118.524 2.234 18203 1861 1 19 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.057 0.256 18203 1862 1 19 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.721 -1.833 18203 1863 1 19 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.457 0.234 18203 1864 1 19 . 1 1 7 7 LYS H H 7 8.003 8.003 8.458 -0.455 18203 1865 1 19 . 1 1 8 8 ASN N N 8 118.023 118.023 114.471 3.552 18203 1866 1 19 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.825 -0.016 18203 1867 1 19 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.533 -0.516 18203 1868 1 19 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.565 -1.832 18203 1869 1 19 . 1 1 8 8 ASN H H 8 8.635 8.635 7.761 0.874 18203 1870 1 19 . 1 1 9 9 GLY N N 9 108.647 108.647 110.238 -1.591 18203 1871 1 19 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.770 -1.339 18203 1872 1 19 . 1 1 9 9 GLY H H 9 8.273 8.273 8.685 -0.412 18203 1873 1 19 . 1 1 10 10 LYS N N 10 121.969 121.969 125.163 -3.194 18203 1874 1 19 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.104 0.181 18203 1875 1 19 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.549 -1.242 18203 1876 1 19 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.399 -2.395 18203 1877 1 19 . 1 1 10 10 LYS H H 10 8.595 8.595 8.358 0.237 18203 1878 1 19 . 1 1 11 11 ARG N N 11 119.937 119.937 116.860 3.077 18203 1879 1 19 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.348 -0.078 18203 1880 1 19 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.186 0.196 18203 1881 1 19 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.613 -0.576 18203 1882 1 19 . 1 1 11 11 ARG H H 11 8.377 8.377 7.614 0.763 18203 1883 1 19 . 1 1 12 12 GLY N N 12 107.866 107.866 106.720 1.146 18203 1884 1 19 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.252 -0.060 18203 1885 1 19 . 1 1 12 12 GLY H H 12 8.045 8.045 7.653 0.392 18203 1886 1 19 . 1 1 13 13 CYS N N 13 118.687 118.687 118.347 0.340 18203 1887 1 19 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.316 0.390 18203 1888 1 19 . 1 1 13 13 CYS CA C 13 56.393 56.393 61.290 -4.897 18203 1889 1 19 . 1 1 13 13 CYS CB C 13 43.530 43.530 26.788 16.742 18203 1890 1 19 . 1 1 13 13 CYS H H 13 8.174 8.174 7.543 0.631 18203 1891 1 19 . 1 1 14 14 GLY N N 14 111.655 111.655 107.544 4.111 18203 1892 1 19 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.834 -0.477 18203 1893 1 19 . 1 1 14 14 GLY H H 14 8.595 8.595 7.752 0.843 18203 1894 1 19 . 1 1 15 15 ARG N N 15 119.859 119.859 121.367 -1.508 18203 1895 1 19 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.134 -0.327 18203 1896 1 19 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.398 0.626 18203 1897 1 19 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.158 -0.052 18203 1898 1 19 . 1 1 15 15 ARG H H 15 8.603 8.603 8.888 -0.285 18203 1899 1 19 . 1 1 16 16 TRP N N 16 118.804 118.804 119.724 -0.920 18203 1900 1 19 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.409 -0.000 18203 1901 1 19 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.047 1.727 18203 1902 1 19 . 1 1 16 16 TRP CB C 16 28.631 28.631 28.968 -0.337 18203 1903 1 19 . 1 1 16 16 TRP H H 16 8.771 8.771 7.778 0.993 18203 1904 1 19 . 1 1 17 17 CYS N N 17 118.922 118.922 120.224 -1.302 18203 1905 1 19 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.093 0.341 18203 1906 1 19 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.729 -1.632 18203 1907 1 19 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.777 12.601 18203 1908 1 19 . 1 1 17 17 CYS H H 17 9.036 9.036 8.830 0.206 18203 1909 1 19 . 1 1 18 18 ARG N N 18 122.086 122.086 119.818 2.268 18203 1910 1 19 . 1 1 18 18 ARG HA H 18 3.945 3.945 3.955 -0.010 18203 1911 1 19 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.814 0.137 18203 1912 1 19 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.002 -0.033 18203 1913 1 19 . 1 1 18 18 ARG H H 18 8.843 8.843 8.795 0.048 18203 1914 1 19 . 1 1 19 19 ASP N N 19 116.226 116.226 116.511 -0.285 18203 1915 1 19 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.566 -0.133 18203 1916 1 19 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.457 -0.261 18203 1917 1 19 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.053 -1.175 18203 1918 1 19 . 1 1 19 19 ASP H H 19 7.696 7.696 7.792 -0.096 18203 1919 1 19 . 1 1 20 20 HIS N N 20 113.726 113.726 115.927 -2.201 18203 1920 1 19 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.500 0.003 18203 1921 1 19 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.475 0.166 18203 1922 1 19 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.122 -1.151 18203 1923 1 19 . 1 1 20 20 HIS H H 20 7.545 7.545 8.608 -1.063 18203 1924 1 19 . 1 1 21 21 SER N N 21 115.523 115.523 114.263 1.260 18203 1925 1 19 . 1 1 21 21 SER HA H 21 4.865 4.865 4.677 0.188 18203 1926 1 19 . 1 1 21 21 SER CA C 21 57.689 57.689 57.204 0.485 18203 1927 1 19 . 1 1 21 21 SER CB C 21 66.139 66.139 65.012 1.127 18203 1928 1 19 . 1 1 21 21 SER H H 21 8.156 8.156 8.175 -0.019 18203 1929 1 19 . 1 1 22 22 ARG N N 22 125.719 125.719 123.334 2.385 18203 1930 1 19 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.457 -0.055 18203 1931 1 19 . 1 1 22 22 ARG CA C 22 56.964 56.964 55.174 1.790 18203 1932 1 19 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.429 1.342 18203 1933 1 19 . 1 1 22 22 ARG H H 22 9.179 9.179 8.509 0.670 18203 1934 1 19 . 1 1 23 23 CYS N N 23 116.539 116.539 119.017 -2.478 18203 1935 1 19 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.689 -0.185 18203 1936 1 19 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.789 -2.039 18203 1937 1 19 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.340 17.746 18203 1938 1 19 . 1 1 23 23 CYS H H 23 8.354 8.354 8.512 -0.158 18203 1939 1 20 . 1 1 2 2 GLY N N 2 113.101 113.101 112.530 0.571 18203 1940 1 20 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.814 -0.414 18203 1941 1 20 . 1 1 2 2 GLY H H 2 8.729 8.729 8.232 0.497 18203 1942 1 20 . 1 1 3 3 GLU N N 3 121.656 121.656 121.124 0.532 18203 1943 1 20 . 1 1 3 3 GLU HA H 3 4.115 4.115 4.146 -0.031 18203 1944 1 20 . 1 1 3 3 GLU CA C 3 58.528 58.528 59.015 -0.487 18203 1945 1 20 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.406 0.176 18203 1946 1 20 . 1 1 3 3 GLU H H 3 8.866 8.866 8.747 0.119 18203 1947 1 20 . 1 1 4 4 ARG N N 4 121.188 121.188 117.727 3.461 18203 1948 1 20 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.258 0.087 18203 1949 1 20 . 1 1 4 4 ARG CA C 4 56.846 56.846 57.497 -0.651 18203 1950 1 20 . 1 1 4 4 ARG CB C 4 30.275 30.275 29.088 1.187 18203 1951 1 20 . 1 1 4 4 ARG H H 4 8.778 8.778 8.291 0.487 18203 1952 1 20 . 1 1 5 5 CYS N N 5 118.492 118.492 118.470 0.022 18203 1953 1 20 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.464 0.329 18203 1954 1 20 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.173 -6.170 18203 1955 1 20 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.801 12.390 18203 1956 1 20 . 1 1 5 5 CYS H H 5 8.483 8.483 7.587 0.896 18203 1957 1 20 . 1 1 6 6 CYS N N 6 114.976 114.976 120.074 -5.098 18203 1958 1 20 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.247 0.259 18203 1959 1 20 . 1 1 6 6 CYS CA C 6 56.808 56.808 62.393 -5.585 18203 1960 1 20 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.343 16.572 18203 1961 1 20 . 1 1 6 6 CYS H H 6 8.506 8.506 8.525 -0.019 18203 1962 1 20 . 1 1 7 7 LYS N N 7 120.758 120.758 117.364 3.394 18203 1963 1 20 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.150 0.163 18203 1964 1 20 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.203 -1.315 18203 1965 1 20 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.298 0.393 18203 1966 1 20 . 1 1 7 7 LYS H H 7 8.003 8.003 7.794 0.209 18203 1967 1 20 . 1 1 8 8 ASN N N 8 118.023 118.023 114.796 3.227 18203 1968 1 20 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.830 -0.021 18203 1969 1 20 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.281 -0.264 18203 1970 1 20 . 1 1 8 8 ASN CB C 8 38.733 38.733 40.951 -2.218 18203 1971 1 20 . 1 1 8 8 ASN H H 8 8.635 8.635 7.750 0.885 18203 1972 1 20 . 1 1 9 9 GLY N N 9 108.647 108.647 110.610 -1.963 18203 1973 1 20 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.690 -1.259 18203 1974 1 20 . 1 1 9 9 GLY H H 9 8.273 8.273 8.915 -0.642 18203 1975 1 20 . 1 1 10 10 LYS N N 10 121.969 121.969 124.486 -2.517 18203 1976 1 20 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.055 0.230 18203 1977 1 20 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.530 -1.223 18203 1978 1 20 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.282 -2.278 18203 1979 1 20 . 1 1 10 10 LYS H H 10 8.595 8.595 8.285 0.310 18203 1980 1 20 . 1 1 11 11 ARG N N 11 119.937 119.937 116.316 3.621 18203 1981 1 20 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.388 -0.118 18203 1982 1 20 . 1 1 11 11 ARG CA C 11 57.382 57.382 56.943 0.439 18203 1983 1 20 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.467 -0.430 18203 1984 1 20 . 1 1 11 11 ARG H H 11 8.377 8.377 7.748 0.629 18203 1985 1 20 . 1 1 12 12 GLY N N 12 107.866 107.866 107.689 0.177 18203 1986 1 20 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.363 -0.172 18203 1987 1 20 . 1 1 12 12 GLY H H 12 8.045 8.045 7.789 0.256 18203 1988 1 20 . 1 1 13 13 CYS N N 13 118.687 118.687 121.019 -2.332 18203 1989 1 20 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.110 0.596 18203 1990 1 20 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.735 -4.342 18203 1991 1 20 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.381 18.149 18203 1992 1 20 . 1 1 13 13 CYS H H 13 8.174 8.174 8.061 0.113 18203 1993 1 20 . 1 1 14 14 GLY N N 14 111.655 111.655 112.854 -1.199 18203 1994 1 20 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.834 -0.477 18203 1995 1 20 . 1 1 14 14 GLY H H 14 8.595 8.595 7.612 0.983 18203 1996 1 20 . 1 1 15 15 ARG N N 15 119.859 119.859 121.325 -1.466 18203 1997 1 20 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.013 -0.206 18203 1998 1 20 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.254 0.770 18203 1999 1 20 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.236 -0.130 18203 2000 1 20 . 1 1 15 15 ARG H H 15 8.603 8.603 8.775 -0.172 18203 2001 1 20 . 1 1 16 16 TRP N N 16 118.804 118.804 122.144 -3.340 18203 2002 1 20 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.496 -0.087 18203 2003 1 20 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.448 1.326 18203 2004 1 20 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.201 -0.570 18203 2005 1 20 . 1 1 16 16 TRP H H 16 8.771 8.771 8.070 0.701 18203 2006 1 20 . 1 1 17 17 CYS N N 17 118.922 118.922 119.869 -0.947 18203 2007 1 20 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.086 0.348 18203 2008 1 20 . 1 1 17 17 CYS CA C 17 59.097 59.097 60.574 -1.477 18203 2009 1 20 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.722 12.656 18203 2010 1 20 . 1 1 17 17 CYS H H 17 9.036 9.036 8.871 0.165 18203 2011 1 20 . 1 1 18 18 ARG N N 18 122.086 122.086 120.481 1.605 18203 2012 1 20 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.269 -0.324 18203 2013 1 20 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.552 0.399 18203 2014 1 20 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.004 -0.035 18203 2015 1 20 . 1 1 18 18 ARG H H 18 8.843 8.843 8.850 -0.007 18203 2016 1 20 . 1 1 19 19 ASP N N 19 116.226 116.226 115.912 0.314 18203 2017 1 20 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.580 -0.147 18203 2018 1 20 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.581 -0.385 18203 2019 1 20 . 1 1 19 19 ASP CB C 19 40.879 40.879 42.136 -1.257 18203 2020 1 20 . 1 1 19 19 ASP H H 19 7.696 7.696 8.045 -0.349 18203 2021 1 20 . 1 1 20 20 HIS N N 20 113.726 113.726 116.757 -3.031 18203 2022 1 20 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.451 0.052 18203 2023 1 20 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.507 0.134 18203 2024 1 20 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.225 -1.254 18203 2025 1 20 . 1 1 20 20 HIS H H 20 7.545 7.545 8.522 -0.977 18203 2026 1 20 . 1 1 21 21 SER N N 21 115.523 115.523 115.368 0.155 18203 2027 1 20 . 1 1 21 21 SER HA H 21 4.865 4.865 4.559 0.306 18203 2028 1 20 . 1 1 21 21 SER CA C 21 57.689 57.689 57.283 0.406 18203 2029 1 20 . 1 1 21 21 SER CB C 21 66.139 66.139 64.409 1.730 18203 2030 1 20 . 1 1 21 21 SER H H 21 8.156 8.156 8.451 -0.295 18203 2031 1 20 . 1 1 22 22 ARG N N 22 125.719 125.719 126.958 -1.239 18203 2032 1 20 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.292 0.110 18203 2033 1 20 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.330 0.634 18203 2034 1 20 . 1 1 22 22 ARG CB C 22 29.771 29.771 27.684 2.087 18203 2035 1 20 . 1 1 22 22 ARG H H 22 9.179 9.179 8.890 0.289 18203 2036 1 20 . 1 1 23 23 CYS N N 23 116.539 116.539 119.564 -3.025 18203 2037 1 20 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.657 -0.153 18203 2038 1 20 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.696 -1.946 18203 2039 1 20 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.852 17.234 18203 2040 1 20 . 1 1 23 23 CYS H H 23 8.354 8.354 8.623 -0.269 18203 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 22 2.470 -0.187 2.521 18203 2 1 1 "Average Difference" HA 26 0.244 -0.096 0.228 18203 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18203 4 1 1 "Average Difference" CA 22 2.253 1.074 2.027 18203 5 1 1 "Average Difference" CB 18 8.147 -3.972 7.320 18203 6 1 1 "Average Difference" HN 22 0.430 -0.105 0.427 18203 7 1 2 "Average Difference" N 22 2.366 -0.297 2.402 18203 8 1 2 "Average Difference" HA 26 0.287 -0.100 0.274 18203 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18203 10 1 2 "Average Difference" CA 22 2.208 1.027 2.001 18203 11 1 2 "Average Difference" CB 18 7.875 -4.007 6.976 18203 12 1 2 "Average Difference" HN 22 0.472 -0.155 0.457 18203 13 1 3 "Average Difference" N 22 2.416 -0.198 2.464 18203 14 1 3 "Average Difference" HA 26 0.298 -0.037 0.301 18203 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18203 16 1 3 "Average Difference" CA 22 2.215 0.929 2.058 18203 17 1 3 "Average Difference" CB 18 8.355 -3.993 7.552 18203 18 1 3 "Average Difference" HN 22 0.443 -0.104 0.441 18203 19 1 4 "Average Difference" N 22 2.142 -0.181 2.184 18203 20 1 4 "Average Difference" HA 26 0.314 -0.089 0.307 18203 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18203 22 1 4 "Average Difference" CA 22 2.413 1.158 2.167 18203 23 1 4 "Average Difference" CB 18 8.326 -4.182 7.408 18203 24 1 4 "Average Difference" HN 22 0.513 -0.109 0.513 18203 25 1 5 "Average Difference" N 22 2.758 -0.266 2.809 18203 26 1 5 "Average Difference" HA 26 0.271 -0.121 0.247 18203 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18203 28 1 5 "Average Difference" CA 22 2.491 1.167 2.252 18203 29 1 5 "Average Difference" CB 18 8.308 -4.094 7.439 18203 30 1 5 "Average Difference" HN 22 0.525 -0.089 0.530 18203 31 1 6 "Average Difference" N 22 2.143 0.273 2.176 18203 32 1 6 "Average Difference" HA 26 0.294 -0.078 0.290 18203 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18203 34 1 6 "Average Difference" CA 22 2.330 1.251 2.012 18203 35 1 6 "Average Difference" CB 18 8.264 -4.202 7.322 18203 36 1 6 "Average Difference" HN 22 0.461 -0.096 0.462 18203 37 1 7 "Average Difference" N 22 2.037 0.011 2.085 18203 38 1 7 "Average Difference" HA 26 0.269 -0.074 0.264 18203 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18203 40 1 7 "Average Difference" CA 22 2.299 1.094 2.069 18203 41 1 7 "Average Difference" CB 18 8.261 -4.045 7.412 18203 42 1 7 "Average Difference" HN 22 0.491 -0.096 0.493 18203 43 1 8 "Average Difference" N 22 2.351 -0.131 2.402 18203 44 1 8 "Average Difference" HA 26 0.302 -0.035 0.306 18203 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18203 46 1 8 "Average Difference" CA 22 2.294 1.048 2.088 18203 47 1 8 "Average Difference" CB 18 8.374 -4.030 7.554 18203 48 1 8 "Average Difference" HN 22 0.521 -0.135 0.515 18203 49 1 9 "Average Difference" N 22 2.510 -0.229 2.558 18203 50 1 9 "Average Difference" HA 26 0.269 -0.121 0.245 18203 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18203 52 1 9 "Average Difference" CA 22 2.391 1.154 2.143 18203 53 1 9 "Average Difference" CB 18 8.380 -4.015 7.569 18203 54 1 9 "Average Difference" HN 22 0.556 -0.144 0.549 18203 55 1 10 "Average Difference" N 22 2.669 0.199 2.724 18203 56 1 10 "Average Difference" HA 26 0.251 -0.042 0.252 18203 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18203 58 1 10 "Average Difference" CA 22 2.141 1.039 1.915 18203 59 1 10 "Average Difference" CB 18 8.258 -4.185 7.325 18203 60 1 10 "Average Difference" HN 22 0.527 -0.089 0.532 18203 61 1 11 "Average Difference" N 22 2.479 0.139 2.533 18203 62 1 11 "Average Difference" HA 26 0.269 -0.089 0.259 18203 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18203 64 1 11 "Average Difference" CA 22 2.286 1.165 2.014 18203 65 1 11 "Average Difference" CB 18 8.287 -4.117 7.401 18203 66 1 11 "Average Difference" HN 22 0.442 -0.142 0.429 18203 67 1 12 "Average Difference" N 22 2.164 0.006 2.214 18203 68 1 12 "Average Difference" HA 26 0.257 -0.113 0.235 18203 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18203 70 1 12 "Average Difference" CA 22 2.400 1.192 2.132 18203 71 1 12 "Average Difference" CB 18 8.379 -3.958 7.600 18203 72 1 12 "Average Difference" HN 22 0.481 -0.142 0.471 18203 73 1 13 "Average Difference" N 22 2.146 0.441 2.150 18203 74 1 13 "Average Difference" HA 26 0.300 -0.122 0.280 18203 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18203 76 1 13 "Average Difference" CA 22 2.250 1.202 1.947 18203 77 1 13 "Average Difference" CB 18 8.225 -4.199 7.278 18203 78 1 13 "Average Difference" HN 22 0.498 -0.063 0.506 18203 79 1 14 "Average Difference" N 22 2.650 -0.336 2.690 18203 80 1 14 "Average Difference" HA 26 0.239 -0.093 0.224 18203 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18203 82 1 14 "Average Difference" CA 22 2.443 1.181 2.189 18203 83 1 14 "Average Difference" CB 18 8.490 -4.053 7.677 18203 84 1 14 "Average Difference" HN 22 0.466 -0.084 0.469 18203 85 1 15 "Average Difference" N 22 2.336 -0.226 2.379 18203 86 1 15 "Average Difference" HA 26 0.304 -0.136 0.277 18203 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18203 88 1 15 "Average Difference" CA 22 2.584 1.322 2.272 18203 89 1 15 "Average Difference" CB 18 8.502 -4.068 7.682 18203 90 1 15 "Average Difference" HN 22 0.506 -0.091 0.509 18203 91 1 16 "Average Difference" N 22 2.500 0.088 2.557 18203 92 1 16 "Average Difference" HA 26 0.274 -0.113 0.254 18203 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18203 94 1 16 "Average Difference" CA 22 2.273 1.122 2.023 18203 95 1 16 "Average Difference" CB 18 8.391 -4.085 7.542 18203 96 1 16 "Average Difference" HN 22 0.507 -0.195 0.479 18203 97 1 17 "Average Difference" N 22 2.532 0.650 2.505 18203 98 1 17 "Average Difference" HA 26 0.283 -0.090 0.273 18203 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18203 100 1 17 "Average Difference" CA 22 2.222 1.208 1.910 18203 101 1 17 "Average Difference" CB 18 8.360 -4.178 7.451 18203 102 1 17 "Average Difference" HN 22 0.560 -0.137 0.556 18203 103 1 18 "Average Difference" N 22 2.370 -0.018 2.426 18203 104 1 18 "Average Difference" HA 26 0.272 -0.099 0.258 18203 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18203 106 1 18 "Average Difference" CA 22 2.483 1.177 2.237 18203 107 1 18 "Average Difference" CB 18 8.379 -4.051 7.547 18203 108 1 18 "Average Difference" HN 22 0.447 -0.097 0.447 18203 109 1 19 "Average Difference" N 22 2.277 -0.329 2.306 18203 110 1 19 "Average Difference" HA 26 0.259 -0.117 0.236 18203 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18203 112 1 19 "Average Difference" CA 22 2.289 1.056 2.079 18203 113 1 19 "Average Difference" CB 18 8.248 -4.109 7.359 18203 114 1 19 "Average Difference" HN 22 0.539 -0.197 0.514 18203 115 1 20 "Average Difference" N 22 2.407 0.413 2.427 18203 116 1 20 "Average Difference" HA 26 0.277 -0.062 0.276 18203 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18203 118 1 20 "Average Difference" CA 22 2.169 1.003 1.968 18203 119 1 20 "Average Difference" CB 18 8.291 -4.133 7.396 18203 120 1 20 "Average Difference" HN 22 0.520 -0.173 0.502 18203 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.Model_type average _Entity_delta_chem_shifts.Entry_ID 18203 _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.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_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.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 GLY N N 2 113.101 113.101 110.985 2.116 18203 2 1 . 1 1 2 2 GLY CA C 2 45.400 45.400 45.808 -0.408 18203 3 1 . 1 1 2 2 GLY H H 2 8.729 8.729 8.554 0.175 18203 4 1 . 1 1 3 3 GLU N N 3 121.656 121.656 121.507 0.149 18203 5 1 . 1 1 3 3 GLU HA H 3 4.115 4.115 3.986 0.129 18203 6 1 . 1 1 3 3 GLU CA C 3 58.528 58.528 58.997 -0.469 18203 7 1 . 1 1 3 3 GLU CB C 3 29.582 29.582 29.041 0.541 18203 8 1 . 1 1 3 3 GLU H H 3 8.866 8.866 8.826 0.040 18203 9 1 . 1 1 4 4 ARG N N 4 121.188 121.188 119.776 1.412 18203 10 1 . 1 1 4 4 ARG HA H 4 4.345 4.345 4.114 0.231 18203 11 1 . 1 1 4 4 ARG CA C 4 56.846 56.846 58.209 -1.363 18203 12 1 . 1 1 4 4 ARG CB C 4 30.275 30.275 28.976 1.299 18203 13 1 . 1 1 4 4 ARG H H 4 8.778 8.778 8.553 0.225 18203 14 1 . 1 1 5 5 CYS N N 5 118.492 118.492 118.699 -0.207 18203 15 1 . 1 1 5 5 CYS HA H 5 4.793 4.793 4.314 0.479 18203 16 1 . 1 1 5 5 CYS CA C 5 56.003 56.003 62.998 -6.995 18203 17 1 . 1 1 5 5 CYS CB C 5 39.191 39.191 26.129 13.062 18203 18 1 . 1 1 5 5 CYS H H 5 8.483 8.483 8.578 -0.095 18203 19 1 . 1 1 6 6 CYS N N 6 114.976 114.976 119.040 -4.064 18203 20 1 . 1 1 6 6 CYS HA H 6 4.506 4.506 4.268 0.238 18203 21 1 . 1 1 6 6 CYS CA C 6 56.808 56.808 61.564 -4.756 18203 22 1 . 1 1 6 6 CYS CB C 6 42.915 42.915 26.158 16.757 18203 23 1 . 1 1 6 6 CYS H H 6 8.506 8.506 8.395 0.111 18203 24 1 . 1 1 7 7 LYS N N 7 120.758 120.758 118.050 2.708 18203 25 1 . 1 1 7 7 LYS HA H 7 4.313 4.313 4.113 0.200 18203 26 1 . 1 1 7 7 LYS CA C 7 56.888 56.888 58.480 -1.592 18203 27 1 . 1 1 7 7 LYS CB C 7 32.691 32.691 32.355 0.336 18203 28 1 . 1 1 7 7 LYS H H 7 8.003 8.003 8.061 -0.058 18203 29 1 . 1 1 8 8 ASN N N 8 118.023 118.023 114.736 3.287 18203 30 1 . 1 1 8 8 ASN HA H 8 4.809 4.809 4.857 -0.048 18203 31 1 . 1 1 8 8 ASN CA C 8 53.017 53.017 53.344 -0.327 18203 32 1 . 1 1 8 8 ASN CB C 8 38.733 38.733 41.007 -2.274 18203 33 1 . 1 1 8 8 ASN H H 8 8.635 8.635 7.804 0.831 18203 34 1 . 1 1 9 9 GLY N N 9 108.647 108.647 110.393 -1.746 18203 35 1 . 1 1 9 9 GLY CA C 9 45.431 45.431 46.824 -1.393 18203 36 1 . 1 1 9 9 GLY H H 9 8.273 8.273 8.690 -0.417 18203 37 1 . 1 1 10 10 LYS N N 10 121.969 121.969 124.499 -2.531 18203 38 1 . 1 1 10 10 LYS HA H 10 4.285 4.285 4.040 0.245 18203 39 1 . 1 1 10 10 LYS CA C 10 57.307 57.307 58.436 -1.129 18203 40 1 . 1 1 10 10 LYS CB C 10 30.004 30.004 32.115 -2.111 18203 41 1 . 1 1 10 10 LYS H H 10 8.595 8.595 8.392 0.203 18203 42 1 . 1 1 11 11 ARG N N 11 119.937 119.937 116.587 3.350 18203 43 1 . 1 1 11 11 ARG HA H 11 4.270 4.270 4.299 -0.029 18203 44 1 . 1 1 11 11 ARG CA C 11 57.382 57.382 57.387 -0.005 18203 45 1 . 1 1 11 11 ARG CB C 11 30.037 30.037 30.504 -0.467 18203 46 1 . 1 1 11 11 ARG H H 11 8.377 8.377 7.928 0.449 18203 47 1 . 1 1 12 12 GLY N N 12 107.866 107.866 106.906 0.960 18203 48 1 . 1 1 12 12 GLY CA C 12 45.191 45.191 45.137 0.055 18203 49 1 . 1 1 12 12 GLY H H 12 8.045 8.045 7.766 0.279 18203 50 1 . 1 1 13 13 CYS N N 13 118.687 118.687 120.046 -1.359 18203 51 1 . 1 1 13 13 CYS HA H 13 4.706 4.706 4.284 0.421 18203 52 1 . 1 1 13 13 CYS CA C 13 56.393 56.393 60.875 -4.482 18203 53 1 . 1 1 13 13 CYS CB C 13 43.530 43.530 25.746 17.784 18203 54 1 . 1 1 13 13 CYS H H 13 8.174 8.174 7.775 0.399 18203 55 1 . 1 1 14 14 GLY N N 14 111.655 111.655 111.744 -0.089 18203 56 1 . 1 1 14 14 GLY CA C 14 44.357 44.357 44.801 -0.444 18203 57 1 . 1 1 14 14 GLY H H 14 8.595 8.595 7.794 0.801 18203 58 1 . 1 1 15 15 ARG N N 15 119.859 119.859 120.317 -0.458 18203 59 1 . 1 1 15 15 ARG HA H 15 3.807 3.807 4.081 -0.274 18203 60 1 . 1 1 15 15 ARG CA C 15 60.024 60.024 59.476 0.548 18203 61 1 . 1 1 15 15 ARG CB C 15 30.106 30.106 30.252 -0.146 18203 62 1 . 1 1 15 15 ARG H H 15 8.603 8.603 8.825 -0.222 18203 63 1 . 1 1 16 16 TRP N N 16 118.804 118.804 121.097 -2.293 18203 64 1 . 1 1 16 16 TRP HA H 16 4.409 4.409 4.445 -0.036 18203 65 1 . 1 1 16 16 TRP CA C 16 62.774 62.774 61.051 1.723 18203 66 1 . 1 1 16 16 TRP CB C 16 28.631 28.631 29.073 -0.442 18203 67 1 . 1 1 16 16 TRP H H 16 8.771 8.771 7.938 0.833 18203 68 1 . 1 1 17 17 CYS N N 17 118.922 118.922 119.675 -0.753 18203 69 1 . 1 1 17 17 CYS HA H 17 4.434 4.434 4.104 0.330 18203 70 1 . 1 1 17 17 CYS CA C 17 59.097 59.097 61.424 -2.327 18203 71 1 . 1 1 17 17 CYS CB C 17 38.378 38.378 25.865 12.513 18203 72 1 . 1 1 17 17 CYS H H 17 9.036 9.036 8.778 0.258 18203 73 1 . 1 1 18 18 ARG N N 18 122.086 122.086 120.444 1.642 18203 74 1 . 1 1 18 18 ARG HA H 18 3.945 3.945 4.003 -0.058 18203 75 1 . 1 1 18 18 ARG CA C 18 59.951 59.951 59.795 0.156 18203 76 1 . 1 1 18 18 ARG CB C 18 29.969 29.969 30.116 -0.147 18203 77 1 . 1 1 18 18 ARG H H 18 8.843 8.843 8.735 0.108 18203 78 1 . 1 1 19 19 ASP N N 19 116.226 116.226 116.059 0.167 18203 79 1 . 1 1 19 19 ASP HA H 19 4.433 4.433 4.568 -0.135 18203 80 1 . 1 1 19 19 ASP CA C 19 55.196 55.196 55.880 -0.684 18203 81 1 . 1 1 19 19 ASP CB C 19 40.879 40.879 41.779 -0.900 18203 82 1 . 1 1 19 19 ASP H H 19 7.696 7.696 8.120 -0.424 18203 83 1 . 1 1 20 20 HIS N N 20 113.726 113.726 116.638 -2.912 18203 84 1 . 1 1 20 20 HIS HA H 20 4.503 4.503 4.502 0.001 18203 85 1 . 1 1 20 20 HIS CA C 20 56.641 56.641 56.407 0.234 18203 86 1 . 1 1 20 20 HIS CB C 20 28.971 28.971 30.446 -1.475 18203 87 1 . 1 1 20 20 HIS H H 20 7.545 7.545 8.583 -1.039 18203 88 1 . 1 1 21 21 SER N N 21 115.523 115.523 114.015 1.508 18203 89 1 . 1 1 21 21 SER HA H 21 4.865 4.865 4.673 0.192 18203 90 1 . 1 1 21 21 SER CA C 21 57.689 57.689 57.366 0.323 18203 91 1 . 1 1 21 21 SER CB C 21 66.139 66.139 64.988 1.151 18203 92 1 . 1 1 21 21 SER H H 21 8.156 8.156 8.320 -0.164 18203 93 1 . 1 1 22 22 ARG N N 22 125.719 125.719 123.657 2.062 18203 94 1 . 1 1 22 22 ARG HA H 22 4.402 4.402 4.437 -0.035 18203 95 1 . 1 1 22 22 ARG CA C 22 56.964 56.964 56.257 0.708 18203 96 1 . 1 1 22 22 ARG CB C 22 29.771 29.771 28.946 0.825 18203 97 1 . 1 1 22 22 ARG H H 22 9.179 9.179 8.644 0.535 18203 98 1 . 1 1 23 23 CYS N N 23 116.539 116.539 119.291 -2.752 18203 99 1 . 1 1 23 23 CYS HA H 23 4.504 4.504 4.654 -0.150 18203 100 1 . 1 1 23 23 CYS CA C 23 56.750 56.750 58.948 -2.198 18203 101 1 . 1 1 23 23 CYS CB C 23 44.086 44.086 26.883 17.203 18203 102 1 . 1 1 23 23 CYS H H 23 8.354 8.354 8.493 -0.139 18203 stop_ save_