data_25477 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25477 _Entry.PDB_ID 2MZ9 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 25477 _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 ASP N N 2 124.367 124.367 118.074 6.293 25477 2 1 1 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.343 2.904 25477 3 1 1 . 1 1 2 2 ASP H H 2 10.343 10.343 8.676 1.667 25477 4 1 1 . 1 1 3 3 ASP N N 3 120.501 120.501 120.908 -0.407 25477 5 1 1 . 1 1 3 3 ASP HA H 3 7.279 7.279 5.118 2.161 25477 6 1 1 . 1 1 3 3 ASP H H 3 9.546 9.546 7.827 1.719 25477 7 1 1 . 1 1 4 4 ILE N N 4 123.994 123.994 125.619 -1.625 25477 8 1 1 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.310 0.789 25477 9 1 1 . 1 1 4 4 ILE H H 4 10.258 10.258 9.210 1.048 25477 10 1 1 . 1 1 5 5 VAL N N 5 129.474 129.474 128.506 0.968 25477 11 1 1 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.515 0.417 25477 12 1 1 . 1 1 5 5 VAL H H 5 9.384 9.384 8.743 0.641 25477 13 1 1 . 1 1 6 6 LEU N N 6 132.431 132.431 130.654 1.777 25477 14 1 1 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.608 -0.066 25477 15 1 1 . 1 1 6 6 LEU H H 6 9.655 9.655 8.101 1.554 25477 16 1 1 . 1 1 7 7 LYS N N 7 124.598 124.598 123.412 1.186 25477 17 1 1 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.080 0.867 25477 18 1 1 . 1 1 7 7 LYS H H 7 8.556 8.556 7.661 0.895 25477 19 1 1 . 1 1 8 8 ALA N N 8 124.683 124.683 126.493 -1.810 25477 20 1 1 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.658 0.124 25477 21 1 1 . 1 1 8 8 ALA H H 8 10.136 10.136 8.033 2.103 25477 22 1 1 . 1 1 9 9 LYS N N 9 125.212 125.212 121.321 3.891 25477 23 1 1 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.235 0.102 25477 24 1 1 . 1 1 9 9 LYS H H 9 10.009 10.009 8.634 1.375 25477 25 1 1 . 1 1 10 10 ASN N N 10 114.864 114.864 116.942 -2.078 25477 26 1 1 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.878 0.229 25477 27 1 1 . 1 1 10 10 ASN H H 10 9.692 9.692 7.830 1.862 25477 28 1 1 . 1 1 11 11 GLY N N 11 113.592 113.592 110.452 3.140 25477 29 1 1 . 1 1 11 11 GLY H H 11 9.484 9.484 8.008 1.476 25477 30 1 1 . 1 1 12 12 ASP N N 12 133.500 133.500 121.008 12.492 25477 31 1 1 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.688 2.298 25477 32 1 1 . 1 1 12 12 ASP H H 12 10.354 10.354 8.311 2.043 25477 33 1 1 . 1 1 13 13 VAL N N 13 122.888 122.888 117.522 5.366 25477 34 1 1 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.712 2.052 25477 35 1 1 . 1 1 13 13 VAL H H 13 10.729 10.729 8.244 2.485 25477 36 1 1 . 1 1 14 14 LYS N N 14 130.045 130.045 128.137 1.908 25477 37 1 1 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.512 0.562 25477 38 1 1 . 1 1 14 14 LYS H H 14 9.987 9.987 8.524 1.463 25477 39 1 1 . 1 1 15 15 PHE N N 15 126.228 126.228 128.168 -1.940 25477 40 1 1 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.887 0.928 25477 41 1 1 . 1 1 15 15 PHE H H 15 9.869 9.869 8.128 1.741 25477 42 1 1 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.912 2.473 25477 43 1 1 . 1 1 17 17 HIS N N 17 138.291 138.291 127.463 10.828 25477 44 1 1 . 1 1 17 17 HIS HA H 17 8.377 8.377 4.040 4.337 25477 45 1 1 . 1 1 17 17 HIS H H 17 11.607 11.607 8.649 2.958 25477 46 1 1 . 1 1 18 18 LYS N N 18 126.220 126.220 120.035 6.185 25477 47 1 1 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.076 3.371 25477 48 1 1 . 1 1 18 18 LYS H H 18 12.968 12.968 8.108 4.860 25477 49 1 1 . 1 1 19 19 ALA N N 19 124.418 124.418 120.651 3.767 25477 50 1 1 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.168 1.410 25477 51 1 1 . 1 1 19 19 ALA H H 19 10.987 10.987 8.078 2.909 25477 52 1 1 . 1 1 20 20 HIS N N 20 118.446 118.446 116.125 2.321 25477 53 1 1 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.368 3.556 25477 54 1 1 . 1 1 20 20 HIS H H 20 12.109 12.109 7.306 4.803 25477 55 1 1 . 1 1 21 21 GLN N N 21 121.637 121.637 116.479 5.158 25477 56 1 1 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.056 -0.300 25477 57 1 1 . 1 1 21 21 GLN H H 21 9.883 9.883 8.022 1.861 25477 58 1 1 . 1 1 22 22 LYS N N 22 117.108 117.108 117.764 -0.656 25477 59 1 1 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.425 0.023 25477 60 1 1 . 1 1 22 22 LYS H H 22 8.086 8.086 7.303 0.783 25477 61 1 1 . 1 1 23 23 ALA N N 23 119.728 119.728 119.880 -0.152 25477 62 1 1 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.137 0.239 25477 63 1 1 . 1 1 23 23 ALA H H 23 8.047 8.047 8.287 -0.240 25477 64 1 1 . 1 1 24 24 VAL N N 24 118.949 118.949 114.926 4.023 25477 65 1 1 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.356 -0.532 25477 66 1 1 . 1 1 24 24 VAL H H 24 8.394 8.394 7.620 0.774 25477 67 1 1 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.170 0.053 25477 68 1 1 . 1 1 26 26 ASP N N 26 118.341 118.341 115.951 2.390 25477 69 1 1 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.633 -0.234 25477 70 1 1 . 1 1 26 26 ASP H H 26 7.169 7.169 8.354 -1.185 25477 71 1 1 . 1 1 27 27 CYS N N 27 124.578 124.578 118.089 6.489 25477 72 1 1 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.148 -2.102 25477 73 1 1 . 1 1 27 27 CYS H H 27 7.468 7.468 8.186 -0.718 25477 74 1 1 . 1 1 28 28 LYS N N 28 115.097 115.097 117.680 -2.583 25477 75 1 1 . 1 1 28 28 LYS HA H 28 5.514 5.514 3.815 1.699 25477 76 1 1 . 1 1 28 28 LYS H H 28 8.329 8.329 8.707 -0.378 25477 77 1 1 . 1 1 29 29 LYS N N 29 118.552 118.552 119.207 -0.655 25477 78 1 1 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.346 -0.559 25477 79 1 1 . 1 1 29 29 LYS H H 29 7.449 7.449 8.354 -0.905 25477 80 1 1 . 1 1 30 30 CYS N N 30 111.091 111.091 115.631 -4.540 25477 81 1 1 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.517 -0.118 25477 82 1 1 . 1 1 30 30 CYS H H 30 6.636 6.636 8.433 -1.797 25477 83 1 1 . 1 1 31 31 HIS N N 31 122.497 122.497 118.967 3.530 25477 84 1 1 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.443 5.788 25477 85 1 1 . 1 1 31 31 HIS H H 31 11.948 11.948 8.367 3.581 25477 86 1 1 . 1 1 32 32 GLU N N 32 128.508 128.508 117.638 10.870 25477 87 1 1 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.295 0.852 25477 88 1 1 . 1 1 32 32 GLU H H 32 10.401 10.401 8.040 2.361 25477 89 1 1 . 1 1 33 33 LYS N N 33 117.199 117.199 118.805 -1.606 25477 90 1 1 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.178 1.127 25477 91 1 1 . 1 1 33 33 LYS H H 33 10.277 10.277 8.318 1.959 25477 92 1 1 . 1 1 34 34 GLY N N 34 109.000 109.000 110.274 -1.274 25477 93 1 1 . 1 1 34 34 GLY H H 34 8.997 8.997 8.036 0.961 25477 94 1 1 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.948 2.289 25477 95 1 1 . 1 1 37 37 LYS N N 37 118.406 118.406 120.761 -2.355 25477 96 1 1 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.246 -1.440 25477 97 1 1 . 1 1 37 37 LYS H H 37 7.501 7.501 8.244 -0.743 25477 98 1 1 . 1 1 38 38 ILE N N 38 128.016 128.016 126.679 1.337 25477 99 1 1 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.028 1.297 25477 100 1 1 . 1 1 38 38 ILE H H 38 9.561 9.561 8.517 1.044 25477 101 1 1 . 1 1 39 39 GLU N N 39 131.257 131.257 126.784 4.473 25477 102 1 1 . 1 1 39 39 GLU HA H 39 4.048 4.048 3.953 0.095 25477 103 1 1 . 1 1 39 39 GLU H H 39 9.317 9.317 7.994 1.323 25477 104 1 1 . 1 1 40 40 GLY N N 40 112.897 112.897 109.014 3.883 25477 105 1 1 . 1 1 40 40 GLY H H 40 8.977 8.977 8.427 0.550 25477 106 1 1 . 1 1 41 41 PHE N N 41 121.371 121.371 124.091 -2.720 25477 107 1 1 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.102 -0.561 25477 108 1 1 . 1 1 41 41 PHE H H 41 7.595 7.595 7.801 -0.206 25477 109 1 1 . 1 1 42 42 GLY H H 42 4.698 4.698 7.638 -2.940 25477 110 1 1 . 1 1 43 43 LYS N N 43 121.161 121.161 120.614 0.547 25477 111 1 1 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 3.865 -3.983 25477 112 1 1 . 1 1 43 43 LYS H H 43 7.221 7.221 8.514 -1.293 25477 113 1 1 . 1 1 44 44 GLU N N 44 117.347 117.347 118.649 -1.302 25477 114 1 1 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.024 2.104 25477 115 1 1 . 1 1 44 44 GLU H H 44 8.811 8.811 8.427 0.384 25477 116 1 1 . 1 1 45 45 MET N N 45 119.032 119.032 119.324 -0.292 25477 117 1 1 . 1 1 45 45 MET HA H 45 4.195 4.195 4.038 0.157 25477 118 1 1 . 1 1 45 45 MET H H 45 8.202 8.202 7.362 0.840 25477 119 1 1 . 1 1 46 46 ALA N N 46 120.454 120.454 120.601 -0.147 25477 120 1 1 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.805 -2.078 25477 121 1 1 . 1 1 46 46 ALA H H 46 7.585 7.585 6.940 0.645 25477 122 1 1 . 1 1 47 47 HIS N N 47 118.598 118.598 116.141 2.457 25477 123 1 1 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.254 4.020 25477 124 1 1 . 1 1 47 47 HIS H H 47 11.691 11.691 7.447 4.244 25477 125 1 1 . 1 1 48 48 GLY N N 48 112.155 112.155 107.357 4.798 25477 126 1 1 . 1 1 48 48 GLY H H 48 8.572 8.572 7.635 0.937 25477 127 1 1 . 1 1 49 49 LYS N N 49 126.044 126.044 120.830 5.214 25477 128 1 1 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.353 -1.036 25477 129 1 1 . 1 1 49 49 LYS H H 49 9.177 9.177 8.385 0.792 25477 130 1 1 . 1 1 50 50 GLY N N 50 104.401 104.401 105.051 -0.650 25477 131 1 1 . 1 1 50 50 GLY H H 50 7.684 7.684 7.760 -0.076 25477 132 1 1 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.264 -6.183 25477 133 1 1 . 1 1 51 51 CYS H H 51 4.993 4.993 8.185 -3.192 25477 134 1 1 . 1 1 52 52 LYS N N 52 121.643 121.643 122.567 -0.924 25477 135 1 1 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.739 0.806 25477 136 1 1 . 1 1 52 52 LYS H H 52 7.729 7.729 7.871 -0.142 25477 137 1 1 . 1 1 53 53 GLY N N 53 104.830 104.830 108.681 -3.851 25477 138 1 1 . 1 1 53 53 GLY H H 53 9.306 9.306 8.655 0.651 25477 139 1 1 . 1 1 54 54 CYS N N 54 118.874 118.874 121.152 -2.278 25477 140 1 1 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.994 0.421 25477 141 1 1 . 1 1 54 54 CYS H H 54 6.172 6.172 8.086 -1.914 25477 142 1 1 . 1 1 55 55 HIS N N 55 119.047 119.047 119.411 -0.364 25477 143 1 1 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.296 4.261 25477 144 1 1 . 1 1 55 55 HIS H H 55 10.083 10.083 7.795 2.288 25477 145 1 1 . 1 1 56 56 GLU N N 56 119.125 119.125 118.682 0.443 25477 146 1 1 . 1 1 56 56 GLU HA H 56 4.780 4.780 3.983 0.797 25477 147 1 1 . 1 1 56 56 GLU H H 56 9.871 9.871 8.473 1.398 25477 148 1 1 . 1 1 57 57 GLU N N 57 120.962 120.962 117.925 3.037 25477 149 1 1 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.300 0.001 25477 150 1 1 . 1 1 57 57 GLU H H 57 8.337 8.337 8.297 0.040 25477 151 1 1 . 1 1 58 58 MET N N 58 114.871 114.871 118.507 -3.636 25477 152 1 1 . 1 1 58 58 MET HA H 58 4.270 4.270 4.233 0.037 25477 153 1 1 . 1 1 58 58 MET H H 58 9.289 9.289 8.369 0.920 25477 154 1 1 . 1 1 59 59 LYS N N 59 115.252 115.252 113.473 1.779 25477 155 1 1 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.932 0.259 25477 156 1 1 . 1 1 59 59 LYS H H 59 8.157 8.157 8.254 -0.097 25477 157 1 1 . 1 1 60 60 LYS N N 60 118.225 118.225 117.552 0.673 25477 158 1 1 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.564 -0.699 25477 159 1 1 . 1 1 60 60 LYS H H 60 8.245 8.245 7.520 0.725 25477 160 1 1 . 1 1 61 61 GLY N N 61 102.395 102.395 109.237 -6.842 25477 161 1 1 . 1 1 61 61 GLY H H 61 6.115 6.115 8.308 -2.193 25477 162 1 1 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.729 -0.215 25477 163 1 1 . 1 1 63 63 THR N N 63 111.336 111.336 110.087 1.249 25477 164 1 1 . 1 1 63 63 THR HA H 63 4.951 4.951 4.461 0.490 25477 165 1 1 . 1 1 63 63 THR H H 63 8.757 8.757 8.100 0.657 25477 166 1 1 . 1 1 64 64 LYS N N 64 123.633 123.633 122.059 1.574 25477 167 1 1 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.289 -0.288 25477 168 1 1 . 1 1 64 64 LYS H H 64 8.034 8.034 7.913 0.121 25477 169 1 1 . 1 1 65 65 CYS N N 65 116.426 116.426 119.687 -3.261 25477 170 1 1 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.437 -5.822 25477 171 1 1 . 1 1 65 65 CYS H H 65 6.648 6.648 8.682 -2.034 25477 172 1 1 . 1 1 66 66 GLY N N 66 102.751 102.751 109.334 -6.583 25477 173 1 1 . 1 1 66 66 GLY H H 66 8.344 8.344 8.643 -0.299 25477 174 1 1 . 1 1 67 67 GLU N N 67 115.893 115.893 118.905 -3.012 25477 175 1 1 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.415 -0.274 25477 176 1 1 . 1 1 67 67 GLU H H 67 6.998 6.998 8.347 -1.349 25477 177 1 1 . 1 1 68 68 CYS N N 68 113.306 113.306 116.818 -3.512 25477 178 1 1 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.447 1.095 25477 179 1 1 . 1 1 68 68 CYS H H 68 6.644 6.644 8.202 -1.558 25477 180 1 1 . 1 1 69 69 HIS N N 69 121.421 121.421 119.149 2.272 25477 181 1 1 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.538 4.976 25477 182 1 1 . 1 1 69 69 HIS H H 69 11.614 11.614 8.712 2.902 25477 183 1 1 . 1 1 70 70 LYS N N 70 127.268 127.268 122.664 4.604 25477 184 1 1 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.669 1.165 25477 185 1 1 . 1 1 70 70 LYS H H 70 10.287 10.287 8.446 1.841 25477 186 1 2 . 1 1 2 2 ASP N N 2 124.367 124.367 119.962 4.405 25477 187 1 2 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.276 2.971 25477 188 1 2 . 1 1 2 2 ASP H H 2 10.343 10.343 8.684 1.659 25477 189 1 2 . 1 1 3 3 ASP N N 3 120.501 120.501 121.286 -0.785 25477 190 1 2 . 1 1 3 3 ASP HA H 3 7.279 7.279 5.055 2.224 25477 191 1 2 . 1 1 3 3 ASP H H 3 9.546 9.546 8.440 1.106 25477 192 1 2 . 1 1 4 4 ILE N N 4 123.994 123.994 126.815 -2.821 25477 193 1 2 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.318 0.781 25477 194 1 2 . 1 1 4 4 ILE H H 4 10.258 10.258 9.095 1.163 25477 195 1 2 . 1 1 5 5 VAL N N 5 129.474 129.474 128.288 1.186 25477 196 1 2 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.413 0.519 25477 197 1 2 . 1 1 5 5 VAL H H 5 9.384 9.384 8.780 0.604 25477 198 1 2 . 1 1 6 6 LEU N N 6 132.431 132.431 129.650 2.781 25477 199 1 2 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.450 0.092 25477 200 1 2 . 1 1 6 6 LEU H H 6 9.655 9.655 8.033 1.622 25477 201 1 2 . 1 1 7 7 LYS N N 7 124.598 124.598 123.760 0.838 25477 202 1 2 . 1 1 7 7 LYS HA H 7 4.947 4.947 3.947 1.000 25477 203 1 2 . 1 1 7 7 LYS H H 7 8.556 8.556 8.010 0.546 25477 204 1 2 . 1 1 8 8 ALA N N 8 124.683 124.683 126.645 -1.962 25477 205 1 2 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.734 0.048 25477 206 1 2 . 1 1 8 8 ALA H H 8 10.136 10.136 8.423 1.713 25477 207 1 2 . 1 1 9 9 LYS N N 9 125.212 125.212 120.196 5.016 25477 208 1 2 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.263 0.074 25477 209 1 2 . 1 1 9 9 LYS H H 9 10.009 10.009 8.568 1.441 25477 210 1 2 . 1 1 10 10 ASN N N 10 114.864 114.864 117.268 -2.404 25477 211 1 2 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.787 0.320 25477 212 1 2 . 1 1 10 10 ASN H H 10 9.692 9.692 7.872 1.820 25477 213 1 2 . 1 1 11 11 GLY N N 11 113.592 113.592 110.151 3.441 25477 214 1 2 . 1 1 11 11 GLY H H 11 9.484 9.484 7.958 1.526 25477 215 1 2 . 1 1 12 12 ASP N N 12 133.500 133.500 122.741 10.759 25477 216 1 2 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.770 2.216 25477 217 1 2 . 1 1 12 12 ASP H H 12 10.354 10.354 8.356 1.998 25477 218 1 2 . 1 1 13 13 VAL N N 13 122.888 122.888 117.818 5.070 25477 219 1 2 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.684 2.080 25477 220 1 2 . 1 1 13 13 VAL H H 13 10.729 10.729 8.323 2.406 25477 221 1 2 . 1 1 14 14 LYS N N 14 130.045 130.045 128.892 1.153 25477 222 1 2 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.306 0.768 25477 223 1 2 . 1 1 14 14 LYS H H 14 9.987 9.987 8.532 1.455 25477 224 1 2 . 1 1 15 15 PHE N N 15 126.228 126.228 126.076 0.152 25477 225 1 2 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.894 0.921 25477 226 1 2 . 1 1 15 15 PHE H H 15 9.869 9.869 8.039 1.830 25477 227 1 2 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.686 2.699 25477 228 1 2 . 1 1 17 17 HIS N N 17 138.291 138.291 126.498 11.793 25477 229 1 2 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.863 4.514 25477 230 1 2 . 1 1 17 17 HIS H H 17 11.607 11.607 8.758 2.849 25477 231 1 2 . 1 1 18 18 LYS N N 18 126.220 126.220 119.591 6.629 25477 232 1 2 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.998 3.449 25477 233 1 2 . 1 1 18 18 LYS H H 18 12.968 12.968 7.871 5.097 25477 234 1 2 . 1 1 19 19 ALA N N 19 124.418 124.418 120.754 3.664 25477 235 1 2 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.195 1.383 25477 236 1 2 . 1 1 19 19 ALA H H 19 10.987 10.987 8.244 2.743 25477 237 1 2 . 1 1 20 20 HIS N N 20 118.446 118.446 115.205 3.241 25477 238 1 2 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.577 3.347 25477 239 1 2 . 1 1 20 20 HIS H H 20 12.109 12.109 7.548 4.561 25477 240 1 2 . 1 1 21 21 GLN N N 21 121.637 121.637 118.304 3.333 25477 241 1 2 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.387 -0.631 25477 242 1 2 . 1 1 21 21 GLN H H 21 9.883 9.883 7.490 2.393 25477 243 1 2 . 1 1 22 22 LYS N N 22 117.108 117.108 118.757 -1.649 25477 244 1 2 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.439 0.009 25477 245 1 2 . 1 1 22 22 LYS H H 22 8.086 8.086 7.672 0.414 25477 246 1 2 . 1 1 23 23 ALA N N 23 119.728 119.728 121.755 -2.027 25477 247 1 2 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.414 -0.038 25477 248 1 2 . 1 1 23 23 ALA H H 23 8.047 8.047 8.030 0.017 25477 249 1 2 . 1 1 24 24 VAL N N 24 118.949 118.949 119.506 -0.557 25477 250 1 2 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.458 -0.634 25477 251 1 2 . 1 1 24 24 VAL H H 24 8.394 8.394 7.483 0.911 25477 252 1 2 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.544 -0.321 25477 253 1 2 . 1 1 26 26 ASP N N 26 118.341 118.341 118.667 -0.326 25477 254 1 2 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.596 -0.197 25477 255 1 2 . 1 1 26 26 ASP H H 26 7.169 7.169 7.966 -0.797 25477 256 1 2 . 1 1 27 27 CYS N N 27 124.578 124.578 124.539 0.039 25477 257 1 2 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.157 -2.111 25477 258 1 2 . 1 1 27 27 CYS H H 27 7.468 7.468 8.978 -1.510 25477 259 1 2 . 1 1 28 28 LYS N N 28 115.097 115.097 119.511 -4.414 25477 260 1 2 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.274 1.240 25477 261 1 2 . 1 1 28 28 LYS H H 28 8.329 8.329 8.319 0.011 25477 262 1 2 . 1 1 29 29 LYS N N 29 118.552 118.552 120.682 -2.130 25477 263 1 2 . 1 1 29 29 LYS HA H 29 3.787 3.787 3.999 -0.212 25477 264 1 2 . 1 1 29 29 LYS H H 29 7.449 7.449 8.549 -1.100 25477 265 1 2 . 1 1 30 30 CYS N N 30 111.091 111.091 114.599 -3.508 25477 266 1 2 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.375 0.024 25477 267 1 2 . 1 1 30 30 CYS H H 30 6.636 6.636 7.725 -1.089 25477 268 1 2 . 1 1 31 31 HIS N N 31 122.497 122.497 119.367 3.130 25477 269 1 2 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.823 5.408 25477 270 1 2 . 1 1 31 31 HIS H H 31 11.948 11.948 7.907 4.041 25477 271 1 2 . 1 1 32 32 GLU N N 32 128.508 128.508 121.277 7.231 25477 272 1 2 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.304 0.843 25477 273 1 2 . 1 1 32 32 GLU H H 32 10.401 10.401 7.928 2.473 25477 274 1 2 . 1 1 33 33 LYS N N 33 117.199 117.199 117.835 -0.636 25477 275 1 2 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.511 0.793 25477 276 1 2 . 1 1 33 33 LYS H H 33 10.277 10.277 8.109 2.168 25477 277 1 2 . 1 1 34 34 GLY N N 34 109.000 109.000 108.757 0.243 25477 278 1 2 . 1 1 34 34 GLY H H 34 8.997 8.997 7.595 1.402 25477 279 1 2 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.647 2.590 25477 280 1 2 . 1 1 37 37 LYS N N 37 118.406 118.406 120.009 -1.603 25477 281 1 2 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.272 -1.466 25477 282 1 2 . 1 1 37 37 LYS H H 37 7.501 7.501 8.195 -0.694 25477 283 1 2 . 1 1 38 38 ILE N N 38 128.016 128.016 124.113 3.903 25477 284 1 2 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.184 1.141 25477 285 1 2 . 1 1 38 38 ILE H H 38 9.561 9.561 8.303 1.258 25477 286 1 2 . 1 1 39 39 GLU N N 39 131.257 131.257 127.639 3.618 25477 287 1 2 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.051 -0.003 25477 288 1 2 . 1 1 39 39 GLU H H 39 9.317 9.317 8.761 0.556 25477 289 1 2 . 1 1 40 40 GLY N N 40 112.897 112.897 112.725 0.172 25477 290 1 2 . 1 1 40 40 GLY H H 40 8.977 8.977 8.643 0.334 25477 291 1 2 . 1 1 41 41 PHE N N 41 121.371 121.371 123.905 -2.534 25477 292 1 2 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.373 -0.832 25477 293 1 2 . 1 1 41 41 PHE H H 41 7.595 7.595 7.933 -0.338 25477 294 1 2 . 1 1 42 42 GLY H H 42 4.698 4.698 7.661 -2.963 25477 295 1 2 . 1 1 43 43 LYS N N 43 121.161 121.161 120.157 1.004 25477 296 1 2 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.120 -4.238 25477 297 1 2 . 1 1 43 43 LYS H H 43 7.221 7.221 8.544 -1.323 25477 298 1 2 . 1 1 44 44 GLU N N 44 117.347 117.347 120.353 -3.006 25477 299 1 2 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.122 2.006 25477 300 1 2 . 1 1 44 44 GLU H H 44 8.811 8.811 8.593 0.218 25477 301 1 2 . 1 1 45 45 MET N N 45 119.032 119.032 116.647 2.385 25477 302 1 2 . 1 1 45 45 MET HA H 45 4.195 4.195 3.949 0.246 25477 303 1 2 . 1 1 45 45 MET H H 45 8.202 8.202 8.009 0.193 25477 304 1 2 . 1 1 46 46 ALA N N 46 120.454 120.454 120.612 -0.158 25477 305 1 2 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.799 -2.071 25477 306 1 2 . 1 1 46 46 ALA H H 46 7.585 7.585 7.207 0.378 25477 307 1 2 . 1 1 47 47 HIS N N 47 118.598 118.598 116.596 2.002 25477 308 1 2 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.219 4.055 25477 309 1 2 . 1 1 47 47 HIS H H 47 11.691 11.691 7.488 4.203 25477 310 1 2 . 1 1 48 48 GLY N N 48 112.155 112.155 107.120 5.035 25477 311 1 2 . 1 1 48 48 GLY H H 48 8.572 8.572 7.881 0.691 25477 312 1 2 . 1 1 49 49 LYS N N 49 126.044 126.044 121.541 4.503 25477 313 1 2 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.354 -1.037 25477 314 1 2 . 1 1 49 49 LYS H H 49 9.177 9.177 8.318 0.859 25477 315 1 2 . 1 1 50 50 GLY N N 50 104.401 104.401 106.330 -1.929 25477 316 1 2 . 1 1 50 50 GLY H H 50 7.684 7.684 7.726 -0.042 25477 317 1 2 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.223 -6.142 25477 318 1 2 . 1 1 51 51 CYS H H 51 4.993 4.993 8.134 -3.141 25477 319 1 2 . 1 1 52 52 LYS N N 52 121.643 121.643 122.226 -0.583 25477 320 1 2 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.772 0.773 25477 321 1 2 . 1 1 52 52 LYS H H 52 7.729 7.729 7.906 -0.177 25477 322 1 2 . 1 1 53 53 GLY N N 53 104.830 104.830 108.843 -4.013 25477 323 1 2 . 1 1 53 53 GLY H H 53 9.306 9.306 8.358 0.948 25477 324 1 2 . 1 1 54 54 CYS N N 54 118.874 118.874 121.229 -2.355 25477 325 1 2 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.990 0.425 25477 326 1 2 . 1 1 54 54 CYS H H 54 6.172 6.172 7.970 -1.798 25477 327 1 2 . 1 1 55 55 HIS N N 55 119.047 119.047 119.203 -0.156 25477 328 1 2 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.260 4.297 25477 329 1 2 . 1 1 55 55 HIS H H 55 10.083 10.083 7.845 2.238 25477 330 1 2 . 1 1 56 56 GLU N N 56 119.125 119.125 118.866 0.259 25477 331 1 2 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.023 0.757 25477 332 1 2 . 1 1 56 56 GLU H H 56 9.871 9.871 8.385 1.486 25477 333 1 2 . 1 1 57 57 GLU N N 57 120.962 120.962 117.626 3.336 25477 334 1 2 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.264 0.037 25477 335 1 2 . 1 1 57 57 GLU H H 57 8.337 8.337 8.266 0.071 25477 336 1 2 . 1 1 58 58 MET N N 58 114.871 114.871 118.704 -3.833 25477 337 1 2 . 1 1 58 58 MET HA H 58 4.270 4.270 4.204 0.066 25477 338 1 2 . 1 1 58 58 MET H H 58 9.289 9.289 8.358 0.931 25477 339 1 2 . 1 1 59 59 LYS N N 59 115.252 115.252 116.908 -1.656 25477 340 1 2 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.011 0.180 25477 341 1 2 . 1 1 59 59 LYS H H 59 8.157 8.157 8.107 0.050 25477 342 1 2 . 1 1 60 60 LYS N N 60 118.225 118.225 116.940 1.285 25477 343 1 2 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.477 -0.612 25477 344 1 2 . 1 1 60 60 LYS H H 60 8.245 8.245 7.749 0.496 25477 345 1 2 . 1 1 61 61 GLY N N 61 102.395 102.395 109.992 -7.597 25477 346 1 2 . 1 1 61 61 GLY H H 61 6.115 6.115 8.248 -2.133 25477 347 1 2 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.792 -0.278 25477 348 1 2 . 1 1 63 63 THR N N 63 111.336 111.336 111.131 0.205 25477 349 1 2 . 1 1 63 63 THR HA H 63 4.951 4.951 4.383 0.568 25477 350 1 2 . 1 1 63 63 THR H H 63 8.757 8.757 8.086 0.671 25477 351 1 2 . 1 1 64 64 LYS N N 64 123.633 123.633 122.042 1.591 25477 352 1 2 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.245 -0.244 25477 353 1 2 . 1 1 64 64 LYS H H 64 8.034 8.034 8.037 -0.003 25477 354 1 2 . 1 1 65 65 CYS N N 65 116.426 116.426 119.744 -3.318 25477 355 1 2 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.433 -5.818 25477 356 1 2 . 1 1 65 65 CYS H H 65 6.648 6.648 8.685 -2.037 25477 357 1 2 . 1 1 66 66 GLY N N 66 102.751 102.751 108.766 -6.015 25477 358 1 2 . 1 1 66 66 GLY H H 66 8.344 8.344 8.761 -0.417 25477 359 1 2 . 1 1 67 67 GLU N N 67 115.893 115.893 119.214 -3.321 25477 360 1 2 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.353 -0.212 25477 361 1 2 . 1 1 67 67 GLU H H 67 6.998 6.998 8.324 -1.326 25477 362 1 2 . 1 1 68 68 CYS N N 68 113.306 113.306 116.877 -3.571 25477 363 1 2 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.376 1.166 25477 364 1 2 . 1 1 68 68 CYS H H 68 6.644 6.644 8.096 -1.452 25477 365 1 2 . 1 1 69 69 HIS N N 69 121.421 121.421 118.551 2.870 25477 366 1 2 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.431 5.083 25477 367 1 2 . 1 1 69 69 HIS H H 69 11.614 11.614 8.627 2.987 25477 368 1 2 . 1 1 70 70 LYS N N 70 127.268 127.268 123.888 3.380 25477 369 1 2 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.799 1.035 25477 370 1 2 . 1 1 70 70 LYS H H 70 10.287 10.287 8.138 2.149 25477 371 1 3 . 1 1 2 2 ASP N N 2 124.367 124.367 120.772 3.595 25477 372 1 3 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.228 3.019 25477 373 1 3 . 1 1 2 2 ASP H H 2 10.343 10.343 8.577 1.766 25477 374 1 3 . 1 1 3 3 ASP N N 3 120.501 120.501 120.966 -0.465 25477 375 1 3 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.919 2.360 25477 376 1 3 . 1 1 3 3 ASP H H 3 9.546 9.546 8.318 1.228 25477 377 1 3 . 1 1 4 4 ILE N N 4 123.994 123.994 127.402 -3.408 25477 378 1 3 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.350 0.749 25477 379 1 3 . 1 1 4 4 ILE H H 4 10.258 10.258 8.990 1.268 25477 380 1 3 . 1 1 5 5 VAL N N 5 129.474 129.474 127.538 1.936 25477 381 1 3 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.815 0.117 25477 382 1 3 . 1 1 5 5 VAL H H 5 9.384 9.384 8.726 0.658 25477 383 1 3 . 1 1 6 6 LEU N N 6 132.431 132.431 129.756 2.675 25477 384 1 3 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.557 -0.015 25477 385 1 3 . 1 1 6 6 LEU H H 6 9.655 9.655 8.501 1.154 25477 386 1 3 . 1 1 7 7 LYS N N 7 124.598 124.598 123.520 1.078 25477 387 1 3 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.282 0.665 25477 388 1 3 . 1 1 7 7 LYS H H 7 8.556 8.556 7.980 0.576 25477 389 1 3 . 1 1 8 8 ALA N N 8 124.683 124.683 126.615 -1.932 25477 390 1 3 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.789 -0.007 25477 391 1 3 . 1 1 8 8 ALA H H 8 10.136 10.136 8.102 2.034 25477 392 1 3 . 1 1 9 9 LYS N N 9 125.212 125.212 120.232 4.980 25477 393 1 3 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.261 0.076 25477 394 1 3 . 1 1 9 9 LYS H H 9 10.009 10.009 8.494 1.515 25477 395 1 3 . 1 1 10 10 ASN N N 10 114.864 114.864 118.148 -3.284 25477 396 1 3 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.798 0.309 25477 397 1 3 . 1 1 10 10 ASN H H 10 9.692 9.692 7.906 1.786 25477 398 1 3 . 1 1 11 11 GLY N N 11 113.592 113.592 109.863 3.729 25477 399 1 3 . 1 1 11 11 GLY H H 11 9.484 9.484 8.159 1.325 25477 400 1 3 . 1 1 12 12 ASP N N 12 133.500 133.500 123.498 10.002 25477 401 1 3 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.780 2.206 25477 402 1 3 . 1 1 12 12 ASP H H 12 10.354 10.354 8.460 1.894 25477 403 1 3 . 1 1 13 13 VAL N N 13 122.888 122.888 119.134 3.754 25477 404 1 3 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.765 1.999 25477 405 1 3 . 1 1 13 13 VAL H H 13 10.729 10.729 8.044 2.685 25477 406 1 3 . 1 1 14 14 LYS N N 14 130.045 130.045 128.935 1.110 25477 407 1 3 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.425 0.649 25477 408 1 3 . 1 1 14 14 LYS H H 14 9.987 9.987 8.484 1.503 25477 409 1 3 . 1 1 15 15 PHE N N 15 126.228 126.228 126.455 -0.227 25477 410 1 3 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.863 0.952 25477 411 1 3 . 1 1 15 15 PHE H H 15 9.869 9.869 8.655 1.214 25477 412 1 3 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.671 2.714 25477 413 1 3 . 1 1 17 17 HIS N N 17 138.291 138.291 127.162 11.129 25477 414 1 3 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.755 4.622 25477 415 1 3 . 1 1 17 17 HIS H H 17 11.607 11.607 8.332 3.275 25477 416 1 3 . 1 1 18 18 LYS N N 18 126.220 126.220 118.390 7.830 25477 417 1 3 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.981 3.466 25477 418 1 3 . 1 1 18 18 LYS H H 18 12.968 12.968 7.809 5.159 25477 419 1 3 . 1 1 19 19 ALA N N 19 124.418 124.418 121.276 3.142 25477 420 1 3 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.210 1.367 25477 421 1 3 . 1 1 19 19 ALA H H 19 10.987 10.987 7.325 3.662 25477 422 1 3 . 1 1 20 20 HIS N N 20 118.446 118.446 114.775 3.671 25477 423 1 3 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.506 3.418 25477 424 1 3 . 1 1 20 20 HIS H H 20 12.109 12.109 7.699 4.410 25477 425 1 3 . 1 1 21 21 GLN N N 21 121.637 121.637 116.128 5.509 25477 426 1 3 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.306 -0.550 25477 427 1 3 . 1 1 21 21 GLN H H 21 9.883 9.883 7.336 2.547 25477 428 1 3 . 1 1 22 22 LYS N N 22 117.108 117.108 118.136 -1.028 25477 429 1 3 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.366 0.082 25477 430 1 3 . 1 1 22 22 LYS H H 22 8.086 8.086 7.574 0.512 25477 431 1 3 . 1 1 23 23 ALA N N 23 119.728 119.728 121.502 -1.774 25477 432 1 3 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.445 -0.069 25477 433 1 3 . 1 1 23 23 ALA H H 23 8.047 8.047 8.196 -0.149 25477 434 1 3 . 1 1 24 24 VAL N N 24 118.949 118.949 119.245 -0.296 25477 435 1 3 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.244 -0.420 25477 436 1 3 . 1 1 24 24 VAL H H 24 8.394 8.394 7.709 0.685 25477 437 1 3 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.181 0.042 25477 438 1 3 . 1 1 26 26 ASP N N 26 118.341 118.341 115.239 3.102 25477 439 1 3 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.642 -0.243 25477 440 1 3 . 1 1 26 26 ASP H H 26 7.169 7.169 8.313 -1.144 25477 441 1 3 . 1 1 27 27 CYS N N 27 124.578 124.578 119.422 5.156 25477 442 1 3 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.022 -1.976 25477 443 1 3 . 1 1 27 27 CYS H H 27 7.468 7.468 8.089 -0.621 25477 444 1 3 . 1 1 28 28 LYS N N 28 115.097 115.097 118.578 -3.481 25477 445 1 3 . 1 1 28 28 LYS HA H 28 5.514 5.514 3.813 1.701 25477 446 1 3 . 1 1 28 28 LYS H H 28 8.329 8.329 8.674 -0.345 25477 447 1 3 . 1 1 29 29 LYS N N 29 118.552 118.552 117.709 0.843 25477 448 1 3 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.176 -0.389 25477 449 1 3 . 1 1 29 29 LYS H H 29 7.449 7.449 8.342 -0.893 25477 450 1 3 . 1 1 30 30 CYS N N 30 111.091 111.091 115.268 -4.177 25477 451 1 3 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.622 -0.223 25477 452 1 3 . 1 1 30 30 CYS H H 30 6.636 6.636 8.212 -1.576 25477 453 1 3 . 1 1 31 31 HIS N N 31 122.497 122.497 120.670 1.827 25477 454 1 3 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.716 5.515 25477 455 1 3 . 1 1 31 31 HIS H H 31 11.948 11.948 8.169 3.779 25477 456 1 3 . 1 1 32 32 GLU N N 32 128.508 128.508 120.341 8.167 25477 457 1 3 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.128 1.019 25477 458 1 3 . 1 1 32 32 GLU H H 32 10.401 10.401 7.980 2.421 25477 459 1 3 . 1 1 33 33 LYS N N 33 117.199 117.199 118.317 -1.118 25477 460 1 3 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.294 1.010 25477 461 1 3 . 1 1 33 33 LYS H H 33 10.277 10.277 8.449 1.828 25477 462 1 3 . 1 1 34 34 GLY N N 34 109.000 109.000 103.846 5.154 25477 463 1 3 . 1 1 34 34 GLY H H 34 8.997 8.997 7.891 1.106 25477 464 1 3 . 1 1 35 35 PRO HA H 35 6.237 6.237 4.049 2.188 25477 465 1 3 . 1 1 37 37 LYS N N 37 118.406 118.406 121.214 -2.808 25477 466 1 3 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.282 -1.476 25477 467 1 3 . 1 1 37 37 LYS H H 37 7.501 7.501 8.175 -0.674 25477 468 1 3 . 1 1 38 38 ILE N N 38 128.016 128.016 123.454 4.562 25477 469 1 3 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.217 1.108 25477 470 1 3 . 1 1 38 38 ILE H H 38 9.561 9.561 8.355 1.206 25477 471 1 3 . 1 1 39 39 GLU N N 39 131.257 131.257 130.391 0.866 25477 472 1 3 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.460 -0.412 25477 473 1 3 . 1 1 39 39 GLU H H 39 9.317 9.317 8.677 0.640 25477 474 1 3 . 1 1 40 40 GLY N N 40 112.897 112.897 111.193 1.704 25477 475 1 3 . 1 1 40 40 GLY H H 40 8.977 8.977 8.902 0.075 25477 476 1 3 . 1 1 41 41 PHE N N 41 121.371 121.371 123.359 -1.988 25477 477 1 3 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.246 -0.705 25477 478 1 3 . 1 1 41 41 PHE H H 41 7.595 7.595 7.573 0.022 25477 479 1 3 . 1 1 42 42 GLY H H 42 4.698 4.698 7.480 -2.782 25477 480 1 3 . 1 1 43 43 LYS N N 43 121.161 121.161 121.091 0.070 25477 481 1 3 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.064 -4.182 25477 482 1 3 . 1 1 43 43 LYS H H 43 7.221 7.221 8.728 -1.507 25477 483 1 3 . 1 1 44 44 GLU N N 44 117.347 117.347 117.795 -0.448 25477 484 1 3 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.154 1.974 25477 485 1 3 . 1 1 44 44 GLU H H 44 8.811 8.811 8.555 0.256 25477 486 1 3 . 1 1 45 45 MET N N 45 119.032 119.032 119.245 -0.213 25477 487 1 3 . 1 1 45 45 MET HA H 45 4.195 4.195 4.158 0.037 25477 488 1 3 . 1 1 45 45 MET H H 45 8.202 8.202 7.311 0.891 25477 489 1 3 . 1 1 46 46 ALA N N 46 120.454 120.454 120.960 -0.506 25477 490 1 3 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.548 -1.820 25477 491 1 3 . 1 1 46 46 ALA H H 46 7.585 7.585 7.797 -0.212 25477 492 1 3 . 1 1 47 47 HIS N N 47 118.598 118.598 115.758 2.840 25477 493 1 3 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.261 4.013 25477 494 1 3 . 1 1 47 47 HIS H H 47 11.691 11.691 7.595 4.096 25477 495 1 3 . 1 1 48 48 GLY N N 48 112.155 112.155 107.424 4.731 25477 496 1 3 . 1 1 48 48 GLY H H 48 8.572 8.572 8.029 0.543 25477 497 1 3 . 1 1 49 49 LYS N N 49 126.044 126.044 119.960 6.084 25477 498 1 3 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.341 -1.024 25477 499 1 3 . 1 1 49 49 LYS H H 49 9.177 9.177 8.205 0.972 25477 500 1 3 . 1 1 50 50 GLY N N 50 104.401 104.401 106.529 -2.128 25477 501 1 3 . 1 1 50 50 GLY H H 50 7.684 7.684 7.659 0.025 25477 502 1 3 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.153 -6.072 25477 503 1 3 . 1 1 51 51 CYS H H 51 4.993 4.993 8.076 -3.083 25477 504 1 3 . 1 1 52 52 LYS N N 52 121.643 121.643 122.233 -0.590 25477 505 1 3 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.714 0.831 25477 506 1 3 . 1 1 52 52 LYS H H 52 7.729 7.729 7.922 -0.193 25477 507 1 3 . 1 1 53 53 GLY N N 53 104.830 104.830 109.067 -4.237 25477 508 1 3 . 1 1 53 53 GLY H H 53 9.306 9.306 8.549 0.757 25477 509 1 3 . 1 1 54 54 CYS N N 54 118.874 118.874 121.673 -2.799 25477 510 1 3 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.917 0.498 25477 511 1 3 . 1 1 54 54 CYS H H 54 6.172 6.172 8.216 -2.044 25477 512 1 3 . 1 1 55 55 HIS N N 55 119.047 119.047 119.010 0.037 25477 513 1 3 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.441 4.116 25477 514 1 3 . 1 1 55 55 HIS H H 55 10.083 10.083 7.902 2.181 25477 515 1 3 . 1 1 56 56 GLU N N 56 119.125 119.125 117.760 1.365 25477 516 1 3 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.098 0.682 25477 517 1 3 . 1 1 56 56 GLU H H 56 9.871 9.871 8.015 1.856 25477 518 1 3 . 1 1 57 57 GLU N N 57 120.962 120.962 118.518 2.444 25477 519 1 3 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.264 0.037 25477 520 1 3 . 1 1 57 57 GLU H H 57 8.337 8.337 8.227 0.110 25477 521 1 3 . 1 1 58 58 MET N N 58 114.871 114.871 118.071 -3.200 25477 522 1 3 . 1 1 58 58 MET HA H 58 4.270 4.270 4.230 0.040 25477 523 1 3 . 1 1 58 58 MET H H 58 9.289 9.289 8.564 0.725 25477 524 1 3 . 1 1 59 59 LYS N N 59 115.252 115.252 113.551 1.701 25477 525 1 3 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.041 0.150 25477 526 1 3 . 1 1 59 59 LYS H H 59 8.157 8.157 8.007 0.150 25477 527 1 3 . 1 1 60 60 LYS N N 60 118.225 118.225 117.410 0.815 25477 528 1 3 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.567 -0.702 25477 529 1 3 . 1 1 60 60 LYS H H 60 8.245 8.245 7.483 0.762 25477 530 1 3 . 1 1 61 61 GLY N N 61 102.395 102.395 109.545 -7.150 25477 531 1 3 . 1 1 61 61 GLY H H 61 6.115 6.115 8.303 -2.188 25477 532 1 3 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.771 -0.257 25477 533 1 3 . 1 1 63 63 THR N N 63 111.336 111.336 109.921 1.415 25477 534 1 3 . 1 1 63 63 THR HA H 63 4.951 4.951 4.454 0.497 25477 535 1 3 . 1 1 63 63 THR H H 63 8.757 8.757 8.050 0.707 25477 536 1 3 . 1 1 64 64 LYS N N 64 123.633 123.633 122.281 1.352 25477 537 1 3 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.325 -0.324 25477 538 1 3 . 1 1 64 64 LYS H H 64 8.034 8.034 7.967 0.067 25477 539 1 3 . 1 1 65 65 CYS N N 65 116.426 116.426 119.460 -3.034 25477 540 1 3 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.436 -5.821 25477 541 1 3 . 1 1 65 65 CYS H H 65 6.648 6.648 8.730 -2.082 25477 542 1 3 . 1 1 66 66 GLY N N 66 102.751 102.751 108.387 -5.636 25477 543 1 3 . 1 1 66 66 GLY H H 66 8.344 8.344 8.763 -0.419 25477 544 1 3 . 1 1 67 67 GLU N N 67 115.893 115.893 119.153 -3.260 25477 545 1 3 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.353 -0.212 25477 546 1 3 . 1 1 67 67 GLU H H 67 6.998 6.998 8.333 -1.335 25477 547 1 3 . 1 1 68 68 CYS N N 68 113.306 113.306 116.498 -3.192 25477 548 1 3 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.477 1.065 25477 549 1 3 . 1 1 68 68 CYS H H 68 6.644 6.644 8.437 -1.793 25477 550 1 3 . 1 1 69 69 HIS N N 69 121.421 121.421 118.523 2.898 25477 551 1 3 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.181 5.333 25477 552 1 3 . 1 1 69 69 HIS H H 69 11.614 11.614 8.773 2.841 25477 553 1 3 . 1 1 70 70 LYS N N 70 127.268 127.268 123.074 4.194 25477 554 1 3 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.606 1.228 25477 555 1 3 . 1 1 70 70 LYS H H 70 10.287 10.287 8.148 2.139 25477 556 1 4 . 1 1 2 2 ASP N N 2 124.367 124.367 116.081 8.286 25477 557 1 4 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.655 2.592 25477 558 1 4 . 1 1 2 2 ASP H H 2 10.343 10.343 8.267 2.076 25477 559 1 4 . 1 1 3 3 ASP N N 3 120.501 120.501 120.782 -0.281 25477 560 1 4 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.672 2.607 25477 561 1 4 . 1 1 3 3 ASP H H 3 9.546 9.546 8.295 1.251 25477 562 1 4 . 1 1 4 4 ILE N N 4 123.994 123.994 123.240 0.754 25477 563 1 4 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.332 0.767 25477 564 1 4 . 1 1 4 4 ILE H H 4 10.258 10.258 8.540 1.718 25477 565 1 4 . 1 1 5 5 VAL N N 5 129.474 129.474 127.674 1.800 25477 566 1 4 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.518 0.414 25477 567 1 4 . 1 1 5 5 VAL H H 5 9.384 9.384 8.716 0.668 25477 568 1 4 . 1 1 6 6 LEU N N 6 132.431 132.431 129.557 2.874 25477 569 1 4 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.630 -0.088 25477 570 1 4 . 1 1 6 6 LEU H H 6 9.655 9.655 8.595 1.060 25477 571 1 4 . 1 1 7 7 LYS N N 7 124.598 124.598 123.744 0.854 25477 572 1 4 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.262 0.685 25477 573 1 4 . 1 1 7 7 LYS H H 7 8.556 8.556 8.523 0.033 25477 574 1 4 . 1 1 8 8 ALA N N 8 124.683 124.683 127.652 -2.969 25477 575 1 4 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.640 0.142 25477 576 1 4 . 1 1 8 8 ALA H H 8 10.136 10.136 8.088 2.048 25477 577 1 4 . 1 1 9 9 LYS N N 9 125.212 125.212 119.063 6.149 25477 578 1 4 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.290 0.047 25477 579 1 4 . 1 1 9 9 LYS H H 9 10.009 10.009 8.715 1.294 25477 580 1 4 . 1 1 10 10 ASN N N 10 114.864 114.864 118.965 -4.101 25477 581 1 4 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.850 0.257 25477 582 1 4 . 1 1 10 10 ASN H H 10 9.692 9.692 8.113 1.579 25477 583 1 4 . 1 1 11 11 GLY N N 11 113.592 113.592 108.759 4.833 25477 584 1 4 . 1 1 11 11 GLY H H 11 9.484 9.484 7.987 1.497 25477 585 1 4 . 1 1 12 12 ASP N N 12 133.500 133.500 123.726 9.774 25477 586 1 4 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.613 2.373 25477 587 1 4 . 1 1 12 12 ASP H H 12 10.354 10.354 8.521 1.833 25477 588 1 4 . 1 1 13 13 VAL N N 13 122.888 122.888 118.977 3.911 25477 589 1 4 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.783 1.981 25477 590 1 4 . 1 1 13 13 VAL H H 13 10.729 10.729 7.948 2.781 25477 591 1 4 . 1 1 14 14 LYS N N 14 130.045 130.045 128.466 1.579 25477 592 1 4 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.524 0.550 25477 593 1 4 . 1 1 14 14 LYS H H 14 9.987 9.987 8.360 1.627 25477 594 1 4 . 1 1 15 15 PHE N N 15 126.228 126.228 126.609 -0.381 25477 595 1 4 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.852 0.963 25477 596 1 4 . 1 1 15 15 PHE H H 15 9.869 9.869 8.273 1.596 25477 597 1 4 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.686 2.699 25477 598 1 4 . 1 1 17 17 HIS N N 17 138.291 138.291 127.187 11.104 25477 599 1 4 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.681 4.696 25477 600 1 4 . 1 1 17 17 HIS H H 17 11.607 11.607 7.946 3.661 25477 601 1 4 . 1 1 18 18 LYS N N 18 126.220 126.220 117.841 8.379 25477 602 1 4 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.121 3.326 25477 603 1 4 . 1 1 18 18 LYS H H 18 12.968 12.968 7.813 5.155 25477 604 1 4 . 1 1 19 19 ALA N N 19 124.418 124.418 121.789 2.629 25477 605 1 4 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.129 1.449 25477 606 1 4 . 1 1 19 19 ALA H H 19 10.987 10.987 7.857 3.130 25477 607 1 4 . 1 1 20 20 HIS N N 20 118.446 118.446 114.340 4.106 25477 608 1 4 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.497 3.427 25477 609 1 4 . 1 1 20 20 HIS H H 20 12.109 12.109 7.695 4.414 25477 610 1 4 . 1 1 21 21 GLN N N 21 121.637 121.637 116.227 5.410 25477 611 1 4 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.262 -0.506 25477 612 1 4 . 1 1 21 21 GLN H H 21 9.883 9.883 7.434 2.449 25477 613 1 4 . 1 1 22 22 LYS N N 22 117.108 117.108 117.625 -0.517 25477 614 1 4 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.433 0.015 25477 615 1 4 . 1 1 22 22 LYS H H 22 8.086 8.086 7.540 0.546 25477 616 1 4 . 1 1 23 23 ALA N N 23 119.728 119.728 122.100 -2.372 25477 617 1 4 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.250 0.126 25477 618 1 4 . 1 1 23 23 ALA H H 23 8.047 8.047 7.503 0.544 25477 619 1 4 . 1 1 24 24 VAL N N 24 118.949 118.949 117.274 1.675 25477 620 1 4 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.350 -0.526 25477 621 1 4 . 1 1 24 24 VAL H H 24 8.394 8.394 7.545 0.849 25477 622 1 4 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.170 0.053 25477 623 1 4 . 1 1 26 26 ASP N N 26 118.341 118.341 118.318 0.023 25477 624 1 4 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.670 -0.271 25477 625 1 4 . 1 1 26 26 ASP H H 26 7.169 7.169 8.087 -0.918 25477 626 1 4 . 1 1 27 27 CYS N N 27 124.578 124.578 120.703 3.875 25477 627 1 4 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.360 -2.314 25477 628 1 4 . 1 1 27 27 CYS H H 27 7.468 7.468 8.504 -1.036 25477 629 1 4 . 1 1 28 28 LYS N N 28 115.097 115.097 117.247 -2.150 25477 630 1 4 . 1 1 28 28 LYS HA H 28 5.514 5.514 3.970 1.544 25477 631 1 4 . 1 1 28 28 LYS H H 28 8.329 8.329 8.576 -0.247 25477 632 1 4 . 1 1 29 29 LYS N N 29 118.552 118.552 119.105 -0.553 25477 633 1 4 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.172 -0.385 25477 634 1 4 . 1 1 29 29 LYS H H 29 7.449 7.449 8.550 -1.101 25477 635 1 4 . 1 1 30 30 CYS N N 30 111.091 111.091 114.524 -3.433 25477 636 1 4 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.558 -0.159 25477 637 1 4 . 1 1 30 30 CYS H H 30 6.636 6.636 7.663 -1.027 25477 638 1 4 . 1 1 31 31 HIS N N 31 122.497 122.497 121.016 1.481 25477 639 1 4 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.622 5.609 25477 640 1 4 . 1 1 31 31 HIS H H 31 11.948 11.948 8.510 3.438 25477 641 1 4 . 1 1 32 32 GLU N N 32 128.508 128.508 122.470 6.038 25477 642 1 4 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.214 0.933 25477 643 1 4 . 1 1 32 32 GLU H H 32 10.401 10.401 8.029 2.372 25477 644 1 4 . 1 1 33 33 LYS N N 33 117.199 117.199 121.465 -4.266 25477 645 1 4 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.343 0.961 25477 646 1 4 . 1 1 33 33 LYS H H 33 10.277 10.277 8.911 1.366 25477 647 1 4 . 1 1 34 34 GLY N N 34 109.000 109.000 108.491 0.509 25477 648 1 4 . 1 1 34 34 GLY H H 34 8.997 8.997 7.949 1.048 25477 649 1 4 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.963 2.274 25477 650 1 4 . 1 1 37 37 LYS N N 37 118.406 118.406 119.284 -0.878 25477 651 1 4 . 1 1 37 37 LYS HA H 37 2.806 2.806 3.956 -1.150 25477 652 1 4 . 1 1 37 37 LYS H H 37 7.501 7.501 8.210 -0.709 25477 653 1 4 . 1 1 38 38 ILE N N 38 128.016 128.016 124.191 3.825 25477 654 1 4 . 1 1 38 38 ILE HA H 38 5.325 5.325 3.953 1.372 25477 655 1 4 . 1 1 38 38 ILE H H 38 9.561 9.561 8.224 1.337 25477 656 1 4 . 1 1 39 39 GLU N N 39 131.257 131.257 127.049 4.208 25477 657 1 4 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.041 0.007 25477 658 1 4 . 1 1 39 39 GLU H H 39 9.317 9.317 8.689 0.628 25477 659 1 4 . 1 1 40 40 GLY N N 40 112.897 112.897 111.513 1.384 25477 660 1 4 . 1 1 40 40 GLY H H 40 8.977 8.977 8.692 0.285 25477 661 1 4 . 1 1 41 41 PHE N N 41 121.371 121.371 121.771 -0.400 25477 662 1 4 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.343 -0.802 25477 663 1 4 . 1 1 41 41 PHE H H 41 7.595 7.595 7.928 -0.333 25477 664 1 4 . 1 1 42 42 GLY H H 42 4.698 4.698 7.366 -2.668 25477 665 1 4 . 1 1 43 43 LYS N N 43 121.161 121.161 119.923 1.238 25477 666 1 4 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 3.788 -3.906 25477 667 1 4 . 1 1 43 43 LYS H H 43 7.221 7.221 8.302 -1.081 25477 668 1 4 . 1 1 44 44 GLU N N 44 117.347 117.347 118.010 -0.663 25477 669 1 4 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.054 2.074 25477 670 1 4 . 1 1 44 44 GLU H H 44 8.811 8.811 8.585 0.227 25477 671 1 4 . 1 1 45 45 MET N N 45 119.032 119.032 115.813 3.219 25477 672 1 4 . 1 1 45 45 MET HA H 45 4.195 4.195 4.123 0.072 25477 673 1 4 . 1 1 45 45 MET H H 45 8.202 8.202 7.128 1.074 25477 674 1 4 . 1 1 46 46 ALA N N 46 120.454 120.454 121.867 -1.413 25477 675 1 4 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.868 -2.140 25477 676 1 4 . 1 1 46 46 ALA H H 46 7.585 7.585 7.404 0.181 25477 677 1 4 . 1 1 47 47 HIS N N 47 118.598 118.598 116.622 1.976 25477 678 1 4 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.279 3.995 25477 679 1 4 . 1 1 47 47 HIS H H 47 11.691 11.691 7.527 4.164 25477 680 1 4 . 1 1 48 48 GLY N N 48 112.155 112.155 108.477 3.678 25477 681 1 4 . 1 1 48 48 GLY H H 48 8.572 8.572 7.531 1.041 25477 682 1 4 . 1 1 49 49 LYS N N 49 126.044 126.044 121.848 4.196 25477 683 1 4 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.364 -1.047 25477 684 1 4 . 1 1 49 49 LYS H H 49 9.177 9.177 8.330 0.847 25477 685 1 4 . 1 1 50 50 GLY N N 50 104.401 104.401 106.391 -1.990 25477 686 1 4 . 1 1 50 50 GLY H H 50 7.684 7.684 7.641 0.043 25477 687 1 4 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.198 -6.117 25477 688 1 4 . 1 1 51 51 CYS H H 51 4.993 4.993 8.188 -3.195 25477 689 1 4 . 1 1 52 52 LYS N N 52 121.643 121.643 122.303 -0.660 25477 690 1 4 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.665 0.880 25477 691 1 4 . 1 1 52 52 LYS H H 52 7.729 7.729 7.828 -0.099 25477 692 1 4 . 1 1 53 53 GLY N N 53 104.830 104.830 108.977 -4.147 25477 693 1 4 . 1 1 53 53 GLY H H 53 9.306 9.306 8.568 0.738 25477 694 1 4 . 1 1 54 54 CYS N N 54 118.874 118.874 120.055 -1.181 25477 695 1 4 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.979 0.436 25477 696 1 4 . 1 1 54 54 CYS H H 54 6.172 6.172 8.296 -2.124 25477 697 1 4 . 1 1 55 55 HIS N N 55 119.047 119.047 118.478 0.569 25477 698 1 4 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.395 4.162 25477 699 1 4 . 1 1 55 55 HIS H H 55 10.083 10.083 7.852 2.231 25477 700 1 4 . 1 1 56 56 GLU N N 56 119.125 119.125 118.201 0.924 25477 701 1 4 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.080 0.700 25477 702 1 4 . 1 1 56 56 GLU H H 56 9.871 9.871 8.322 1.549 25477 703 1 4 . 1 1 57 57 GLU N N 57 120.962 120.962 118.399 2.563 25477 704 1 4 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.252 0.049 25477 705 1 4 . 1 1 57 57 GLU H H 57 8.337 8.337 8.148 0.189 25477 706 1 4 . 1 1 58 58 MET N N 58 114.871 114.871 118.013 -3.142 25477 707 1 4 . 1 1 58 58 MET HA H 58 4.270 4.270 4.216 0.054 25477 708 1 4 . 1 1 58 58 MET H H 58 9.289 9.289 8.381 0.908 25477 709 1 4 . 1 1 59 59 LYS N N 59 115.252 115.252 115.039 0.213 25477 710 1 4 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.997 0.194 25477 711 1 4 . 1 1 59 59 LYS H H 59 8.157 8.157 8.107 0.050 25477 712 1 4 . 1 1 60 60 LYS N N 60 118.225 118.225 117.464 0.761 25477 713 1 4 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.564 -0.699 25477 714 1 4 . 1 1 60 60 LYS H H 60 8.245 8.245 7.485 0.760 25477 715 1 4 . 1 1 61 61 GLY N N 61 102.395 102.395 109.322 -6.927 25477 716 1 4 . 1 1 61 61 GLY H H 61 6.115 6.115 8.272 -2.157 25477 717 1 4 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.726 -0.212 25477 718 1 4 . 1 1 63 63 THR N N 63 111.336 111.336 109.329 2.007 25477 719 1 4 . 1 1 63 63 THR HA H 63 4.951 4.951 4.499 0.452 25477 720 1 4 . 1 1 63 63 THR H H 63 8.757 8.757 8.005 0.752 25477 721 1 4 . 1 1 64 64 LYS N N 64 123.633 123.633 122.744 0.889 25477 722 1 4 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.439 -0.438 25477 723 1 4 . 1 1 64 64 LYS H H 64 8.034 8.034 7.698 0.336 25477 724 1 4 . 1 1 65 65 CYS N N 65 116.426 116.426 121.905 -5.479 25477 725 1 4 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.499 -5.884 25477 726 1 4 . 1 1 65 65 CYS H H 65 6.648 6.648 8.868 -2.220 25477 727 1 4 . 1 1 66 66 GLY N N 66 102.751 102.751 107.427 -4.676 25477 728 1 4 . 1 1 66 66 GLY H H 66 8.344 8.344 8.763 -0.419 25477 729 1 4 . 1 1 67 67 GLU N N 67 115.893 115.893 119.049 -3.156 25477 730 1 4 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.366 -0.225 25477 731 1 4 . 1 1 67 67 GLU H H 67 6.998 6.998 7.540 -0.542 25477 732 1 4 . 1 1 68 68 CYS N N 68 113.306 113.306 116.851 -3.545 25477 733 1 4 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.407 1.135 25477 734 1 4 . 1 1 68 68 CYS H H 68 6.644 6.644 7.555 -0.911 25477 735 1 4 . 1 1 69 69 HIS N N 69 121.421 121.421 118.743 2.678 25477 736 1 4 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.437 5.077 25477 737 1 4 . 1 1 69 69 HIS H H 69 11.614 11.614 8.782 2.832 25477 738 1 4 . 1 1 70 70 LYS N N 70 127.268 127.268 123.764 3.504 25477 739 1 4 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.685 1.149 25477 740 1 4 . 1 1 70 70 LYS H H 70 10.287 10.287 7.971 2.316 25477 741 1 5 . 1 1 2 2 ASP N N 2 124.367 124.367 119.641 4.726 25477 742 1 5 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.410 2.837 25477 743 1 5 . 1 1 2 2 ASP H H 2 10.343 10.343 8.659 1.684 25477 744 1 5 . 1 1 3 3 ASP N N 3 120.501 120.501 115.946 4.555 25477 745 1 5 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.965 2.314 25477 746 1 5 . 1 1 3 3 ASP H H 3 9.546 9.546 7.759 1.787 25477 747 1 5 . 1 1 4 4 ILE N N 4 123.994 123.994 122.818 1.176 25477 748 1 5 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.394 0.705 25477 749 1 5 . 1 1 4 4 ILE H H 4 10.258 10.258 8.915 1.343 25477 750 1 5 . 1 1 5 5 VAL N N 5 129.474 129.474 127.817 1.657 25477 751 1 5 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.610 0.322 25477 752 1 5 . 1 1 5 5 VAL H H 5 9.384 9.384 8.758 0.626 25477 753 1 5 . 1 1 6 6 LEU N N 6 132.431 132.431 129.683 2.748 25477 754 1 5 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.491 0.051 25477 755 1 5 . 1 1 6 6 LEU H H 6 9.655 9.655 8.153 1.502 25477 756 1 5 . 1 1 7 7 LYS N N 7 124.598 124.598 125.071 -0.473 25477 757 1 5 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.021 0.926 25477 758 1 5 . 1 1 7 7 LYS H H 7 8.556 8.556 7.607 0.949 25477 759 1 5 . 1 1 8 8 ALA N N 8 124.683 124.683 126.576 -1.893 25477 760 1 5 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.675 0.107 25477 761 1 5 . 1 1 8 8 ALA H H 8 10.136 10.136 8.120 2.016 25477 762 1 5 . 1 1 9 9 LYS N N 9 125.212 125.212 120.665 4.547 25477 763 1 5 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.318 0.019 25477 764 1 5 . 1 1 9 9 LYS H H 9 10.009 10.009 8.632 1.377 25477 765 1 5 . 1 1 10 10 ASN N N 10 114.864 114.864 117.293 -2.429 25477 766 1 5 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.823 0.284 25477 767 1 5 . 1 1 10 10 ASN H H 10 9.692 9.692 7.874 1.818 25477 768 1 5 . 1 1 11 11 GLY N N 11 113.592 113.592 109.670 3.922 25477 769 1 5 . 1 1 11 11 GLY H H 11 9.484 9.484 8.027 1.457 25477 770 1 5 . 1 1 12 12 ASP N N 12 133.500 133.500 121.818 11.682 25477 771 1 5 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.698 2.288 25477 772 1 5 . 1 1 12 12 ASP H H 12 10.354 10.354 8.537 1.817 25477 773 1 5 . 1 1 13 13 VAL N N 13 122.888 122.888 117.914 4.974 25477 774 1 5 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.818 1.946 25477 775 1 5 . 1 1 13 13 VAL H H 13 10.729 10.729 8.272 2.457 25477 776 1 5 . 1 1 14 14 LYS N N 14 130.045 130.045 128.841 1.204 25477 777 1 5 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.390 0.684 25477 778 1 5 . 1 1 14 14 LYS H H 14 9.987 9.987 8.370 1.617 25477 779 1 5 . 1 1 15 15 PHE N N 15 126.228 126.228 127.096 -0.868 25477 780 1 5 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.944 0.871 25477 781 1 5 . 1 1 15 15 PHE H H 15 9.869 9.869 8.222 1.647 25477 782 1 5 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.871 2.514 25477 783 1 5 . 1 1 17 17 HIS N N 17 138.291 138.291 126.279 12.012 25477 784 1 5 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.947 4.430 25477 785 1 5 . 1 1 17 17 HIS H H 17 11.607 11.607 8.381 3.226 25477 786 1 5 . 1 1 18 18 LYS N N 18 126.220 126.220 119.308 6.912 25477 787 1 5 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.032 3.415 25477 788 1 5 . 1 1 18 18 LYS H H 18 12.968 12.968 7.719 5.249 25477 789 1 5 . 1 1 19 19 ALA N N 19 124.418 124.418 120.741 3.677 25477 790 1 5 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.159 1.419 25477 791 1 5 . 1 1 19 19 ALA H H 19 10.987 10.987 8.171 2.816 25477 792 1 5 . 1 1 20 20 HIS N N 20 118.446 118.446 114.986 3.460 25477 793 1 5 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.533 3.391 25477 794 1 5 . 1 1 20 20 HIS H H 20 12.109 12.109 7.433 4.676 25477 795 1 5 . 1 1 21 21 GLN N N 21 121.637 121.637 116.997 4.640 25477 796 1 5 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.359 -0.603 25477 797 1 5 . 1 1 21 21 GLN H H 21 9.883 9.883 7.356 2.527 25477 798 1 5 . 1 1 22 22 LYS N N 22 117.108 117.108 120.136 -3.028 25477 799 1 5 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.293 0.155 25477 800 1 5 . 1 1 22 22 LYS H H 22 8.086 8.086 7.750 0.336 25477 801 1 5 . 1 1 23 23 ALA N N 23 119.728 119.728 120.554 -0.826 25477 802 1 5 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.514 -0.138 25477 803 1 5 . 1 1 23 23 ALA H H 23 8.047 8.047 8.149 -0.102 25477 804 1 5 . 1 1 24 24 VAL N N 24 118.949 118.949 119.017 -0.068 25477 805 1 5 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.558 -0.734 25477 806 1 5 . 1 1 24 24 VAL H H 24 8.394 8.394 7.301 1.093 25477 807 1 5 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.211 0.012 25477 808 1 5 . 1 1 26 26 ASP N N 26 118.341 118.341 116.169 2.172 25477 809 1 5 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.667 -0.268 25477 810 1 5 . 1 1 26 26 ASP H H 26 7.169 7.169 8.329 -1.160 25477 811 1 5 . 1 1 27 27 CYS N N 27 124.578 124.578 119.171 5.407 25477 812 1 5 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.011 -1.965 25477 813 1 5 . 1 1 27 27 CYS H H 27 7.468 7.468 8.176 -0.708 25477 814 1 5 . 1 1 28 28 LYS N N 28 115.097 115.097 119.429 -4.332 25477 815 1 5 . 1 1 28 28 LYS HA H 28 5.514 5.514 3.873 1.641 25477 816 1 5 . 1 1 28 28 LYS H H 28 8.329 8.329 8.683 -0.354 25477 817 1 5 . 1 1 29 29 LYS N N 29 118.552 118.552 117.289 1.263 25477 818 1 5 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.412 -0.625 25477 819 1 5 . 1 1 29 29 LYS H H 29 7.449 7.449 8.140 -0.691 25477 820 1 5 . 1 1 30 30 CYS N N 30 111.091 111.091 114.078 -2.987 25477 821 1 5 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.519 -0.120 25477 822 1 5 . 1 1 30 30 CYS H H 30 6.636 6.636 7.659 -1.023 25477 823 1 5 . 1 1 31 31 HIS N N 31 122.497 122.497 121.849 0.648 25477 824 1 5 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.677 5.554 25477 825 1 5 . 1 1 31 31 HIS H H 31 11.948 11.948 8.529 3.419 25477 826 1 5 . 1 1 32 32 GLU N N 32 128.508 128.508 122.801 5.707 25477 827 1 5 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.164 0.983 25477 828 1 5 . 1 1 32 32 GLU H H 32 10.401 10.401 8.287 2.114 25477 829 1 5 . 1 1 33 33 LYS N N 33 117.199 117.199 120.072 -2.873 25477 830 1 5 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.357 0.947 25477 831 1 5 . 1 1 33 33 LYS H H 33 10.277 10.277 8.715 1.562 25477 832 1 5 . 1 1 34 34 GLY N N 34 109.000 109.000 108.779 0.221 25477 833 1 5 . 1 1 34 34 GLY H H 34 8.997 8.997 8.062 0.935 25477 834 1 5 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.819 2.418 25477 835 1 5 . 1 1 37 37 LYS N N 37 118.406 118.406 118.948 -0.542 25477 836 1 5 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.062 -1.256 25477 837 1 5 . 1 1 37 37 LYS H H 37 7.501 7.501 8.064 -0.563 25477 838 1 5 . 1 1 38 38 ILE N N 38 128.016 128.016 124.995 3.021 25477 839 1 5 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.212 1.113 25477 840 1 5 . 1 1 38 38 ILE H H 38 9.561 9.561 8.385 1.176 25477 841 1 5 . 1 1 39 39 GLU N N 39 131.257 131.257 127.575 3.682 25477 842 1 5 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.354 -0.306 25477 843 1 5 . 1 1 39 39 GLU H H 39 9.317 9.317 8.665 0.652 25477 844 1 5 . 1 1 40 40 GLY N N 40 112.897 112.897 112.042 0.855 25477 845 1 5 . 1 1 40 40 GLY H H 40 8.977 8.977 8.799 0.178 25477 846 1 5 . 1 1 41 41 PHE N N 41 121.371 121.371 123.750 -2.379 25477 847 1 5 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.125 -0.584 25477 848 1 5 . 1 1 41 41 PHE H H 41 7.595 7.595 7.721 -0.126 25477 849 1 5 . 1 1 42 42 GLY H H 42 4.698 4.698 7.686 -2.988 25477 850 1 5 . 1 1 43 43 LYS N N 43 121.161 121.161 119.760 1.401 25477 851 1 5 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.042 -4.160 25477 852 1 5 . 1 1 43 43 LYS H H 43 7.221 7.221 8.605 -1.384 25477 853 1 5 . 1 1 44 44 GLU N N 44 117.347 117.347 117.078 0.269 25477 854 1 5 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.201 1.927 25477 855 1 5 . 1 1 44 44 GLU H H 44 8.811 8.811 8.182 0.629 25477 856 1 5 . 1 1 45 45 MET N N 45 119.032 119.032 118.832 0.200 25477 857 1 5 . 1 1 45 45 MET HA H 45 4.195 4.195 4.092 0.103 25477 858 1 5 . 1 1 45 45 MET H H 45 8.202 8.202 7.489 0.713 25477 859 1 5 . 1 1 46 46 ALA N N 46 120.454 120.454 120.152 0.302 25477 860 1 5 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.462 -1.734 25477 861 1 5 . 1 1 46 46 ALA H H 46 7.585 7.585 8.043 -0.458 25477 862 1 5 . 1 1 47 47 HIS N N 47 118.598 118.598 115.552 3.046 25477 863 1 5 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.341 3.933 25477 864 1 5 . 1 1 47 47 HIS H H 47 11.691 11.691 7.645 4.046 25477 865 1 5 . 1 1 48 48 GLY N N 48 112.155 112.155 108.164 3.991 25477 866 1 5 . 1 1 48 48 GLY H H 48 8.572 8.572 7.867 0.705 25477 867 1 5 . 1 1 49 49 LYS N N 49 126.044 126.044 119.774 6.270 25477 868 1 5 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.400 -1.083 25477 869 1 5 . 1 1 49 49 LYS H H 49 9.177 9.177 8.007 1.170 25477 870 1 5 . 1 1 50 50 GLY N N 50 104.401 104.401 106.153 -1.752 25477 871 1 5 . 1 1 50 50 GLY H H 50 7.684 7.684 7.825 -0.141 25477 872 1 5 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.270 -6.189 25477 873 1 5 . 1 1 51 51 CYS H H 51 4.993 4.993 7.909 -2.916 25477 874 1 5 . 1 1 52 52 LYS N N 52 121.643 121.643 121.528 0.115 25477 875 1 5 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.808 0.737 25477 876 1 5 . 1 1 52 52 LYS H H 52 7.729 7.729 7.841 -0.112 25477 877 1 5 . 1 1 53 53 GLY N N 53 104.830 104.830 109.198 -4.368 25477 878 1 5 . 1 1 53 53 GLY H H 53 9.306 9.306 8.160 1.146 25477 879 1 5 . 1 1 54 54 CYS N N 54 118.874 118.874 121.686 -2.812 25477 880 1 5 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.929 0.486 25477 881 1 5 . 1 1 54 54 CYS H H 54 6.172 6.172 8.089 -1.917 25477 882 1 5 . 1 1 55 55 HIS N N 55 119.047 119.047 119.174 -0.127 25477 883 1 5 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.390 4.167 25477 884 1 5 . 1 1 55 55 HIS H H 55 10.083 10.083 8.049 2.034 25477 885 1 5 . 1 1 56 56 GLU N N 56 119.125 119.125 118.020 1.105 25477 886 1 5 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.071 0.709 25477 887 1 5 . 1 1 56 56 GLU H H 56 9.871 9.871 8.027 1.844 25477 888 1 5 . 1 1 57 57 GLU N N 57 120.962 120.962 117.581 3.381 25477 889 1 5 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.320 -0.019 25477 890 1 5 . 1 1 57 57 GLU H H 57 8.337 8.337 8.162 0.175 25477 891 1 5 . 1 1 58 58 MET N N 58 114.871 114.871 117.404 -2.533 25477 892 1 5 . 1 1 58 58 MET HA H 58 4.270 4.270 4.242 0.028 25477 893 1 5 . 1 1 58 58 MET H H 58 9.289 9.289 8.383 0.906 25477 894 1 5 . 1 1 59 59 LYS N N 59 115.252 115.252 113.883 1.369 25477 895 1 5 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.967 0.224 25477 896 1 5 . 1 1 59 59 LYS H H 59 8.157 8.157 8.044 0.113 25477 897 1 5 . 1 1 60 60 LYS N N 60 118.225 118.225 117.564 0.661 25477 898 1 5 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.563 -0.698 25477 899 1 5 . 1 1 60 60 LYS H H 60 8.245 8.245 7.547 0.698 25477 900 1 5 . 1 1 61 61 GLY N N 61 102.395 102.395 109.199 -6.804 25477 901 1 5 . 1 1 61 61 GLY H H 61 6.115 6.115 8.275 -2.160 25477 902 1 5 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.692 -0.178 25477 903 1 5 . 1 1 63 63 THR N N 63 111.336 111.336 111.785 -0.449 25477 904 1 5 . 1 1 63 63 THR HA H 63 4.951 4.951 4.427 0.524 25477 905 1 5 . 1 1 63 63 THR H H 63 8.757 8.757 8.105 0.652 25477 906 1 5 . 1 1 64 64 LYS N N 64 123.633 123.633 122.015 1.618 25477 907 1 5 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.265 -0.264 25477 908 1 5 . 1 1 64 64 LYS H H 64 8.034 8.034 7.809 0.225 25477 909 1 5 . 1 1 65 65 CYS N N 65 116.426 116.426 122.616 -6.190 25477 910 1 5 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.383 -5.768 25477 911 1 5 . 1 1 65 65 CYS H H 65 6.648 6.648 8.816 -2.168 25477 912 1 5 . 1 1 66 66 GLY N N 66 102.751 102.751 108.434 -5.683 25477 913 1 5 . 1 1 66 66 GLY H H 66 8.344 8.344 8.765 -0.421 25477 914 1 5 . 1 1 67 67 GLU N N 67 115.893 115.893 118.867 -2.974 25477 915 1 5 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.392 -0.251 25477 916 1 5 . 1 1 67 67 GLU H H 67 6.998 6.998 8.329 -1.331 25477 917 1 5 . 1 1 68 68 CYS N N 68 113.306 113.306 117.027 -3.721 25477 918 1 5 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.461 1.081 25477 919 1 5 . 1 1 68 68 CYS H H 68 6.644 6.644 8.323 -1.679 25477 920 1 5 . 1 1 69 69 HIS N N 69 121.421 121.421 118.113 3.308 25477 921 1 5 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.422 5.092 25477 922 1 5 . 1 1 69 69 HIS H H 69 11.614 11.614 8.731 2.883 25477 923 1 5 . 1 1 70 70 LYS N N 70 127.268 127.268 121.413 5.855 25477 924 1 5 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.693 1.141 25477 925 1 5 . 1 1 70 70 LYS H H 70 10.287 10.287 8.193 2.094 25477 926 1 6 . 1 1 2 2 ASP N N 2 124.367 124.367 117.840 6.527 25477 927 1 6 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.712 2.535 25477 928 1 6 . 1 1 2 2 ASP H H 2 10.343 10.343 8.271 2.072 25477 929 1 6 . 1 1 3 3 ASP N N 3 120.501 120.501 121.204 -0.703 25477 930 1 6 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.967 2.312 25477 931 1 6 . 1 1 3 3 ASP H H 3 9.546 9.546 8.127 1.419 25477 932 1 6 . 1 1 4 4 ILE N N 4 123.994 123.994 127.411 -3.417 25477 933 1 6 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.328 0.771 25477 934 1 6 . 1 1 4 4 ILE H H 4 10.258 10.258 8.684 1.574 25477 935 1 6 . 1 1 5 5 VAL N N 5 129.474 129.474 127.880 1.594 25477 936 1 6 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.583 0.349 25477 937 1 6 . 1 1 5 5 VAL H H 5 9.384 9.384 8.692 0.692 25477 938 1 6 . 1 1 6 6 LEU N N 6 132.431 132.431 129.834 2.597 25477 939 1 6 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.424 0.118 25477 940 1 6 . 1 1 6 6 LEU H H 6 9.655 9.655 8.150 1.505 25477 941 1 6 . 1 1 7 7 LYS N N 7 124.598 124.598 123.668 0.930 25477 942 1 6 . 1 1 7 7 LYS HA H 7 4.947 4.947 3.982 0.965 25477 943 1 6 . 1 1 7 7 LYS H H 7 8.556 8.556 8.139 0.417 25477 944 1 6 . 1 1 8 8 ALA N N 8 124.683 124.683 127.083 -2.400 25477 945 1 6 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.652 0.130 25477 946 1 6 . 1 1 8 8 ALA H H 8 10.136 10.136 8.467 1.669 25477 947 1 6 . 1 1 9 9 LYS N N 9 125.212 125.212 121.642 3.570 25477 948 1 6 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.232 0.105 25477 949 1 6 . 1 1 9 9 LYS H H 9 10.009 10.009 8.631 1.378 25477 950 1 6 . 1 1 10 10 ASN N N 10 114.864 114.864 117.341 -2.477 25477 951 1 6 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.776 0.331 25477 952 1 6 . 1 1 10 10 ASN H H 10 9.692 9.692 7.787 1.905 25477 953 1 6 . 1 1 11 11 GLY N N 11 113.592 113.592 110.346 3.246 25477 954 1 6 . 1 1 11 11 GLY H H 11 9.484 9.484 8.072 1.412 25477 955 1 6 . 1 1 12 12 ASP N N 12 133.500 133.500 122.941 10.559 25477 956 1 6 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.768 2.218 25477 957 1 6 . 1 1 12 12 ASP H H 12 10.354 10.354 8.180 2.174 25477 958 1 6 . 1 1 13 13 VAL N N 13 122.888 122.888 118.222 4.666 25477 959 1 6 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.990 1.774 25477 960 1 6 . 1 1 13 13 VAL H H 13 10.729 10.729 8.236 2.493 25477 961 1 6 . 1 1 14 14 LYS N N 14 130.045 130.045 125.737 4.308 25477 962 1 6 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.661 0.413 25477 963 1 6 . 1 1 14 14 LYS H H 14 9.987 9.987 8.360 1.627 25477 964 1 6 . 1 1 15 15 PHE N N 15 126.228 126.228 126.008 0.220 25477 965 1 6 . 1 1 15 15 PHE HA H 15 5.815 5.815 5.004 0.811 25477 966 1 6 . 1 1 15 15 PHE H H 15 9.869 9.869 8.018 1.851 25477 967 1 6 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.718 2.667 25477 968 1 6 . 1 1 17 17 HIS N N 17 138.291 138.291 126.783 11.508 25477 969 1 6 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.639 4.738 25477 970 1 6 . 1 1 17 17 HIS H H 17 11.607 11.607 8.034 3.573 25477 971 1 6 . 1 1 18 18 LYS N N 18 126.220 126.220 120.312 5.908 25477 972 1 6 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.218 3.229 25477 973 1 6 . 1 1 18 18 LYS H H 18 12.968 12.968 7.778 5.190 25477 974 1 6 . 1 1 19 19 ALA N N 19 124.418 124.418 121.024 3.394 25477 975 1 6 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.141 1.437 25477 976 1 6 . 1 1 19 19 ALA H H 19 10.987 10.987 8.425 2.562 25477 977 1 6 . 1 1 20 20 HIS N N 20 118.446 118.446 115.143 3.303 25477 978 1 6 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.563 3.361 25477 979 1 6 . 1 1 20 20 HIS H H 20 12.109 12.109 8.118 3.991 25477 980 1 6 . 1 1 21 21 GLN N N 21 121.637 121.637 118.326 3.311 25477 981 1 6 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.285 -0.529 25477 982 1 6 . 1 1 21 21 GLN H H 21 9.883 9.883 7.647 2.236 25477 983 1 6 . 1 1 22 22 LYS N N 22 117.108 117.108 117.340 -0.232 25477 984 1 6 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.412 0.036 25477 985 1 6 . 1 1 22 22 LYS H H 22 8.086 8.086 7.644 0.442 25477 986 1 6 . 1 1 23 23 ALA N N 23 119.728 119.728 121.651 -1.923 25477 987 1 6 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.455 -0.079 25477 988 1 6 . 1 1 23 23 ALA H H 23 8.047 8.047 7.976 0.071 25477 989 1 6 . 1 1 24 24 VAL N N 24 118.949 118.949 119.914 -0.965 25477 990 1 6 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.426 -0.602 25477 991 1 6 . 1 1 24 24 VAL H H 24 8.394 8.394 7.665 0.729 25477 992 1 6 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.202 0.021 25477 993 1 6 . 1 1 26 26 ASP N N 26 118.341 118.341 117.191 1.150 25477 994 1 6 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.770 -0.371 25477 995 1 6 . 1 1 26 26 ASP H H 26 7.169 7.169 7.939 -0.770 25477 996 1 6 . 1 1 27 27 CYS N N 27 124.578 124.578 123.365 1.213 25477 997 1 6 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.098 -2.052 25477 998 1 6 . 1 1 27 27 CYS H H 27 7.468 7.468 8.422 -0.954 25477 999 1 6 . 1 1 28 28 LYS N N 28 115.097 115.097 119.835 -4.738 25477 1000 1 6 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.128 1.386 25477 1001 1 6 . 1 1 28 28 LYS H H 28 8.329 8.329 8.153 0.176 25477 1002 1 6 . 1 1 29 29 LYS N N 29 118.552 118.552 118.838 -0.286 25477 1003 1 6 . 1 1 29 29 LYS HA H 29 3.787 3.787 3.987 -0.200 25477 1004 1 6 . 1 1 29 29 LYS H H 29 7.449 7.449 8.289 -0.840 25477 1005 1 6 . 1 1 30 30 CYS N N 30 111.091 111.091 113.552 -2.461 25477 1006 1 6 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.392 0.007 25477 1007 1 6 . 1 1 30 30 CYS H H 30 6.636 6.636 7.726 -1.090 25477 1008 1 6 . 1 1 31 31 HIS N N 31 122.497 122.497 119.156 3.341 25477 1009 1 6 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.797 5.434 25477 1010 1 6 . 1 1 31 31 HIS H H 31 11.948 11.948 7.761 4.187 25477 1011 1 6 . 1 1 32 32 GLU N N 32 128.508 128.508 122.849 5.659 25477 1012 1 6 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.275 0.872 25477 1013 1 6 . 1 1 32 32 GLU H H 32 10.401 10.401 8.226 2.175 25477 1014 1 6 . 1 1 33 33 LYS N N 33 117.199 117.199 119.534 -2.335 25477 1015 1 6 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.354 0.950 25477 1016 1 6 . 1 1 33 33 LYS H H 33 10.277 10.277 8.724 1.553 25477 1017 1 6 . 1 1 34 34 GLY N N 34 109.000 109.000 109.239 -0.239 25477 1018 1 6 . 1 1 34 34 GLY H H 34 8.997 8.997 7.858 1.139 25477 1019 1 6 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.676 2.561 25477 1020 1 6 . 1 1 37 37 LYS N N 37 118.406 118.406 118.764 -0.358 25477 1021 1 6 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.025 -1.219 25477 1022 1 6 . 1 1 37 37 LYS H H 37 7.501 7.501 8.167 -0.666 25477 1023 1 6 . 1 1 38 38 ILE N N 38 128.016 128.016 126.962 1.054 25477 1024 1 6 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.233 1.092 25477 1025 1 6 . 1 1 38 38 ILE H H 38 9.561 9.561 8.516 1.045 25477 1026 1 6 . 1 1 39 39 GLU N N 39 131.257 131.257 125.743 5.514 25477 1027 1 6 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.016 0.032 25477 1028 1 6 . 1 1 39 39 GLU H H 39 9.317 9.317 8.667 0.650 25477 1029 1 6 . 1 1 40 40 GLY N N 40 112.897 112.897 108.704 4.193 25477 1030 1 6 . 1 1 40 40 GLY H H 40 8.977 8.977 8.305 0.672 25477 1031 1 6 . 1 1 41 41 PHE N N 41 121.371 121.371 124.561 -3.190 25477 1032 1 6 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.214 -0.673 25477 1033 1 6 . 1 1 41 41 PHE H H 41 7.595 7.595 7.747 -0.152 25477 1034 1 6 . 1 1 42 42 GLY H H 42 4.698 4.698 7.301 -2.603 25477 1035 1 6 . 1 1 43 43 LYS N N 43 121.161 121.161 121.153 0.008 25477 1036 1 6 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 3.950 -4.068 25477 1037 1 6 . 1 1 43 43 LYS H H 43 7.221 7.221 8.565 -1.344 25477 1038 1 6 . 1 1 44 44 GLU N N 44 117.347 117.347 117.962 -0.615 25477 1039 1 6 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.017 2.111 25477 1040 1 6 . 1 1 44 44 GLU H H 44 8.811 8.811 8.781 0.030 25477 1041 1 6 . 1 1 45 45 MET N N 45 119.032 119.032 117.847 1.185 25477 1042 1 6 . 1 1 45 45 MET HA H 45 4.195 4.195 4.079 0.116 25477 1043 1 6 . 1 1 45 45 MET H H 45 8.202 8.202 7.072 1.130 25477 1044 1 6 . 1 1 46 46 ALA N N 46 120.454 120.454 121.801 -1.347 25477 1045 1 6 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.770 -2.042 25477 1046 1 6 . 1 1 46 46 ALA H H 46 7.585 7.585 7.434 0.151 25477 1047 1 6 . 1 1 47 47 HIS N N 47 118.598 118.598 115.652 2.946 25477 1048 1 6 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.221 4.053 25477 1049 1 6 . 1 1 47 47 HIS H H 47 11.691 11.691 7.619 4.072 25477 1050 1 6 . 1 1 48 48 GLY N N 48 112.155 112.155 106.793 5.362 25477 1051 1 6 . 1 1 48 48 GLY H H 48 8.572 8.572 7.257 1.315 25477 1052 1 6 . 1 1 49 49 LYS N N 49 126.044 126.044 120.447 5.597 25477 1053 1 6 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.334 -1.017 25477 1054 1 6 . 1 1 49 49 LYS H H 49 9.177 9.177 8.363 0.814 25477 1055 1 6 . 1 1 50 50 GLY N N 50 104.401 104.401 105.555 -1.154 25477 1056 1 6 . 1 1 50 50 GLY H H 50 7.684 7.684 7.451 0.233 25477 1057 1 6 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.104 -6.023 25477 1058 1 6 . 1 1 51 51 CYS H H 51 4.993 4.993 8.113 -3.120 25477 1059 1 6 . 1 1 52 52 LYS N N 52 121.643 121.643 122.402 -0.759 25477 1060 1 6 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.483 1.062 25477 1061 1 6 . 1 1 52 52 LYS H H 52 7.729 7.729 8.031 -0.302 25477 1062 1 6 . 1 1 53 53 GLY N N 53 104.830 104.830 108.516 -3.686 25477 1063 1 6 . 1 1 53 53 GLY H H 53 9.306 9.306 8.713 0.593 25477 1064 1 6 . 1 1 54 54 CYS N N 54 118.874 118.874 121.252 -2.378 25477 1065 1 6 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.964 0.451 25477 1066 1 6 . 1 1 54 54 CYS H H 54 6.172 6.172 8.275 -2.103 25477 1067 1 6 . 1 1 55 55 HIS N N 55 119.047 119.047 118.618 0.429 25477 1068 1 6 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.431 4.126 25477 1069 1 6 . 1 1 55 55 HIS H H 55 10.083 10.083 7.813 2.270 25477 1070 1 6 . 1 1 56 56 GLU N N 56 119.125 119.125 117.953 1.172 25477 1071 1 6 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.118 0.662 25477 1072 1 6 . 1 1 56 56 GLU H H 56 9.871 9.871 8.342 1.529 25477 1073 1 6 . 1 1 57 57 GLU N N 57 120.962 120.962 118.827 2.135 25477 1074 1 6 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.295 0.006 25477 1075 1 6 . 1 1 57 57 GLU H H 57 8.337 8.337 8.151 0.186 25477 1076 1 6 . 1 1 58 58 MET N N 58 114.871 114.871 118.238 -3.367 25477 1077 1 6 . 1 1 58 58 MET HA H 58 4.270 4.270 4.240 0.030 25477 1078 1 6 . 1 1 58 58 MET H H 58 9.289 9.289 8.528 0.761 25477 1079 1 6 . 1 1 59 59 LYS N N 59 115.252 115.252 114.359 0.893 25477 1080 1 6 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.030 0.161 25477 1081 1 6 . 1 1 59 59 LYS H H 59 8.157 8.157 8.015 0.142 25477 1082 1 6 . 1 1 60 60 LYS N N 60 118.225 118.225 117.538 0.687 25477 1083 1 6 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.558 -0.693 25477 1084 1 6 . 1 1 60 60 LYS H H 60 8.245 8.245 7.501 0.744 25477 1085 1 6 . 1 1 61 61 GLY N N 61 102.395 102.395 109.356 -6.961 25477 1086 1 6 . 1 1 61 61 GLY H H 61 6.115 6.115 8.269 -2.154 25477 1087 1 6 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.796 -0.282 25477 1088 1 6 . 1 1 63 63 THR N N 63 111.336 111.336 109.684 1.652 25477 1089 1 6 . 1 1 63 63 THR HA H 63 4.951 4.951 4.485 0.466 25477 1090 1 6 . 1 1 63 63 THR H H 63 8.757 8.757 8.303 0.454 25477 1091 1 6 . 1 1 64 64 LYS N N 64 123.633 123.633 122.446 1.187 25477 1092 1 6 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.238 -0.237 25477 1093 1 6 . 1 1 64 64 LYS H H 64 8.034 8.034 7.830 0.204 25477 1094 1 6 . 1 1 65 65 CYS N N 65 116.426 116.426 119.809 -3.383 25477 1095 1 6 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.421 -5.806 25477 1096 1 6 . 1 1 65 65 CYS H H 65 6.648 6.648 8.787 -2.139 25477 1097 1 6 . 1 1 66 66 GLY N N 66 102.751 102.751 109.352 -6.601 25477 1098 1 6 . 1 1 66 66 GLY H H 66 8.344 8.344 8.664 -0.320 25477 1099 1 6 . 1 1 67 67 GLU N N 67 115.893 115.893 118.820 -2.927 25477 1100 1 6 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.418 -0.277 25477 1101 1 6 . 1 1 67 67 GLU H H 67 6.998 6.998 8.341 -1.343 25477 1102 1 6 . 1 1 68 68 CYS N N 68 113.306 113.306 116.931 -3.625 25477 1103 1 6 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.486 1.056 25477 1104 1 6 . 1 1 68 68 CYS H H 68 6.644 6.644 8.529 -1.885 25477 1105 1 6 . 1 1 69 69 HIS N N 69 121.421 121.421 119.749 1.672 25477 1106 1 6 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.535 4.979 25477 1107 1 6 . 1 1 69 69 HIS H H 69 11.614 11.614 8.752 2.862 25477 1108 1 6 . 1 1 70 70 LYS N N 70 127.268 127.268 123.870 3.398 25477 1109 1 6 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.773 1.061 25477 1110 1 6 . 1 1 70 70 LYS H H 70 10.287 10.287 8.239 2.048 25477 1111 1 7 . 1 1 2 2 ASP N N 2 124.367 124.367 119.187 5.180 25477 1112 1 7 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.416 2.831 25477 1113 1 7 . 1 1 2 2 ASP H H 2 10.343 10.343 8.333 2.010 25477 1114 1 7 . 1 1 3 3 ASP N N 3 120.501 120.501 119.182 1.319 25477 1115 1 7 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.891 2.388 25477 1116 1 7 . 1 1 3 3 ASP H H 3 9.546 9.546 7.991 1.555 25477 1117 1 7 . 1 1 4 4 ILE N N 4 123.994 123.994 126.803 -2.809 25477 1118 1 7 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.354 0.745 25477 1119 1 7 . 1 1 4 4 ILE H H 4 10.258 10.258 9.101 1.157 25477 1120 1 7 . 1 1 5 5 VAL N N 5 129.474 129.474 127.989 1.485 25477 1121 1 7 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.550 0.382 25477 1122 1 7 . 1 1 5 5 VAL H H 5 9.384 9.384 8.726 0.658 25477 1123 1 7 . 1 1 6 6 LEU N N 6 132.431 132.431 129.820 2.611 25477 1124 1 7 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.471 0.071 25477 1125 1 7 . 1 1 6 6 LEU H H 6 9.655 9.655 8.094 1.561 25477 1126 1 7 . 1 1 7 7 LYS N N 7 124.598 124.598 123.800 0.798 25477 1127 1 7 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.043 0.904 25477 1128 1 7 . 1 1 7 7 LYS H H 7 8.556 8.556 7.799 0.757 25477 1129 1 7 . 1 1 8 8 ALA N N 8 124.683 124.683 126.111 -1.428 25477 1130 1 7 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.606 0.175 25477 1131 1 7 . 1 1 8 8 ALA H H 8 10.136 10.136 7.970 2.166 25477 1132 1 7 . 1 1 9 9 LYS N N 9 125.212 125.212 121.217 3.995 25477 1133 1 7 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.304 0.033 25477 1134 1 7 . 1 1 9 9 LYS H H 9 10.009 10.009 8.426 1.583 25477 1135 1 7 . 1 1 10 10 ASN N N 10 114.864 114.864 116.935 -2.071 25477 1136 1 7 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.686 0.421 25477 1137 1 7 . 1 1 10 10 ASN H H 10 9.692 9.692 7.629 2.063 25477 1138 1 7 . 1 1 11 11 GLY N N 11 113.592 113.592 109.067 4.525 25477 1139 1 7 . 1 1 11 11 GLY H H 11 9.484 9.484 7.991 1.493 25477 1140 1 7 . 1 1 12 12 ASP N N 12 133.500 133.500 121.744 11.756 25477 1141 1 7 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.724 2.262 25477 1142 1 7 . 1 1 12 12 ASP H H 12 10.354 10.354 8.531 1.823 25477 1143 1 7 . 1 1 13 13 VAL N N 13 122.888 122.888 117.643 5.245 25477 1144 1 7 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.906 1.858 25477 1145 1 7 . 1 1 13 13 VAL H H 13 10.729 10.729 8.107 2.622 25477 1146 1 7 . 1 1 14 14 LYS N N 14 130.045 130.045 125.481 4.564 25477 1147 1 7 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.718 0.356 25477 1148 1 7 . 1 1 14 14 LYS H H 14 9.987 9.987 8.325 1.662 25477 1149 1 7 . 1 1 15 15 PHE N N 15 126.228 126.228 125.450 0.778 25477 1150 1 7 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.995 0.820 25477 1151 1 7 . 1 1 15 15 PHE H H 15 9.869 9.869 8.163 1.706 25477 1152 1 7 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.651 2.734 25477 1153 1 7 . 1 1 17 17 HIS N N 17 138.291 138.291 126.743 11.548 25477 1154 1 7 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.920 4.457 25477 1155 1 7 . 1 1 17 17 HIS H H 17 11.607 11.607 8.824 2.783 25477 1156 1 7 . 1 1 18 18 LYS N N 18 126.220 126.220 119.765 6.455 25477 1157 1 7 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.028 3.419 25477 1158 1 7 . 1 1 18 18 LYS H H 18 12.968 12.968 7.831 5.137 25477 1159 1 7 . 1 1 19 19 ALA N N 19 124.418 124.418 121.013 3.405 25477 1160 1 7 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.212 1.366 25477 1161 1 7 . 1 1 19 19 ALA H H 19 10.987 10.987 8.254 2.733 25477 1162 1 7 . 1 1 20 20 HIS N N 20 118.446 118.446 116.368 2.078 25477 1163 1 7 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.495 3.429 25477 1164 1 7 . 1 1 20 20 HIS H H 20 12.109 12.109 8.064 4.045 25477 1165 1 7 . 1 1 21 21 GLN N N 21 121.637 121.637 116.077 5.560 25477 1166 1 7 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.354 -0.598 25477 1167 1 7 . 1 1 21 21 GLN H H 21 9.883 9.883 7.688 2.195 25477 1168 1 7 . 1 1 22 22 LYS N N 22 117.108 117.108 118.856 -1.748 25477 1169 1 7 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.428 0.020 25477 1170 1 7 . 1 1 22 22 LYS H H 22 8.086 8.086 7.496 0.590 25477 1171 1 7 . 1 1 23 23 ALA N N 23 119.728 119.728 121.640 -1.912 25477 1172 1 7 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.514 -0.138 25477 1173 1 7 . 1 1 23 23 ALA H H 23 8.047 8.047 8.056 -0.009 25477 1174 1 7 . 1 1 24 24 VAL N N 24 118.949 118.949 119.330 -0.381 25477 1175 1 7 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.453 -0.629 25477 1176 1 7 . 1 1 24 24 VAL H H 24 8.394 8.394 7.670 0.724 25477 1177 1 7 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.191 0.032 25477 1178 1 7 . 1 1 26 26 ASP N N 26 118.341 118.341 117.170 1.171 25477 1179 1 7 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.616 -0.217 25477 1180 1 7 . 1 1 26 26 ASP H H 26 7.169 7.169 7.855 -0.686 25477 1181 1 7 . 1 1 27 27 CYS N N 27 124.578 124.578 124.822 -0.244 25477 1182 1 7 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.296 -2.250 25477 1183 1 7 . 1 1 27 27 CYS H H 27 7.468 7.468 8.682 -1.214 25477 1184 1 7 . 1 1 28 28 LYS N N 28 115.097 115.097 116.523 -1.426 25477 1185 1 7 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.023 1.491 25477 1186 1 7 . 1 1 28 28 LYS H H 28 8.329 8.329 8.678 -0.349 25477 1187 1 7 . 1 1 29 29 LYS N N 29 118.552 118.552 118.911 -0.359 25477 1188 1 7 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.165 -0.378 25477 1189 1 7 . 1 1 29 29 LYS H H 29 7.449 7.449 8.256 -0.807 25477 1190 1 7 . 1 1 30 30 CYS N N 30 111.091 111.091 116.108 -5.017 25477 1191 1 7 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.541 -0.142 25477 1192 1 7 . 1 1 30 30 CYS H H 30 6.636 6.636 8.334 -1.698 25477 1193 1 7 . 1 1 31 31 HIS N N 31 122.497 122.497 118.390 4.107 25477 1194 1 7 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.406 5.825 25477 1195 1 7 . 1 1 31 31 HIS H H 31 11.948 11.948 8.322 3.626 25477 1196 1 7 . 1 1 32 32 GLU N N 32 128.508 128.508 116.323 12.185 25477 1197 1 7 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.211 0.936 25477 1198 1 7 . 1 1 32 32 GLU H H 32 10.401 10.401 8.520 1.881 25477 1199 1 7 . 1 1 33 33 LYS N N 33 117.199 117.199 118.015 -0.816 25477 1200 1 7 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.472 0.832 25477 1201 1 7 . 1 1 33 33 LYS H H 33 10.277 10.277 7.735 2.542 25477 1202 1 7 . 1 1 34 34 GLY N N 34 109.000 109.000 109.814 -0.814 25477 1203 1 7 . 1 1 34 34 GLY H H 34 8.997 8.997 8.037 0.960 25477 1204 1 7 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.927 2.310 25477 1205 1 7 . 1 1 37 37 LYS N N 37 118.406 118.406 119.902 -1.496 25477 1206 1 7 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.260 -1.454 25477 1207 1 7 . 1 1 37 37 LYS H H 37 7.501 7.501 8.180 -0.679 25477 1208 1 7 . 1 1 38 38 ILE N N 38 128.016 128.016 123.123 4.893 25477 1209 1 7 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.297 1.028 25477 1210 1 7 . 1 1 38 38 ILE H H 38 9.561 9.561 8.301 1.260 25477 1211 1 7 . 1 1 39 39 GLU N N 39 131.257 131.257 126.180 5.077 25477 1212 1 7 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.084 -0.036 25477 1213 1 7 . 1 1 39 39 GLU H H 39 9.317 9.317 8.846 0.471 25477 1214 1 7 . 1 1 40 40 GLY N N 40 112.897 112.897 112.038 0.859 25477 1215 1 7 . 1 1 40 40 GLY H H 40 8.977 8.977 8.642 0.335 25477 1216 1 7 . 1 1 41 41 PHE N N 41 121.371 121.371 125.391 -4.020 25477 1217 1 7 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.210 -0.669 25477 1218 1 7 . 1 1 41 41 PHE H H 41 7.595 7.595 7.877 -0.282 25477 1219 1 7 . 1 1 42 42 GLY H H 42 4.698 4.698 7.528 -2.830 25477 1220 1 7 . 1 1 43 43 LYS N N 43 121.161 121.161 120.067 1.094 25477 1221 1 7 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.082 -4.200 25477 1222 1 7 . 1 1 43 43 LYS H H 43 7.221 7.221 8.496 -1.275 25477 1223 1 7 . 1 1 44 44 GLU N N 44 117.347 117.347 119.817 -2.470 25477 1224 1 7 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.085 2.043 25477 1225 1 7 . 1 1 44 44 GLU H H 44 8.811 8.811 8.610 0.201 25477 1226 1 7 . 1 1 45 45 MET N N 45 119.032 119.032 115.683 3.349 25477 1227 1 7 . 1 1 45 45 MET HA H 45 4.195 4.195 4.047 0.148 25477 1228 1 7 . 1 1 45 45 MET H H 45 8.202 8.202 7.731 0.471 25477 1229 1 7 . 1 1 46 46 ALA N N 46 120.454 120.454 121.449 -0.995 25477 1230 1 7 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.778 -2.050 25477 1231 1 7 . 1 1 46 46 ALA H H 46 7.585 7.585 7.091 0.494 25477 1232 1 7 . 1 1 47 47 HIS N N 47 118.598 118.598 114.608 3.990 25477 1233 1 7 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.299 3.975 25477 1234 1 7 . 1 1 47 47 HIS H H 47 11.691 11.691 7.663 4.028 25477 1235 1 7 . 1 1 48 48 GLY N N 48 112.155 112.155 106.823 5.332 25477 1236 1 7 . 1 1 48 48 GLY H H 48 8.572 8.572 7.537 1.035 25477 1237 1 7 . 1 1 49 49 LYS N N 49 126.044 126.044 121.037 5.007 25477 1238 1 7 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.357 -1.040 25477 1239 1 7 . 1 1 49 49 LYS H H 49 9.177 9.177 8.390 0.787 25477 1240 1 7 . 1 1 50 50 GLY N N 50 104.401 104.401 104.936 -0.535 25477 1241 1 7 . 1 1 50 50 GLY H H 50 7.684 7.684 7.467 0.217 25477 1242 1 7 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.248 -6.167 25477 1243 1 7 . 1 1 51 51 CYS H H 51 4.993 4.993 8.013 -3.020 25477 1244 1 7 . 1 1 52 52 LYS N N 52 121.643 121.643 122.377 -0.734 25477 1245 1 7 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.757 0.788 25477 1246 1 7 . 1 1 52 52 LYS H H 52 7.729 7.729 8.030 -0.301 25477 1247 1 7 . 1 1 53 53 GLY N N 53 104.830 104.830 108.866 -4.036 25477 1248 1 7 . 1 1 53 53 GLY H H 53 9.306 9.306 8.825 0.481 25477 1249 1 7 . 1 1 54 54 CYS N N 54 118.874 118.874 121.555 -2.681 25477 1250 1 7 . 1 1 54 54 CYS HA H 54 4.415 4.415 4.050 0.365 25477 1251 1 7 . 1 1 54 54 CYS H H 54 6.172 6.172 8.282 -2.110 25477 1252 1 7 . 1 1 55 55 HIS N N 55 119.047 119.047 119.400 -0.353 25477 1253 1 7 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.362 4.195 25477 1254 1 7 . 1 1 55 55 HIS H H 55 10.083 10.083 7.557 2.526 25477 1255 1 7 . 1 1 56 56 GLU N N 56 119.125 119.125 118.578 0.547 25477 1256 1 7 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.061 0.719 25477 1257 1 7 . 1 1 56 56 GLU H H 56 9.871 9.871 8.314 1.557 25477 1258 1 7 . 1 1 57 57 GLU N N 57 120.962 120.962 118.204 2.758 25477 1259 1 7 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.275 0.026 25477 1260 1 7 . 1 1 57 57 GLU H H 57 8.337 8.337 8.255 0.082 25477 1261 1 7 . 1 1 58 58 MET N N 58 114.871 114.871 118.477 -3.606 25477 1262 1 7 . 1 1 58 58 MET HA H 58 4.270 4.270 4.282 -0.012 25477 1263 1 7 . 1 1 58 58 MET H H 58 9.289 9.289 8.444 0.845 25477 1264 1 7 . 1 1 59 59 LYS N N 59 115.252 115.252 116.277 -1.025 25477 1265 1 7 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.003 0.188 25477 1266 1 7 . 1 1 59 59 LYS H H 59 8.157 8.157 8.308 -0.151 25477 1267 1 7 . 1 1 60 60 LYS N N 60 118.225 118.225 117.326 0.899 25477 1268 1 7 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.554 -0.689 25477 1269 1 7 . 1 1 60 60 LYS H H 60 8.245 8.245 7.552 0.693 25477 1270 1 7 . 1 1 61 61 GLY N N 61 102.395 102.395 110.020 -7.625 25477 1271 1 7 . 1 1 61 61 GLY H H 61 6.115 6.115 8.264 -2.149 25477 1272 1 7 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.750 -0.236 25477 1273 1 7 . 1 1 63 63 THR N N 63 111.336 111.336 109.767 1.569 25477 1274 1 7 . 1 1 63 63 THR HA H 63 4.951 4.951 4.445 0.506 25477 1275 1 7 . 1 1 63 63 THR H H 63 8.757 8.757 8.212 0.545 25477 1276 1 7 . 1 1 64 64 LYS N N 64 123.633 123.633 122.702 0.931 25477 1277 1 7 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.269 -0.268 25477 1278 1 7 . 1 1 64 64 LYS H H 64 8.034 8.034 7.901 0.133 25477 1279 1 7 . 1 1 65 65 CYS N N 65 116.426 116.426 119.143 -2.717 25477 1280 1 7 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.401 -5.786 25477 1281 1 7 . 1 1 65 65 CYS H H 65 6.648 6.648 8.732 -2.084 25477 1282 1 7 . 1 1 66 66 GLY N N 66 102.751 102.751 108.709 -5.958 25477 1283 1 7 . 1 1 66 66 GLY H H 66 8.344 8.344 8.706 -0.362 25477 1284 1 7 . 1 1 67 67 GLU N N 67 115.893 115.893 118.261 -2.368 25477 1285 1 7 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.409 -0.268 25477 1286 1 7 . 1 1 67 67 GLU H H 67 6.998 6.998 8.203 -1.205 25477 1287 1 7 . 1 1 68 68 CYS N N 68 113.306 113.306 116.865 -3.559 25477 1288 1 7 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.534 1.008 25477 1289 1 7 . 1 1 68 68 CYS H H 68 6.644 6.644 8.508 -1.864 25477 1290 1 7 . 1 1 69 69 HIS N N 69 121.421 121.421 118.436 2.985 25477 1291 1 7 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.397 5.117 25477 1292 1 7 . 1 1 69 69 HIS H H 69 11.614 11.614 8.722 2.892 25477 1293 1 7 . 1 1 70 70 LYS N N 70 127.268 127.268 121.724 5.544 25477 1294 1 7 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.678 1.156 25477 1295 1 7 . 1 1 70 70 LYS H H 70 10.287 10.287 8.036 2.251 25477 1296 1 8 . 1 1 2 2 ASP N N 2 124.367 124.367 119.600 4.767 25477 1297 1 8 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.645 2.602 25477 1298 1 8 . 1 1 2 2 ASP H H 2 10.343 10.343 8.319 2.024 25477 1299 1 8 . 1 1 3 3 ASP N N 3 120.501 120.501 118.467 2.034 25477 1300 1 8 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.707 2.572 25477 1301 1 8 . 1 1 3 3 ASP H H 3 9.546 9.546 7.628 1.918 25477 1302 1 8 . 1 1 4 4 ILE N N 4 123.994 123.994 124.713 -0.719 25477 1303 1 8 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.378 0.722 25477 1304 1 8 . 1 1 4 4 ILE H H 4 10.258 10.258 9.009 1.249 25477 1305 1 8 . 1 1 5 5 VAL N N 5 129.474 129.474 127.612 1.862 25477 1306 1 8 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.674 0.258 25477 1307 1 8 . 1 1 5 5 VAL H H 5 9.384 9.384 8.701 0.683 25477 1308 1 8 . 1 1 6 6 LEU N N 6 132.431 132.431 129.618 2.813 25477 1309 1 8 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.607 -0.065 25477 1310 1 8 . 1 1 6 6 LEU H H 6 9.655 9.655 8.199 1.456 25477 1311 1 8 . 1 1 7 7 LYS N N 7 124.598 124.598 123.876 0.722 25477 1312 1 8 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.199 0.748 25477 1313 1 8 . 1 1 7 7 LYS H H 7 8.556 8.556 8.260 0.296 25477 1314 1 8 . 1 1 8 8 ALA N N 8 124.683 124.683 126.701 -2.018 25477 1315 1 8 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.819 -0.037 25477 1316 1 8 . 1 1 8 8 ALA H H 8 10.136 10.136 8.331 1.805 25477 1317 1 8 . 1 1 9 9 LYS N N 9 125.212 125.212 119.152 6.060 25477 1318 1 8 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.170 0.167 25477 1319 1 8 . 1 1 9 9 LYS H H 9 10.009 10.009 8.528 1.481 25477 1320 1 8 . 1 1 10 10 ASN N N 10 114.864 114.864 117.327 -2.463 25477 1321 1 8 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.632 0.475 25477 1322 1 8 . 1 1 10 10 ASN H H 10 9.692 9.692 7.919 1.773 25477 1323 1 8 . 1 1 11 11 GLY N N 11 113.592 113.592 107.460 6.132 25477 1324 1 8 . 1 1 11 11 GLY H H 11 9.484 9.484 7.504 1.980 25477 1325 1 8 . 1 1 12 12 ASP N N 12 133.500 133.500 122.572 10.928 25477 1326 1 8 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.905 2.081 25477 1327 1 8 . 1 1 12 12 ASP H H 12 10.354 10.354 8.523 1.831 25477 1328 1 8 . 1 1 13 13 VAL N N 13 122.888 122.888 118.697 4.191 25477 1329 1 8 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.821 1.943 25477 1330 1 8 . 1 1 13 13 VAL H H 13 10.729 10.729 7.959 2.770 25477 1331 1 8 . 1 1 14 14 LYS N N 14 130.045 130.045 128.127 1.918 25477 1332 1 8 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.500 0.574 25477 1333 1 8 . 1 1 14 14 LYS H H 14 9.987 9.987 8.429 1.558 25477 1334 1 8 . 1 1 15 15 PHE N N 15 126.228 126.228 127.090 -0.862 25477 1335 1 8 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.907 0.908 25477 1336 1 8 . 1 1 15 15 PHE H H 15 9.869 9.869 8.229 1.640 25477 1337 1 8 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.645 2.740 25477 1338 1 8 . 1 1 17 17 HIS N N 17 138.291 138.291 127.005 11.286 25477 1339 1 8 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.719 4.658 25477 1340 1 8 . 1 1 17 17 HIS H H 17 11.607 11.607 8.079 3.528 25477 1341 1 8 . 1 1 18 18 LYS N N 18 126.220 126.220 118.817 7.403 25477 1342 1 8 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.002 3.445 25477 1343 1 8 . 1 1 18 18 LYS H H 18 12.968 12.968 8.636 4.332 25477 1344 1 8 . 1 1 19 19 ALA N N 19 124.418 124.418 120.932 3.486 25477 1345 1 8 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.254 1.324 25477 1346 1 8 . 1 1 19 19 ALA H H 19 10.987 10.987 7.354 3.633 25477 1347 1 8 . 1 1 20 20 HIS N N 20 118.446 118.446 115.967 2.479 25477 1348 1 8 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.470 3.454 25477 1349 1 8 . 1 1 20 20 HIS H H 20 12.109 12.109 7.787 4.322 25477 1350 1 8 . 1 1 21 21 GLN N N 21 121.637 121.637 115.882 5.755 25477 1351 1 8 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.188 -0.432 25477 1352 1 8 . 1 1 21 21 GLN H H 21 9.883 9.883 7.648 2.235 25477 1353 1 8 . 1 1 22 22 LYS N N 22 117.108 117.108 117.704 -0.596 25477 1354 1 8 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.392 0.056 25477 1355 1 8 . 1 1 22 22 LYS H H 22 8.086 8.086 7.554 0.531 25477 1356 1 8 . 1 1 23 23 ALA N N 23 119.728 119.728 122.805 -3.077 25477 1357 1 8 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.223 0.153 25477 1358 1 8 . 1 1 23 23 ALA H H 23 8.047 8.047 7.448 0.599 25477 1359 1 8 . 1 1 24 24 VAL N N 24 118.949 118.949 116.846 2.103 25477 1360 1 8 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.321 -0.497 25477 1361 1 8 . 1 1 24 24 VAL H H 24 8.394 8.394 7.594 0.800 25477 1362 1 8 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.188 0.035 25477 1363 1 8 . 1 1 26 26 ASP N N 26 118.341 118.341 115.784 2.557 25477 1364 1 8 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.682 -0.283 25477 1365 1 8 . 1 1 26 26 ASP H H 26 7.169 7.169 8.369 -1.200 25477 1366 1 8 . 1 1 27 27 CYS N N 27 124.578 124.578 117.822 6.756 25477 1367 1 8 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.017 -1.971 25477 1368 1 8 . 1 1 27 27 CYS H H 27 7.468 7.468 7.809 -0.341 25477 1369 1 8 . 1 1 28 28 LYS N N 28 115.097 115.097 120.392 -5.295 25477 1370 1 8 . 1 1 28 28 LYS HA H 28 5.514 5.514 3.760 1.754 25477 1371 1 8 . 1 1 28 28 LYS H H 28 8.329 8.329 8.695 -0.366 25477 1372 1 8 . 1 1 29 29 LYS N N 29 118.552 118.552 117.880 0.672 25477 1373 1 8 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.260 -0.473 25477 1374 1 8 . 1 1 29 29 LYS H H 29 7.449 7.449 8.388 -0.939 25477 1375 1 8 . 1 1 30 30 CYS N N 30 111.091 111.091 115.251 -4.160 25477 1376 1 8 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.535 -0.136 25477 1377 1 8 . 1 1 30 30 CYS H H 30 6.636 6.636 7.728 -1.092 25477 1378 1 8 . 1 1 31 31 HIS N N 31 122.497 122.497 120.859 1.638 25477 1379 1 8 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.706 5.525 25477 1380 1 8 . 1 1 31 31 HIS H H 31 11.948 11.948 8.326 3.622 25477 1381 1 8 . 1 1 32 32 GLU N N 32 128.508 128.508 120.632 7.876 25477 1382 1 8 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.112 1.035 25477 1383 1 8 . 1 1 32 32 GLU H H 32 10.401 10.401 7.710 2.691 25477 1384 1 8 . 1 1 33 33 LYS N N 33 117.199 117.199 119.112 -1.913 25477 1385 1 8 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.255 1.049 25477 1386 1 8 . 1 1 33 33 LYS H H 33 10.277 10.277 8.432 1.845 25477 1387 1 8 . 1 1 34 34 GLY N N 34 109.000 109.000 103.787 5.213 25477 1388 1 8 . 1 1 34 34 GLY H H 34 8.997 8.997 7.723 1.274 25477 1389 1 8 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.706 2.531 25477 1390 1 8 . 1 1 37 37 LYS N N 37 118.406 118.406 119.258 -0.852 25477 1391 1 8 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.123 -1.317 25477 1392 1 8 . 1 1 37 37 LYS H H 37 7.501 7.501 8.172 -0.671 25477 1393 1 8 . 1 1 38 38 ILE N N 38 128.016 128.016 128.296 -0.280 25477 1394 1 8 . 1 1 38 38 ILE HA H 38 5.325 5.325 3.921 1.404 25477 1395 1 8 . 1 1 38 38 ILE H H 38 9.561 9.561 8.728 0.833 25477 1396 1 8 . 1 1 39 39 GLU N N 39 131.257 131.257 124.724 6.533 25477 1397 1 8 . 1 1 39 39 GLU HA H 39 4.048 4.048 3.974 0.074 25477 1398 1 8 . 1 1 39 39 GLU H H 39 9.317 9.317 8.111 1.206 25477 1399 1 8 . 1 1 40 40 GLY N N 40 112.897 112.897 109.068 3.829 25477 1400 1 8 . 1 1 40 40 GLY H H 40 8.977 8.977 8.384 0.593 25477 1401 1 8 . 1 1 41 41 PHE N N 41 121.371 121.371 122.422 -1.051 25477 1402 1 8 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.202 -0.661 25477 1403 1 8 . 1 1 41 41 PHE H H 41 7.595 7.595 7.926 -0.331 25477 1404 1 8 . 1 1 42 42 GLY H H 42 4.698 4.698 7.359 -2.661 25477 1405 1 8 . 1 1 43 43 LYS N N 43 121.161 121.161 120.412 0.749 25477 1406 1 8 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 3.704 -3.822 25477 1407 1 8 . 1 1 43 43 LYS H H 43 7.221 7.221 8.349 -1.128 25477 1408 1 8 . 1 1 44 44 GLU N N 44 117.347 117.347 118.009 -0.662 25477 1409 1 8 . 1 1 44 44 GLU HA H 44 6.128 6.128 3.975 2.153 25477 1410 1 8 . 1 1 44 44 GLU H H 44 8.811 8.811 8.727 0.084 25477 1411 1 8 . 1 1 45 45 MET N N 45 119.032 119.032 117.489 1.543 25477 1412 1 8 . 1 1 45 45 MET HA H 45 4.195 4.195 4.156 0.039 25477 1413 1 8 . 1 1 45 45 MET H H 45 8.202 8.202 6.976 1.226 25477 1414 1 8 . 1 1 46 46 ALA N N 46 120.454 120.454 122.033 -1.579 25477 1415 1 8 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.947 -2.219 25477 1416 1 8 . 1 1 46 46 ALA H H 46 7.585 7.585 7.414 0.171 25477 1417 1 8 . 1 1 47 47 HIS N N 47 118.598 118.598 115.917 2.681 25477 1418 1 8 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.236 4.038 25477 1419 1 8 . 1 1 47 47 HIS H H 47 11.691 11.691 7.661 4.030 25477 1420 1 8 . 1 1 48 48 GLY N N 48 112.155 112.155 106.666 5.489 25477 1421 1 8 . 1 1 48 48 GLY H H 48 8.572 8.572 7.397 1.175 25477 1422 1 8 . 1 1 49 49 LYS N N 49 126.044 126.044 120.694 5.350 25477 1423 1 8 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.312 -0.995 25477 1424 1 8 . 1 1 49 49 LYS H H 49 9.177 9.177 8.437 0.740 25477 1425 1 8 . 1 1 50 50 GLY N N 50 104.401 104.401 105.338 -0.937 25477 1426 1 8 . 1 1 50 50 GLY H H 50 7.684 7.684 7.422 0.262 25477 1427 1 8 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.190 -6.109 25477 1428 1 8 . 1 1 51 51 CYS H H 51 4.993 4.993 8.032 -3.039 25477 1429 1 8 . 1 1 52 52 LYS N N 52 121.643 121.643 122.514 -0.871 25477 1430 1 8 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.677 0.868 25477 1431 1 8 . 1 1 52 52 LYS H H 52 7.729 7.729 7.990 -0.261 25477 1432 1 8 . 1 1 53 53 GLY N N 53 104.830 104.830 108.564 -3.734 25477 1433 1 8 . 1 1 53 53 GLY H H 53 9.306 9.306 8.771 0.535 25477 1434 1 8 . 1 1 54 54 CYS N N 54 118.874 118.874 120.609 -1.735 25477 1435 1 8 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.973 0.442 25477 1436 1 8 . 1 1 54 54 CYS H H 54 6.172 6.172 8.380 -2.208 25477 1437 1 8 . 1 1 55 55 HIS N N 55 119.047 119.047 118.132 0.915 25477 1438 1 8 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.371 4.186 25477 1439 1 8 . 1 1 55 55 HIS H H 55 10.083 10.083 7.812 2.271 25477 1440 1 8 . 1 1 56 56 GLU N N 56 119.125 119.125 117.923 1.202 25477 1441 1 8 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.113 0.667 25477 1442 1 8 . 1 1 56 56 GLU H H 56 9.871 9.871 8.293 1.578 25477 1443 1 8 . 1 1 57 57 GLU N N 57 120.962 120.962 118.287 2.675 25477 1444 1 8 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.246 0.055 25477 1445 1 8 . 1 1 57 57 GLU H H 57 8.337 8.337 8.119 0.218 25477 1446 1 8 . 1 1 58 58 MET N N 58 114.871 114.871 117.958 -3.087 25477 1447 1 8 . 1 1 58 58 MET HA H 58 4.270 4.270 4.300 -0.030 25477 1448 1 8 . 1 1 58 58 MET H H 58 9.289 9.289 8.423 0.866 25477 1449 1 8 . 1 1 59 59 LYS N N 59 115.252 115.252 117.299 -2.047 25477 1450 1 8 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.020 0.171 25477 1451 1 8 . 1 1 59 59 LYS H H 59 8.157 8.157 8.115 0.042 25477 1452 1 8 . 1 1 60 60 LYS N N 60 118.225 118.225 117.314 0.911 25477 1453 1 8 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.555 -0.690 25477 1454 1 8 . 1 1 60 60 LYS H H 60 8.245 8.245 7.662 0.583 25477 1455 1 8 . 1 1 61 61 GLY N N 61 102.395 102.395 109.843 -7.448 25477 1456 1 8 . 1 1 61 61 GLY H H 61 6.115 6.115 8.184 -2.069 25477 1457 1 8 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.658 -0.144 25477 1458 1 8 . 1 1 63 63 THR N N 63 111.336 111.336 107.945 3.391 25477 1459 1 8 . 1 1 63 63 THR HA H 63 4.951 4.951 4.518 0.433 25477 1460 1 8 . 1 1 63 63 THR H H 63 8.757 8.757 8.014 0.743 25477 1461 1 8 . 1 1 64 64 LYS N N 64 123.633 123.633 121.600 2.033 25477 1462 1 8 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.517 -0.516 25477 1463 1 8 . 1 1 64 64 LYS H H 64 8.034 8.034 7.697 0.337 25477 1464 1 8 . 1 1 65 65 CYS N N 65 116.426 116.426 119.279 -2.853 25477 1465 1 8 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.396 -5.781 25477 1466 1 8 . 1 1 65 65 CYS H H 65 6.648 6.648 8.684 -2.036 25477 1467 1 8 . 1 1 66 66 GLY N N 66 102.751 102.751 109.261 -6.510 25477 1468 1 8 . 1 1 66 66 GLY H H 66 8.344 8.344 8.657 -0.313 25477 1469 1 8 . 1 1 67 67 GLU N N 67 115.893 115.893 118.823 -2.930 25477 1470 1 8 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.391 -0.250 25477 1471 1 8 . 1 1 67 67 GLU H H 67 6.998 6.998 8.305 -1.307 25477 1472 1 8 . 1 1 68 68 CYS N N 68 113.306 113.306 116.605 -3.299 25477 1473 1 8 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.464 1.078 25477 1474 1 8 . 1 1 68 68 CYS H H 68 6.644 6.644 8.402 -1.758 25477 1475 1 8 . 1 1 69 69 HIS N N 69 121.421 121.421 118.075 3.346 25477 1476 1 8 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.481 5.033 25477 1477 1 8 . 1 1 69 69 HIS H H 69 11.614 11.614 8.664 2.950 25477 1478 1 8 . 1 1 70 70 LYS N N 70 127.268 127.268 119.734 7.534 25477 1479 1 8 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.500 1.334 25477 1480 1 8 . 1 1 70 70 LYS H H 70 10.287 10.287 8.291 1.996 25477 1481 1 9 . 1 1 2 2 ASP N N 2 124.367 124.367 118.944 5.423 25477 1482 1 9 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.335 2.912 25477 1483 1 9 . 1 1 2 2 ASP H H 2 10.343 10.343 8.322 2.021 25477 1484 1 9 . 1 1 3 3 ASP N N 3 120.501 120.501 119.073 1.428 25477 1485 1 9 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.810 2.469 25477 1486 1 9 . 1 1 3 3 ASP H H 3 9.546 9.546 7.960 1.586 25477 1487 1 9 . 1 1 4 4 ILE N N 4 123.994 123.994 127.316 -3.322 25477 1488 1 9 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.310 0.789 25477 1489 1 9 . 1 1 4 4 ILE H H 4 10.258 10.258 9.012 1.246 25477 1490 1 9 . 1 1 5 5 VAL N N 5 129.474 129.474 127.730 1.744 25477 1491 1 9 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.614 0.318 25477 1492 1 9 . 1 1 5 5 VAL H H 5 9.384 9.384 8.712 0.672 25477 1493 1 9 . 1 1 6 6 LEU N N 6 132.431 132.431 129.864 2.567 25477 1494 1 9 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.524 0.018 25477 1495 1 9 . 1 1 6 6 LEU H H 6 9.655 9.655 8.174 1.481 25477 1496 1 9 . 1 1 7 7 LYS N N 7 124.598 124.598 122.195 2.403 25477 1497 1 9 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.060 0.887 25477 1498 1 9 . 1 1 7 7 LYS H H 7 8.556 8.556 7.799 0.757 25477 1499 1 9 . 1 1 8 8 ALA N N 8 124.683 124.683 127.402 -2.719 25477 1500 1 9 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.493 0.289 25477 1501 1 9 . 1 1 8 8 ALA H H 8 10.136 10.136 7.843 2.293 25477 1502 1 9 . 1 1 9 9 LYS N N 9 125.212 125.212 120.285 4.927 25477 1503 1 9 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.236 0.101 25477 1504 1 9 . 1 1 9 9 LYS H H 9 10.009 10.009 8.512 1.497 25477 1505 1 9 . 1 1 10 10 ASN N N 10 114.864 114.864 117.939 -3.075 25477 1506 1 9 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.770 0.337 25477 1507 1 9 . 1 1 10 10 ASN H H 10 9.692 9.692 8.037 1.655 25477 1508 1 9 . 1 1 11 11 GLY N N 11 113.592 113.592 110.419 3.173 25477 1509 1 9 . 1 1 11 11 GLY H H 11 9.484 9.484 8.037 1.447 25477 1510 1 9 . 1 1 12 12 ASP N N 12 133.500 133.500 120.745 12.755 25477 1511 1 9 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.749 2.237 25477 1512 1 9 . 1 1 12 12 ASP H H 12 10.354 10.354 8.289 2.065 25477 1513 1 9 . 1 1 13 13 VAL N N 13 122.888 122.888 117.015 5.873 25477 1514 1 9 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.890 1.874 25477 1515 1 9 . 1 1 13 13 VAL H H 13 10.729 10.729 8.073 2.656 25477 1516 1 9 . 1 1 14 14 LYS N N 14 130.045 130.045 127.737 2.308 25477 1517 1 9 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.530 0.544 25477 1518 1 9 . 1 1 14 14 LYS H H 14 9.987 9.987 8.400 1.587 25477 1519 1 9 . 1 1 15 15 PHE N N 15 126.228 126.228 127.908 -1.680 25477 1520 1 9 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.894 0.921 25477 1521 1 9 . 1 1 15 15 PHE H H 15 9.869 9.869 8.206 1.663 25477 1522 1 9 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.798 2.587 25477 1523 1 9 . 1 1 17 17 HIS N N 17 138.291 138.291 127.295 10.996 25477 1524 1 9 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.839 4.538 25477 1525 1 9 . 1 1 17 17 HIS H H 17 11.607 11.607 8.689 2.918 25477 1526 1 9 . 1 1 18 18 LYS N N 18 126.220 126.220 118.844 7.376 25477 1527 1 9 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.326 3.121 25477 1528 1 9 . 1 1 18 18 LYS H H 18 12.968 12.968 7.767 5.201 25477 1529 1 9 . 1 1 19 19 ALA N N 19 124.418 124.418 120.378 4.040 25477 1530 1 9 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.260 1.318 25477 1531 1 9 . 1 1 19 19 ALA H H 19 10.987 10.987 7.121 3.866 25477 1532 1 9 . 1 1 20 20 HIS N N 20 118.446 118.446 115.933 2.513 25477 1533 1 9 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.462 3.462 25477 1534 1 9 . 1 1 20 20 HIS H H 20 12.109 12.109 8.109 4.000 25477 1535 1 9 . 1 1 21 21 GLN N N 21 121.637 121.637 115.646 5.991 25477 1536 1 9 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.217 -0.461 25477 1537 1 9 . 1 1 21 21 GLN H H 21 9.883 9.883 7.418 2.465 25477 1538 1 9 . 1 1 22 22 LYS N N 22 117.108 117.108 118.705 -1.597 25477 1539 1 9 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.473 -0.025 25477 1540 1 9 . 1 1 22 22 LYS H H 22 8.086 8.086 7.522 0.564 25477 1541 1 9 . 1 1 23 23 ALA N N 23 119.728 119.728 123.418 -3.690 25477 1542 1 9 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.285 0.091 25477 1543 1 9 . 1 1 23 23 ALA H H 23 8.047 8.047 7.394 0.653 25477 1544 1 9 . 1 1 24 24 VAL N N 24 118.949 118.949 116.554 2.395 25477 1545 1 9 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.473 -0.649 25477 1546 1 9 . 1 1 24 24 VAL H H 24 8.394 8.394 7.568 0.826 25477 1547 1 9 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.194 0.029 25477 1548 1 9 . 1 1 26 26 ASP N N 26 118.341 118.341 115.755 2.586 25477 1549 1 9 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.691 -0.292 25477 1550 1 9 . 1 1 26 26 ASP H H 26 7.169 7.169 8.373 -1.204 25477 1551 1 9 . 1 1 27 27 CYS N N 27 124.578 124.578 117.430 7.148 25477 1552 1 9 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.021 -1.975 25477 1553 1 9 . 1 1 27 27 CYS H H 27 7.468 7.468 7.605 -0.137 25477 1554 1 9 . 1 1 28 28 LYS N N 28 115.097 115.097 115.488 -0.391 25477 1555 1 9 . 1 1 28 28 LYS HA H 28 5.514 5.514 3.802 1.712 25477 1556 1 9 . 1 1 28 28 LYS H H 28 8.329 8.329 8.719 -0.390 25477 1557 1 9 . 1 1 29 29 LYS N N 29 118.552 118.552 119.606 -1.054 25477 1558 1 9 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.209 -0.422 25477 1559 1 9 . 1 1 29 29 LYS H H 29 7.449 7.449 8.302 -0.853 25477 1560 1 9 . 1 1 30 30 CYS N N 30 111.091 111.091 115.103 -4.012 25477 1561 1 9 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.489 -0.090 25477 1562 1 9 . 1 1 30 30 CYS H H 30 6.636 6.636 7.743 -1.107 25477 1563 1 9 . 1 1 31 31 HIS N N 31 122.497 122.497 121.177 1.320 25477 1564 1 9 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.711 5.520 25477 1565 1 9 . 1 1 31 31 HIS H H 31 11.948 11.948 8.447 3.501 25477 1566 1 9 . 1 1 32 32 GLU N N 32 128.508 128.508 120.340 8.168 25477 1567 1 9 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.000 1.147 25477 1568 1 9 . 1 1 32 32 GLU H H 32 10.401 10.401 7.766 2.635 25477 1569 1 9 . 1 1 33 33 LYS N N 33 117.199 117.199 119.965 -2.766 25477 1570 1 9 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.199 1.105 25477 1571 1 9 . 1 1 33 33 LYS H H 33 10.277 10.277 8.349 1.928 25477 1572 1 9 . 1 1 34 34 GLY N N 34 109.000 109.000 104.412 4.588 25477 1573 1 9 . 1 1 34 34 GLY H H 34 8.997 8.997 7.797 1.200 25477 1574 1 9 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.735 2.502 25477 1575 1 9 . 1 1 37 37 LYS N N 37 118.406 118.406 119.514 -1.108 25477 1576 1 9 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.101 -1.295 25477 1577 1 9 . 1 1 37 37 LYS H H 37 7.501 7.501 8.226 -0.725 25477 1578 1 9 . 1 1 38 38 ILE N N 38 128.016 128.016 124.724 3.292 25477 1579 1 9 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.117 1.208 25477 1580 1 9 . 1 1 38 38 ILE H H 38 9.561 9.561 8.146 1.415 25477 1581 1 9 . 1 1 39 39 GLU N N 39 131.257 131.257 128.504 2.753 25477 1582 1 9 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.078 -0.030 25477 1583 1 9 . 1 1 39 39 GLU H H 39 9.317 9.317 8.744 0.573 25477 1584 1 9 . 1 1 40 40 GLY N N 40 112.897 112.897 112.429 0.468 25477 1585 1 9 . 1 1 40 40 GLY H H 40 8.977 8.977 8.157 0.820 25477 1586 1 9 . 1 1 41 41 PHE N N 41 121.371 121.371 125.429 -4.058 25477 1587 1 9 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.249 -0.708 25477 1588 1 9 . 1 1 41 41 PHE H H 41 7.595 7.595 8.162 -0.567 25477 1589 1 9 . 1 1 42 42 GLY H H 42 4.698 4.698 7.713 -3.015 25477 1590 1 9 . 1 1 43 43 LYS N N 43 121.161 121.161 120.797 0.364 25477 1591 1 9 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.043 -4.161 25477 1592 1 9 . 1 1 43 43 LYS H H 43 7.221 7.221 8.474 -1.253 25477 1593 1 9 . 1 1 44 44 GLU N N 44 117.347 117.347 119.241 -1.894 25477 1594 1 9 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.066 2.062 25477 1595 1 9 . 1 1 44 44 GLU H H 44 8.811 8.811 8.614 0.197 25477 1596 1 9 . 1 1 45 45 MET N N 45 119.032 119.032 115.838 3.194 25477 1597 1 9 . 1 1 45 45 MET HA H 45 4.195 4.195 4.078 0.117 25477 1598 1 9 . 1 1 45 45 MET H H 45 8.202 8.202 7.763 0.439 25477 1599 1 9 . 1 1 46 46 ALA N N 46 120.454 120.454 121.728 -1.274 25477 1600 1 9 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.817 -2.089 25477 1601 1 9 . 1 1 46 46 ALA H H 46 7.585 7.585 7.501 0.084 25477 1602 1 9 . 1 1 47 47 HIS N N 47 118.598 118.598 115.838 2.760 25477 1603 1 9 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.240 4.034 25477 1604 1 9 . 1 1 47 47 HIS H H 47 11.691 11.691 7.734 3.957 25477 1605 1 9 . 1 1 48 48 GLY N N 48 112.155 112.155 106.666 5.489 25477 1606 1 9 . 1 1 48 48 GLY H H 48 8.572 8.572 7.527 1.045 25477 1607 1 9 . 1 1 49 49 LYS N N 49 126.044 126.044 121.408 4.636 25477 1608 1 9 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.299 -0.982 25477 1609 1 9 . 1 1 49 49 LYS H H 49 9.177 9.177 8.404 0.773 25477 1610 1 9 . 1 1 50 50 GLY N N 50 104.401 104.401 104.900 -0.499 25477 1611 1 9 . 1 1 50 50 GLY H H 50 7.684 7.684 7.511 0.173 25477 1612 1 9 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.196 -6.115 25477 1613 1 9 . 1 1 51 51 CYS H H 51 4.993 4.993 7.940 -2.947 25477 1614 1 9 . 1 1 52 52 LYS N N 52 121.643 121.643 122.572 -0.929 25477 1615 1 9 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.655 0.890 25477 1616 1 9 . 1 1 52 52 LYS H H 52 7.729 7.729 8.058 -0.329 25477 1617 1 9 . 1 1 53 53 GLY N N 53 104.830 104.830 108.623 -3.793 25477 1618 1 9 . 1 1 53 53 GLY H H 53 9.306 9.306 8.808 0.498 25477 1619 1 9 . 1 1 54 54 CYS N N 54 118.874 118.874 122.068 -3.194 25477 1620 1 9 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.917 0.498 25477 1621 1 9 . 1 1 54 54 CYS H H 54 6.172 6.172 8.390 -2.218 25477 1622 1 9 . 1 1 55 55 HIS N N 55 119.047 119.047 118.907 0.140 25477 1623 1 9 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.421 4.136 25477 1624 1 9 . 1 1 55 55 HIS H H 55 10.083 10.083 7.734 2.349 25477 1625 1 9 . 1 1 56 56 GLU N N 56 119.125 119.125 118.043 1.082 25477 1626 1 9 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.079 0.701 25477 1627 1 9 . 1 1 56 56 GLU H H 56 9.871 9.871 8.333 1.538 25477 1628 1 9 . 1 1 57 57 GLU N N 57 120.962 120.962 118.735 2.227 25477 1629 1 9 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.248 0.053 25477 1630 1 9 . 1 1 57 57 GLU H H 57 8.337 8.337 7.944 0.393 25477 1631 1 9 . 1 1 58 58 MET N N 58 114.871 114.871 117.860 -2.989 25477 1632 1 9 . 1 1 58 58 MET HA H 58 4.270 4.270 4.306 -0.036 25477 1633 1 9 . 1 1 58 58 MET H H 58 9.289 9.289 8.443 0.846 25477 1634 1 9 . 1 1 59 59 LYS N N 59 115.252 115.252 116.402 -1.150 25477 1635 1 9 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.001 0.190 25477 1636 1 9 . 1 1 59 59 LYS H H 59 8.157 8.157 8.121 0.036 25477 1637 1 9 . 1 1 60 60 LYS N N 60 118.225 118.225 117.054 1.171 25477 1638 1 9 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.524 -0.659 25477 1639 1 9 . 1 1 60 60 LYS H H 60 8.245 8.245 7.790 0.455 25477 1640 1 9 . 1 1 61 61 GLY N N 61 102.395 102.395 109.462 -7.067 25477 1641 1 9 . 1 1 61 61 GLY H H 61 6.115 6.115 8.198 -2.083 25477 1642 1 9 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.678 -0.164 25477 1643 1 9 . 1 1 63 63 THR N N 63 111.336 111.336 110.520 0.816 25477 1644 1 9 . 1 1 63 63 THR HA H 63 4.951 4.951 4.456 0.495 25477 1645 1 9 . 1 1 63 63 THR H H 63 8.757 8.757 8.108 0.649 25477 1646 1 9 . 1 1 64 64 LYS N N 64 123.633 123.633 121.564 2.069 25477 1647 1 9 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.460 -0.459 25477 1648 1 9 . 1 1 64 64 LYS H H 64 8.034 8.034 7.853 0.181 25477 1649 1 9 . 1 1 65 65 CYS N N 65 116.426 116.426 119.484 -3.058 25477 1650 1 9 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.446 -5.831 25477 1651 1 9 . 1 1 65 65 CYS H H 65 6.648 6.648 8.770 -2.122 25477 1652 1 9 . 1 1 66 66 GLY N N 66 102.751 102.751 109.358 -6.607 25477 1653 1 9 . 1 1 66 66 GLY H H 66 8.344 8.344 8.654 -0.310 25477 1654 1 9 . 1 1 67 67 GLU N N 67 115.893 115.893 119.066 -3.173 25477 1655 1 9 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.372 -0.231 25477 1656 1 9 . 1 1 67 67 GLU H H 67 6.998 6.998 8.330 -1.332 25477 1657 1 9 . 1 1 68 68 CYS N N 68 113.306 113.306 116.717 -3.411 25477 1658 1 9 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.424 1.118 25477 1659 1 9 . 1 1 68 68 CYS H H 68 6.644 6.644 8.330 -1.686 25477 1660 1 9 . 1 1 69 69 HIS N N 69 121.421 121.421 118.470 2.951 25477 1661 1 9 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.515 4.999 25477 1662 1 9 . 1 1 69 69 HIS H H 69 11.614 11.614 8.777 2.837 25477 1663 1 9 . 1 1 70 70 LYS N N 70 127.268 127.268 121.254 6.014 25477 1664 1 9 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.494 1.340 25477 1665 1 9 . 1 1 70 70 LYS H H 70 10.287 10.287 8.319 1.968 25477 1666 1 10 . 1 1 2 2 ASP N N 2 124.367 124.367 118.632 5.735 25477 1667 1 10 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.839 2.408 25477 1668 1 10 . 1 1 2 2 ASP H H 2 10.343 10.343 8.472 1.871 25477 1669 1 10 . 1 1 3 3 ASP N N 3 120.501 120.501 117.974 2.527 25477 1670 1 10 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.971 2.308 25477 1671 1 10 . 1 1 3 3 ASP H H 3 9.546 9.546 7.695 1.851 25477 1672 1 10 . 1 1 4 4 ILE N N 4 123.994 123.994 125.054 -1.060 25477 1673 1 10 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.381 0.718 25477 1674 1 10 . 1 1 4 4 ILE H H 4 10.258 10.258 8.932 1.326 25477 1675 1 10 . 1 1 5 5 VAL N N 5 129.474 129.474 127.652 1.822 25477 1676 1 10 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.528 0.404 25477 1677 1 10 . 1 1 5 5 VAL H H 5 9.384 9.384 8.648 0.736 25477 1678 1 10 . 1 1 6 6 LEU N N 6 132.431 132.431 129.664 2.767 25477 1679 1 10 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.576 -0.034 25477 1680 1 10 . 1 1 6 6 LEU H H 6 9.655 9.655 8.124 1.531 25477 1681 1 10 . 1 1 7 7 LYS N N 7 124.598 124.598 122.950 1.648 25477 1682 1 10 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.113 0.834 25477 1683 1 10 . 1 1 7 7 LYS H H 7 8.556 8.556 8.080 0.476 25477 1684 1 10 . 1 1 8 8 ALA N N 8 124.683 124.683 127.157 -2.474 25477 1685 1 10 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.665 0.117 25477 1686 1 10 . 1 1 8 8 ALA H H 8 10.136 10.136 8.508 1.628 25477 1687 1 10 . 1 1 9 9 LYS N N 9 125.212 125.212 120.426 4.786 25477 1688 1 10 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.229 0.108 25477 1689 1 10 . 1 1 9 9 LYS H H 9 10.009 10.009 8.707 1.302 25477 1690 1 10 . 1 1 10 10 ASN N N 10 114.864 114.864 115.074 -0.210 25477 1691 1 10 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.766 0.341 25477 1692 1 10 . 1 1 10 10 ASN H H 10 9.692 9.692 7.830 1.862 25477 1693 1 10 . 1 1 11 11 GLY N N 11 113.592 113.592 108.763 4.829 25477 1694 1 10 . 1 1 11 11 GLY H H 11 9.484 9.484 7.950 1.534 25477 1695 1 10 . 1 1 12 12 ASP N N 12 133.500 133.500 123.158 10.342 25477 1696 1 10 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.770 2.216 25477 1697 1 10 . 1 1 12 12 ASP H H 12 10.354 10.354 8.463 1.891 25477 1698 1 10 . 1 1 13 13 VAL N N 13 122.888 122.888 118.375 4.513 25477 1699 1 10 . 1 1 13 13 VAL HA H 13 6.764 6.764 5.010 1.754 25477 1700 1 10 . 1 1 13 13 VAL H H 13 10.729 10.729 8.051 2.678 25477 1701 1 10 . 1 1 14 14 LYS N N 14 130.045 130.045 126.002 4.043 25477 1702 1 10 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.685 0.389 25477 1703 1 10 . 1 1 14 14 LYS H H 14 9.987 9.987 8.388 1.599 25477 1704 1 10 . 1 1 15 15 PHE N N 15 126.228 126.228 125.741 0.487 25477 1705 1 10 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.977 0.838 25477 1706 1 10 . 1 1 15 15 PHE H H 15 9.869 9.869 8.101 1.768 25477 1707 1 10 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.863 2.522 25477 1708 1 10 . 1 1 17 17 HIS N N 17 138.291 138.291 125.840 12.451 25477 1709 1 10 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.550 4.827 25477 1710 1 10 . 1 1 17 17 HIS H H 17 11.607 11.607 7.779 3.828 25477 1711 1 10 . 1 1 18 18 LYS N N 18 126.220 126.220 118.800 7.420 25477 1712 1 10 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.948 3.499 25477 1713 1 10 . 1 1 18 18 LYS H H 18 12.968 12.968 8.495 4.473 25477 1714 1 10 . 1 1 19 19 ALA N N 19 124.418 124.418 121.800 2.618 25477 1715 1 10 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.101 1.477 25477 1716 1 10 . 1 1 19 19 ALA H H 19 10.987 10.987 7.729 3.258 25477 1717 1 10 . 1 1 20 20 HIS N N 20 118.446 118.446 115.989 2.457 25477 1718 1 10 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.448 3.476 25477 1719 1 10 . 1 1 20 20 HIS H H 20 12.109 12.109 8.020 4.089 25477 1720 1 10 . 1 1 21 21 GLN N N 21 121.637 121.637 115.951 5.686 25477 1721 1 10 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.274 -0.518 25477 1722 1 10 . 1 1 21 21 GLN H H 21 9.883 9.883 7.722 2.161 25477 1723 1 10 . 1 1 22 22 LYS N N 22 117.108 117.108 118.135 -1.027 25477 1724 1 10 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.450 -0.002 25477 1725 1 10 . 1 1 22 22 LYS H H 22 8.086 8.086 7.564 0.522 25477 1726 1 10 . 1 1 23 23 ALA N N 23 119.728 119.728 121.343 -1.615 25477 1727 1 10 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.525 -0.149 25477 1728 1 10 . 1 1 23 23 ALA H H 23 8.047 8.047 8.032 0.015 25477 1729 1 10 . 1 1 24 24 VAL N N 24 118.949 118.949 119.581 -0.632 25477 1730 1 10 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.313 -0.489 25477 1731 1 10 . 1 1 24 24 VAL H H 24 8.394 8.394 7.735 0.659 25477 1732 1 10 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.168 0.055 25477 1733 1 10 . 1 1 26 26 ASP N N 26 118.341 118.341 117.978 0.363 25477 1734 1 10 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.690 -0.291 25477 1735 1 10 . 1 1 26 26 ASP H H 26 7.169 7.169 8.156 -0.987 25477 1736 1 10 . 1 1 27 27 CYS N N 27 124.578 124.578 123.342 1.236 25477 1737 1 10 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.383 -2.337 25477 1738 1 10 . 1 1 27 27 CYS H H 27 7.468 7.468 8.816 -1.348 25477 1739 1 10 . 1 1 28 28 LYS N N 28 115.097 115.097 118.097 -3.000 25477 1740 1 10 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.052 1.462 25477 1741 1 10 . 1 1 28 28 LYS H H 28 8.329 8.329 8.688 -0.359 25477 1742 1 10 . 1 1 29 29 LYS N N 29 118.552 118.552 119.215 -0.663 25477 1743 1 10 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.128 -0.341 25477 1744 1 10 . 1 1 29 29 LYS H H 29 7.449 7.449 8.602 -1.153 25477 1745 1 10 . 1 1 30 30 CYS N N 30 111.091 111.091 114.700 -3.609 25477 1746 1 10 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.518 -0.119 25477 1747 1 10 . 1 1 30 30 CYS H H 30 6.636 6.636 8.305 -1.669 25477 1748 1 10 . 1 1 31 31 HIS N N 31 122.497 122.497 120.268 2.229 25477 1749 1 10 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.639 5.592 25477 1750 1 10 . 1 1 31 31 HIS H H 31 11.948 11.948 8.366 3.582 25477 1751 1 10 . 1 1 32 32 GLU N N 32 128.508 128.508 119.960 8.548 25477 1752 1 10 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.393 0.754 25477 1753 1 10 . 1 1 32 32 GLU H H 32 10.401 10.401 8.261 2.140 25477 1754 1 10 . 1 1 33 33 LYS N N 33 117.199 117.199 120.829 -3.630 25477 1755 1 10 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.357 0.947 25477 1756 1 10 . 1 1 33 33 LYS H H 33 10.277 10.277 8.933 1.344 25477 1757 1 10 . 1 1 34 34 GLY N N 34 109.000 109.000 108.670 0.330 25477 1758 1 10 . 1 1 34 34 GLY H H 34 8.997 8.997 8.011 0.986 25477 1759 1 10 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.690 2.547 25477 1760 1 10 . 1 1 37 37 LYS N N 37 118.406 118.406 119.785 -1.379 25477 1761 1 10 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.083 -1.277 25477 1762 1 10 . 1 1 37 37 LYS H H 37 7.501 7.501 8.267 -0.766 25477 1763 1 10 . 1 1 38 38 ILE N N 38 128.016 128.016 125.698 2.318 25477 1764 1 10 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.002 1.323 25477 1765 1 10 . 1 1 38 38 ILE H H 38 9.561 9.561 8.159 1.402 25477 1766 1 10 . 1 1 39 39 GLU N N 39 131.257 131.257 127.985 3.272 25477 1767 1 10 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.010 0.038 25477 1768 1 10 . 1 1 39 39 GLU H H 39 9.317 9.317 8.854 0.463 25477 1769 1 10 . 1 1 40 40 GLY N N 40 112.897 112.897 111.801 1.096 25477 1770 1 10 . 1 1 40 40 GLY H H 40 8.977 8.977 8.628 0.349 25477 1771 1 10 . 1 1 41 41 PHE N N 41 121.371 121.371 123.842 -2.471 25477 1772 1 10 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.227 -0.686 25477 1773 1 10 . 1 1 41 41 PHE H H 41 7.595 7.595 7.682 -0.087 25477 1774 1 10 . 1 1 42 42 GLY H H 42 4.698 4.698 7.647 -2.949 25477 1775 1 10 . 1 1 43 43 LYS N N 43 121.161 121.161 120.894 0.267 25477 1776 1 10 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.005 -4.123 25477 1777 1 10 . 1 1 43 43 LYS H H 43 7.221 7.221 8.533 -1.312 25477 1778 1 10 . 1 1 44 44 GLU N N 44 117.347 117.347 119.452 -2.105 25477 1779 1 10 . 1 1 44 44 GLU HA H 44 6.128 6.128 3.986 2.142 25477 1780 1 10 . 1 1 44 44 GLU H H 44 8.811 8.811 8.712 0.099 25477 1781 1 10 . 1 1 45 45 MET N N 45 119.032 119.032 117.294 1.738 25477 1782 1 10 . 1 1 45 45 MET HA H 45 4.195 4.195 4.098 0.097 25477 1783 1 10 . 1 1 45 45 MET H H 45 8.202 8.202 7.749 0.453 25477 1784 1 10 . 1 1 46 46 ALA N N 46 120.454 120.454 121.881 -1.427 25477 1785 1 10 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.761 -2.033 25477 1786 1 10 . 1 1 46 46 ALA H H 46 7.585 7.585 7.565 0.020 25477 1787 1 10 . 1 1 47 47 HIS N N 47 118.598 118.598 116.049 2.549 25477 1788 1 10 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.221 4.053 25477 1789 1 10 . 1 1 47 47 HIS H H 47 11.691 11.691 7.643 4.048 25477 1790 1 10 . 1 1 48 48 GLY N N 48 112.155 112.155 106.570 5.585 25477 1791 1 10 . 1 1 48 48 GLY H H 48 8.572 8.572 7.345 1.227 25477 1792 1 10 . 1 1 49 49 LYS N N 49 126.044 126.044 120.532 5.512 25477 1793 1 10 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.199 -0.882 25477 1794 1 10 . 1 1 49 49 LYS H H 49 9.177 9.177 8.443 0.734 25477 1795 1 10 . 1 1 50 50 GLY N N 50 104.401 104.401 103.958 0.443 25477 1796 1 10 . 1 1 50 50 GLY H H 50 7.684 7.684 7.589 0.095 25477 1797 1 10 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.187 -6.106 25477 1798 1 10 . 1 1 51 51 CYS H H 51 4.993 4.993 7.546 -2.553 25477 1799 1 10 . 1 1 52 52 LYS N N 52 121.643 121.643 122.440 -0.797 25477 1800 1 10 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.503 1.042 25477 1801 1 10 . 1 1 52 52 LYS H H 52 7.729 7.729 7.982 -0.253 25477 1802 1 10 . 1 1 53 53 GLY N N 53 104.830 104.830 108.476 -3.646 25477 1803 1 10 . 1 1 53 53 GLY H H 53 9.306 9.306 8.852 0.454 25477 1804 1 10 . 1 1 54 54 CYS N N 54 118.874 118.874 121.706 -2.832 25477 1805 1 10 . 1 1 54 54 CYS HA H 54 4.415 4.415 4.012 0.403 25477 1806 1 10 . 1 1 54 54 CYS H H 54 6.172 6.172 8.201 -2.029 25477 1807 1 10 . 1 1 55 55 HIS N N 55 119.047 119.047 119.083 -0.036 25477 1808 1 10 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.385 4.172 25477 1809 1 10 . 1 1 55 55 HIS H H 55 10.083 10.083 7.756 2.327 25477 1810 1 10 . 1 1 56 56 GLU N N 56 119.125 119.125 118.418 0.707 25477 1811 1 10 . 1 1 56 56 GLU HA H 56 4.780 4.780 3.998 0.782 25477 1812 1 10 . 1 1 56 56 GLU H H 56 9.871 9.871 8.343 1.528 25477 1813 1 10 . 1 1 57 57 GLU N N 57 120.962 120.962 118.841 2.121 25477 1814 1 10 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.210 0.091 25477 1815 1 10 . 1 1 57 57 GLU H H 57 8.337 8.337 8.091 0.246 25477 1816 1 10 . 1 1 58 58 MET N N 58 114.871 114.871 117.417 -2.546 25477 1817 1 10 . 1 1 58 58 MET HA H 58 4.270 4.270 4.283 -0.013 25477 1818 1 10 . 1 1 58 58 MET H H 58 9.289 9.289 8.450 0.839 25477 1819 1 10 . 1 1 59 59 LYS N N 59 115.252 115.252 115.668 -0.416 25477 1820 1 10 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.970 0.221 25477 1821 1 10 . 1 1 59 59 LYS H H 59 8.157 8.157 7.910 0.247 25477 1822 1 10 . 1 1 60 60 LYS N N 60 118.225 118.225 118.878 -0.653 25477 1823 1 10 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.464 -0.599 25477 1824 1 10 . 1 1 60 60 LYS H H 60 8.245 8.245 7.557 0.688 25477 1825 1 10 . 1 1 61 61 GLY N N 61 102.395 102.395 110.066 -7.671 25477 1826 1 10 . 1 1 61 61 GLY H H 61 6.115 6.115 8.162 -2.047 25477 1827 1 10 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.796 -0.282 25477 1828 1 10 . 1 1 63 63 THR N N 63 111.336 111.336 110.547 0.789 25477 1829 1 10 . 1 1 63 63 THR HA H 63 4.951 4.951 4.462 0.489 25477 1830 1 10 . 1 1 63 63 THR H H 63 8.757 8.757 8.065 0.692 25477 1831 1 10 . 1 1 64 64 LYS N N 64 123.633 123.633 122.278 1.355 25477 1832 1 10 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.268 -0.267 25477 1833 1 10 . 1 1 64 64 LYS H H 64 8.034 8.034 7.824 0.210 25477 1834 1 10 . 1 1 65 65 CYS N N 65 116.426 116.426 122.462 -6.036 25477 1835 1 10 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.392 -5.777 25477 1836 1 10 . 1 1 65 65 CYS H H 65 6.648 6.648 8.705 -2.057 25477 1837 1 10 . 1 1 66 66 GLY N N 66 102.751 102.751 109.177 -6.426 25477 1838 1 10 . 1 1 66 66 GLY H H 66 8.344 8.344 8.646 -0.302 25477 1839 1 10 . 1 1 67 67 GLU N N 67 115.893 115.893 118.858 -2.965 25477 1840 1 10 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.415 -0.274 25477 1841 1 10 . 1 1 67 67 GLU H H 67 6.998 6.998 8.348 -1.350 25477 1842 1 10 . 1 1 68 68 CYS N N 68 113.306 113.306 116.822 -3.516 25477 1843 1 10 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.500 1.042 25477 1844 1 10 . 1 1 68 68 CYS H H 68 6.644 6.644 8.406 -1.762 25477 1845 1 10 . 1 1 69 69 HIS N N 69 121.421 121.421 118.872 2.549 25477 1846 1 10 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.525 4.989 25477 1847 1 10 . 1 1 69 69 HIS H H 69 11.614 11.614 8.736 2.878 25477 1848 1 10 . 1 1 70 70 LYS N N 70 127.268 127.268 122.159 5.109 25477 1849 1 10 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.577 1.257 25477 1850 1 10 . 1 1 70 70 LYS H H 70 10.287 10.287 8.158 2.129 25477 1851 1 11 . 1 1 2 2 ASP N N 2 124.367 124.367 118.758 5.609 25477 1852 1 11 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.378 2.869 25477 1853 1 11 . 1 1 2 2 ASP H H 2 10.343 10.343 8.750 1.593 25477 1854 1 11 . 1 1 3 3 ASP N N 3 120.501 120.501 120.738 -0.237 25477 1855 1 11 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.886 2.393 25477 1856 1 11 . 1 1 3 3 ASP H H 3 9.546 9.546 7.577 1.969 25477 1857 1 11 . 1 1 4 4 ILE N N 4 123.994 123.994 126.306 -2.312 25477 1858 1 11 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.349 0.750 25477 1859 1 11 . 1 1 4 4 ILE H H 4 10.258 10.258 8.785 1.473 25477 1860 1 11 . 1 1 5 5 VAL N N 5 129.474 129.474 127.192 2.282 25477 1861 1 11 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.535 0.397 25477 1862 1 11 . 1 1 5 5 VAL H H 5 9.384 9.384 8.598 0.786 25477 1863 1 11 . 1 1 6 6 LEU N N 6 132.431 132.431 129.411 3.020 25477 1864 1 11 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.531 0.011 25477 1865 1 11 . 1 1 6 6 LEU H H 6 9.655 9.655 8.375 1.280 25477 1866 1 11 . 1 1 7 7 LYS N N 7 124.598 124.598 125.112 -0.514 25477 1867 1 11 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.359 0.588 25477 1868 1 11 . 1 1 7 7 LYS H H 7 8.556 8.556 8.379 0.177 25477 1869 1 11 . 1 1 8 8 ALA N N 8 124.683 124.683 126.970 -2.287 25477 1870 1 11 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.618 0.164 25477 1871 1 11 . 1 1 8 8 ALA H H 8 10.136 10.136 8.159 1.977 25477 1872 1 11 . 1 1 9 9 LYS N N 9 125.212 125.212 121.849 3.363 25477 1873 1 11 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.012 0.325 25477 1874 1 11 . 1 1 9 9 LYS H H 9 10.009 10.009 8.727 1.282 25477 1875 1 11 . 1 1 10 10 ASN N N 10 114.864 114.864 117.993 -3.129 25477 1876 1 11 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.764 0.343 25477 1877 1 11 . 1 1 10 10 ASN H H 10 9.692 9.692 7.999 1.693 25477 1878 1 11 . 1 1 11 11 GLY N N 11 113.592 113.592 109.033 4.559 25477 1879 1 11 . 1 1 11 11 GLY H H 11 9.484 9.484 7.655 1.829 25477 1880 1 11 . 1 1 12 12 ASP N N 12 133.500 133.500 122.158 11.342 25477 1881 1 11 . 1 1 12 12 ASP HA H 12 6.986 6.986 5.088 1.898 25477 1882 1 11 . 1 1 12 12 ASP H H 12 10.354 10.354 8.517 1.837 25477 1883 1 11 . 1 1 13 13 VAL N N 13 122.888 122.888 118.666 4.222 25477 1884 1 11 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.921 1.843 25477 1885 1 11 . 1 1 13 13 VAL H H 13 10.729 10.729 7.867 2.862 25477 1886 1 11 . 1 1 14 14 LYS N N 14 130.045 130.045 124.449 5.596 25477 1887 1 11 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.726 0.348 25477 1888 1 11 . 1 1 14 14 LYS H H 14 9.987 9.987 8.441 1.546 25477 1889 1 11 . 1 1 15 15 PHE N N 15 126.228 126.228 124.813 1.415 25477 1890 1 11 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.822 0.993 25477 1891 1 11 . 1 1 15 15 PHE H H 15 9.869 9.869 8.019 1.850 25477 1892 1 11 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.869 2.516 25477 1893 1 11 . 1 1 17 17 HIS N N 17 138.291 138.291 126.504 11.787 25477 1894 1 11 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.737 4.640 25477 1895 1 11 . 1 1 17 17 HIS H H 17 11.607 11.607 7.928 3.679 25477 1896 1 11 . 1 1 18 18 LYS N N 18 126.220 126.220 117.883 8.337 25477 1897 1 11 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.977 3.470 25477 1898 1 11 . 1 1 18 18 LYS H H 18 12.968 12.968 7.691 5.277 25477 1899 1 11 . 1 1 19 19 ALA N N 19 124.418 124.418 121.406 3.012 25477 1900 1 11 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.174 1.404 25477 1901 1 11 . 1 1 19 19 ALA H H 19 10.987 10.987 7.802 3.185 25477 1902 1 11 . 1 1 20 20 HIS N N 20 118.446 118.446 114.878 3.568 25477 1903 1 11 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.532 3.392 25477 1904 1 11 . 1 1 20 20 HIS H H 20 12.109 12.109 7.764 4.345 25477 1905 1 11 . 1 1 21 21 GLN N N 21 121.637 121.637 116.893 4.744 25477 1906 1 11 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.352 -0.596 25477 1907 1 11 . 1 1 21 21 GLN H H 21 9.883 9.883 7.402 2.481 25477 1908 1 11 . 1 1 22 22 LYS N N 22 117.108 117.108 118.045 -0.937 25477 1909 1 11 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.389 0.059 25477 1910 1 11 . 1 1 22 22 LYS H H 22 8.086 8.086 7.578 0.508 25477 1911 1 11 . 1 1 23 23 ALA N N 23 119.728 119.728 121.771 -2.043 25477 1912 1 11 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.502 -0.126 25477 1913 1 11 . 1 1 23 23 ALA H H 23 8.047 8.047 8.086 -0.039 25477 1914 1 11 . 1 1 24 24 VAL N N 24 118.949 118.949 120.348 -1.399 25477 1915 1 11 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.403 -0.579 25477 1916 1 11 . 1 1 24 24 VAL H H 24 8.394 8.394 7.719 0.675 25477 1917 1 11 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.194 0.029 25477 1918 1 11 . 1 1 26 26 ASP N N 26 118.341 118.341 117.030 1.311 25477 1919 1 11 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.745 -0.346 25477 1920 1 11 . 1 1 26 26 ASP H H 26 7.169 7.169 7.884 -0.715 25477 1921 1 11 . 1 1 27 27 CYS N N 27 124.578 124.578 123.537 1.041 25477 1922 1 11 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.059 -2.013 25477 1923 1 11 . 1 1 27 27 CYS H H 27 7.468 7.468 8.411 -0.943 25477 1924 1 11 . 1 1 28 28 LYS N N 28 115.097 115.097 121.964 -6.867 25477 1925 1 11 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.077 1.437 25477 1926 1 11 . 1 1 28 28 LYS H H 28 8.329 8.329 7.949 0.380 25477 1927 1 11 . 1 1 29 29 LYS N N 29 118.552 118.552 120.085 -1.533 25477 1928 1 11 . 1 1 29 29 LYS HA H 29 3.787 3.787 3.954 -0.167 25477 1929 1 11 . 1 1 29 29 LYS H H 29 7.449 7.449 8.516 -1.067 25477 1930 1 11 . 1 1 30 30 CYS N N 30 111.091 111.091 115.410 -4.319 25477 1931 1 11 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.326 0.073 25477 1932 1 11 . 1 1 30 30 CYS H H 30 6.636 6.636 7.746 -1.110 25477 1933 1 11 . 1 1 31 31 HIS N N 31 122.497 122.497 119.527 2.970 25477 1934 1 11 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.796 5.434 25477 1935 1 11 . 1 1 31 31 HIS H H 31 11.948 11.948 7.850 4.098 25477 1936 1 11 . 1 1 32 32 GLU N N 32 128.508 128.508 121.333 7.175 25477 1937 1 11 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.026 1.121 25477 1938 1 11 . 1 1 32 32 GLU H H 32 10.401 10.401 7.840 2.561 25477 1939 1 11 . 1 1 33 33 LYS N N 33 117.199 117.199 118.561 -1.362 25477 1940 1 11 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.254 1.050 25477 1941 1 11 . 1 1 33 33 LYS H H 33 10.277 10.277 8.532 1.745 25477 1942 1 11 . 1 1 34 34 GLY N N 34 109.000 109.000 105.607 3.393 25477 1943 1 11 . 1 1 34 34 GLY H H 34 8.997 8.997 8.002 0.995 25477 1944 1 11 . 1 1 35 35 PRO HA H 35 6.237 6.237 4.120 2.117 25477 1945 1 11 . 1 1 37 37 LYS N N 37 118.406 118.406 120.226 -1.820 25477 1946 1 11 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.064 -1.258 25477 1947 1 11 . 1 1 37 37 LYS H H 37 7.501 7.501 8.248 -0.747 25477 1948 1 11 . 1 1 38 38 ILE N N 38 128.016 128.016 124.354 3.662 25477 1949 1 11 . 1 1 38 38 ILE HA H 38 5.325 5.325 3.917 1.408 25477 1950 1 11 . 1 1 38 38 ILE H H 38 9.561 9.561 8.241 1.320 25477 1951 1 11 . 1 1 39 39 GLU N N 39 131.257 131.257 127.618 3.639 25477 1952 1 11 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.065 -0.017 25477 1953 1 11 . 1 1 39 39 GLU H H 39 9.317 9.317 8.750 0.567 25477 1954 1 11 . 1 1 40 40 GLY N N 40 112.897 112.897 111.446 1.451 25477 1955 1 11 . 1 1 40 40 GLY H H 40 8.977 8.977 8.300 0.677 25477 1956 1 11 . 1 1 41 41 PHE N N 41 121.371 121.371 125.193 -3.822 25477 1957 1 11 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.208 -0.667 25477 1958 1 11 . 1 1 41 41 PHE H H 41 7.595 7.595 8.162 -0.567 25477 1959 1 11 . 1 1 42 42 GLY H H 42 4.698 4.698 7.536 -2.838 25477 1960 1 11 . 1 1 43 43 LYS N N 43 121.161 121.161 122.116 -0.955 25477 1961 1 11 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.179 -4.297 25477 1962 1 11 . 1 1 43 43 LYS H H 43 7.221 7.221 8.655 -1.434 25477 1963 1 11 . 1 1 44 44 GLU N N 44 117.347 117.347 119.771 -2.424 25477 1964 1 11 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.042 2.086 25477 1965 1 11 . 1 1 44 44 GLU H H 44 8.811 8.811 8.778 0.033 25477 1966 1 11 . 1 1 45 45 MET N N 45 119.032 119.032 117.875 1.157 25477 1967 1 11 . 1 1 45 45 MET HA H 45 4.195 4.195 4.092 0.103 25477 1968 1 11 . 1 1 45 45 MET H H 45 8.202 8.202 7.854 0.348 25477 1969 1 11 . 1 1 46 46 ALA N N 46 120.454 120.454 121.617 -1.163 25477 1970 1 11 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.838 -2.110 25477 1971 1 11 . 1 1 46 46 ALA H H 46 7.585 7.585 7.740 -0.155 25477 1972 1 11 . 1 1 47 47 HIS N N 47 118.598 118.598 115.664 2.934 25477 1973 1 11 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.258 4.016 25477 1974 1 11 . 1 1 47 47 HIS H H 47 11.691 11.691 7.629 4.062 25477 1975 1 11 . 1 1 48 48 GLY N N 48 112.155 112.155 106.692 5.463 25477 1976 1 11 . 1 1 48 48 GLY H H 48 8.572 8.572 7.872 0.700 25477 1977 1 11 . 1 1 49 49 LYS N N 49 126.044 126.044 120.594 5.450 25477 1978 1 11 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.389 -1.072 25477 1979 1 11 . 1 1 49 49 LYS H H 49 9.177 9.177 8.382 0.795 25477 1980 1 11 . 1 1 50 50 GLY N N 50 104.401 104.401 106.251 -1.850 25477 1981 1 11 . 1 1 50 50 GLY H H 50 7.684 7.684 7.665 0.019 25477 1982 1 11 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.230 -6.149 25477 1983 1 11 . 1 1 51 51 CYS H H 51 4.993 4.993 8.085 -3.092 25477 1984 1 11 . 1 1 52 52 LYS N N 52 121.643 121.643 122.492 -0.849 25477 1985 1 11 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.685 0.860 25477 1986 1 11 . 1 1 52 52 LYS H H 52 7.729 7.729 8.117 -0.388 25477 1987 1 11 . 1 1 53 53 GLY N N 53 104.830 104.830 108.796 -3.966 25477 1988 1 11 . 1 1 53 53 GLY H H 53 9.306 9.306 8.679 0.627 25477 1989 1 11 . 1 1 54 54 CYS N N 54 118.874 118.874 121.916 -3.042 25477 1990 1 11 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.916 0.499 25477 1991 1 11 . 1 1 54 54 CYS H H 54 6.172 6.172 8.355 -2.183 25477 1992 1 11 . 1 1 55 55 HIS N N 55 119.047 119.047 118.964 0.083 25477 1993 1 11 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.399 4.158 25477 1994 1 11 . 1 1 55 55 HIS H H 55 10.083 10.083 7.591 2.492 25477 1995 1 11 . 1 1 56 56 GLU N N 56 119.125 119.125 117.985 1.140 25477 1996 1 11 . 1 1 56 56 GLU HA H 56 4.780 4.780 3.969 0.811 25477 1997 1 11 . 1 1 56 56 GLU H H 56 9.871 9.871 8.329 1.542 25477 1998 1 11 . 1 1 57 57 GLU N N 57 120.962 120.962 117.274 3.688 25477 1999 1 11 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.209 0.092 25477 2000 1 11 . 1 1 57 57 GLU H H 57 8.337 8.337 7.851 0.486 25477 2001 1 11 . 1 1 58 58 MET N N 58 114.871 114.871 117.817 -2.946 25477 2002 1 11 . 1 1 58 58 MET HA H 58 4.270 4.270 4.258 0.012 25477 2003 1 11 . 1 1 58 58 MET H H 58 9.289 9.289 8.474 0.815 25477 2004 1 11 . 1 1 59 59 LYS N N 59 115.252 115.252 114.045 1.207 25477 2005 1 11 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.014 0.177 25477 2006 1 11 . 1 1 59 59 LYS H H 59 8.157 8.157 8.192 -0.035 25477 2007 1 11 . 1 1 60 60 LYS N N 60 118.225 118.225 118.906 -0.681 25477 2008 1 11 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.510 -0.645 25477 2009 1 11 . 1 1 60 60 LYS H H 60 8.245 8.245 7.601 0.644 25477 2010 1 11 . 1 1 61 61 GLY N N 61 102.395 102.395 110.836 -8.441 25477 2011 1 11 . 1 1 61 61 GLY H H 61 6.115 6.115 8.115 -2.000 25477 2012 1 11 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.808 -0.294 25477 2013 1 11 . 1 1 63 63 THR N N 63 111.336 111.336 111.209 0.127 25477 2014 1 11 . 1 1 63 63 THR HA H 63 4.951 4.951 4.449 0.502 25477 2015 1 11 . 1 1 63 63 THR H H 63 8.757 8.757 8.358 0.399 25477 2016 1 11 . 1 1 64 64 LYS N N 64 123.633 123.633 122.847 0.786 25477 2017 1 11 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.215 -0.214 25477 2018 1 11 . 1 1 64 64 LYS H H 64 8.034 8.034 7.655 0.379 25477 2019 1 11 . 1 1 65 65 CYS N N 65 116.426 116.426 121.829 -5.403 25477 2020 1 11 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.364 -5.749 25477 2021 1 11 . 1 1 65 65 CYS H H 65 6.648 6.648 8.672 -2.024 25477 2022 1 11 . 1 1 66 66 GLY N N 66 102.751 102.751 108.275 -5.524 25477 2023 1 11 . 1 1 66 66 GLY H H 66 8.344 8.344 8.700 -0.356 25477 2024 1 11 . 1 1 67 67 GLU N N 67 115.893 115.893 118.473 -2.580 25477 2025 1 11 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.370 -0.229 25477 2026 1 11 . 1 1 67 67 GLU H H 67 6.998 6.998 8.287 -1.289 25477 2027 1 11 . 1 1 68 68 CYS N N 68 113.306 113.306 116.818 -3.512 25477 2028 1 11 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.541 1.001 25477 2029 1 11 . 1 1 68 68 CYS H H 68 6.644 6.644 8.517 -1.873 25477 2030 1 11 . 1 1 69 69 HIS N N 69 121.421 121.421 118.729 2.692 25477 2031 1 11 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.701 4.813 25477 2032 1 11 . 1 1 69 69 HIS H H 69 11.614 11.614 8.713 2.901 25477 2033 1 11 . 1 1 70 70 LYS N N 70 127.268 127.268 121.667 5.601 25477 2034 1 11 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.677 1.157 25477 2035 1 11 . 1 1 70 70 LYS H H 70 10.287 10.287 8.167 2.120 25477 2036 1 12 . 1 1 2 2 ASP N N 2 124.367 124.367 122.513 1.854 25477 2037 1 12 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.233 3.014 25477 2038 1 12 . 1 1 2 2 ASP H H 2 10.343 10.343 8.674 1.669 25477 2039 1 12 . 1 1 3 3 ASP N N 3 120.501 120.501 121.519 -1.018 25477 2040 1 12 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.925 2.354 25477 2041 1 12 . 1 1 3 3 ASP H H 3 9.546 9.546 8.492 1.054 25477 2042 1 12 . 1 1 4 4 ILE N N 4 123.994 123.994 126.826 -2.832 25477 2043 1 12 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.335 0.764 25477 2044 1 12 . 1 1 4 4 ILE H H 4 10.258 10.258 8.909 1.349 25477 2045 1 12 . 1 1 5 5 VAL N N 5 129.474 129.474 127.690 1.784 25477 2046 1 12 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.566 0.366 25477 2047 1 12 . 1 1 5 5 VAL H H 5 9.384 9.384 8.715 0.669 25477 2048 1 12 . 1 1 6 6 LEU N N 6 132.431 132.431 130.241 2.190 25477 2049 1 12 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.379 0.163 25477 2050 1 12 . 1 1 6 6 LEU H H 6 9.655 9.655 7.845 1.810 25477 2051 1 12 . 1 1 7 7 LYS N N 7 124.598 124.598 123.549 1.049 25477 2052 1 12 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.052 0.895 25477 2053 1 12 . 1 1 7 7 LYS H H 7 8.556 8.556 7.535 1.021 25477 2054 1 12 . 1 1 8 8 ALA N N 8 124.683 124.683 125.991 -1.308 25477 2055 1 12 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.587 0.195 25477 2056 1 12 . 1 1 8 8 ALA H H 8 10.136 10.136 8.100 2.036 25477 2057 1 12 . 1 1 9 9 LYS N N 9 125.212 125.212 122.509 2.703 25477 2058 1 12 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.161 0.176 25477 2059 1 12 . 1 1 9 9 LYS H H 9 10.009 10.009 8.678 1.331 25477 2060 1 12 . 1 1 10 10 ASN N N 10 114.864 114.864 115.706 -0.842 25477 2061 1 12 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.879 0.228 25477 2062 1 12 . 1 1 10 10 ASN H H 10 9.692 9.692 7.798 1.894 25477 2063 1 12 . 1 1 11 11 GLY N N 11 113.592 113.592 109.968 3.624 25477 2064 1 12 . 1 1 11 11 GLY H H 11 9.484 9.484 7.785 1.699 25477 2065 1 12 . 1 1 12 12 ASP N N 12 133.500 133.500 121.563 11.937 25477 2066 1 12 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.677 2.309 25477 2067 1 12 . 1 1 12 12 ASP H H 12 10.354 10.354 8.422 1.932 25477 2068 1 12 . 1 1 13 13 VAL N N 13 122.888 122.888 117.585 5.303 25477 2069 1 12 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.793 1.971 25477 2070 1 12 . 1 1 13 13 VAL H H 13 10.729 10.729 8.132 2.597 25477 2071 1 12 . 1 1 14 14 LYS N N 14 130.045 130.045 128.411 1.634 25477 2072 1 12 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.333 0.741 25477 2073 1 12 . 1 1 14 14 LYS H H 14 9.987 9.987 8.561 1.426 25477 2074 1 12 . 1 1 15 15 PHE N N 15 126.228 126.228 126.004 0.224 25477 2075 1 12 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.845 0.970 25477 2076 1 12 . 1 1 15 15 PHE H H 15 9.869 9.869 8.069 1.800 25477 2077 1 12 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.605 2.780 25477 2078 1 12 . 1 1 17 17 HIS N N 17 138.291 138.291 126.679 11.612 25477 2079 1 12 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.661 4.716 25477 2080 1 12 . 1 1 17 17 HIS H H 17 11.607 11.607 7.987 3.620 25477 2081 1 12 . 1 1 18 18 LYS N N 18 126.220 126.220 119.735 6.485 25477 2082 1 12 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.929 3.518 25477 2083 1 12 . 1 1 18 18 LYS H H 18 12.968 12.968 8.021 4.947 25477 2084 1 12 . 1 1 19 19 ALA N N 19 124.418 124.418 120.576 3.842 25477 2085 1 12 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.086 1.492 25477 2086 1 12 . 1 1 19 19 ALA H H 19 10.987 10.987 8.341 2.646 25477 2087 1 12 . 1 1 20 20 HIS N N 20 118.446 118.446 115.052 3.394 25477 2088 1 12 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.505 3.419 25477 2089 1 12 . 1 1 20 20 HIS H H 20 12.109 12.109 8.258 3.851 25477 2090 1 12 . 1 1 21 21 GLN N N 21 121.637 121.637 116.826 4.811 25477 2091 1 12 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.324 -0.568 25477 2092 1 12 . 1 1 21 21 GLN H H 21 9.883 9.883 7.480 2.403 25477 2093 1 12 . 1 1 22 22 LYS N N 22 117.108 117.108 117.702 -0.594 25477 2094 1 12 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.448 -0.000 25477 2095 1 12 . 1 1 22 22 LYS H H 22 8.086 8.086 7.661 0.425 25477 2096 1 12 . 1 1 23 23 ALA N N 23 119.728 119.728 121.304 -1.576 25477 2097 1 12 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.497 -0.121 25477 2098 1 12 . 1 1 23 23 ALA H H 23 8.047 8.047 7.701 0.346 25477 2099 1 12 . 1 1 24 24 VAL N N 24 118.949 118.949 117.720 1.229 25477 2100 1 12 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.546 -0.722 25477 2101 1 12 . 1 1 24 24 VAL H H 24 8.394 8.394 7.896 0.498 25477 2102 1 12 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.180 0.043 25477 2103 1 12 . 1 1 26 26 ASP N N 26 118.341 118.341 118.514 -0.173 25477 2104 1 12 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.669 -0.270 25477 2105 1 12 . 1 1 26 26 ASP H H 26 7.169 7.169 8.085 -0.916 25477 2106 1 12 . 1 1 27 27 CYS N N 27 124.578 124.578 122.903 1.675 25477 2107 1 12 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.272 -2.226 25477 2108 1 12 . 1 1 27 27 CYS H H 27 7.468 7.468 8.207 -0.739 25477 2109 1 12 . 1 1 28 28 LYS N N 28 115.097 115.097 117.858 -2.761 25477 2110 1 12 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.177 1.337 25477 2111 1 12 . 1 1 28 28 LYS H H 28 8.329 8.329 8.701 -0.372 25477 2112 1 12 . 1 1 29 29 LYS N N 29 118.552 118.552 119.762 -1.210 25477 2113 1 12 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.109 -0.322 25477 2114 1 12 . 1 1 29 29 LYS H H 29 7.449 7.449 8.333 -0.884 25477 2115 1 12 . 1 1 30 30 CYS N N 30 111.091 111.091 114.774 -3.683 25477 2116 1 12 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.499 -0.100 25477 2117 1 12 . 1 1 30 30 CYS H H 30 6.636 6.636 8.415 -1.779 25477 2118 1 12 . 1 1 31 31 HIS N N 31 122.497 122.497 119.143 3.354 25477 2119 1 12 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.501 5.730 25477 2120 1 12 . 1 1 31 31 HIS H H 31 11.948 11.948 8.076 3.872 25477 2121 1 12 . 1 1 32 32 GLU N N 32 128.508 128.508 116.639 11.869 25477 2122 1 12 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.043 1.104 25477 2123 1 12 . 1 1 32 32 GLU H H 32 10.401 10.401 8.737 1.664 25477 2124 1 12 . 1 1 33 33 LYS N N 33 117.199 117.199 120.374 -3.175 25477 2125 1 12 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.315 0.989 25477 2126 1 12 . 1 1 33 33 LYS H H 33 10.277 10.277 8.325 1.952 25477 2127 1 12 . 1 1 34 34 GLY N N 34 109.000 109.000 108.910 0.090 25477 2128 1 12 . 1 1 34 34 GLY H H 34 8.997 8.997 7.802 1.195 25477 2129 1 12 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.633 2.604 25477 2130 1 12 . 1 1 37 37 LYS N N 37 118.406 118.406 120.214 -1.808 25477 2131 1 12 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.042 -1.236 25477 2132 1 12 . 1 1 37 37 LYS H H 37 7.501 7.501 8.364 -0.863 25477 2133 1 12 . 1 1 38 38 ILE N N 38 128.016 128.016 124.174 3.842 25477 2134 1 12 . 1 1 38 38 ILE HA H 38 5.325 5.325 3.929 1.396 25477 2135 1 12 . 1 1 38 38 ILE H H 38 9.561 9.561 8.102 1.459 25477 2136 1 12 . 1 1 39 39 GLU N N 39 131.257 131.257 126.839 4.418 25477 2137 1 12 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.100 -0.052 25477 2138 1 12 . 1 1 39 39 GLU H H 39 9.317 9.317 8.762 0.555 25477 2139 1 12 . 1 1 40 40 GLY N N 40 112.897 112.897 112.557 0.340 25477 2140 1 12 . 1 1 40 40 GLY H H 40 8.977 8.977 8.175 0.802 25477 2141 1 12 . 1 1 41 41 PHE N N 41 121.371 121.371 123.277 -1.906 25477 2142 1 12 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.270 -0.729 25477 2143 1 12 . 1 1 41 41 PHE H H 41 7.595 7.595 7.709 -0.114 25477 2144 1 12 . 1 1 42 42 GLY H H 42 4.698 4.698 7.170 -2.472 25477 2145 1 12 . 1 1 43 43 LYS N N 43 121.161 121.161 120.601 0.560 25477 2146 1 12 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.063 -4.181 25477 2147 1 12 . 1 1 43 43 LYS H H 43 7.221 7.221 8.515 -1.294 25477 2148 1 12 . 1 1 44 44 GLU N N 44 117.347 117.347 119.376 -2.029 25477 2149 1 12 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.041 2.087 25477 2150 1 12 . 1 1 44 44 GLU H H 44 8.811 8.811 8.739 0.072 25477 2151 1 12 . 1 1 45 45 MET N N 45 119.032 119.032 117.231 1.801 25477 2152 1 12 . 1 1 45 45 MET HA H 45 4.195 4.195 4.101 0.094 25477 2153 1 12 . 1 1 45 45 MET H H 45 8.202 8.202 7.747 0.455 25477 2154 1 12 . 1 1 46 46 ALA N N 46 120.454 120.454 121.897 -1.443 25477 2155 1 12 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.780 -2.052 25477 2156 1 12 . 1 1 46 46 ALA H H 46 7.585 7.585 7.572 0.013 25477 2157 1 12 . 1 1 47 47 HIS N N 47 118.598 118.598 116.345 2.253 25477 2158 1 12 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.278 3.996 25477 2159 1 12 . 1 1 47 47 HIS H H 47 11.691 11.691 7.556 4.135 25477 2160 1 12 . 1 1 48 48 GLY N N 48 112.155 112.155 107.117 5.038 25477 2161 1 12 . 1 1 48 48 GLY H H 48 8.572 8.572 7.219 1.353 25477 2162 1 12 . 1 1 49 49 LYS N N 49 126.044 126.044 121.558 4.486 25477 2163 1 12 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.327 -1.010 25477 2164 1 12 . 1 1 49 49 LYS H H 49 9.177 9.177 8.338 0.839 25477 2165 1 12 . 1 1 50 50 GLY N N 50 104.401 104.401 105.320 -0.919 25477 2166 1 12 . 1 1 50 50 GLY H H 50 7.684 7.684 7.614 0.070 25477 2167 1 12 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.146 -6.065 25477 2168 1 12 . 1 1 51 51 CYS H H 51 4.993 4.993 8.219 -3.226 25477 2169 1 12 . 1 1 52 52 LYS N N 52 121.643 121.643 122.147 -0.504 25477 2170 1 12 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.681 0.864 25477 2171 1 12 . 1 1 52 52 LYS H H 52 7.729 7.729 7.927 -0.198 25477 2172 1 12 . 1 1 53 53 GLY N N 53 104.830 104.830 108.855 -4.025 25477 2173 1 12 . 1 1 53 53 GLY H H 53 9.306 9.306 8.742 0.564 25477 2174 1 12 . 1 1 54 54 CYS N N 54 118.874 118.874 121.343 -2.469 25477 2175 1 12 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.971 0.444 25477 2176 1 12 . 1 1 54 54 CYS H H 54 6.172 6.172 8.118 -1.946 25477 2177 1 12 . 1 1 55 55 HIS N N 55 119.047 119.047 119.057 -0.010 25477 2178 1 12 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.385 4.172 25477 2179 1 12 . 1 1 55 55 HIS H H 55 10.083 10.083 7.962 2.121 25477 2180 1 12 . 1 1 56 56 GLU N N 56 119.125 119.125 118.805 0.320 25477 2181 1 12 . 1 1 56 56 GLU HA H 56 4.780 4.780 3.972 0.808 25477 2182 1 12 . 1 1 56 56 GLU H H 56 9.871 9.871 8.368 1.503 25477 2183 1 12 . 1 1 57 57 GLU N N 57 120.962 120.962 118.962 2.000 25477 2184 1 12 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.200 0.101 25477 2185 1 12 . 1 1 57 57 GLU H H 57 8.337 8.337 7.999 0.338 25477 2186 1 12 . 1 1 58 58 MET N N 58 114.871 114.871 117.277 -2.406 25477 2187 1 12 . 1 1 58 58 MET HA H 58 4.270 4.270 4.235 0.035 25477 2188 1 12 . 1 1 58 58 MET H H 58 9.289 9.289 8.397 0.892 25477 2189 1 12 . 1 1 59 59 LYS N N 59 115.252 115.252 113.591 1.661 25477 2190 1 12 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.995 0.196 25477 2191 1 12 . 1 1 59 59 LYS H H 59 8.157 8.157 8.305 -0.147 25477 2192 1 12 . 1 1 60 60 LYS N N 60 118.225 118.225 117.438 0.787 25477 2193 1 12 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.568 -0.703 25477 2194 1 12 . 1 1 60 60 LYS H H 60 8.245 8.245 7.477 0.768 25477 2195 1 12 . 1 1 61 61 GLY N N 61 102.395 102.395 109.200 -6.805 25477 2196 1 12 . 1 1 61 61 GLY H H 61 6.115 6.115 8.276 -2.161 25477 2197 1 12 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.714 -0.200 25477 2198 1 12 . 1 1 63 63 THR N N 63 111.336 111.336 111.754 -0.418 25477 2199 1 12 . 1 1 63 63 THR HA H 63 4.951 4.951 4.434 0.517 25477 2200 1 12 . 1 1 63 63 THR H H 63 8.757 8.757 8.209 0.548 25477 2201 1 12 . 1 1 64 64 LYS N N 64 123.633 123.633 123.023 0.610 25477 2202 1 12 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.320 -0.319 25477 2203 1 12 . 1 1 64 64 LYS H H 64 8.034 8.034 8.279 -0.245 25477 2204 1 12 . 1 1 65 65 CYS N N 65 116.426 116.426 119.804 -3.378 25477 2205 1 12 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.435 -5.820 25477 2206 1 12 . 1 1 65 65 CYS H H 65 6.648 6.648 8.785 -2.137 25477 2207 1 12 . 1 1 66 66 GLY N N 66 102.751 102.751 108.907 -6.156 25477 2208 1 12 . 1 1 66 66 GLY H H 66 8.344 8.344 8.753 -0.409 25477 2209 1 12 . 1 1 67 67 GLU N N 67 115.893 115.893 118.778 -2.885 25477 2210 1 12 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.377 -0.236 25477 2211 1 12 . 1 1 67 67 GLU H H 67 6.998 6.998 8.265 -1.267 25477 2212 1 12 . 1 1 68 68 CYS N N 68 113.306 113.306 116.858 -3.552 25477 2213 1 12 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.409 1.133 25477 2214 1 12 . 1 1 68 68 CYS H H 68 6.644 6.644 8.330 -1.686 25477 2215 1 12 . 1 1 69 69 HIS N N 69 121.421 121.421 118.445 2.976 25477 2216 1 12 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.539 4.975 25477 2217 1 12 . 1 1 69 69 HIS H H 69 11.614 11.614 8.771 2.843 25477 2218 1 12 . 1 1 70 70 LYS N N 70 127.268 127.268 122.636 4.632 25477 2219 1 12 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.712 1.122 25477 2220 1 12 . 1 1 70 70 LYS H H 70 10.287 10.287 8.014 2.273 25477 2221 1 13 . 1 1 2 2 ASP N N 2 124.367 124.367 120.702 3.665 25477 2222 1 13 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.259 2.988 25477 2223 1 13 . 1 1 2 2 ASP H H 2 10.343 10.343 8.748 1.595 25477 2224 1 13 . 1 1 3 3 ASP N N 3 120.501 120.501 120.008 0.493 25477 2225 1 13 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.942 2.337 25477 2226 1 13 . 1 1 3 3 ASP H H 3 9.546 9.546 8.437 1.109 25477 2227 1 13 . 1 1 4 4 ILE N N 4 123.994 123.994 123.391 0.603 25477 2228 1 13 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.333 0.766 25477 2229 1 13 . 1 1 4 4 ILE H H 4 10.258 10.258 8.417 1.841 25477 2230 1 13 . 1 1 5 5 VAL N N 5 129.474 129.474 127.724 1.750 25477 2231 1 13 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.431 0.501 25477 2232 1 13 . 1 1 5 5 VAL H H 5 9.384 9.384 8.736 0.648 25477 2233 1 13 . 1 1 6 6 LEU N N 6 132.431 132.431 130.245 2.186 25477 2234 1 13 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.520 0.022 25477 2235 1 13 . 1 1 6 6 LEU H H 6 9.655 9.655 8.379 1.276 25477 2236 1 13 . 1 1 7 7 LYS N N 7 124.598 124.598 121.081 3.517 25477 2237 1 13 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.240 0.707 25477 2238 1 13 . 1 1 7 7 LYS H H 7 8.556 8.556 7.829 0.727 25477 2239 1 13 . 1 1 8 8 ALA N N 8 124.683 124.683 126.291 -1.608 25477 2240 1 13 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.515 0.267 25477 2241 1 13 . 1 1 8 8 ALA H H 8 10.136 10.136 8.035 2.101 25477 2242 1 13 . 1 1 9 9 LYS N N 9 125.212 125.212 118.990 6.222 25477 2243 1 13 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.170 0.167 25477 2244 1 13 . 1 1 9 9 LYS H H 9 10.009 10.009 8.471 1.538 25477 2245 1 13 . 1 1 10 10 ASN N N 10 114.864 114.864 118.247 -3.383 25477 2246 1 13 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.735 0.372 25477 2247 1 13 . 1 1 10 10 ASN H H 10 9.692 9.692 7.975 1.717 25477 2248 1 13 . 1 1 11 11 GLY N N 11 113.592 113.592 110.725 2.867 25477 2249 1 13 . 1 1 11 11 GLY H H 11 9.484 9.484 7.712 1.772 25477 2250 1 13 . 1 1 12 12 ASP N N 12 133.500 133.500 121.694 11.806 25477 2251 1 13 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.737 2.249 25477 2252 1 13 . 1 1 12 12 ASP H H 12 10.354 10.354 8.490 1.864 25477 2253 1 13 . 1 1 13 13 VAL N N 13 122.888 122.888 119.349 3.539 25477 2254 1 13 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.910 1.854 25477 2255 1 13 . 1 1 13 13 VAL H H 13 10.729 10.729 8.086 2.643 25477 2256 1 13 . 1 1 14 14 LYS N N 14 130.045 130.045 128.835 1.210 25477 2257 1 13 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.493 0.581 25477 2258 1 13 . 1 1 14 14 LYS H H 14 9.987 9.987 8.249 1.738 25477 2259 1 13 . 1 1 15 15 PHE N N 15 126.228 126.228 126.143 0.085 25477 2260 1 13 . 1 1 15 15 PHE HA H 15 5.815 5.815 5.019 0.796 25477 2261 1 13 . 1 1 15 15 PHE H H 15 9.869 9.869 8.223 1.646 25477 2262 1 13 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.589 2.796 25477 2263 1 13 . 1 1 17 17 HIS N N 17 138.291 138.291 126.258 12.033 25477 2264 1 13 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.671 4.706 25477 2265 1 13 . 1 1 17 17 HIS H H 17 11.607 11.607 8.118 3.489 25477 2266 1 13 . 1 1 18 18 LYS N N 18 126.220 126.220 119.802 6.418 25477 2267 1 13 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.889 3.558 25477 2268 1 13 . 1 1 18 18 LYS H H 18 12.968 12.968 7.953 5.015 25477 2269 1 13 . 1 1 19 19 ALA N N 19 124.418 124.418 120.632 3.786 25477 2270 1 13 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.140 1.438 25477 2271 1 13 . 1 1 19 19 ALA H H 19 10.987 10.987 8.336 2.651 25477 2272 1 13 . 1 1 20 20 HIS N N 20 118.446 118.446 115.985 2.461 25477 2273 1 13 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.584 3.340 25477 2274 1 13 . 1 1 20 20 HIS H H 20 12.109 12.109 7.993 4.116 25477 2275 1 13 . 1 1 21 21 GLN N N 21 121.637 121.637 117.461 4.176 25477 2276 1 13 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.344 -0.588 25477 2277 1 13 . 1 1 21 21 GLN H H 21 9.883 9.883 7.381 2.502 25477 2278 1 13 . 1 1 22 22 LYS N N 22 117.108 117.108 118.810 -1.702 25477 2279 1 13 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.485 -0.037 25477 2280 1 13 . 1 1 22 22 LYS H H 22 8.086 8.086 7.828 0.258 25477 2281 1 13 . 1 1 23 23 ALA N N 23 119.728 119.728 121.620 -1.892 25477 2282 1 13 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.448 -0.072 25477 2283 1 13 . 1 1 23 23 ALA H H 23 8.047 8.047 8.191 -0.144 25477 2284 1 13 . 1 1 24 24 VAL N N 24 118.949 118.949 116.916 2.033 25477 2285 1 13 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.490 -0.666 25477 2286 1 13 . 1 1 24 24 VAL H H 24 8.394 8.394 7.531 0.863 25477 2287 1 13 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.220 0.003 25477 2288 1 13 . 1 1 26 26 ASP N N 26 118.341 118.341 115.398 2.943 25477 2289 1 13 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.739 -0.340 25477 2290 1 13 . 1 1 26 26 ASP H H 26 7.169 7.169 7.807 -0.638 25477 2291 1 13 . 1 1 27 27 CYS N N 27 124.578 124.578 125.270 -0.692 25477 2292 1 13 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.149 -2.103 25477 2293 1 13 . 1 1 27 27 CYS H H 27 7.468 7.468 9.006 -1.538 25477 2294 1 13 . 1 1 28 28 LYS N N 28 115.097 115.097 119.099 -4.002 25477 2295 1 13 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.272 1.242 25477 2296 1 13 . 1 1 28 28 LYS H H 28 8.329 8.329 8.172 0.157 25477 2297 1 13 . 1 1 29 29 LYS N N 29 118.552 118.552 119.642 -1.090 25477 2298 1 13 . 1 1 29 29 LYS HA H 29 3.787 3.787 3.982 -0.195 25477 2299 1 13 . 1 1 29 29 LYS H H 29 7.449 7.449 8.352 -0.903 25477 2300 1 13 . 1 1 30 30 CYS N N 30 111.091 111.091 112.950 -1.859 25477 2301 1 13 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.545 -0.146 25477 2302 1 13 . 1 1 30 30 CYS H H 30 6.636 6.636 7.625 -0.989 25477 2303 1 13 . 1 1 31 31 HIS N N 31 122.497 122.497 120.140 2.357 25477 2304 1 13 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.874 5.357 25477 2305 1 13 . 1 1 31 31 HIS H H 31 11.948 11.948 8.017 3.931 25477 2306 1 13 . 1 1 32 32 GLU N N 32 128.508 128.508 121.237 7.271 25477 2307 1 13 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.030 1.117 25477 2308 1 13 . 1 1 32 32 GLU H H 32 10.401 10.401 7.907 2.494 25477 2309 1 13 . 1 1 33 33 LYS N N 33 117.199 117.199 118.379 -1.180 25477 2310 1 13 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.345 0.959 25477 2311 1 13 . 1 1 33 33 LYS H H 33 10.277 10.277 8.360 1.917 25477 2312 1 13 . 1 1 34 34 GLY N N 34 109.000 109.000 104.781 4.219 25477 2313 1 13 . 1 1 34 34 GLY H H 34 8.997 8.997 7.895 1.102 25477 2314 1 13 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.909 2.328 25477 2315 1 13 . 1 1 37 37 LYS N N 37 118.406 118.406 120.327 -1.921 25477 2316 1 13 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.066 -1.260 25477 2317 1 13 . 1 1 37 37 LYS H H 37 7.501 7.501 8.310 -0.809 25477 2318 1 13 . 1 1 38 38 ILE N N 38 128.016 128.016 124.442 3.574 25477 2319 1 13 . 1 1 38 38 ILE HA H 38 5.325 5.325 3.939 1.386 25477 2320 1 13 . 1 1 38 38 ILE H H 38 9.561 9.561 8.198 1.363 25477 2321 1 13 . 1 1 39 39 GLU N N 39 131.257 131.257 127.864 3.393 25477 2322 1 13 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.090 -0.042 25477 2323 1 13 . 1 1 39 39 GLU H H 39 9.317 9.317 8.773 0.544 25477 2324 1 13 . 1 1 40 40 GLY N N 40 112.897 112.897 111.959 0.938 25477 2325 1 13 . 1 1 40 40 GLY H H 40 8.977 8.977 8.418 0.559 25477 2326 1 13 . 1 1 41 41 PHE N N 41 121.371 121.371 125.607 -4.236 25477 2327 1 13 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.273 -0.732 25477 2328 1 13 . 1 1 41 41 PHE H H 41 7.595 7.595 8.276 -0.681 25477 2329 1 13 . 1 1 42 42 GLY H H 42 4.698 4.698 7.231 -2.533 25477 2330 1 13 . 1 1 43 43 LYS N N 43 121.161 121.161 120.679 0.482 25477 2331 1 13 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.137 -4.255 25477 2332 1 13 . 1 1 43 43 LYS H H 43 7.221 7.221 8.430 -1.209 25477 2333 1 13 . 1 1 44 44 GLU N N 44 117.347 117.347 119.745 -2.398 25477 2334 1 13 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.093 2.035 25477 2335 1 13 . 1 1 44 44 GLU H H 44 8.811 8.811 8.569 0.242 25477 2336 1 13 . 1 1 45 45 MET N N 45 119.032 119.032 116.088 2.944 25477 2337 1 13 . 1 1 45 45 MET HA H 45 4.195 4.195 4.057 0.138 25477 2338 1 13 . 1 1 45 45 MET H H 45 8.202 8.202 7.833 0.369 25477 2339 1 13 . 1 1 46 46 ALA N N 46 120.454 120.454 121.879 -1.425 25477 2340 1 13 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.800 -2.072 25477 2341 1 13 . 1 1 46 46 ALA H H 46 7.585 7.585 7.794 -0.209 25477 2342 1 13 . 1 1 47 47 HIS N N 47 118.598 118.598 115.882 2.716 25477 2343 1 13 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.324 3.950 25477 2344 1 13 . 1 1 47 47 HIS H H 47 11.691 11.691 7.551 4.140 25477 2345 1 13 . 1 1 48 48 GLY N N 48 112.155 112.155 108.036 4.119 25477 2346 1 13 . 1 1 48 48 GLY H H 48 8.572 8.572 7.348 1.224 25477 2347 1 13 . 1 1 49 49 LYS N N 49 126.044 126.044 121.313 4.731 25477 2348 1 13 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.335 -1.018 25477 2349 1 13 . 1 1 49 49 LYS H H 49 9.177 9.177 8.351 0.826 25477 2350 1 13 . 1 1 50 50 GLY N N 50 104.401 104.401 106.044 -1.643 25477 2351 1 13 . 1 1 50 50 GLY H H 50 7.684 7.684 7.682 0.002 25477 2352 1 13 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.152 -6.071 25477 2353 1 13 . 1 1 51 51 CYS H H 51 4.993 4.993 8.242 -3.249 25477 2354 1 13 . 1 1 52 52 LYS N N 52 121.643 121.643 121.995 -0.352 25477 2355 1 13 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.732 0.813 25477 2356 1 13 . 1 1 52 52 LYS H H 52 7.729 7.729 8.018 -0.289 25477 2357 1 13 . 1 1 53 53 GLY N N 53 104.830 104.830 109.128 -4.298 25477 2358 1 13 . 1 1 53 53 GLY H H 53 9.306 9.306 8.809 0.497 25477 2359 1 13 . 1 1 54 54 CYS N N 54 118.874 118.874 122.578 -3.704 25477 2360 1 13 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.961 0.454 25477 2361 1 13 . 1 1 54 54 CYS H H 54 6.172 6.172 8.321 -2.149 25477 2362 1 13 . 1 1 55 55 HIS N N 55 119.047 119.047 119.070 -0.023 25477 2363 1 13 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.429 4.128 25477 2364 1 13 . 1 1 55 55 HIS H H 55 10.083 10.083 7.980 2.103 25477 2365 1 13 . 1 1 56 56 GLU N N 56 119.125 119.125 117.871 1.254 25477 2366 1 13 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.093 0.687 25477 2367 1 13 . 1 1 56 56 GLU H H 56 9.871 9.871 8.065 1.806 25477 2368 1 13 . 1 1 57 57 GLU N N 57 120.962 120.962 118.623 2.339 25477 2369 1 13 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.205 0.096 25477 2370 1 13 . 1 1 57 57 GLU H H 57 8.337 8.337 8.138 0.199 25477 2371 1 13 . 1 1 58 58 MET N N 58 114.871 114.871 117.609 -2.738 25477 2372 1 13 . 1 1 58 58 MET HA H 58 4.270 4.270 4.253 0.017 25477 2373 1 13 . 1 1 58 58 MET H H 58 9.289 9.289 8.454 0.835 25477 2374 1 13 . 1 1 59 59 LYS N N 59 115.252 115.252 113.505 1.747 25477 2375 1 13 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.978 0.213 25477 2376 1 13 . 1 1 59 59 LYS H H 59 8.157 8.157 8.028 0.129 25477 2377 1 13 . 1 1 60 60 LYS N N 60 118.225 118.225 117.580 0.645 25477 2378 1 13 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.576 -0.711 25477 2379 1 13 . 1 1 60 60 LYS H H 60 8.245 8.245 7.543 0.702 25477 2380 1 13 . 1 1 61 61 GLY N N 61 102.395 102.395 109.294 -6.899 25477 2381 1 13 . 1 1 61 61 GLY H H 61 6.115 6.115 8.274 -2.159 25477 2382 1 13 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.761 -0.247 25477 2383 1 13 . 1 1 63 63 THR N N 63 111.336 111.336 111.672 -0.336 25477 2384 1 13 . 1 1 63 63 THR HA H 63 4.951 4.951 4.453 0.498 25477 2385 1 13 . 1 1 63 63 THR H H 63 8.757 8.757 8.434 0.323 25477 2386 1 13 . 1 1 64 64 LYS N N 64 123.633 123.633 122.861 0.772 25477 2387 1 13 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.323 -0.322 25477 2388 1 13 . 1 1 64 64 LYS H H 64 8.034 8.034 7.913 0.121 25477 2389 1 13 . 1 1 65 65 CYS N N 65 116.426 116.426 119.947 -3.521 25477 2390 1 13 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.446 -5.831 25477 2391 1 13 . 1 1 65 65 CYS H H 65 6.648 6.648 8.771 -2.123 25477 2392 1 13 . 1 1 66 66 GLY N N 66 102.751 102.751 108.623 -5.872 25477 2393 1 13 . 1 1 66 66 GLY H H 66 8.344 8.344 8.763 -0.419 25477 2394 1 13 . 1 1 67 67 GLU N N 67 115.893 115.893 119.014 -3.121 25477 2395 1 13 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.329 -0.188 25477 2396 1 13 . 1 1 67 67 GLU H H 67 6.998 6.998 8.313 -1.315 25477 2397 1 13 . 1 1 68 68 CYS N N 68 113.306 113.306 115.958 -2.652 25477 2398 1 13 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.443 1.099 25477 2399 1 13 . 1 1 68 68 CYS H H 68 6.644 6.644 8.465 -1.821 25477 2400 1 13 . 1 1 69 69 HIS N N 69 121.421 121.421 119.219 2.202 25477 2401 1 13 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.623 4.891 25477 2402 1 13 . 1 1 69 69 HIS H H 69 11.614 11.614 8.799 2.815 25477 2403 1 13 . 1 1 70 70 LYS N N 70 127.268 127.268 123.946 3.322 25477 2404 1 13 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.714 1.120 25477 2405 1 13 . 1 1 70 70 LYS H H 70 10.287 10.287 8.010 2.277 25477 2406 1 14 . 1 1 2 2 ASP N N 2 124.367 124.367 118.204 6.163 25477 2407 1 14 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.740 2.507 25477 2408 1 14 . 1 1 2 2 ASP H H 2 10.343 10.343 8.306 2.037 25477 2409 1 14 . 1 1 3 3 ASP N N 3 120.501 120.501 119.629 0.872 25477 2410 1 14 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.876 2.403 25477 2411 1 14 . 1 1 3 3 ASP H H 3 9.546 9.546 8.020 1.526 25477 2412 1 14 . 1 1 4 4 ILE N N 4 123.994 123.994 124.491 -0.497 25477 2413 1 14 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.371 0.728 25477 2414 1 14 . 1 1 4 4 ILE H H 4 10.258 10.258 9.074 1.184 25477 2415 1 14 . 1 1 5 5 VAL N N 5 129.474 129.474 127.718 1.756 25477 2416 1 14 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.702 0.230 25477 2417 1 14 . 1 1 5 5 VAL H H 5 9.384 9.384 8.715 0.669 25477 2418 1 14 . 1 1 6 6 LEU N N 6 132.431 132.431 129.473 2.958 25477 2419 1 14 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.620 -0.078 25477 2420 1 14 . 1 1 6 6 LEU H H 6 9.655 9.655 8.155 1.500 25477 2421 1 14 . 1 1 7 7 LYS N N 7 124.598 124.598 124.902 -0.304 25477 2422 1 14 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.063 0.884 25477 2423 1 14 . 1 1 7 7 LYS H H 7 8.556 8.556 8.054 0.502 25477 2424 1 14 . 1 1 8 8 ALA N N 8 124.683 124.683 126.314 -1.631 25477 2425 1 14 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.658 0.124 25477 2426 1 14 . 1 1 8 8 ALA H H 8 10.136 10.136 8.135 2.001 25477 2427 1 14 . 1 1 9 9 LYS N N 9 125.212 125.212 120.752 4.460 25477 2428 1 14 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.305 0.032 25477 2429 1 14 . 1 1 9 9 LYS H H 9 10.009 10.009 8.568 1.441 25477 2430 1 14 . 1 1 10 10 ASN N N 10 114.864 114.864 117.627 -2.763 25477 2431 1 14 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.744 0.363 25477 2432 1 14 . 1 1 10 10 ASN H H 10 9.692 9.692 8.036 1.656 25477 2433 1 14 . 1 1 11 11 GLY N N 11 113.592 113.592 109.519 4.073 25477 2434 1 14 . 1 1 11 11 GLY H H 11 9.484 9.484 8.202 1.282 25477 2435 1 14 . 1 1 12 12 ASP N N 12 133.500 133.500 122.736 10.764 25477 2436 1 14 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.749 2.237 25477 2437 1 14 . 1 1 12 12 ASP H H 12 10.354 10.354 8.422 1.932 25477 2438 1 14 . 1 1 13 13 VAL N N 13 122.888 122.888 117.348 5.540 25477 2439 1 14 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.884 1.880 25477 2440 1 14 . 1 1 13 13 VAL H H 13 10.729 10.729 8.040 2.689 25477 2441 1 14 . 1 1 14 14 LYS N N 14 130.045 130.045 126.681 3.364 25477 2442 1 14 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.561 0.513 25477 2443 1 14 . 1 1 14 14 LYS H H 14 9.987 9.987 8.655 1.332 25477 2444 1 14 . 1 1 15 15 PHE N N 15 126.228 126.228 125.894 0.334 25477 2445 1 14 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.977 0.838 25477 2446 1 14 . 1 1 15 15 PHE H H 15 9.869 9.869 8.296 1.573 25477 2447 1 14 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.791 2.594 25477 2448 1 14 . 1 1 17 17 HIS N N 17 138.291 138.291 126.852 11.439 25477 2449 1 14 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.738 4.639 25477 2450 1 14 . 1 1 17 17 HIS H H 17 11.607 11.607 8.187 3.420 25477 2451 1 14 . 1 1 18 18 LYS N N 18 126.220 126.220 119.245 6.975 25477 2452 1 14 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.994 3.453 25477 2453 1 14 . 1 1 18 18 LYS H H 18 12.968 12.968 7.929 5.039 25477 2454 1 14 . 1 1 19 19 ALA N N 19 124.418 124.418 121.183 3.235 25477 2455 1 14 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.188 1.390 25477 2456 1 14 . 1 1 19 19 ALA H H 19 10.987 10.987 7.527 3.460 25477 2457 1 14 . 1 1 20 20 HIS N N 20 118.446 118.446 115.788 2.658 25477 2458 1 14 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.472 3.452 25477 2459 1 14 . 1 1 20 20 HIS H H 20 12.109 12.109 7.951 4.158 25477 2460 1 14 . 1 1 21 21 GLN N N 21 121.637 121.637 116.140 5.497 25477 2461 1 14 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.358 -0.602 25477 2462 1 14 . 1 1 21 21 GLN H H 21 9.883 9.883 7.277 2.606 25477 2463 1 14 . 1 1 22 22 LYS N N 22 117.108 117.108 118.507 -1.399 25477 2464 1 14 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.415 0.033 25477 2465 1 14 . 1 1 22 22 LYS H H 22 8.086 8.086 7.558 0.528 25477 2466 1 14 . 1 1 23 23 ALA N N 23 119.728 119.728 121.124 -1.396 25477 2467 1 14 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.540 -0.164 25477 2468 1 14 . 1 1 23 23 ALA H H 23 8.047 8.047 7.763 0.284 25477 2469 1 14 . 1 1 24 24 VAL N N 24 118.949 118.949 117.574 1.375 25477 2470 1 14 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.438 -0.614 25477 2471 1 14 . 1 1 24 24 VAL H H 24 8.394 8.394 7.534 0.860 25477 2472 1 14 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.195 0.028 25477 2473 1 14 . 1 1 26 26 ASP N N 26 118.341 118.341 115.883 2.458 25477 2474 1 14 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.620 -0.221 25477 2475 1 14 . 1 1 26 26 ASP H H 26 7.169 7.169 7.704 -0.535 25477 2476 1 14 . 1 1 27 27 CYS N N 27 124.578 124.578 122.421 2.157 25477 2477 1 14 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.234 -2.188 25477 2478 1 14 . 1 1 27 27 CYS H H 27 7.468 7.468 8.374 -0.906 25477 2479 1 14 . 1 1 28 28 LYS N N 28 115.097 115.097 117.282 -2.185 25477 2480 1 14 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.001 1.513 25477 2481 1 14 . 1 1 28 28 LYS H H 28 8.329 8.329 8.786 -0.457 25477 2482 1 14 . 1 1 29 29 LYS N N 29 118.552 118.552 118.972 -0.420 25477 2483 1 14 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.227 -0.440 25477 2484 1 14 . 1 1 29 29 LYS H H 29 7.449 7.449 8.473 -1.024 25477 2485 1 14 . 1 1 30 30 CYS N N 30 111.091 111.091 114.463 -3.372 25477 2486 1 14 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.635 -0.236 25477 2487 1 14 . 1 1 30 30 CYS H H 30 6.636 6.636 8.224 -1.588 25477 2488 1 14 . 1 1 31 31 HIS N N 31 122.497 122.497 120.735 1.762 25477 2489 1 14 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.365 5.866 25477 2490 1 14 . 1 1 31 31 HIS H H 31 11.948 11.948 8.075 3.873 25477 2491 1 14 . 1 1 32 32 GLU N N 32 128.508 128.508 117.773 10.735 25477 2492 1 14 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.347 0.800 25477 2493 1 14 . 1 1 32 32 GLU H H 32 10.401 10.401 8.261 2.140 25477 2494 1 14 . 1 1 33 33 LYS N N 33 117.199 117.199 117.704 -0.505 25477 2495 1 14 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.105 1.199 25477 2496 1 14 . 1 1 33 33 LYS H H 33 10.277 10.277 8.376 1.901 25477 2497 1 14 . 1 1 34 34 GLY N N 34 109.000 109.000 108.144 0.856 25477 2498 1 14 . 1 1 34 34 GLY H H 34 8.997 8.997 7.979 1.018 25477 2499 1 14 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.916 2.321 25477 2500 1 14 . 1 1 37 37 LYS N N 37 118.406 118.406 120.581 -2.175 25477 2501 1 14 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.328 -1.522 25477 2502 1 14 . 1 1 37 37 LYS H H 37 7.501 7.501 8.142 -0.641 25477 2503 1 14 . 1 1 38 38 ILE N N 38 128.016 128.016 125.884 2.132 25477 2504 1 14 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.187 1.138 25477 2505 1 14 . 1 1 38 38 ILE H H 38 9.561 9.561 8.464 1.097 25477 2506 1 14 . 1 1 39 39 GLU N N 39 131.257 131.257 126.220 5.037 25477 2507 1 14 . 1 1 39 39 GLU HA H 39 4.048 4.048 3.996 0.052 25477 2508 1 14 . 1 1 39 39 GLU H H 39 9.317 9.317 8.672 0.645 25477 2509 1 14 . 1 1 40 40 GLY N N 40 112.897 112.897 108.320 4.577 25477 2510 1 14 . 1 1 40 40 GLY H H 40 8.977 8.977 8.226 0.751 25477 2511 1 14 . 1 1 41 41 PHE N N 41 121.371 121.371 123.011 -1.640 25477 2512 1 14 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.625 -1.084 25477 2513 1 14 . 1 1 41 41 PHE H H 41 7.595 7.595 7.910 -0.315 25477 2514 1 14 . 1 1 42 42 GLY H H 42 4.698 4.698 7.198 -2.500 25477 2515 1 14 . 1 1 43 43 LYS N N 43 121.161 121.161 119.762 1.399 25477 2516 1 14 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 3.691 -3.809 25477 2517 1 14 . 1 1 43 43 LYS H H 43 7.221 7.221 8.217 -0.996 25477 2518 1 14 . 1 1 44 44 GLU N N 44 117.347 117.347 117.975 -0.628 25477 2519 1 14 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.026 2.102 25477 2520 1 14 . 1 1 44 44 GLU H H 44 8.811 8.811 8.537 0.274 25477 2521 1 14 . 1 1 45 45 MET N N 45 119.032 119.032 115.987 3.045 25477 2522 1 14 . 1 1 45 45 MET HA H 45 4.195 4.195 4.119 0.076 25477 2523 1 14 . 1 1 45 45 MET H H 45 8.202 8.202 7.132 1.070 25477 2524 1 14 . 1 1 46 46 ALA N N 46 120.454 120.454 121.855 -1.401 25477 2525 1 14 . 1 1 46 46 ALA HA H 46 1.728 1.728 4.129 -2.401 25477 2526 1 14 . 1 1 46 46 ALA H H 46 7.585 7.585 7.490 0.095 25477 2527 1 14 . 1 1 47 47 HIS N N 47 118.598 118.598 116.789 1.809 25477 2528 1 14 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.265 4.009 25477 2529 1 14 . 1 1 47 47 HIS H H 47 11.691 11.691 7.604 4.087 25477 2530 1 14 . 1 1 48 48 GLY N N 48 112.155 112.155 108.128 4.027 25477 2531 1 14 . 1 1 48 48 GLY H H 48 8.572 8.572 7.500 1.072 25477 2532 1 14 . 1 1 49 49 LYS N N 49 126.044 126.044 121.411 4.633 25477 2533 1 14 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.335 -1.018 25477 2534 1 14 . 1 1 49 49 LYS H H 49 9.177 9.177 8.392 0.785 25477 2535 1 14 . 1 1 50 50 GLY N N 50 104.401 104.401 105.089 -0.688 25477 2536 1 14 . 1 1 50 50 GLY H H 50 7.684 7.684 7.572 0.112 25477 2537 1 14 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.168 -6.087 25477 2538 1 14 . 1 1 51 51 CYS H H 51 4.993 4.993 8.173 -3.180 25477 2539 1 14 . 1 1 52 52 LYS N N 52 121.643 121.643 122.503 -0.860 25477 2540 1 14 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.707 0.838 25477 2541 1 14 . 1 1 52 52 LYS H H 52 7.729 7.729 7.898 -0.169 25477 2542 1 14 . 1 1 53 53 GLY N N 53 104.830 104.830 109.011 -4.181 25477 2543 1 14 . 1 1 53 53 GLY H H 53 9.306 9.306 8.807 0.499 25477 2544 1 14 . 1 1 54 54 CYS N N 54 118.874 118.874 121.191 -2.317 25477 2545 1 14 . 1 1 54 54 CYS HA H 54 4.415 4.415 4.059 0.356 25477 2546 1 14 . 1 1 54 54 CYS H H 54 6.172 6.172 8.307 -2.135 25477 2547 1 14 . 1 1 55 55 HIS N N 55 119.047 119.047 119.108 -0.061 25477 2548 1 14 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.534 4.023 25477 2549 1 14 . 1 1 55 55 HIS H H 55 10.083 10.083 7.655 2.428 25477 2550 1 14 . 1 1 56 56 GLU N N 56 119.125 119.125 117.105 2.020 25477 2551 1 14 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.232 0.548 25477 2552 1 14 . 1 1 56 56 GLU H H 56 9.871 9.871 8.389 1.482 25477 2553 1 14 . 1 1 57 57 GLU N N 57 120.962 120.962 118.985 1.977 25477 2554 1 14 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.282 0.019 25477 2555 1 14 . 1 1 57 57 GLU H H 57 8.337 8.337 8.346 -0.009 25477 2556 1 14 . 1 1 58 58 MET N N 58 114.871 114.871 116.870 -1.999 25477 2557 1 14 . 1 1 58 58 MET HA H 58 4.270 4.270 4.472 -0.202 25477 2558 1 14 . 1 1 58 58 MET H H 58 9.289 9.289 8.105 1.184 25477 2559 1 14 . 1 1 59 59 LYS N N 59 115.252 115.252 117.273 -2.021 25477 2560 1 14 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.179 0.012 25477 2561 1 14 . 1 1 59 59 LYS H H 59 8.157 8.157 8.263 -0.106 25477 2562 1 14 . 1 1 60 60 LYS N N 60 118.225 118.225 118.249 -0.024 25477 2563 1 14 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.614 -0.749 25477 2564 1 14 . 1 1 60 60 LYS H H 60 8.245 8.245 7.750 0.495 25477 2565 1 14 . 1 1 61 61 GLY N N 61 102.395 102.395 109.728 -7.333 25477 2566 1 14 . 1 1 61 61 GLY H H 61 6.115 6.115 8.342 -2.227 25477 2567 1 14 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.758 -0.244 25477 2568 1 14 . 1 1 63 63 THR N N 63 111.336 111.336 110.277 1.059 25477 2569 1 14 . 1 1 63 63 THR HA H 63 4.951 4.951 4.444 0.507 25477 2570 1 14 . 1 1 63 63 THR H H 63 8.757 8.757 8.046 0.711 25477 2571 1 14 . 1 1 64 64 LYS N N 64 123.633 123.633 122.900 0.733 25477 2572 1 14 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.292 -0.291 25477 2573 1 14 . 1 1 64 64 LYS H H 64 8.034 8.034 7.846 0.188 25477 2574 1 14 . 1 1 65 65 CYS N N 65 116.426 116.426 123.021 -6.595 25477 2575 1 14 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.422 -5.807 25477 2576 1 14 . 1 1 65 65 CYS H H 65 6.648 6.648 8.741 -2.093 25477 2577 1 14 . 1 1 66 66 GLY N N 66 102.751 102.751 108.960 -6.209 25477 2578 1 14 . 1 1 66 66 GLY H H 66 8.344 8.344 8.764 -0.420 25477 2579 1 14 . 1 1 67 67 GLU N N 67 115.893 115.893 119.009 -3.116 25477 2580 1 14 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.354 -0.213 25477 2581 1 14 . 1 1 67 67 GLU H H 67 6.998 6.998 8.292 -1.294 25477 2582 1 14 . 1 1 68 68 CYS N N 68 113.306 113.306 117.079 -3.773 25477 2583 1 14 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.383 1.159 25477 2584 1 14 . 1 1 68 68 CYS H H 68 6.644 6.644 8.095 -1.451 25477 2585 1 14 . 1 1 69 69 HIS N N 69 121.421 121.421 118.155 3.266 25477 2586 1 14 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.464 5.050 25477 2587 1 14 . 1 1 69 69 HIS H H 69 11.614 11.614 8.758 2.856 25477 2588 1 14 . 1 1 70 70 LYS N N 70 127.268 127.268 123.328 3.940 25477 2589 1 14 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.701 1.133 25477 2590 1 14 . 1 1 70 70 LYS H H 70 10.287 10.287 8.040 2.247 25477 2591 1 15 . 1 1 2 2 ASP N N 2 124.367 124.367 116.613 7.754 25477 2592 1 15 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.631 2.616 25477 2593 1 15 . 1 1 2 2 ASP H H 2 10.343 10.343 8.197 2.146 25477 2594 1 15 . 1 1 3 3 ASP N N 3 120.501 120.501 121.370 -0.869 25477 2595 1 15 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.990 2.289 25477 2596 1 15 . 1 1 3 3 ASP H H 3 9.546 9.546 8.152 1.394 25477 2597 1 15 . 1 1 4 4 ILE N N 4 123.994 123.994 124.880 -0.886 25477 2598 1 15 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.316 0.783 25477 2599 1 15 . 1 1 4 4 ILE H H 4 10.258 10.258 9.033 1.225 25477 2600 1 15 . 1 1 5 5 VAL N N 5 129.474 129.474 128.049 1.425 25477 2601 1 15 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.511 0.421 25477 2602 1 15 . 1 1 5 5 VAL H H 5 9.384 9.384 8.760 0.624 25477 2603 1 15 . 1 1 6 6 LEU N N 6 132.431 132.431 130.529 1.902 25477 2604 1 15 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.628 -0.086 25477 2605 1 15 . 1 1 6 6 LEU H H 6 9.655 9.655 8.129 1.526 25477 2606 1 15 . 1 1 7 7 LYS N N 7 124.598 124.598 123.188 1.410 25477 2607 1 15 . 1 1 7 7 LYS HA H 7 4.947 4.947 3.989 0.958 25477 2608 1 15 . 1 1 7 7 LYS H H 7 8.556 8.556 8.134 0.422 25477 2609 1 15 . 1 1 8 8 ALA N N 8 124.683 124.683 127.070 -2.387 25477 2610 1 15 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.723 0.059 25477 2611 1 15 . 1 1 8 8 ALA H H 8 10.136 10.136 8.455 1.681 25477 2612 1 15 . 1 1 9 9 LYS N N 9 125.212 125.212 119.240 5.972 25477 2613 1 15 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.154 0.183 25477 2614 1 15 . 1 1 9 9 LYS H H 9 10.009 10.009 8.490 1.519 25477 2615 1 15 . 1 1 10 10 ASN N N 10 114.864 114.864 118.756 -3.892 25477 2616 1 15 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.729 0.378 25477 2617 1 15 . 1 1 10 10 ASN H H 10 9.692 9.692 7.977 1.715 25477 2618 1 15 . 1 1 11 11 GLY N N 11 113.592 113.592 111.014 2.578 25477 2619 1 15 . 1 1 11 11 GLY H H 11 9.484 9.484 7.714 1.770 25477 2620 1 15 . 1 1 12 12 ASP N N 12 133.500 133.500 121.841 11.659 25477 2621 1 15 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.714 2.272 25477 2622 1 15 . 1 1 12 12 ASP H H 12 10.354 10.354 8.535 1.819 25477 2623 1 15 . 1 1 13 13 VAL N N 13 122.888 122.888 118.442 4.446 25477 2624 1 15 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.856 1.908 25477 2625 1 15 . 1 1 13 13 VAL H H 13 10.729 10.729 8.248 2.481 25477 2626 1 15 . 1 1 14 14 LYS N N 14 130.045 130.045 128.784 1.261 25477 2627 1 15 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.456 0.618 25477 2628 1 15 . 1 1 14 14 LYS H H 14 9.987 9.987 8.693 1.294 25477 2629 1 15 . 1 1 15 15 PHE N N 15 126.228 126.228 126.831 -0.603 25477 2630 1 15 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.857 0.958 25477 2631 1 15 . 1 1 15 15 PHE H H 15 9.869 9.869 8.168 1.701 25477 2632 1 15 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.746 2.639 25477 2633 1 15 . 1 1 17 17 HIS N N 17 138.291 138.291 126.145 12.146 25477 2634 1 15 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.663 4.714 25477 2635 1 15 . 1 1 17 17 HIS H H 17 11.607 11.607 7.992 3.615 25477 2636 1 15 . 1 1 18 18 LYS N N 18 126.220 126.220 120.140 6.080 25477 2637 1 15 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.913 3.534 25477 2638 1 15 . 1 1 18 18 LYS H H 18 12.968 12.968 7.873 5.095 25477 2639 1 15 . 1 1 19 19 ALA N N 19 124.418 124.418 120.319 4.099 25477 2640 1 15 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.178 1.400 25477 2641 1 15 . 1 1 19 19 ALA H H 19 10.987 10.987 8.305 2.682 25477 2642 1 15 . 1 1 20 20 HIS N N 20 118.446 118.446 115.609 2.837 25477 2643 1 15 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.512 3.412 25477 2644 1 15 . 1 1 20 20 HIS H H 20 12.109 12.109 8.171 3.938 25477 2645 1 15 . 1 1 21 21 GLN N N 21 121.637 121.637 114.790 6.847 25477 2646 1 15 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.433 -0.677 25477 2647 1 15 . 1 1 21 21 GLN H H 21 9.883 9.883 7.389 2.494 25477 2648 1 15 . 1 1 22 22 LYS N N 22 117.108 117.108 119.189 -2.081 25477 2649 1 15 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.417 0.031 25477 2650 1 15 . 1 1 22 22 LYS H H 22 8.086 8.086 7.541 0.545 25477 2651 1 15 . 1 1 23 23 ALA N N 23 119.728 119.728 121.687 -1.959 25477 2652 1 15 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.436 -0.060 25477 2653 1 15 . 1 1 23 23 ALA H H 23 8.047 8.047 8.154 -0.107 25477 2654 1 15 . 1 1 24 24 VAL N N 24 118.949 118.949 117.243 1.706 25477 2655 1 15 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.403 -0.579 25477 2656 1 15 . 1 1 24 24 VAL H H 24 8.394 8.394 7.531 0.863 25477 2657 1 15 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.208 0.015 25477 2658 1 15 . 1 1 26 26 ASP N N 26 118.341 118.341 117.488 0.853 25477 2659 1 15 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.673 -0.274 25477 2660 1 15 . 1 1 26 26 ASP H H 26 7.169 7.169 8.240 -1.071 25477 2661 1 15 . 1 1 27 27 CYS N N 27 124.578 124.578 123.863 0.715 25477 2662 1 15 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.285 -2.239 25477 2663 1 15 . 1 1 27 27 CYS H H 27 7.468 7.468 8.723 -1.255 25477 2664 1 15 . 1 1 28 28 LYS N N 28 115.097 115.097 116.486 -1.389 25477 2665 1 15 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.068 1.446 25477 2666 1 15 . 1 1 28 28 LYS H H 28 8.329 8.329 8.694 -0.365 25477 2667 1 15 . 1 1 29 29 LYS N N 29 118.552 118.552 119.758 -1.206 25477 2668 1 15 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.146 -0.359 25477 2669 1 15 . 1 1 29 29 LYS H H 29 7.449 7.449 8.252 -0.803 25477 2670 1 15 . 1 1 30 30 CYS N N 30 111.091 111.091 114.888 -3.797 25477 2671 1 15 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.565 -0.166 25477 2672 1 15 . 1 1 30 30 CYS H H 30 6.636 6.636 8.436 -1.800 25477 2673 1 15 . 1 1 31 31 HIS N N 31 122.497 122.497 119.340 3.157 25477 2674 1 15 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.389 5.842 25477 2675 1 15 . 1 1 31 31 HIS H H 31 11.948 11.948 8.166 3.782 25477 2676 1 15 . 1 1 32 32 GLU N N 32 128.508 128.508 116.876 11.632 25477 2677 1 15 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.100 1.047 25477 2678 1 15 . 1 1 32 32 GLU H H 32 10.401 10.401 8.652 1.749 25477 2679 1 15 . 1 1 33 33 LYS N N 33 117.199 117.199 121.781 -4.582 25477 2680 1 15 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.277 1.027 25477 2681 1 15 . 1 1 33 33 LYS H H 33 10.277 10.277 8.355 1.922 25477 2682 1 15 . 1 1 34 34 GLY N N 34 109.000 109.000 105.573 3.427 25477 2683 1 15 . 1 1 34 34 GLY H H 34 8.997 8.997 7.941 1.056 25477 2684 1 15 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.853 2.384 25477 2685 1 15 . 1 1 37 37 LYS N N 37 118.406 118.406 119.175 -0.769 25477 2686 1 15 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.009 -1.203 25477 2687 1 15 . 1 1 37 37 LYS H H 37 7.501 7.501 8.214 -0.713 25477 2688 1 15 . 1 1 38 38 ILE N N 38 128.016 128.016 125.080 2.936 25477 2689 1 15 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.102 1.223 25477 2690 1 15 . 1 1 38 38 ILE H H 38 9.561 9.561 8.256 1.305 25477 2691 1 15 . 1 1 39 39 GLU N N 39 131.257 131.257 127.639 3.618 25477 2692 1 15 . 1 1 39 39 GLU HA H 39 4.048 4.048 3.996 0.052 25477 2693 1 15 . 1 1 39 39 GLU H H 39 9.317 9.317 8.785 0.532 25477 2694 1 15 . 1 1 40 40 GLY N N 40 112.897 112.897 110.836 2.061 25477 2695 1 15 . 1 1 40 40 GLY H H 40 8.977 8.977 8.612 0.365 25477 2696 1 15 . 1 1 41 41 PHE N N 41 121.371 121.371 123.516 -2.145 25477 2697 1 15 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.180 -0.639 25477 2698 1 15 . 1 1 41 41 PHE H H 41 7.595 7.595 8.089 -0.494 25477 2699 1 15 . 1 1 42 42 GLY H H 42 4.698 4.698 7.522 -2.824 25477 2700 1 15 . 1 1 43 43 LYS N N 43 121.161 121.161 119.929 1.232 25477 2701 1 15 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 3.786 -3.904 25477 2702 1 15 . 1 1 43 43 LYS H H 43 7.221 7.221 8.448 -1.227 25477 2703 1 15 . 1 1 44 44 GLU N N 44 117.347 117.347 117.705 -0.358 25477 2704 1 15 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.039 2.089 25477 2705 1 15 . 1 1 44 44 GLU H H 44 8.811 8.811 8.732 0.079 25477 2706 1 15 . 1 1 45 45 MET N N 45 119.032 119.032 119.771 -0.739 25477 2707 1 15 . 1 1 45 45 MET HA H 45 4.195 4.195 4.103 0.092 25477 2708 1 15 . 1 1 45 45 MET H H 45 8.202 8.202 7.094 1.108 25477 2709 1 15 . 1 1 46 46 ALA N N 46 120.454 120.454 120.236 0.218 25477 2710 1 15 . 1 1 46 46 ALA HA H 46 1.728 1.728 4.012 -2.284 25477 2711 1 15 . 1 1 46 46 ALA H H 46 7.585 7.585 7.218 0.367 25477 2712 1 15 . 1 1 47 47 HIS N N 47 118.598 118.598 113.315 5.283 25477 2713 1 15 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.709 3.565 25477 2714 1 15 . 1 1 47 47 HIS H H 47 11.691 11.691 7.161 4.530 25477 2715 1 15 . 1 1 48 48 GLY N N 48 112.155 112.155 109.006 3.149 25477 2716 1 15 . 1 1 48 48 GLY H H 48 8.572 8.572 8.363 0.209 25477 2717 1 15 . 1 1 49 49 LYS N N 49 126.044 126.044 121.633 4.411 25477 2718 1 15 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.505 -1.188 25477 2719 1 15 . 1 1 49 49 LYS H H 49 9.177 9.177 8.416 0.761 25477 2720 1 15 . 1 1 50 50 GLY N N 50 104.401 104.401 105.387 -0.986 25477 2721 1 15 . 1 1 50 50 GLY H H 50 7.684 7.684 8.037 -0.353 25477 2722 1 15 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.215 -6.134 25477 2723 1 15 . 1 1 51 51 CYS H H 51 4.993 4.993 8.227 -3.234 25477 2724 1 15 . 1 1 52 52 LYS N N 52 121.643 121.643 122.719 -1.076 25477 2725 1 15 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.669 0.876 25477 2726 1 15 . 1 1 52 52 LYS H H 52 7.729 7.729 7.877 -0.148 25477 2727 1 15 . 1 1 53 53 GLY N N 53 104.830 104.830 108.742 -3.912 25477 2728 1 15 . 1 1 53 53 GLY H H 53 9.306 9.306 8.430 0.876 25477 2729 1 15 . 1 1 54 54 CYS N N 54 118.874 118.874 121.319 -2.445 25477 2730 1 15 . 1 1 54 54 CYS HA H 54 4.415 4.415 4.018 0.397 25477 2731 1 15 . 1 1 54 54 CYS H H 54 6.172 6.172 7.991 -1.819 25477 2732 1 15 . 1 1 55 55 HIS N N 55 119.047 119.047 119.464 -0.417 25477 2733 1 15 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.336 4.221 25477 2734 1 15 . 1 1 55 55 HIS H H 55 10.083 10.083 7.814 2.269 25477 2735 1 15 . 1 1 56 56 GLU N N 56 119.125 119.125 119.174 -0.049 25477 2736 1 15 . 1 1 56 56 GLU HA H 56 4.780 4.780 3.958 0.822 25477 2737 1 15 . 1 1 56 56 GLU H H 56 9.871 9.871 8.586 1.285 25477 2738 1 15 . 1 1 57 57 GLU N N 57 120.962 120.962 118.612 2.350 25477 2739 1 15 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.233 0.068 25477 2740 1 15 . 1 1 57 57 GLU H H 57 8.337 8.337 8.248 0.089 25477 2741 1 15 . 1 1 58 58 MET N N 58 114.871 114.871 118.416 -3.545 25477 2742 1 15 . 1 1 58 58 MET HA H 58 4.270 4.270 4.240 0.030 25477 2743 1 15 . 1 1 58 58 MET H H 58 9.289 9.289 8.350 0.939 25477 2744 1 15 . 1 1 59 59 LYS N N 59 115.252 115.252 114.733 0.519 25477 2745 1 15 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.976 0.215 25477 2746 1 15 . 1 1 59 59 LYS H H 59 8.157 8.157 8.151 0.006 25477 2747 1 15 . 1 1 60 60 LYS N N 60 118.225 118.225 117.125 1.100 25477 2748 1 15 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.572 -0.707 25477 2749 1 15 . 1 1 60 60 LYS H H 60 8.245 8.245 7.464 0.781 25477 2750 1 15 . 1 1 61 61 GLY N N 61 102.395 102.395 109.345 -6.950 25477 2751 1 15 . 1 1 61 61 GLY H H 61 6.115 6.115 8.325 -2.210 25477 2752 1 15 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.653 -0.139 25477 2753 1 15 . 1 1 63 63 THR N N 63 111.336 111.336 113.606 -2.270 25477 2754 1 15 . 1 1 63 63 THR HA H 63 4.951 4.951 4.467 0.484 25477 2755 1 15 . 1 1 63 63 THR H H 63 8.757 8.757 8.147 0.610 25477 2756 1 15 . 1 1 64 64 LYS N N 64 123.633 123.633 122.815 0.818 25477 2757 1 15 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.373 -0.372 25477 2758 1 15 . 1 1 64 64 LYS H H 64 8.034 8.034 7.857 0.177 25477 2759 1 15 . 1 1 65 65 CYS N N 65 116.426 116.426 120.220 -3.794 25477 2760 1 15 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.396 -5.781 25477 2761 1 15 . 1 1 65 65 CYS H H 65 6.648 6.648 8.795 -2.147 25477 2762 1 15 . 1 1 66 66 GLY N N 66 102.751 102.751 108.550 -5.799 25477 2763 1 15 . 1 1 66 66 GLY H H 66 8.344 8.344 8.835 -0.491 25477 2764 1 15 . 1 1 67 67 GLU N N 67 115.893 115.893 119.577 -3.684 25477 2765 1 15 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.341 -0.200 25477 2766 1 15 . 1 1 67 67 GLU H H 67 6.998 6.998 8.366 -1.368 25477 2767 1 15 . 1 1 68 68 CYS N N 68 113.306 113.306 117.020 -3.714 25477 2768 1 15 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.348 1.194 25477 2769 1 15 . 1 1 68 68 CYS H H 68 6.644 6.644 8.070 -1.426 25477 2770 1 15 . 1 1 69 69 HIS N N 69 121.421 121.421 117.524 3.897 25477 2771 1 15 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.794 4.720 25477 2772 1 15 . 1 1 69 69 HIS H H 69 11.614 11.614 8.753 2.861 25477 2773 1 15 . 1 1 70 70 LYS N N 70 127.268 127.268 121.763 5.505 25477 2774 1 15 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.745 1.089 25477 2775 1 15 . 1 1 70 70 LYS H H 70 10.287 10.287 8.144 2.143 25477 2776 1 16 . 1 1 2 2 ASP N N 2 124.367 124.367 117.464 6.903 25477 2777 1 16 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.719 2.528 25477 2778 1 16 . 1 1 2 2 ASP H H 2 10.343 10.343 8.412 1.931 25477 2779 1 16 . 1 1 3 3 ASP N N 3 120.501 120.501 119.857 0.644 25477 2780 1 16 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.841 2.438 25477 2781 1 16 . 1 1 3 3 ASP H H 3 9.546 9.546 7.983 1.563 25477 2782 1 16 . 1 1 4 4 ILE N N 4 123.994 123.994 124.018 -0.024 25477 2783 1 16 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.397 0.702 25477 2784 1 16 . 1 1 4 4 ILE H H 4 10.258 10.258 8.902 1.356 25477 2785 1 16 . 1 1 5 5 VAL N N 5 129.474 129.474 127.510 1.964 25477 2786 1 16 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.562 0.370 25477 2787 1 16 . 1 1 5 5 VAL H H 5 9.384 9.384 8.718 0.666 25477 2788 1 16 . 1 1 6 6 LEU N N 6 132.431 132.431 129.360 3.071 25477 2789 1 16 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.445 0.097 25477 2790 1 16 . 1 1 6 6 LEU H H 6 9.655 9.655 8.097 1.558 25477 2791 1 16 . 1 1 7 7 LYS N N 7 124.598 124.598 123.714 0.884 25477 2792 1 16 . 1 1 7 7 LYS HA H 7 4.947 4.947 3.897 1.050 25477 2793 1 16 . 1 1 7 7 LYS H H 7 8.556 8.556 8.253 0.303 25477 2794 1 16 . 1 1 8 8 ALA N N 8 124.683 124.683 127.417 -2.734 25477 2795 1 16 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.603 0.179 25477 2796 1 16 . 1 1 8 8 ALA H H 8 10.136 10.136 8.363 1.773 25477 2797 1 16 . 1 1 9 9 LYS N N 9 125.212 125.212 120.765 4.447 25477 2798 1 16 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.254 0.083 25477 2799 1 16 . 1 1 9 9 LYS H H 9 10.009 10.009 8.514 1.495 25477 2800 1 16 . 1 1 10 10 ASN N N 10 114.864 114.864 117.035 -2.171 25477 2801 1 16 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.766 0.341 25477 2802 1 16 . 1 1 10 10 ASN H H 10 9.692 9.692 7.602 2.090 25477 2803 1 16 . 1 1 11 11 GLY N N 11 113.592 113.592 110.120 3.472 25477 2804 1 16 . 1 1 11 11 GLY H H 11 9.484 9.484 8.239 1.245 25477 2805 1 16 . 1 1 12 12 ASP N N 12 133.500 133.500 123.667 9.833 25477 2806 1 16 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.659 2.327 25477 2807 1 16 . 1 1 12 12 ASP H H 12 10.354 10.354 8.532 1.822 25477 2808 1 16 . 1 1 13 13 VAL N N 13 122.888 122.888 118.655 4.233 25477 2809 1 16 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.899 1.865 25477 2810 1 16 . 1 1 13 13 VAL H H 13 10.729 10.729 8.224 2.505 25477 2811 1 16 . 1 1 14 14 LYS N N 14 130.045 130.045 127.604 2.441 25477 2812 1 16 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.494 0.580 25477 2813 1 16 . 1 1 14 14 LYS H H 14 9.987 9.987 8.659 1.328 25477 2814 1 16 . 1 1 15 15 PHE N N 15 126.228 126.228 126.509 -0.281 25477 2815 1 16 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.937 0.878 25477 2816 1 16 . 1 1 15 15 PHE H H 15 9.869 9.869 8.216 1.653 25477 2817 1 16 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.795 2.590 25477 2818 1 16 . 1 1 17 17 HIS N N 17 138.291 138.291 126.686 11.605 25477 2819 1 16 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.813 4.564 25477 2820 1 16 . 1 1 17 17 HIS H H 17 11.607 11.607 8.379 3.228 25477 2821 1 16 . 1 1 18 18 LYS N N 18 126.220 126.220 120.222 5.998 25477 2822 1 16 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.280 3.167 25477 2823 1 16 . 1 1 18 18 LYS H H 18 12.968 12.968 7.844 5.124 25477 2824 1 16 . 1 1 19 19 ALA N N 19 124.418 124.418 120.692 3.726 25477 2825 1 16 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.232 1.346 25477 2826 1 16 . 1 1 19 19 ALA H H 19 10.987 10.987 8.213 2.774 25477 2827 1 16 . 1 1 20 20 HIS N N 20 118.446 118.446 115.528 2.918 25477 2828 1 16 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.524 3.400 25477 2829 1 16 . 1 1 20 20 HIS H H 20 12.109 12.109 7.974 4.135 25477 2830 1 16 . 1 1 21 21 GLN N N 21 121.637 121.637 116.181 5.456 25477 2831 1 16 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.262 -0.506 25477 2832 1 16 . 1 1 21 21 GLN H H 21 9.883 9.883 7.346 2.537 25477 2833 1 16 . 1 1 22 22 LYS N N 22 117.108 117.108 117.480 -0.372 25477 2834 1 16 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.417 0.031 25477 2835 1 16 . 1 1 22 22 LYS H H 22 8.086 8.086 7.469 0.617 25477 2836 1 16 . 1 1 23 23 ALA N N 23 119.728 119.728 122.228 -2.500 25477 2837 1 16 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.189 0.187 25477 2838 1 16 . 1 1 23 23 ALA H H 23 8.047 8.047 7.474 0.573 25477 2839 1 16 . 1 1 24 24 VAL N N 24 118.949 118.949 116.342 2.607 25477 2840 1 16 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.332 -0.508 25477 2841 1 16 . 1 1 24 24 VAL H H 24 8.394 8.394 7.599 0.795 25477 2842 1 16 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.202 0.021 25477 2843 1 16 . 1 1 26 26 ASP N N 26 118.341 118.341 115.809 2.532 25477 2844 1 16 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.675 -0.276 25477 2845 1 16 . 1 1 26 26 ASP H H 26 7.169 7.169 8.378 -1.209 25477 2846 1 16 . 1 1 27 27 CYS N N 27 124.578 124.578 117.425 7.153 25477 2847 1 16 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.045 -1.999 25477 2848 1 16 . 1 1 27 27 CYS H H 27 7.468 7.468 7.647 -0.179 25477 2849 1 16 . 1 1 28 28 LYS N N 28 115.097 115.097 118.916 -3.819 25477 2850 1 16 . 1 1 28 28 LYS HA H 28 5.514 5.514 3.865 1.649 25477 2851 1 16 . 1 1 28 28 LYS H H 28 8.329 8.329 8.648 -0.319 25477 2852 1 16 . 1 1 29 29 LYS N N 29 118.552 118.552 119.201 -0.649 25477 2853 1 16 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.143 -0.356 25477 2854 1 16 . 1 1 29 29 LYS H H 29 7.449 7.449 8.307 -0.858 25477 2855 1 16 . 1 1 30 30 CYS N N 30 111.091 111.091 115.463 -4.372 25477 2856 1 16 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.427 -0.028 25477 2857 1 16 . 1 1 30 30 CYS H H 30 6.636 6.636 7.888 -1.252 25477 2858 1 16 . 1 1 31 31 HIS N N 31 122.497 122.497 120.452 2.045 25477 2859 1 16 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.706 5.525 25477 2860 1 16 . 1 1 31 31 HIS H H 31 11.948 11.948 8.339 3.609 25477 2861 1 16 . 1 1 32 32 GLU N N 32 128.508 128.508 120.817 7.691 25477 2862 1 16 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.134 1.013 25477 2863 1 16 . 1 1 32 32 GLU H H 32 10.401 10.401 7.719 2.682 25477 2864 1 16 . 1 1 33 33 LYS N N 33 117.199 117.199 118.998 -1.799 25477 2865 1 16 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.262 1.042 25477 2866 1 16 . 1 1 33 33 LYS H H 33 10.277 10.277 8.381 1.896 25477 2867 1 16 . 1 1 34 34 GLY N N 34 109.000 109.000 104.694 4.306 25477 2868 1 16 . 1 1 34 34 GLY H H 34 8.997 8.997 7.765 1.232 25477 2869 1 16 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.760 2.477 25477 2870 1 16 . 1 1 37 37 LYS N N 37 118.406 118.406 121.652 -3.246 25477 2871 1 16 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.425 -1.619 25477 2872 1 16 . 1 1 37 37 LYS H H 37 7.501 7.501 8.215 -0.714 25477 2873 1 16 . 1 1 38 38 ILE N N 38 128.016 128.016 124.785 3.231 25477 2874 1 16 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.147 1.178 25477 2875 1 16 . 1 1 38 38 ILE H H 38 9.561 9.561 8.502 1.059 25477 2876 1 16 . 1 1 39 39 GLU N N 39 131.257 131.257 127.331 3.926 25477 2877 1 16 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.049 -0.001 25477 2878 1 16 . 1 1 39 39 GLU H H 39 9.317 9.317 8.650 0.667 25477 2879 1 16 . 1 1 40 40 GLY N N 40 112.897 112.897 111.491 1.406 25477 2880 1 16 . 1 1 40 40 GLY H H 40 8.977 8.977 8.614 0.363 25477 2881 1 16 . 1 1 41 41 PHE N N 41 121.371 121.371 123.888 -2.517 25477 2882 1 16 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.322 -0.781 25477 2883 1 16 . 1 1 41 41 PHE H H 41 7.595 7.595 7.830 -0.235 25477 2884 1 16 . 1 1 42 42 GLY H H 42 4.698 4.698 7.210 -2.512 25477 2885 1 16 . 1 1 43 43 LYS N N 43 121.161 121.161 121.149 0.012 25477 2886 1 16 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.089 -4.207 25477 2887 1 16 . 1 1 43 43 LYS H H 43 7.221 7.221 8.618 -1.397 25477 2888 1 16 . 1 1 44 44 GLU N N 44 117.347 117.347 119.614 -2.267 25477 2889 1 16 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.068 2.060 25477 2890 1 16 . 1 1 44 44 GLU H H 44 8.811 8.811 8.770 0.041 25477 2891 1 16 . 1 1 45 45 MET N N 45 119.032 119.032 117.496 1.536 25477 2892 1 16 . 1 1 45 45 MET HA H 45 4.195 4.195 4.106 0.089 25477 2893 1 16 . 1 1 45 45 MET H H 45 8.202 8.202 7.734 0.468 25477 2894 1 16 . 1 1 46 46 ALA N N 46 120.454 120.454 121.762 -1.308 25477 2895 1 16 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.750 -2.022 25477 2896 1 16 . 1 1 46 46 ALA H H 46 7.585 7.585 7.476 0.109 25477 2897 1 16 . 1 1 47 47 HIS N N 47 118.598 118.598 115.935 2.663 25477 2898 1 16 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.253 4.021 25477 2899 1 16 . 1 1 47 47 HIS H H 47 11.691 11.691 7.518 4.173 25477 2900 1 16 . 1 1 48 48 GLY N N 48 112.155 112.155 106.789 5.366 25477 2901 1 16 . 1 1 48 48 GLY H H 48 8.572 8.572 7.473 1.099 25477 2902 1 16 . 1 1 49 49 LYS N N 49 126.044 126.044 121.491 4.553 25477 2903 1 16 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.354 -1.037 25477 2904 1 16 . 1 1 49 49 LYS H H 49 9.177 9.177 8.281 0.896 25477 2905 1 16 . 1 1 50 50 GLY N N 50 104.401 104.401 106.690 -2.289 25477 2906 1 16 . 1 1 50 50 GLY H H 50 7.684 7.684 7.701 -0.017 25477 2907 1 16 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.215 -6.134 25477 2908 1 16 . 1 1 51 51 CYS H H 51 4.993 4.993 8.067 -3.074 25477 2909 1 16 . 1 1 52 52 LYS N N 52 121.643 121.643 122.138 -0.495 25477 2910 1 16 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.614 0.931 25477 2911 1 16 . 1 1 52 52 LYS H H 52 7.729 7.729 7.908 -0.179 25477 2912 1 16 . 1 1 53 53 GLY N N 53 104.830 104.830 108.837 -4.007 25477 2913 1 16 . 1 1 53 53 GLY H H 53 9.306 9.306 8.329 0.977 25477 2914 1 16 . 1 1 54 54 CYS N N 54 118.874 118.874 120.380 -1.506 25477 2915 1 16 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.980 0.435 25477 2916 1 16 . 1 1 54 54 CYS H H 54 6.172 6.172 8.153 -1.981 25477 2917 1 16 . 1 1 55 55 HIS N N 55 119.047 119.047 118.923 0.124 25477 2918 1 16 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.275 4.282 25477 2919 1 16 . 1 1 55 55 HIS H H 55 10.083 10.083 7.854 2.229 25477 2920 1 16 . 1 1 56 56 GLU N N 56 119.125 119.125 118.606 0.519 25477 2921 1 16 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.106 0.674 25477 2922 1 16 . 1 1 56 56 GLU H H 56 9.871 9.871 8.297 1.574 25477 2923 1 16 . 1 1 57 57 GLU N N 57 120.962 120.962 116.569 4.393 25477 2924 1 16 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.383 -0.082 25477 2925 1 16 . 1 1 57 57 GLU H H 57 8.337 8.337 8.138 0.199 25477 2926 1 16 . 1 1 58 58 MET N N 58 114.871 114.871 117.283 -2.412 25477 2927 1 16 . 1 1 58 58 MET HA H 58 4.270 4.270 4.587 -0.317 25477 2928 1 16 . 1 1 58 58 MET H H 58 9.289 9.289 7.807 1.482 25477 2929 1 16 . 1 1 59 59 LYS N N 59 115.252 115.252 115.775 -0.523 25477 2930 1 16 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.948 0.243 25477 2931 1 16 . 1 1 59 59 LYS H H 59 8.157 8.157 8.197 -0.040 25477 2932 1 16 . 1 1 60 60 LYS N N 60 118.225 118.225 118.071 0.154 25477 2933 1 16 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.565 -0.700 25477 2934 1 16 . 1 1 60 60 LYS H H 60 8.245 8.245 7.613 0.632 25477 2935 1 16 . 1 1 61 61 GLY N N 61 102.395 102.395 109.761 -7.366 25477 2936 1 16 . 1 1 61 61 GLY H H 61 6.115 6.115 8.044 -1.929 25477 2937 1 16 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.796 -0.282 25477 2938 1 16 . 1 1 63 63 THR N N 63 111.336 111.336 111.295 0.041 25477 2939 1 16 . 1 1 63 63 THR HA H 63 4.951 4.951 4.454 0.497 25477 2940 1 16 . 1 1 63 63 THR H H 63 8.757 8.757 8.091 0.666 25477 2941 1 16 . 1 1 64 64 LYS N N 64 123.633 123.633 122.304 1.329 25477 2942 1 16 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.288 -0.287 25477 2943 1 16 . 1 1 64 64 LYS H H 64 8.034 8.034 7.875 0.159 25477 2944 1 16 . 1 1 65 65 CYS N N 65 116.426 116.426 119.979 -3.553 25477 2945 1 16 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.420 -5.805 25477 2946 1 16 . 1 1 65 65 CYS H H 65 6.648 6.648 8.673 -2.025 25477 2947 1 16 . 1 1 66 66 GLY N N 66 102.751 102.751 108.874 -6.123 25477 2948 1 16 . 1 1 66 66 GLY H H 66 8.344 8.344 8.791 -0.447 25477 2949 1 16 . 1 1 67 67 GLU N N 67 115.893 115.893 119.341 -3.448 25477 2950 1 16 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.348 -0.207 25477 2951 1 16 . 1 1 67 67 GLU H H 67 6.998 6.998 8.343 -1.345 25477 2952 1 16 . 1 1 68 68 CYS N N 68 113.306 113.306 116.963 -3.657 25477 2953 1 16 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.401 1.141 25477 2954 1 16 . 1 1 68 68 CYS H H 68 6.644 6.644 8.253 -1.609 25477 2955 1 16 . 1 1 69 69 HIS N N 69 121.421 121.421 117.577 3.844 25477 2956 1 16 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.589 4.925 25477 2957 1 16 . 1 1 69 69 HIS H H 69 11.614 11.614 8.640 2.974 25477 2958 1 16 . 1 1 70 70 LYS N N 70 127.268 127.268 120.763 6.505 25477 2959 1 16 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.708 1.126 25477 2960 1 16 . 1 1 70 70 LYS H H 70 10.287 10.287 8.359 1.928 25477 2961 1 17 . 1 1 2 2 ASP N N 2 124.367 124.367 116.843 7.524 25477 2962 1 17 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.602 2.645 25477 2963 1 17 . 1 1 2 2 ASP H H 2 10.343 10.343 8.238 2.105 25477 2964 1 17 . 1 1 3 3 ASP N N 3 120.501 120.501 119.891 0.610 25477 2965 1 17 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.877 2.402 25477 2966 1 17 . 1 1 3 3 ASP H H 3 9.546 9.546 8.078 1.468 25477 2967 1 17 . 1 1 4 4 ILE N N 4 123.994 123.994 127.169 -3.175 25477 2968 1 17 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.286 0.813 25477 2969 1 17 . 1 1 4 4 ILE H H 4 10.258 10.258 8.683 1.575 25477 2970 1 17 . 1 1 5 5 VAL N N 5 129.474 129.474 127.897 1.577 25477 2971 1 17 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.535 0.397 25477 2972 1 17 . 1 1 5 5 VAL H H 5 9.384 9.384 8.708 0.676 25477 2973 1 17 . 1 1 6 6 LEU N N 6 132.431 132.431 130.741 1.690 25477 2974 1 17 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.560 -0.018 25477 2975 1 17 . 1 1 6 6 LEU H H 6 9.655 9.655 7.934 1.721 25477 2976 1 17 . 1 1 7 7 LYS N N 7 124.598 124.598 121.663 2.935 25477 2977 1 17 . 1 1 7 7 LYS HA H 7 4.947 4.947 3.997 0.950 25477 2978 1 17 . 1 1 7 7 LYS H H 7 8.556 8.556 7.837 0.719 25477 2979 1 17 . 1 1 8 8 ALA N N 8 124.683 124.683 127.036 -2.353 25477 2980 1 17 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.708 0.074 25477 2981 1 17 . 1 1 8 8 ALA H H 8 10.136 10.136 8.403 1.733 25477 2982 1 17 . 1 1 9 9 LYS N N 9 125.212 125.212 120.852 4.360 25477 2983 1 17 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.206 0.131 25477 2984 1 17 . 1 1 9 9 LYS H H 9 10.009 10.009 8.594 1.415 25477 2985 1 17 . 1 1 10 10 ASN N N 10 114.864 114.864 117.276 -2.412 25477 2986 1 17 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.771 0.336 25477 2987 1 17 . 1 1 10 10 ASN H H 10 9.692 9.692 7.863 1.829 25477 2988 1 17 . 1 1 11 11 GLY N N 11 113.592 113.592 109.462 4.130 25477 2989 1 17 . 1 1 11 11 GLY H H 11 9.484 9.484 7.926 1.558 25477 2990 1 17 . 1 1 12 12 ASP N N 12 133.500 133.500 121.110 12.390 25477 2991 1 17 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.666 2.320 25477 2992 1 17 . 1 1 12 12 ASP H H 12 10.354 10.354 8.370 1.984 25477 2993 1 17 . 1 1 13 13 VAL N N 13 122.888 122.888 117.729 5.159 25477 2994 1 17 . 1 1 13 13 VAL HA H 13 6.764 6.764 5.019 1.745 25477 2995 1 17 . 1 1 13 13 VAL H H 13 10.729 10.729 8.229 2.500 25477 2996 1 17 . 1 1 14 14 LYS N N 14 130.045 130.045 127.487 2.558 25477 2997 1 17 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.569 0.505 25477 2998 1 17 . 1 1 14 14 LYS H H 14 9.987 9.987 8.271 1.716 25477 2999 1 17 . 1 1 15 15 PHE N N 15 126.228 126.228 127.009 -0.781 25477 3000 1 17 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.862 0.953 25477 3001 1 17 . 1 1 15 15 PHE H H 15 9.869 9.869 8.080 1.789 25477 3002 1 17 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.778 2.607 25477 3003 1 17 . 1 1 17 17 HIS N N 17 138.291 138.291 126.288 12.003 25477 3004 1 17 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.696 4.681 25477 3005 1 17 . 1 1 17 17 HIS H H 17 11.607 11.607 8.040 3.567 25477 3006 1 17 . 1 1 18 18 LYS N N 18 126.220 126.220 119.489 6.731 25477 3007 1 17 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.939 3.508 25477 3008 1 17 . 1 1 18 18 LYS H H 18 12.968 12.968 7.765 5.203 25477 3009 1 17 . 1 1 19 19 ALA N N 19 124.418 124.418 121.268 3.150 25477 3010 1 17 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.189 1.389 25477 3011 1 17 . 1 1 19 19 ALA H H 19 10.987 10.987 8.314 2.673 25477 3012 1 17 . 1 1 20 20 HIS N N 20 118.446 118.446 114.914 3.532 25477 3013 1 17 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.584 3.340 25477 3014 1 17 . 1 1 20 20 HIS H H 20 12.109 12.109 7.624 4.485 25477 3015 1 17 . 1 1 21 21 GLN N N 21 121.637 121.637 117.622 4.015 25477 3016 1 17 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.331 -0.575 25477 3017 1 17 . 1 1 21 21 GLN H H 21 9.883 9.883 7.440 2.443 25477 3018 1 17 . 1 1 22 22 LYS N N 22 117.108 117.108 117.368 -0.260 25477 3019 1 17 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.388 0.060 25477 3020 1 17 . 1 1 22 22 LYS H H 22 8.086 8.086 7.654 0.432 25477 3021 1 17 . 1 1 23 23 ALA N N 23 119.728 119.728 121.058 -1.330 25477 3022 1 17 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.434 -0.058 25477 3023 1 17 . 1 1 23 23 ALA H H 23 8.047 8.047 8.166 -0.119 25477 3024 1 17 . 1 1 24 24 VAL N N 24 118.949 118.949 122.510 -3.561 25477 3025 1 17 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.241 -0.417 25477 3026 1 17 . 1 1 24 24 VAL H H 24 8.394 8.394 7.979 0.415 25477 3027 1 17 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.185 0.038 25477 3028 1 17 . 1 1 26 26 ASP N N 26 118.341 118.341 117.298 1.043 25477 3029 1 17 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.759 -0.360 25477 3030 1 17 . 1 1 26 26 ASP H H 26 7.169 7.169 8.061 -0.892 25477 3031 1 17 . 1 1 27 27 CYS N N 27 124.578 124.578 122.898 1.680 25477 3032 1 17 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.083 -2.037 25477 3033 1 17 . 1 1 27 27 CYS H H 27 7.468 7.468 8.332 -0.864 25477 3034 1 17 . 1 1 28 28 LYS N N 28 115.097 115.097 120.677 -5.580 25477 3035 1 17 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.094 1.420 25477 3036 1 17 . 1 1 28 28 LYS H H 28 8.329 8.329 8.179 0.150 25477 3037 1 17 . 1 1 29 29 LYS N N 29 118.552 118.552 120.306 -1.754 25477 3038 1 17 . 1 1 29 29 LYS HA H 29 3.787 3.787 3.944 -0.157 25477 3039 1 17 . 1 1 29 29 LYS H H 29 7.449 7.449 8.615 -1.166 25477 3040 1 17 . 1 1 30 30 CYS N N 30 111.091 111.091 114.140 -3.049 25477 3041 1 17 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.382 0.017 25477 3042 1 17 . 1 1 30 30 CYS H H 30 6.636 6.636 7.710 -1.074 25477 3043 1 17 . 1 1 31 31 HIS N N 31 122.497 122.497 118.920 3.577 25477 3044 1 17 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.876 5.355 25477 3045 1 17 . 1 1 31 31 HIS H H 31 11.948 11.948 7.711 4.237 25477 3046 1 17 . 1 1 32 32 GLU N N 32 128.508 128.508 120.838 7.670 25477 3047 1 17 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.064 1.083 25477 3048 1 17 . 1 1 32 32 GLU H H 32 10.401 10.401 7.781 2.620 25477 3049 1 17 . 1 1 33 33 LYS N N 33 117.199 117.199 118.147 -0.948 25477 3050 1 17 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.289 1.015 25477 3051 1 17 . 1 1 33 33 LYS H H 33 10.277 10.277 8.337 1.940 25477 3052 1 17 . 1 1 34 34 GLY N N 34 109.000 109.000 105.361 3.639 25477 3053 1 17 . 1 1 34 34 GLY H H 34 8.997 8.997 7.714 1.283 25477 3054 1 17 . 1 1 35 35 PRO HA H 35 6.237 6.237 4.076 2.161 25477 3055 1 17 . 1 1 37 37 LYS N N 37 118.406 118.406 121.626 -3.220 25477 3056 1 17 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.325 -1.519 25477 3057 1 17 . 1 1 37 37 LYS H H 37 7.501 7.501 8.309 -0.808 25477 3058 1 17 . 1 1 38 38 ILE N N 38 128.016 128.016 124.767 3.249 25477 3059 1 17 . 1 1 38 38 ILE HA H 38 5.325 5.325 3.969 1.356 25477 3060 1 17 . 1 1 38 38 ILE H H 38 9.561 9.561 7.856 1.705 25477 3061 1 17 . 1 1 39 39 GLU N N 39 131.257 131.257 128.396 2.861 25477 3062 1 17 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.049 -0.001 25477 3063 1 17 . 1 1 39 39 GLU H H 39 9.317 9.317 8.748 0.569 25477 3064 1 17 . 1 1 40 40 GLY N N 40 112.897 112.897 111.323 1.574 25477 3065 1 17 . 1 1 40 40 GLY H H 40 8.977 8.977 8.741 0.236 25477 3066 1 17 . 1 1 41 41 PHE N N 41 121.371 121.371 125.493 -4.122 25477 3067 1 17 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.336 -0.795 25477 3068 1 17 . 1 1 41 41 PHE H H 41 7.595 7.595 8.004 -0.409 25477 3069 1 17 . 1 1 42 42 GLY H H 42 4.698 4.698 7.870 -3.172 25477 3070 1 17 . 1 1 43 43 LYS N N 43 121.161 121.161 119.135 2.026 25477 3071 1 17 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 3.831 -3.949 25477 3072 1 17 . 1 1 43 43 LYS H H 43 7.221 7.221 8.277 -1.056 25477 3073 1 17 . 1 1 44 44 GLU N N 44 117.347 117.347 119.364 -2.017 25477 3074 1 17 . 1 1 44 44 GLU HA H 44 6.128 6.128 3.930 2.198 25477 3075 1 17 . 1 1 44 44 GLU H H 44 8.811 8.811 8.348 0.463 25477 3076 1 17 . 1 1 45 45 MET N N 45 119.032 119.032 117.732 1.300 25477 3077 1 17 . 1 1 45 45 MET HA H 45 4.195 4.195 4.068 0.127 25477 3078 1 17 . 1 1 45 45 MET H H 45 8.202 8.202 7.596 0.606 25477 3079 1 17 . 1 1 46 46 ALA N N 46 120.454 120.454 120.095 0.359 25477 3080 1 17 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.902 -2.174 25477 3081 1 17 . 1 1 46 46 ALA H H 46 7.585 7.585 7.947 -0.362 25477 3082 1 17 . 1 1 47 47 HIS N N 47 118.598 118.598 116.745 1.853 25477 3083 1 17 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.224 4.050 25477 3084 1 17 . 1 1 47 47 HIS H H 47 11.691 11.691 7.515 4.176 25477 3085 1 17 . 1 1 48 48 GLY N N 48 112.155 112.155 107.280 4.875 25477 3086 1 17 . 1 1 48 48 GLY H H 48 8.572 8.572 7.909 0.663 25477 3087 1 17 . 1 1 49 49 LYS N N 49 126.044 126.044 121.061 4.983 25477 3088 1 17 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.344 -1.027 25477 3089 1 17 . 1 1 49 49 LYS H H 49 9.177 9.177 8.382 0.795 25477 3090 1 17 . 1 1 50 50 GLY N N 50 104.401 104.401 105.322 -0.921 25477 3091 1 17 . 1 1 50 50 GLY H H 50 7.684 7.684 7.746 -0.062 25477 3092 1 17 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.177 -6.096 25477 3093 1 17 . 1 1 51 51 CYS H H 51 4.993 4.993 8.145 -3.152 25477 3094 1 17 . 1 1 52 52 LYS N N 52 121.643 121.643 122.571 -0.928 25477 3095 1 17 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.705 0.840 25477 3096 1 17 . 1 1 52 52 LYS H H 52 7.729 7.729 8.049 -0.320 25477 3097 1 17 . 1 1 53 53 GLY N N 53 104.830 104.830 108.665 -3.835 25477 3098 1 17 . 1 1 53 53 GLY H H 53 9.306 9.306 8.647 0.659 25477 3099 1 17 . 1 1 54 54 CYS N N 54 118.874 118.874 122.211 -3.337 25477 3100 1 17 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.955 0.460 25477 3101 1 17 . 1 1 54 54 CYS H H 54 6.172 6.172 8.233 -2.061 25477 3102 1 17 . 1 1 55 55 HIS N N 55 119.047 119.047 119.177 -0.130 25477 3103 1 17 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.365 4.192 25477 3104 1 17 . 1 1 55 55 HIS H H 55 10.083 10.083 7.763 2.320 25477 3105 1 17 . 1 1 56 56 GLU N N 56 119.125 119.125 118.128 0.997 25477 3106 1 17 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.094 0.686 25477 3107 1 17 . 1 1 56 56 GLU H H 56 9.871 9.871 8.512 1.359 25477 3108 1 17 . 1 1 57 57 GLU N N 57 120.962 120.962 118.444 2.518 25477 3109 1 17 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.209 0.092 25477 3110 1 17 . 1 1 57 57 GLU H H 57 8.337 8.337 7.945 0.392 25477 3111 1 17 . 1 1 58 58 MET N N 58 114.871 114.871 117.642 -2.771 25477 3112 1 17 . 1 1 58 58 MET HA H 58 4.270 4.270 4.311 -0.041 25477 3113 1 17 . 1 1 58 58 MET H H 58 9.289 9.289 8.365 0.924 25477 3114 1 17 . 1 1 59 59 LYS N N 59 115.252 115.252 113.653 1.599 25477 3115 1 17 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.961 0.230 25477 3116 1 17 . 1 1 59 59 LYS H H 59 8.157 8.157 8.000 0.157 25477 3117 1 17 . 1 1 60 60 LYS N N 60 118.225 118.225 118.916 -0.691 25477 3118 1 17 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.489 -0.624 25477 3119 1 17 . 1 1 60 60 LYS H H 60 8.245 8.245 7.563 0.682 25477 3120 1 17 . 1 1 61 61 GLY N N 61 102.395 102.395 110.381 -7.986 25477 3121 1 17 . 1 1 61 61 GLY H H 61 6.115 6.115 8.282 -2.167 25477 3122 1 17 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.737 -0.223 25477 3123 1 17 . 1 1 63 63 THR N N 63 111.336 111.336 111.776 -0.440 25477 3124 1 17 . 1 1 63 63 THR HA H 63 4.951 4.951 4.467 0.484 25477 3125 1 17 . 1 1 63 63 THR H H 63 8.757 8.757 8.029 0.728 25477 3126 1 17 . 1 1 64 64 LYS N N 64 123.633 123.633 122.453 1.180 25477 3127 1 17 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.451 -0.450 25477 3128 1 17 . 1 1 64 64 LYS H H 64 8.034 8.034 7.620 0.414 25477 3129 1 17 . 1 1 65 65 CYS N N 65 116.426 116.426 119.767 -3.341 25477 3130 1 17 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.387 -5.772 25477 3131 1 17 . 1 1 65 65 CYS H H 65 6.648 6.648 8.688 -2.040 25477 3132 1 17 . 1 1 66 66 GLY N N 66 102.751 102.751 108.833 -6.082 25477 3133 1 17 . 1 1 66 66 GLY H H 66 8.344 8.344 8.635 -0.291 25477 3134 1 17 . 1 1 67 67 GLU N N 67 115.893 115.893 118.357 -2.464 25477 3135 1 17 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.245 -0.104 25477 3136 1 17 . 1 1 67 67 GLU H H 67 6.998 6.998 8.163 -1.165 25477 3137 1 17 . 1 1 68 68 CYS N N 68 113.306 113.306 117.002 -3.696 25477 3138 1 17 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.405 1.137 25477 3139 1 17 . 1 1 68 68 CYS H H 68 6.644 6.644 8.210 -1.567 25477 3140 1 17 . 1 1 69 69 HIS N N 69 121.421 121.421 117.357 4.064 25477 3141 1 17 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.530 4.984 25477 3142 1 17 . 1 1 69 69 HIS H H 69 11.614 11.614 8.579 3.035 25477 3143 1 17 . 1 1 70 70 LYS N N 70 127.268 127.268 117.788 9.480 25477 3144 1 17 . 1 1 70 70 LYS HA H 70 5.834 5.834 3.965 1.869 25477 3145 1 17 . 1 1 70 70 LYS H H 70 10.287 10.287 8.750 1.537 25477 3146 1 18 . 1 1 2 2 ASP N N 2 124.367 124.367 117.247 7.120 25477 3147 1 18 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.636 2.611 25477 3148 1 18 . 1 1 2 2 ASP H H 2 10.343 10.343 8.053 2.290 25477 3149 1 18 . 1 1 3 3 ASP N N 3 120.501 120.501 121.098 -0.597 25477 3150 1 18 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.903 2.376 25477 3151 1 18 . 1 1 3 3 ASP H H 3 9.546 9.546 8.066 1.480 25477 3152 1 18 . 1 1 4 4 ILE N N 4 123.994 123.994 127.421 -3.427 25477 3153 1 18 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.318 0.781 25477 3154 1 18 . 1 1 4 4 ILE H H 4 10.258 10.258 9.035 1.223 25477 3155 1 18 . 1 1 5 5 VAL N N 5 129.474 129.474 128.292 1.182 25477 3156 1 18 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.558 0.374 25477 3157 1 18 . 1 1 5 5 VAL H H 5 9.384 9.384 8.771 0.613 25477 3158 1 18 . 1 1 6 6 LEU N N 6 132.431 132.431 130.772 1.659 25477 3159 1 18 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.545 -0.003 25477 3160 1 18 . 1 1 6 6 LEU H H 6 9.655 9.655 8.096 1.559 25477 3161 1 18 . 1 1 7 7 LYS N N 7 124.598 124.598 121.082 3.516 25477 3162 1 18 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.055 0.892 25477 3163 1 18 . 1 1 7 7 LYS H H 7 8.556 8.556 7.881 0.675 25477 3164 1 18 . 1 1 8 8 ALA N N 8 124.683 124.683 127.476 -2.793 25477 3165 1 18 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.529 0.253 25477 3166 1 18 . 1 1 8 8 ALA H H 8 10.136 10.136 8.422 1.714 25477 3167 1 18 . 1 1 9 9 LYS N N 9 125.212 125.212 119.717 5.495 25477 3168 1 18 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.378 -0.041 25477 3169 1 18 . 1 1 9 9 LYS H H 9 10.009 10.009 8.646 1.363 25477 3170 1 18 . 1 1 10 10 ASN N N 10 114.864 114.864 116.818 -1.954 25477 3171 1 18 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.849 0.258 25477 3172 1 18 . 1 1 10 10 ASN H H 10 9.692 9.692 7.842 1.850 25477 3173 1 18 . 1 1 11 11 GLY N N 11 113.592 113.592 108.486 5.106 25477 3174 1 18 . 1 1 11 11 GLY H H 11 9.484 9.484 7.969 1.515 25477 3175 1 18 . 1 1 12 12 ASP N N 12 133.500 133.500 122.769 10.731 25477 3176 1 18 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.643 2.343 25477 3177 1 18 . 1 1 12 12 ASP H H 12 10.354 10.354 8.463 1.891 25477 3178 1 18 . 1 1 13 13 VAL N N 13 122.888 122.888 117.944 4.944 25477 3179 1 18 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.715 2.049 25477 3180 1 18 . 1 1 13 13 VAL H H 13 10.729 10.729 8.248 2.481 25477 3181 1 18 . 1 1 14 14 LYS N N 14 130.045 130.045 128.616 1.429 25477 3182 1 18 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.440 0.634 25477 3183 1 18 . 1 1 14 14 LYS H H 14 9.987 9.987 8.597 1.390 25477 3184 1 18 . 1 1 15 15 PHE N N 15 126.228 126.228 126.752 -0.524 25477 3185 1 18 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.883 0.932 25477 3186 1 18 . 1 1 15 15 PHE H H 15 9.869 9.869 8.221 1.648 25477 3187 1 18 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.610 2.775 25477 3188 1 18 . 1 1 17 17 HIS N N 17 138.291 138.291 126.436 11.855 25477 3189 1 18 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.668 4.709 25477 3190 1 18 . 1 1 17 17 HIS H H 17 11.607 11.607 8.129 3.478 25477 3191 1 18 . 1 1 18 18 LYS N N 18 126.220 126.220 118.453 7.767 25477 3192 1 18 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.978 3.469 25477 3193 1 18 . 1 1 18 18 LYS H H 18 12.968 12.968 7.811 5.157 25477 3194 1 18 . 1 1 19 19 ALA N N 19 124.418 124.418 120.882 3.536 25477 3195 1 18 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.216 1.362 25477 3196 1 18 . 1 1 19 19 ALA H H 19 10.987 10.987 8.240 2.747 25477 3197 1 18 . 1 1 20 20 HIS N N 20 118.446 118.446 117.096 1.350 25477 3198 1 18 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.470 3.454 25477 3199 1 18 . 1 1 20 20 HIS H H 20 12.109 12.109 8.290 3.819 25477 3200 1 18 . 1 1 21 21 GLN N N 21 121.637 121.637 118.256 3.381 25477 3201 1 18 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.255 -0.499 25477 3202 1 18 . 1 1 21 21 GLN H H 21 9.883 9.883 7.708 2.175 25477 3203 1 18 . 1 1 22 22 LYS N N 22 117.108 117.108 118.275 -1.167 25477 3204 1 18 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.447 0.001 25477 3205 1 18 . 1 1 22 22 LYS H H 22 8.086 8.086 7.596 0.490 25477 3206 1 18 . 1 1 23 23 ALA N N 23 119.728 119.728 121.316 -1.588 25477 3207 1 18 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.369 0.007 25477 3208 1 18 . 1 1 23 23 ALA H H 23 8.047 8.047 7.948 0.099 25477 3209 1 18 . 1 1 24 24 VAL N N 24 118.949 118.949 116.925 2.024 25477 3210 1 18 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.468 -0.644 25477 3211 1 18 . 1 1 24 24 VAL H H 24 8.394 8.394 7.553 0.841 25477 3212 1 18 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.232 -0.009 25477 3213 1 18 . 1 1 26 26 ASP N N 26 118.341 118.341 116.518 1.823 25477 3214 1 18 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.809 -0.410 25477 3215 1 18 . 1 1 26 26 ASP H H 26 7.169 7.169 7.801 -0.632 25477 3216 1 18 . 1 1 27 27 CYS N N 27 124.578 124.578 122.936 1.642 25477 3217 1 18 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.155 -2.109 25477 3218 1 18 . 1 1 27 27 CYS H H 27 7.468 7.468 9.074 -1.606 25477 3219 1 18 . 1 1 28 28 LYS N N 28 115.097 115.097 117.589 -2.492 25477 3220 1 18 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.454 1.060 25477 3221 1 18 . 1 1 28 28 LYS H H 28 8.329 8.329 7.936 0.393 25477 3222 1 18 . 1 1 29 29 LYS N N 29 118.552 118.552 121.276 -2.724 25477 3223 1 18 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.065 -0.278 25477 3224 1 18 . 1 1 29 29 LYS H H 29 7.449 7.449 8.727 -1.278 25477 3225 1 18 . 1 1 30 30 CYS N N 30 111.091 111.091 114.399 -3.308 25477 3226 1 18 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.523 -0.124 25477 3227 1 18 . 1 1 30 30 CYS H H 30 6.636 6.636 8.338 -1.702 25477 3228 1 18 . 1 1 31 31 HIS N N 31 122.497 122.497 119.052 3.445 25477 3229 1 18 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.392 5.839 25477 3230 1 18 . 1 1 31 31 HIS H H 31 11.948 11.948 8.316 3.632 25477 3231 1 18 . 1 1 32 32 GLU N N 32 128.508 128.508 116.852 11.656 25477 3232 1 18 . 1 1 32 32 GLU HA H 32 5.147 5.147 3.965 1.182 25477 3233 1 18 . 1 1 32 32 GLU H H 32 10.401 10.401 8.635 1.766 25477 3234 1 18 . 1 1 33 33 LYS N N 33 117.199 117.199 120.524 -3.325 25477 3235 1 18 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.192 1.112 25477 3236 1 18 . 1 1 33 33 LYS H H 33 10.277 10.277 8.461 1.816 25477 3237 1 18 . 1 1 34 34 GLY N N 34 109.000 109.000 104.318 4.682 25477 3238 1 18 . 1 1 34 34 GLY H H 34 8.997 8.997 7.768 1.229 25477 3239 1 18 . 1 1 35 35 PRO HA H 35 6.237 6.237 4.101 2.136 25477 3240 1 18 . 1 1 37 37 LYS N N 37 118.406 118.406 122.942 -4.536 25477 3241 1 18 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.261 -1.455 25477 3242 1 18 . 1 1 37 37 LYS H H 37 7.501 7.501 8.288 -0.787 25477 3243 1 18 . 1 1 38 38 ILE N N 38 128.016 128.016 124.287 3.729 25477 3244 1 18 . 1 1 38 38 ILE HA H 38 5.325 5.325 3.868 1.457 25477 3245 1 18 . 1 1 38 38 ILE H H 38 9.561 9.561 7.936 1.625 25477 3246 1 18 . 1 1 39 39 GLU N N 39 131.257 131.257 128.265 2.992 25477 3247 1 18 . 1 1 39 39 GLU HA H 39 4.048 4.048 3.978 0.070 25477 3248 1 18 . 1 1 39 39 GLU H H 39 9.317 9.317 8.784 0.533 25477 3249 1 18 . 1 1 40 40 GLY N N 40 112.897 112.897 112.478 0.419 25477 3250 1 18 . 1 1 40 40 GLY H H 40 8.977 8.977 8.647 0.330 25477 3251 1 18 . 1 1 41 41 PHE N N 41 121.371 121.371 123.127 -1.756 25477 3252 1 18 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.300 -0.759 25477 3253 1 18 . 1 1 41 41 PHE H H 41 7.595 7.595 7.900 -0.305 25477 3254 1 18 . 1 1 42 42 GLY H H 42 4.698 4.698 7.940 -3.242 25477 3255 1 18 . 1 1 43 43 LYS N N 43 121.161 121.161 121.072 0.089 25477 3256 1 18 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.120 -4.238 25477 3257 1 18 . 1 1 43 43 LYS H H 43 7.221 7.221 8.598 -1.377 25477 3258 1 18 . 1 1 44 44 GLU N N 44 117.347 117.347 120.288 -2.941 25477 3259 1 18 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.033 2.095 25477 3260 1 18 . 1 1 44 44 GLU H H 44 8.811 8.811 8.611 0.200 25477 3261 1 18 . 1 1 45 45 MET N N 45 119.032 119.032 117.252 1.780 25477 3262 1 18 . 1 1 45 45 MET HA H 45 4.195 4.195 4.074 0.121 25477 3263 1 18 . 1 1 45 45 MET H H 45 8.202 8.202 7.937 0.265 25477 3264 1 18 . 1 1 46 46 ALA N N 46 120.454 120.454 121.458 -1.004 25477 3265 1 18 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.798 -2.070 25477 3266 1 18 . 1 1 46 46 ALA H H 46 7.585 7.585 7.943 -0.358 25477 3267 1 18 . 1 1 47 47 HIS N N 47 118.598 118.598 115.707 2.891 25477 3268 1 18 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.238 4.036 25477 3269 1 18 . 1 1 47 47 HIS H H 47 11.691 11.691 7.634 4.057 25477 3270 1 18 . 1 1 48 48 GLY N N 48 112.155 112.155 106.364 5.791 25477 3271 1 18 . 1 1 48 48 GLY H H 48 8.572 8.572 7.778 0.794 25477 3272 1 18 . 1 1 49 49 LYS N N 49 126.044 126.044 121.322 4.722 25477 3273 1 18 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.266 -0.949 25477 3274 1 18 . 1 1 49 49 LYS H H 49 9.177 9.177 8.404 0.773 25477 3275 1 18 . 1 1 50 50 GLY N N 50 104.401 104.401 105.750 -1.349 25477 3276 1 18 . 1 1 50 50 GLY H H 50 7.684 7.684 7.484 0.200 25477 3277 1 18 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.122 -6.041 25477 3278 1 18 . 1 1 51 51 CYS H H 51 4.993 4.993 7.922 -2.929 25477 3279 1 18 . 1 1 52 52 LYS N N 52 121.643 121.643 122.701 -1.058 25477 3280 1 18 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.467 1.078 25477 3281 1 18 . 1 1 52 52 LYS H H 52 7.729 7.729 7.974 -0.245 25477 3282 1 18 . 1 1 53 53 GLY N N 53 104.830 104.830 108.549 -3.719 25477 3283 1 18 . 1 1 53 53 GLY H H 53 9.306 9.306 8.774 0.532 25477 3284 1 18 . 1 1 54 54 CYS N N 54 118.874 118.874 122.427 -3.553 25477 3285 1 18 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.947 0.468 25477 3286 1 18 . 1 1 54 54 CYS H H 54 6.172 6.172 8.321 -2.149 25477 3287 1 18 . 1 1 55 55 HIS N N 55 119.047 119.047 118.515 0.532 25477 3288 1 18 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.442 4.115 25477 3289 1 18 . 1 1 55 55 HIS H H 55 10.083 10.083 7.788 2.295 25477 3290 1 18 . 1 1 56 56 GLU N N 56 119.125 119.125 117.820 1.305 25477 3291 1 18 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.153 0.627 25477 3292 1 18 . 1 1 56 56 GLU H H 56 9.871 9.871 8.350 1.521 25477 3293 1 18 . 1 1 57 57 GLU N N 57 120.962 120.962 119.146 1.816 25477 3294 1 18 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.235 0.066 25477 3295 1 18 . 1 1 57 57 GLU H H 57 8.337 8.337 8.186 0.151 25477 3296 1 18 . 1 1 58 58 MET N N 58 114.871 114.871 117.374 -2.503 25477 3297 1 18 . 1 1 58 58 MET HA H 58 4.270 4.270 4.295 -0.025 25477 3298 1 18 . 1 1 58 58 MET H H 58 9.289 9.289 8.302 0.987 25477 3299 1 18 . 1 1 59 59 LYS N N 59 115.252 115.252 116.177 -0.925 25477 3300 1 18 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.058 0.133 25477 3301 1 18 . 1 1 59 59 LYS H H 59 8.157 8.157 7.796 0.361 25477 3302 1 18 . 1 1 60 60 LYS N N 60 118.225 118.225 117.119 1.106 25477 3303 1 18 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.549 -0.684 25477 3304 1 18 . 1 1 60 60 LYS H H 60 8.245 8.245 7.873 0.372 25477 3305 1 18 . 1 1 61 61 GLY N N 61 102.395 102.395 109.548 -7.153 25477 3306 1 18 . 1 1 61 61 GLY H H 61 6.115 6.115 8.221 -2.106 25477 3307 1 18 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.767 -0.253 25477 3308 1 18 . 1 1 63 63 THR N N 63 111.336 111.336 112.261 -0.925 25477 3309 1 18 . 1 1 63 63 THR HA H 63 4.951 4.951 4.406 0.545 25477 3310 1 18 . 1 1 63 63 THR H H 63 8.757 8.757 8.435 0.322 25477 3311 1 18 . 1 1 64 64 LYS N N 64 123.633 123.633 122.691 0.942 25477 3312 1 18 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.318 -0.317 25477 3313 1 18 . 1 1 64 64 LYS H H 64 8.034 8.034 7.916 0.118 25477 3314 1 18 . 1 1 65 65 CYS N N 65 116.426 116.426 119.711 -3.285 25477 3315 1 18 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.407 -5.792 25477 3316 1 18 . 1 1 65 65 CYS H H 65 6.648 6.648 8.743 -2.095 25477 3317 1 18 . 1 1 66 66 GLY N N 66 102.751 102.751 108.544 -5.793 25477 3318 1 18 . 1 1 66 66 GLY H H 66 8.344 8.344 8.808 -0.464 25477 3319 1 18 . 1 1 67 67 GLU N N 67 115.893 115.893 119.460 -3.567 25477 3320 1 18 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.314 -0.173 25477 3321 1 18 . 1 1 67 67 GLU H H 67 6.998 6.998 8.375 -1.377 25477 3322 1 18 . 1 1 68 68 CYS N N 68 113.306 113.306 116.637 -3.331 25477 3323 1 18 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.415 1.127 25477 3324 1 18 . 1 1 68 68 CYS H H 68 6.644 6.644 8.281 -1.637 25477 3325 1 18 . 1 1 69 69 HIS N N 69 121.421 121.421 118.635 2.786 25477 3326 1 18 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.488 5.026 25477 3327 1 18 . 1 1 69 69 HIS H H 69 11.614 11.614 8.678 2.936 25477 3328 1 18 . 1 1 70 70 LYS N N 70 127.268 127.268 125.630 1.638 25477 3329 1 18 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.506 1.328 25477 3330 1 18 . 1 1 70 70 LYS H H 70 10.287 10.287 8.051 2.236 25477 3331 1 19 . 1 1 2 2 ASP N N 2 124.367 124.367 118.497 5.870 25477 3332 1 19 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.608 2.639 25477 3333 1 19 . 1 1 2 2 ASP H H 2 10.343 10.343 8.389 1.954 25477 3334 1 19 . 1 1 3 3 ASP N N 3 120.501 120.501 120.021 0.480 25477 3335 1 19 . 1 1 3 3 ASP HA H 3 7.279 7.279 5.039 2.240 25477 3336 1 19 . 1 1 3 3 ASP H H 3 9.546 9.546 8.258 1.288 25477 3337 1 19 . 1 1 4 4 ILE N N 4 123.994 123.994 124.302 -0.308 25477 3338 1 19 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.297 0.802 25477 3339 1 19 . 1 1 4 4 ILE H H 4 10.258 10.258 9.134 1.124 25477 3340 1 19 . 1 1 5 5 VAL N N 5 129.474 129.474 128.497 0.977 25477 3341 1 19 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.356 0.576 25477 3342 1 19 . 1 1 5 5 VAL H H 5 9.384 9.384 8.750 0.634 25477 3343 1 19 . 1 1 6 6 LEU N N 6 132.431 132.431 129.529 2.902 25477 3344 1 19 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.483 0.059 25477 3345 1 19 . 1 1 6 6 LEU H H 6 9.655 9.655 8.240 1.415 25477 3346 1 19 . 1 1 7 7 LYS N N 7 124.598 124.598 124.705 -0.107 25477 3347 1 19 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.027 0.920 25477 3348 1 19 . 1 1 7 7 LYS H H 7 8.556 8.556 7.865 0.691 25477 3349 1 19 . 1 1 8 8 ALA N N 8 124.683 124.683 126.775 -2.092 25477 3350 1 19 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.633 0.149 25477 3351 1 19 . 1 1 8 8 ALA H H 8 10.136 10.136 8.032 2.104 25477 3352 1 19 . 1 1 9 9 LYS N N 9 125.212 125.212 121.361 3.851 25477 3353 1 19 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.334 0.003 25477 3354 1 19 . 1 1 9 9 LYS H H 9 10.009 10.009 8.479 1.530 25477 3355 1 19 . 1 1 10 10 ASN N N 10 114.864 114.864 116.816 -1.952 25477 3356 1 19 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.685 0.422 25477 3357 1 19 . 1 1 10 10 ASN H H 10 9.692 9.692 7.768 1.924 25477 3358 1 19 . 1 1 11 11 GLY N N 11 113.592 113.592 107.700 5.892 25477 3359 1 19 . 1 1 11 11 GLY H H 11 9.484 9.484 7.884 1.600 25477 3360 1 19 . 1 1 12 12 ASP N N 12 133.500 133.500 122.836 10.664 25477 3361 1 19 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.728 2.258 25477 3362 1 19 . 1 1 12 12 ASP H H 12 10.354 10.354 8.549 1.805 25477 3363 1 19 . 1 1 13 13 VAL N N 13 122.888 122.888 119.626 3.262 25477 3364 1 19 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.863 1.901 25477 3365 1 19 . 1 1 13 13 VAL H H 13 10.729 10.729 8.135 2.594 25477 3366 1 19 . 1 1 14 14 LYS N N 14 130.045 130.045 128.283 1.762 25477 3367 1 19 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.483 0.591 25477 3368 1 19 . 1 1 14 14 LYS H H 14 9.987 9.987 8.515 1.472 25477 3369 1 19 . 1 1 15 15 PHE N N 15 126.228 126.228 126.069 0.159 25477 3370 1 19 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.922 0.893 25477 3371 1 19 . 1 1 15 15 PHE H H 15 9.869 9.869 8.160 1.709 25477 3372 1 19 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.625 2.760 25477 3373 1 19 . 1 1 17 17 HIS N N 17 138.291 138.291 127.509 10.782 25477 3374 1 19 . 1 1 17 17 HIS HA H 17 8.377 8.377 4.174 4.203 25477 3375 1 19 . 1 1 17 17 HIS H H 17 11.607 11.607 9.095 2.512 25477 3376 1 19 . 1 1 18 18 LYS N N 18 126.220 126.220 120.241 5.979 25477 3377 1 19 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.100 3.347 25477 3378 1 19 . 1 1 18 18 LYS H H 18 12.968 12.968 7.903 5.065 25477 3379 1 19 . 1 1 19 19 ALA N N 19 124.418 124.418 120.116 4.302 25477 3380 1 19 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.204 1.374 25477 3381 1 19 . 1 1 19 19 ALA H H 19 10.987 10.987 8.068 2.919 25477 3382 1 19 . 1 1 20 20 HIS N N 20 118.446 118.446 117.633 0.813 25477 3383 1 19 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.437 3.487 25477 3384 1 19 . 1 1 20 20 HIS H H 20 12.109 12.109 8.089 4.020 25477 3385 1 19 . 1 1 21 21 GLN N N 21 121.637 121.637 118.215 3.422 25477 3386 1 19 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.369 -0.613 25477 3387 1 19 . 1 1 21 21 GLN H H 21 9.883 9.883 7.972 1.911 25477 3388 1 19 . 1 1 22 22 LYS N N 22 117.108 117.108 117.561 -0.453 25477 3389 1 19 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.477 -0.029 25477 3390 1 19 . 1 1 22 22 LYS H H 22 8.086 8.086 7.796 0.290 25477 3391 1 19 . 1 1 23 23 ALA N N 23 119.728 119.728 121.508 -1.780 25477 3392 1 19 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.560 -0.184 25477 3393 1 19 . 1 1 23 23 ALA H H 23 8.047 8.047 7.587 0.460 25477 3394 1 19 . 1 1 24 24 VAL N N 24 118.949 118.949 119.057 -0.108 25477 3395 1 19 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.491 -0.667 25477 3396 1 19 . 1 1 24 24 VAL H H 24 8.394 8.394 7.986 0.408 25477 3397 1 19 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.202 0.021 25477 3398 1 19 . 1 1 26 26 ASP N N 26 118.341 118.341 116.149 2.192 25477 3399 1 19 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.693 -0.294 25477 3400 1 19 . 1 1 26 26 ASP H H 26 7.169 7.169 7.673 -0.504 25477 3401 1 19 . 1 1 27 27 CYS N N 27 124.578 124.578 124.507 0.071 25477 3402 1 19 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.384 -2.338 25477 3403 1 19 . 1 1 27 27 CYS H H 27 7.468 7.468 8.757 -1.289 25477 3404 1 19 . 1 1 28 28 LYS N N 28 115.097 115.097 117.620 -2.523 25477 3405 1 19 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.003 1.511 25477 3406 1 19 . 1 1 28 28 LYS H H 28 8.329 8.329 8.602 -0.273 25477 3407 1 19 . 1 1 29 29 LYS N N 29 118.552 118.552 119.161 -0.609 25477 3408 1 19 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.274 -0.487 25477 3409 1 19 . 1 1 29 29 LYS H H 29 7.449 7.449 8.178 -0.729 25477 3410 1 19 . 1 1 30 30 CYS N N 30 111.091 111.091 115.279 -4.188 25477 3411 1 19 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.554 -0.155 25477 3412 1 19 . 1 1 30 30 CYS H H 30 6.636 6.636 8.371 -1.735 25477 3413 1 19 . 1 1 31 31 HIS N N 31 122.497 122.497 119.847 2.650 25477 3414 1 19 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.338 5.893 25477 3415 1 19 . 1 1 31 31 HIS H H 31 11.948 11.948 8.368 3.580 25477 3416 1 19 . 1 1 32 32 GLU N N 32 128.508 128.508 118.374 10.134 25477 3417 1 19 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.037 1.110 25477 3418 1 19 . 1 1 32 32 GLU H H 32 10.401 10.401 8.661 1.740 25477 3419 1 19 . 1 1 33 33 LYS N N 33 117.199 117.199 121.460 -4.261 25477 3420 1 19 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.228 1.076 25477 3421 1 19 . 1 1 33 33 LYS H H 33 10.277 10.277 8.714 1.563 25477 3422 1 19 . 1 1 34 34 GLY N N 34 109.000 109.000 106.157 2.843 25477 3423 1 19 . 1 1 34 34 GLY H H 34 8.997 8.997 7.798 1.199 25477 3424 1 19 . 1 1 35 35 PRO HA H 35 6.237 6.237 4.367 1.870 25477 3425 1 19 . 1 1 37 37 LYS N N 37 118.406 118.406 122.711 -4.305 25477 3426 1 19 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.335 -1.529 25477 3427 1 19 . 1 1 37 37 LYS H H 37 7.501 7.501 8.275 -0.774 25477 3428 1 19 . 1 1 38 38 ILE N N 38 128.016 128.016 124.521 3.495 25477 3429 1 19 . 1 1 38 38 ILE HA H 38 5.325 5.325 3.918 1.407 25477 3430 1 19 . 1 1 38 38 ILE H H 38 9.561 9.561 8.472 1.089 25477 3431 1 19 . 1 1 39 39 GLU N N 39 131.257 131.257 128.614 2.643 25477 3432 1 19 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.022 0.026 25477 3433 1 19 . 1 1 39 39 GLU H H 39 9.317 9.317 8.807 0.510 25477 3434 1 19 . 1 1 40 40 GLY N N 40 112.897 112.897 112.126 0.771 25477 3435 1 19 . 1 1 40 40 GLY H H 40 8.977 8.977 8.656 0.321 25477 3436 1 19 . 1 1 41 41 PHE N N 41 121.371 121.371 125.443 -4.072 25477 3437 1 19 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.203 -0.662 25477 3438 1 19 . 1 1 41 41 PHE H H 41 7.595 7.595 8.051 -0.456 25477 3439 1 19 . 1 1 42 42 GLY H H 42 4.698 4.698 7.566 -2.868 25477 3440 1 19 . 1 1 43 43 LYS N N 43 121.161 121.161 120.863 0.298 25477 3441 1 19 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.201 -4.319 25477 3442 1 19 . 1 1 43 43 LYS H H 43 7.221 7.221 8.548 -1.327 25477 3443 1 19 . 1 1 44 44 GLU N N 44 117.347 117.347 120.484 -3.137 25477 3444 1 19 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.102 2.026 25477 3445 1 19 . 1 1 44 44 GLU H H 44 8.811 8.811 8.631 0.180 25477 3446 1 19 . 1 1 45 45 MET N N 45 119.032 119.032 116.260 2.772 25477 3447 1 19 . 1 1 45 45 MET HA H 45 4.195 4.195 4.055 0.140 25477 3448 1 19 . 1 1 45 45 MET H H 45 8.202 8.202 7.884 0.318 25477 3449 1 19 . 1 1 46 46 ALA N N 46 120.454 120.454 121.820 -1.366 25477 3450 1 19 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.834 -2.106 25477 3451 1 19 . 1 1 46 46 ALA H H 46 7.585 7.585 7.835 -0.250 25477 3452 1 19 . 1 1 47 47 HIS N N 47 118.598 118.598 116.343 2.255 25477 3453 1 19 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.292 3.982 25477 3454 1 19 . 1 1 47 47 HIS H H 47 11.691 11.691 7.552 4.139 25477 3455 1 19 . 1 1 48 48 GLY N N 48 112.155 112.155 107.175 4.980 25477 3456 1 19 . 1 1 48 48 GLY H H 48 8.572 8.572 7.271 1.301 25477 3457 1 19 . 1 1 49 49 LYS N N 49 126.044 126.044 121.329 4.715 25477 3458 1 19 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.355 -1.038 25477 3459 1 19 . 1 1 49 49 LYS H H 49 9.177 9.177 8.342 0.835 25477 3460 1 19 . 1 1 50 50 GLY N N 50 104.401 104.401 105.173 -0.772 25477 3461 1 19 . 1 1 50 50 GLY H H 50 7.684 7.684 7.649 0.035 25477 3462 1 19 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.243 -6.162 25477 3463 1 19 . 1 1 51 51 CYS H H 51 4.993 4.993 8.158 -3.165 25477 3464 1 19 . 1 1 52 52 LYS N N 52 121.643 121.643 122.513 -0.870 25477 3465 1 19 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.718 0.827 25477 3466 1 19 . 1 1 52 52 LYS H H 52 7.729 7.729 8.097 -0.368 25477 3467 1 19 . 1 1 53 53 GLY N N 53 104.830 104.830 108.924 -4.094 25477 3468 1 19 . 1 1 53 53 GLY H H 53 9.306 9.306 8.665 0.641 25477 3469 1 19 . 1 1 54 54 CYS N N 54 118.874 118.874 122.258 -3.384 25477 3470 1 19 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.954 0.461 25477 3471 1 19 . 1 1 54 54 CYS H H 54 6.172 6.172 8.337 -2.165 25477 3472 1 19 . 1 1 55 55 HIS N N 55 119.047 119.047 118.800 0.247 25477 3473 1 19 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.454 4.103 25477 3474 1 19 . 1 1 55 55 HIS H H 55 10.083 10.083 7.945 2.138 25477 3475 1 19 . 1 1 56 56 GLU N N 56 119.125 119.125 118.534 0.591 25477 3476 1 19 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.103 0.677 25477 3477 1 19 . 1 1 56 56 GLU H H 56 9.871 9.871 8.115 1.756 25477 3478 1 19 . 1 1 57 57 GLU N N 57 120.962 120.962 118.212 2.750 25477 3479 1 19 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.251 0.050 25477 3480 1 19 . 1 1 57 57 GLU H H 57 8.337 8.337 8.100 0.237 25477 3481 1 19 . 1 1 58 58 MET N N 58 114.871 114.871 117.607 -2.736 25477 3482 1 19 . 1 1 58 58 MET HA H 58 4.270 4.270 4.329 -0.059 25477 3483 1 19 . 1 1 58 58 MET H H 58 9.289 9.289 8.493 0.796 25477 3484 1 19 . 1 1 59 59 LYS N N 59 115.252 115.252 114.364 0.888 25477 3485 1 19 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.977 0.214 25477 3486 1 19 . 1 1 59 59 LYS H H 59 8.157 8.157 8.055 0.102 25477 3487 1 19 . 1 1 60 60 LYS N N 60 118.225 118.225 118.775 -0.550 25477 3488 1 19 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.496 -0.631 25477 3489 1 19 . 1 1 60 60 LYS H H 60 8.245 8.245 7.546 0.699 25477 3490 1 19 . 1 1 61 61 GLY N N 61 102.395 102.395 109.446 -7.051 25477 3491 1 19 . 1 1 61 61 GLY H H 61 6.115 6.115 8.081 -1.966 25477 3492 1 19 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.777 -0.263 25477 3493 1 19 . 1 1 63 63 THR N N 63 111.336 111.336 110.269 1.067 25477 3494 1 19 . 1 1 63 63 THR HA H 63 4.951 4.951 4.476 0.475 25477 3495 1 19 . 1 1 63 63 THR H H 63 8.757 8.757 8.083 0.674 25477 3496 1 19 . 1 1 64 64 LYS N N 64 123.633 123.633 122.057 1.576 25477 3497 1 19 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.399 -0.398 25477 3498 1 19 . 1 1 64 64 LYS H H 64 8.034 8.034 7.981 0.053 25477 3499 1 19 . 1 1 65 65 CYS N N 65 116.426 116.426 120.016 -3.590 25477 3500 1 19 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.457 -5.842 25477 3501 1 19 . 1 1 65 65 CYS H H 65 6.648 6.648 8.775 -2.127 25477 3502 1 19 . 1 1 66 66 GLY N N 66 102.751 102.751 108.592 -5.841 25477 3503 1 19 . 1 1 66 66 GLY H H 66 8.344 8.344 8.783 -0.439 25477 3504 1 19 . 1 1 67 67 GLU N N 67 115.893 115.893 119.365 -3.472 25477 3505 1 19 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.362 -0.221 25477 3506 1 19 . 1 1 67 67 GLU H H 67 6.998 6.998 8.344 -1.346 25477 3507 1 19 . 1 1 68 68 CYS N N 68 113.306 113.306 116.851 -3.545 25477 3508 1 19 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.421 1.121 25477 3509 1 19 . 1 1 68 68 CYS H H 68 6.644 6.644 8.088 -1.444 25477 3510 1 19 . 1 1 69 69 HIS N N 69 121.421 121.421 117.766 3.655 25477 3511 1 19 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.645 4.869 25477 3512 1 19 . 1 1 69 69 HIS H H 69 11.614 11.614 8.706 2.908 25477 3513 1 19 . 1 1 70 70 LYS N N 70 127.268 127.268 120.826 6.442 25477 3514 1 19 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.660 1.174 25477 3515 1 19 . 1 1 70 70 LYS H H 70 10.287 10.287 8.317 1.970 25477 3516 1 20 . 1 1 2 2 ASP N N 2 124.367 124.367 119.463 4.904 25477 3517 1 20 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.618 2.629 25477 3518 1 20 . 1 1 2 2 ASP H H 2 10.343 10.343 8.412 1.931 25477 3519 1 20 . 1 1 3 3 ASP N N 3 120.501 120.501 119.538 0.963 25477 3520 1 20 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.944 2.335 25477 3521 1 20 . 1 1 3 3 ASP H H 3 9.546 9.546 8.184 1.362 25477 3522 1 20 . 1 1 4 4 ILE N N 4 123.994 123.994 124.398 -0.404 25477 3523 1 20 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.344 0.755 25477 3524 1 20 . 1 1 4 4 ILE H H 4 10.258 10.258 9.078 1.180 25477 3525 1 20 . 1 1 5 5 VAL N N 5 129.474 129.474 128.442 1.032 25477 3526 1 20 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.594 0.338 25477 3527 1 20 . 1 1 5 5 VAL H H 5 9.384 9.384 8.746 0.638 25477 3528 1 20 . 1 1 6 6 LEU N N 6 132.431 132.431 130.153 2.278 25477 3529 1 20 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.553 -0.011 25477 3530 1 20 . 1 1 6 6 LEU H H 6 9.655 9.655 8.074 1.581 25477 3531 1 20 . 1 1 7 7 LYS N N 7 124.598 124.598 121.008 3.590 25477 3532 1 20 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.002 0.945 25477 3533 1 20 . 1 1 7 7 LYS H H 7 8.556 8.556 8.009 0.547 25477 3534 1 20 . 1 1 8 8 ALA N N 8 124.683 124.683 127.968 -3.285 25477 3535 1 20 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.468 0.314 25477 3536 1 20 . 1 1 8 8 ALA H H 8 10.136 10.136 8.400 1.736 25477 3537 1 20 . 1 1 9 9 LYS N N 9 125.212 125.212 119.508 5.704 25477 3538 1 20 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.297 0.040 25477 3539 1 20 . 1 1 9 9 LYS H H 9 10.009 10.009 8.537 1.472 25477 3540 1 20 . 1 1 10 10 ASN N N 10 114.864 114.864 117.132 -2.268 25477 3541 1 20 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.763 0.344 25477 3542 1 20 . 1 1 10 10 ASN H H 10 9.692 9.692 7.658 2.034 25477 3543 1 20 . 1 1 11 11 GLY N N 11 113.592 113.592 109.637 3.955 25477 3544 1 20 . 1 1 11 11 GLY H H 11 9.484 9.484 8.017 1.467 25477 3545 1 20 . 1 1 12 12 ASP N N 12 133.500 133.500 122.717 10.783 25477 3546 1 20 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.704 2.282 25477 3547 1 20 . 1 1 12 12 ASP H H 12 10.354 10.354 8.393 1.961 25477 3548 1 20 . 1 1 13 13 VAL N N 13 122.888 122.888 118.584 4.304 25477 3549 1 20 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.960 1.804 25477 3550 1 20 . 1 1 13 13 VAL H H 13 10.729 10.729 8.258 2.471 25477 3551 1 20 . 1 1 14 14 LYS N N 14 130.045 130.045 126.964 3.081 25477 3552 1 20 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.681 0.393 25477 3553 1 20 . 1 1 14 14 LYS H H 14 9.987 9.987 8.392 1.595 25477 3554 1 20 . 1 1 15 15 PHE N N 15 126.228 126.228 125.923 0.305 25477 3555 1 20 . 1 1 15 15 PHE HA H 15 5.815 5.815 5.035 0.780 25477 3556 1 20 . 1 1 15 15 PHE H H 15 9.869 9.869 8.113 1.756 25477 3557 1 20 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.650 2.735 25477 3558 1 20 . 1 1 17 17 HIS N N 17 138.291 138.291 126.571 11.720 25477 3559 1 20 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.874 4.503 25477 3560 1 20 . 1 1 17 17 HIS H H 17 11.607 11.607 8.814 2.793 25477 3561 1 20 . 1 1 18 18 LYS N N 18 126.220 126.220 119.714 6.506 25477 3562 1 20 . 1 1 18 18 LYS HA H 18 7.447 7.447 3.971 3.476 25477 3563 1 20 . 1 1 18 18 LYS H H 18 12.968 12.968 7.852 5.116 25477 3564 1 20 . 1 1 19 19 ALA N N 19 124.418 124.418 119.792 4.626 25477 3565 1 20 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.190 1.388 25477 3566 1 20 . 1 1 19 19 ALA H H 19 10.987 10.987 7.387 3.600 25477 3567 1 20 . 1 1 20 20 HIS N N 20 118.446 118.446 115.984 2.462 25477 3568 1 20 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.590 3.334 25477 3569 1 20 . 1 1 20 20 HIS H H 20 12.109 12.109 7.917 4.192 25477 3570 1 20 . 1 1 21 21 GLN N N 21 121.637 121.637 117.223 4.414 25477 3571 1 20 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.433 -0.677 25477 3572 1 20 . 1 1 21 21 GLN H H 21 9.883 9.883 7.473 2.410 25477 3573 1 20 . 1 1 22 22 LYS N N 22 117.108 117.108 118.363 -1.255 25477 3574 1 20 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.392 0.056 25477 3575 1 20 . 1 1 22 22 LYS H H 22 8.086 8.086 7.548 0.538 25477 3576 1 20 . 1 1 23 23 ALA N N 23 119.728 119.728 120.719 -0.991 25477 3577 1 20 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.444 -0.068 25477 3578 1 20 . 1 1 23 23 ALA H H 23 8.047 8.047 8.194 -0.147 25477 3579 1 20 . 1 1 24 24 VAL N N 24 118.949 118.949 118.345 0.604 25477 3580 1 20 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.358 -0.534 25477 3581 1 20 . 1 1 24 24 VAL H H 24 8.394 8.394 7.582 0.812 25477 3582 1 20 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.222 0.001 25477 3583 1 20 . 1 1 26 26 ASP N N 26 118.341 118.341 116.200 2.141 25477 3584 1 20 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.806 -0.407 25477 3585 1 20 . 1 1 26 26 ASP H H 26 7.169 7.169 7.680 -0.511 25477 3586 1 20 . 1 1 27 27 CYS N N 27 124.578 124.578 124.415 0.163 25477 3587 1 20 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.176 -2.130 25477 3588 1 20 . 1 1 27 27 CYS H H 27 7.468 7.468 8.678 -1.210 25477 3589 1 20 . 1 1 28 28 LYS N N 28 115.097 115.097 119.883 -4.786 25477 3590 1 20 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.239 1.275 25477 3591 1 20 . 1 1 28 28 LYS H H 28 8.329 8.329 7.896 0.433 25477 3592 1 20 . 1 1 29 29 LYS N N 29 118.552 118.552 121.118 -2.566 25477 3593 1 20 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.100 -0.313 25477 3594 1 20 . 1 1 29 29 LYS H H 29 7.449 7.449 8.587 -1.138 25477 3595 1 20 . 1 1 30 30 CYS N N 30 111.091 111.091 115.712 -4.621 25477 3596 1 20 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.413 -0.014 25477 3597 1 20 . 1 1 30 30 CYS H H 30 6.636 6.636 7.805 -1.169 25477 3598 1 20 . 1 1 31 31 HIS N N 31 122.497 122.497 118.281 4.216 25477 3599 1 20 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.412 5.819 25477 3600 1 20 . 1 1 31 31 HIS H H 31 11.948 11.948 7.850 4.098 25477 3601 1 20 . 1 1 32 32 GLU N N 32 128.508 128.508 117.854 10.654 25477 3602 1 20 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.128 1.019 25477 3603 1 20 . 1 1 32 32 GLU H H 32 10.401 10.401 8.584 1.817 25477 3604 1 20 . 1 1 33 33 LYS N N 33 117.199 117.199 118.653 -1.454 25477 3605 1 20 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.135 1.169 25477 3606 1 20 . 1 1 33 33 LYS H H 33 10.277 10.277 8.388 1.889 25477 3607 1 20 . 1 1 34 34 GLY N N 34 109.000 109.000 111.021 -2.021 25477 3608 1 20 . 1 1 34 34 GLY H H 34 8.997 8.997 8.174 0.823 25477 3609 1 20 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.658 2.579 25477 3610 1 20 . 1 1 37 37 LYS N N 37 118.406 118.406 119.246 -0.840 25477 3611 1 20 . 1 1 37 37 LYS HA H 37 2.806 2.806 3.995 -1.189 25477 3612 1 20 . 1 1 37 37 LYS H H 37 7.501 7.501 8.297 -0.796 25477 3613 1 20 . 1 1 38 38 ILE N N 38 128.016 128.016 123.503 4.513 25477 3614 1 20 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.115 1.210 25477 3615 1 20 . 1 1 38 38 ILE H H 38 9.561 9.561 8.291 1.270 25477 3616 1 20 . 1 1 39 39 GLU N N 39 131.257 131.257 127.020 4.237 25477 3617 1 20 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.095 -0.047 25477 3618 1 20 . 1 1 39 39 GLU H H 39 9.317 9.317 8.709 0.608 25477 3619 1 20 . 1 1 40 40 GLY N N 40 112.897 112.897 111.769 1.128 25477 3620 1 20 . 1 1 40 40 GLY H H 40 8.977 8.977 8.239 0.738 25477 3621 1 20 . 1 1 41 41 PHE N N 41 121.371 121.371 122.917 -1.546 25477 3622 1 20 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.170 -0.629 25477 3623 1 20 . 1 1 41 41 PHE H H 41 7.595 7.595 8.161 -0.566 25477 3624 1 20 . 1 1 42 42 GLY H H 42 4.698 4.698 7.299 -2.601 25477 3625 1 20 . 1 1 43 43 LYS N N 43 121.161 121.161 122.288 -1.127 25477 3626 1 20 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 4.162 -4.280 25477 3627 1 20 . 1 1 43 43 LYS H H 43 7.221 7.221 8.486 -1.265 25477 3628 1 20 . 1 1 44 44 GLU N N 44 117.347 117.347 119.573 -2.226 25477 3629 1 20 . 1 1 44 44 GLU HA H 44 6.128 6.128 3.930 2.198 25477 3630 1 20 . 1 1 44 44 GLU H H 44 8.811 8.811 8.810 0.001 25477 3631 1 20 . 1 1 45 45 MET N N 45 119.032 119.032 118.228 0.804 25477 3632 1 20 . 1 1 45 45 MET HA H 45 4.195 4.195 3.991 0.204 25477 3633 1 20 . 1 1 45 45 MET H H 45 8.202 8.202 7.945 0.257 25477 3634 1 20 . 1 1 46 46 ALA N N 46 120.454 120.454 120.728 -0.274 25477 3635 1 20 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.923 -2.195 25477 3636 1 20 . 1 1 46 46 ALA H H 46 7.585 7.585 8.346 -0.761 25477 3637 1 20 . 1 1 47 47 HIS N N 47 118.598 118.598 117.010 1.588 25477 3638 1 20 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.214 4.060 25477 3639 1 20 . 1 1 47 47 HIS H H 47 11.691 11.691 7.787 3.904 25477 3640 1 20 . 1 1 48 48 GLY N N 48 112.155 112.155 106.608 5.547 25477 3641 1 20 . 1 1 48 48 GLY H H 48 8.572 8.572 7.882 0.690 25477 3642 1 20 . 1 1 49 49 LYS N N 49 126.044 126.044 120.643 5.401 25477 3643 1 20 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.190 -0.873 25477 3644 1 20 . 1 1 49 49 LYS H H 49 9.177 9.177 8.477 0.700 25477 3645 1 20 . 1 1 50 50 GLY N N 50 104.401 104.401 103.845 0.556 25477 3646 1 20 . 1 1 50 50 GLY H H 50 7.684 7.684 7.713 -0.029 25477 3647 1 20 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.274 -6.193 25477 3648 1 20 . 1 1 51 51 CYS H H 51 4.993 4.993 7.508 -2.515 25477 3649 1 20 . 1 1 52 52 LYS N N 52 121.643 121.643 122.414 -0.771 25477 3650 1 20 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.603 0.942 25477 3651 1 20 . 1 1 52 52 LYS H H 52 7.729 7.729 7.995 -0.266 25477 3652 1 20 . 1 1 53 53 GLY N N 53 104.830 104.830 108.184 -3.354 25477 3653 1 20 . 1 1 53 53 GLY H H 53 9.306 9.306 8.761 0.545 25477 3654 1 20 . 1 1 54 54 CYS N N 54 118.874 118.874 121.386 -2.512 25477 3655 1 20 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.960 0.455 25477 3656 1 20 . 1 1 54 54 CYS H H 54 6.172 6.172 8.128 -1.956 25477 3657 1 20 . 1 1 55 55 HIS N N 55 119.047 119.047 119.455 -0.408 25477 3658 1 20 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.310 4.247 25477 3659 1 20 . 1 1 55 55 HIS H H 55 10.083 10.083 7.820 2.263 25477 3660 1 20 . 1 1 56 56 GLU N N 56 119.125 119.125 118.770 0.355 25477 3661 1 20 . 1 1 56 56 GLU HA H 56 4.780 4.780 3.890 0.890 25477 3662 1 20 . 1 1 56 56 GLU H H 56 9.871 9.871 8.480 1.391 25477 3663 1 20 . 1 1 57 57 GLU N N 57 120.962 120.962 117.908 3.054 25477 3664 1 20 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.257 0.044 25477 3665 1 20 . 1 1 57 57 GLU H H 57 8.337 8.337 8.175 0.162 25477 3666 1 20 . 1 1 58 58 MET N N 58 114.871 114.871 118.732 -3.861 25477 3667 1 20 . 1 1 58 58 MET HA H 58 4.270 4.270 4.236 0.034 25477 3668 1 20 . 1 1 58 58 MET H H 58 9.289 9.289 8.355 0.934 25477 3669 1 20 . 1 1 59 59 LYS N N 59 115.252 115.252 115.379 -0.127 25477 3670 1 20 . 1 1 59 59 LYS HA H 59 4.191 4.191 3.973 0.218 25477 3671 1 20 . 1 1 59 59 LYS H H 59 8.157 8.157 8.182 -0.025 25477 3672 1 20 . 1 1 60 60 LYS N N 60 118.225 118.225 117.391 0.834 25477 3673 1 20 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.551 -0.686 25477 3674 1 20 . 1 1 60 60 LYS H H 60 8.245 8.245 7.491 0.754 25477 3675 1 20 . 1 1 61 61 GLY N N 61 102.395 102.395 110.017 -7.622 25477 3676 1 20 . 1 1 61 61 GLY H H 61 6.115 6.115 8.375 -2.260 25477 3677 1 20 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.739 -0.225 25477 3678 1 20 . 1 1 63 63 THR N N 63 111.336 111.336 111.744 -0.408 25477 3679 1 20 . 1 1 63 63 THR HA H 63 4.951 4.951 4.428 0.523 25477 3680 1 20 . 1 1 63 63 THR H H 63 8.757 8.757 8.126 0.631 25477 3681 1 20 . 1 1 64 64 LYS N N 64 123.633 123.633 121.845 1.788 25477 3682 1 20 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.272 -0.271 25477 3683 1 20 . 1 1 64 64 LYS H H 64 8.034 8.034 7.913 0.121 25477 3684 1 20 . 1 1 65 65 CYS N N 65 116.426 116.426 119.962 -3.536 25477 3685 1 20 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.384 -5.769 25477 3686 1 20 . 1 1 65 65 CYS H H 65 6.648 6.648 8.672 -2.024 25477 3687 1 20 . 1 1 66 66 GLY N N 66 102.751 102.751 108.831 -6.080 25477 3688 1 20 . 1 1 66 66 GLY H H 66 8.344 8.344 8.702 -0.358 25477 3689 1 20 . 1 1 67 67 GLU N N 67 115.893 115.893 118.476 -2.583 25477 3690 1 20 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.383 -0.242 25477 3691 1 20 . 1 1 67 67 GLU H H 67 6.998 6.998 8.227 -1.229 25477 3692 1 20 . 1 1 68 68 CYS N N 68 113.306 113.306 116.913 -3.607 25477 3693 1 20 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.429 1.113 25477 3694 1 20 . 1 1 68 68 CYS H H 68 6.644 6.644 8.169 -1.525 25477 3695 1 20 . 1 1 69 69 HIS N N 69 121.421 121.421 118.514 2.907 25477 3696 1 20 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.651 4.863 25477 3697 1 20 . 1 1 69 69 HIS H H 69 11.614 11.614 8.667 2.947 25477 3698 1 20 . 1 1 70 70 LYS N N 70 127.268 127.268 122.767 4.501 25477 3699 1 20 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.720 1.114 25477 3700 1 20 . 1 1 70 70 LYS H H 70 10.287 10.287 8.022 2.265 25477 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 62 4.036 -1.127 3.907 25477 2 1 1 "Average Difference" HA 78 2.193 -0.398 2.171 25477 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25477 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25477 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25477 6 1 1 "Average Difference" HN 64 1.850 -0.764 1.698 25477 7 1 2 "Average Difference" N 62 3.727 -0.658 3.698 25477 8 1 2 "Average Difference" HA 78 2.192 -0.406 2.168 25477 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25477 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25477 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25477 12 1 2 "Average Difference" HN 64 1.852 -0.755 1.704 25477 13 1 3 "Average Difference" N 62 3.836 -1.018 3.729 25477 14 1 3 "Average Difference" HA 78 2.182 -0.391 2.161 25477 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25477 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25477 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25477 18 1 3 "Average Difference" HN 64 1.870 -0.750 1.727 25477 19 1 4 "Average Difference" N 62 3.806 -1.042 3.691 25477 20 1 4 "Average Difference" HA 78 2.180 -0.407 2.155 25477 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25477 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25477 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25477 24 1 4 "Average Difference" HN 64 1.850 -0.808 1.677 25477 25 1 5 "Average Difference" N 62 3.920 -1.091 3.796 25477 26 1 5 "Average Difference" HA 78 2.163 -0.390 2.141 25477 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25477 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25477 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25477 30 1 5 "Average Difference" HN 64 1.845 -0.776 1.687 25477 31 1 6 "Average Difference" N 62 3.709 -0.864 3.636 25477 32 1 6 "Average Difference" HA 78 2.158 -0.376 2.139 25477 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25477 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25477 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25477 36 1 6 "Average Difference" HN 64 1.847 -0.786 1.684 25477 37 1 7 "Average Difference" N 62 4.149 -1.135 4.023 25477 38 1 7 "Average Difference" HA 78 2.191 -0.391 2.170 25477 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25477 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25477 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25477 42 1 7 "Average Difference" HN 64 1.839 -0.754 1.690 25477 43 1 8 "Average Difference" N 62 4.191 -1.385 3.988 25477 44 1 8 "Average Difference" HA 78 2.177 -0.388 2.156 25477 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25477 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25477 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25477 48 1 8 "Average Difference" HN 64 1.855 -0.822 1.677 25477 49 1 9 "Average Difference" N 62 4.157 -1.139 4.031 25477 50 1 9 "Average Difference" HA 78 2.174 -0.402 2.150 25477 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25477 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25477 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25477 54 1 9 "Average Difference" HN 64 1.868 -0.802 1.700 25477 55 1 10 "Average Difference" N 62 3.925 -0.958 3.837 25477 56 1 10 "Average Difference" HA 78 2.174 -0.399 2.151 25477 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25477 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25477 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25477 60 1 10 "Average Difference" HN 64 1.819 -0.738 1.675 25477 61 1 11 "Average Difference" N 62 4.117 -0.837 4.064 25477 62 1 11 "Average Difference" HA 78 2.165 -0.385 2.144 25477 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25477 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25477 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25477 66 1 11 "Average Difference" HN 64 1.901 -0.784 1.745 25477 67 1 12 "Average Difference" N 62 3.856 -0.911 3.777 25477 68 1 12 "Average Difference" HA 78 2.207 -0.427 2.179 25477 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25477 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25477 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25477 72 1 12 "Average Difference" HN 64 1.831 -0.757 1.680 25477 73 1 13 "Average Difference" N 62 3.771 -0.940 3.681 25477 74 1 13 "Average Difference" HA 78 2.171 -0.401 2.148 25477 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25477 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25477 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25477 78 1 13 "Average Difference" HN 64 1.860 -0.760 1.711 25477 79 1 14 "Average Difference" N 62 3.967 -1.122 3.836 25477 80 1 14 "Average Difference" HA 78 2.175 -0.362 2.159 25477 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25477 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25477 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25477 84 1 14 "Average Difference" HN 64 1.859 -0.791 1.696 25477 85 1 15 "Average Difference" N 62 4.141 -1.011 4.049 25477 86 1 15 "Average Difference" HA 78 2.177 -0.377 2.158 25477 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25477 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25477 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25477 90 1 15 "Average Difference" HN 64 1.849 -0.726 1.714 25477 91 1 16 "Average Difference" N 62 3.992 -1.131 3.860 25477 92 1 16 "Average Difference" HA 78 2.166 -0.401 2.143 25477 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25477 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25477 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25477 96 1 16 "Average Difference" HN 64 1.832 -0.795 1.664 25477 97 1 17 "Average Difference" N 62 4.187 -0.995 4.101 25477 98 1 17 "Average Difference" HA 78 2.173 -0.415 2.146 25477 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25477 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25477 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25477 102 1 17 "Average Difference" HN 64 1.899 -0.795 1.738 25477 103 1 18 "Average Difference" N 62 4.082 -0.897 4.015 25477 104 1 18 "Average Difference" HA 78 2.184 -0.410 2.160 25477 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25477 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25477 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25477 108 1 18 "Average Difference" HN 64 1.838 -0.713 1.707 25477 109 1 19 "Average Difference" N 62 3.880 -0.822 3.822 25477 110 1 19 "Average Difference" HA 78 2.177 -0.380 2.157 25477 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25477 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25477 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25477 114 1 19 "Average Difference" HN 64 1.791 -0.703 1.660 25477 115 1 20 "Average Difference" N 62 3.997 -0.985 3.905 25477 116 1 20 "Average Difference" HA 78 2.189 -0.409 2.164 25477 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25477 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25477 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25477 120 1 20 "Average Difference" HN 64 1.822 -0.751 1.674 25477 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 25477 _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 ASP N N 2 124.367 124.367 118.752 5.615 25477 2 1 . 1 1 2 2 ASP HA H 2 7.247 7.247 4.514 2.733 25477 3 1 . 1 1 2 2 ASP H H 2 10.343 10.343 8.438 1.905 25477 4 1 . 1 1 3 3 ASP N N 3 120.501 120.501 119.973 0.528 25477 5 1 . 1 1 3 3 ASP HA H 3 7.279 7.279 4.915 2.364 25477 6 1 . 1 1 3 3 ASP H H 3 9.546 9.546 8.064 1.482 25477 7 1 . 1 1 4 4 ILE N N 4 123.994 123.994 125.520 -1.526 25477 8 1 . 1 1 4 4 ILE HA H 4 5.099 5.099 4.340 0.759 25477 9 1 . 1 1 4 4 ILE H H 4 10.258 10.258 8.927 1.331 25477 10 1 . 1 1 5 5 VAL N N 5 129.474 129.474 127.885 1.589 25477 11 1 . 1 1 5 5 VAL HA H 5 4.932 4.932 4.558 0.374 25477 12 1 . 1 1 5 5 VAL H H 5 9.384 9.384 8.721 0.663 25477 13 1 . 1 1 6 6 LEU N N 6 132.431 132.431 129.928 2.503 25477 14 1 . 1 1 6 6 LEU HA H 6 4.542 4.542 4.530 0.012 25477 15 1 . 1 1 6 6 LEU H H 6 9.655 9.655 8.172 1.483 25477 16 1 . 1 1 7 7 LYS N N 7 124.598 124.598 123.300 1.298 25477 17 1 . 1 1 7 7 LYS HA H 7 4.947 4.947 4.084 0.863 25477 18 1 . 1 1 7 7 LYS H H 7 8.556 8.556 7.982 0.574 25477 19 1 . 1 1 8 8 ALA N N 8 124.683 124.683 126.887 -2.204 25477 20 1 . 1 1 8 8 ALA HA H 8 4.782 4.782 4.639 0.143 25477 21 1 . 1 1 8 8 ALA H H 8 10.136 10.136 8.219 1.917 25477 22 1 . 1 1 9 9 LYS N N 9 125.212 125.212 120.487 4.725 25477 23 1 . 1 1 9 9 LYS HA H 9 4.337 4.337 4.240 0.097 25477 24 1 . 1 1 9 9 LYS H H 9 10.009 10.009 8.578 1.431 25477 25 1 . 1 1 10 10 ASN N N 10 114.864 114.864 117.332 -2.468 25477 26 1 . 1 1 10 10 ASN HA H 10 5.107 5.107 4.773 0.334 25477 27 1 . 1 1 10 10 ASN H H 10 9.692 9.692 7.866 1.826 25477 28 1 . 1 1 11 11 GLY N N 11 113.592 113.592 109.531 4.061 25477 29 1 . 1 1 11 11 GLY H H 11 9.484 9.484 7.940 1.544 25477 30 1 . 1 1 12 12 ASP N N 12 133.500 133.500 122.352 11.148 25477 31 1 . 1 1 12 12 ASP HA H 12 6.986 6.986 4.742 2.244 25477 32 1 . 1 1 12 12 ASP H H 12 10.354 10.354 8.443 1.911 25477 33 1 . 1 1 13 13 VAL N N 13 122.888 122.888 118.262 4.626 25477 34 1 . 1 1 13 13 VAL HA H 13 6.764 6.764 4.860 1.904 25477 35 1 . 1 1 13 13 VAL H H 13 10.729 10.729 8.136 2.593 25477 36 1 . 1 1 14 14 LYS N N 14 130.045 130.045 127.623 2.422 25477 37 1 . 1 1 14 14 LYS HA H 14 5.074 5.074 4.524 0.550 25477 38 1 . 1 1 14 14 LYS H H 14 9.987 9.987 8.460 1.527 25477 39 1 . 1 1 15 15 PHE N N 15 126.228 126.228 126.427 -0.199 25477 40 1 . 1 1 15 15 PHE HA H 15 5.815 5.815 4.919 0.896 25477 41 1 . 1 1 15 15 PHE H H 15 9.869 9.869 8.180 1.689 25477 42 1 . 1 1 16 16 PRO HA H 16 7.385 7.385 4.728 2.657 25477 43 1 . 1 1 17 17 HIS N N 17 138.291 138.291 126.709 11.582 25477 44 1 . 1 1 17 17 HIS HA H 17 8.377 8.377 3.782 4.595 25477 45 1 . 1 1 17 17 HIS H H 17 11.607 11.607 8.307 3.300 25477 46 1 . 1 1 18 18 LYS N N 18 126.220 126.220 119.331 6.889 25477 47 1 . 1 1 18 18 LYS HA H 18 7.447 7.447 4.035 3.412 25477 48 1 . 1 1 18 18 LYS H H 18 12.968 12.968 7.923 5.045 25477 49 1 . 1 1 19 19 ALA N N 19 124.418 124.418 120.861 3.557 25477 50 1 . 1 1 19 19 ALA HA H 19 5.578 5.578 4.181 1.397 25477 51 1 . 1 1 19 19 ALA H H 19 10.987 10.987 7.955 3.032 25477 52 1 . 1 1 20 20 HIS N N 20 118.446 118.446 115.665 2.781 25477 53 1 . 1 1 20 20 HIS HA H 20 7.924 7.924 4.506 3.418 25477 54 1 . 1 1 20 20 HIS H H 20 12.109 12.109 7.890 4.219 25477 55 1 . 1 1 21 21 GLN N N 21 121.637 121.637 116.781 4.856 25477 56 1 . 1 1 21 21 GLN HA H 21 3.756 3.756 4.307 -0.551 25477 57 1 . 1 1 21 21 GLN H H 21 9.883 9.883 7.531 2.352 25477 58 1 . 1 1 22 22 LYS N N 22 117.108 117.108 118.223 -1.115 25477 59 1 . 1 1 22 22 LYS HA H 22 4.448 4.448 4.419 0.029 25477 60 1 . 1 1 22 22 LYS H H 22 8.086 8.086 7.592 0.494 25477 61 1 . 1 1 23 23 ALA N N 23 119.728 119.728 121.549 -1.821 25477 62 1 . 1 1 23 23 ALA HA H 23 4.376 4.376 4.409 -0.033 25477 63 1 . 1 1 23 23 ALA H H 23 8.047 8.047 7.917 0.130 25477 64 1 . 1 1 24 24 VAL N N 24 118.949 118.949 118.259 0.690 25477 65 1 . 1 1 24 24 VAL HA H 24 3.824 3.824 4.406 -0.582 25477 66 1 . 1 1 24 24 VAL H H 24 8.394 8.394 7.640 0.754 25477 67 1 . 1 1 25 25 PRO HA H 25 4.223 4.223 4.213 0.010 25477 68 1 . 1 1 26 26 ASP N N 26 118.341 118.341 116.725 1.616 25477 69 1 . 1 1 26 26 ASP HA H 26 4.399 4.399 4.692 -0.293 25477 70 1 . 1 1 26 26 ASP H H 26 7.169 7.169 8.053 -0.884 25477 71 1 . 1 1 27 27 CYS N N 27 124.578 124.578 121.944 2.634 25477 72 1 . 1 1 27 27 CYS HA H 27 2.046 2.046 4.168 -2.122 25477 73 1 . 1 1 27 27 CYS H H 27 7.468 7.468 8.424 -0.956 25477 74 1 . 1 1 28 28 LYS N N 28 115.097 115.097 118.508 -3.411 25477 75 1 . 1 1 28 28 LYS HA H 28 5.514 5.514 4.038 1.476 25477 76 1 . 1 1 28 28 LYS H H 28 8.329 8.329 8.473 -0.144 25477 77 1 . 1 1 29 29 LYS N N 29 118.552 118.552 119.386 -0.834 25477 78 1 . 1 1 29 29 LYS HA H 29 3.787 3.787 4.140 -0.353 25477 79 1 . 1 1 29 29 LYS H H 29 7.449 7.449 8.406 -0.957 25477 80 1 . 1 1 30 30 CYS N N 30 111.091 111.091 114.815 -3.724 25477 81 1 . 1 1 30 30 CYS HA H 30 4.399 4.399 4.497 -0.098 25477 82 1 . 1 1 30 30 CYS H H 30 6.636 6.636 8.004 -1.368 25477 83 1 . 1 1 31 31 HIS N N 31 122.497 122.497 119.858 2.639 25477 84 1 . 1 1 31 31 HIS HA H 31 10.231 10.231 4.609 5.622 25477 85 1 . 1 1 31 31 HIS H H 31 11.948 11.948 8.174 3.774 25477 86 1 . 1 1 32 32 GLU N N 32 128.508 128.508 119.661 8.847 25477 87 1 . 1 1 32 32 GLU HA H 32 5.147 5.147 4.149 0.998 25477 88 1 . 1 1 32 32 GLU H H 32 10.401 10.401 8.176 2.225 25477 89 1 . 1 1 33 33 LYS N N 33 117.199 117.199 119.426 -2.228 25477 90 1 . 1 1 33 33 LYS HA H 33 5.304 5.304 4.286 1.018 25477 91 1 . 1 1 33 33 LYS H H 33 10.277 10.277 8.445 1.832 25477 92 1 . 1 1 34 34 GLY N N 34 109.000 109.000 107.032 1.968 25477 93 1 . 1 1 34 34 GLY H H 34 8.997 8.997 7.890 1.107 25477 94 1 . 1 1 35 35 PRO HA H 35 6.237 6.237 3.878 2.359 25477 95 1 . 1 1 37 37 LYS N N 37 118.406 118.406 120.307 -1.901 25477 96 1 . 1 1 37 37 LYS HA H 37 2.806 2.806 4.163 -1.357 25477 97 1 . 1 1 37 37 LYS H H 37 7.501 7.501 8.228 -0.727 25477 98 1 . 1 1 38 38 ILE N N 38 128.016 128.016 124.902 3.114 25477 99 1 . 1 1 38 38 ILE HA H 38 5.325 5.325 4.063 1.262 25477 100 1 . 1 1 38 38 ILE H H 38 9.561 9.561 8.298 1.263 25477 101 1 . 1 1 39 39 GLU N N 39 131.257 131.257 127.419 3.838 25477 102 1 . 1 1 39 39 GLU HA H 39 4.048 4.048 4.073 -0.025 25477 103 1 . 1 1 39 39 GLU H H 39 9.317 9.317 8.672 0.645 25477 104 1 . 1 1 40 40 GLY N N 40 112.897 112.897 111.242 1.655 25477 105 1 . 1 1 40 40 GLY H H 40 8.977 8.977 8.510 0.467 25477 106 1 . 1 1 41 41 PHE N N 41 121.371 121.371 124.000 -2.629 25477 107 1 . 1 1 41 41 PHE HA H 41 3.541 3.541 4.259 -0.718 25477 108 1 . 1 1 41 41 PHE H H 41 7.595 7.595 7.922 -0.327 25477 109 1 . 1 1 42 42 GLY H H 42 4.698 4.698 7.496 -2.798 25477 110 1 . 1 1 43 43 LYS N N 43 121.161 121.161 120.623 0.538 25477 111 1 . 1 1 43 43 LYS HA H 43 -0.118 -0.118 3.996 -4.114 25477 112 1 . 1 1 43 43 LYS H H 43 7.221 7.221 8.495 -1.274 25477 113 1 . 1 1 44 44 GLU N N 44 117.347 117.347 119.013 -1.666 25477 114 1 . 1 1 44 44 GLU HA H 44 6.128 6.128 4.049 2.079 25477 115 1 . 1 1 44 44 GLU H H 44 8.811 8.811 8.616 0.196 25477 116 1 . 1 1 45 45 MET N N 45 119.032 119.032 117.397 1.635 25477 117 1 . 1 1 45 45 MET HA H 45 4.195 4.195 4.079 0.116 25477 118 1 . 1 1 45 45 MET H H 45 8.202 8.202 7.567 0.635 25477 119 1 . 1 1 46 46 ALA N N 46 120.454 120.454 121.322 -0.868 25477 120 1 . 1 1 46 46 ALA HA H 46 1.728 1.728 3.816 -2.088 25477 121 1 . 1 1 46 46 ALA H H 46 7.585 7.585 7.588 -0.003 25477 122 1 . 1 1 47 47 HIS N N 47 118.598 118.598 115.923 2.675 25477 123 1 . 1 1 47 47 HIS HA H 47 8.274 8.274 4.281 3.993 25477 124 1 . 1 1 47 47 HIS H H 47 11.691 11.691 7.576 4.115 25477 125 1 . 1 1 48 48 GLY N N 48 112.155 112.155 107.263 4.892 25477 126 1 . 1 1 48 48 GLY H H 48 8.572 8.572 7.631 0.941 25477 127 1 . 1 1 49 49 LYS N N 49 126.044 126.044 121.021 5.023 25477 128 1 . 1 1 49 49 LYS HA H 49 3.317 3.317 4.336 -1.019 25477 129 1 . 1 1 49 49 LYS H H 49 9.177 9.177 8.352 0.825 25477 130 1 . 1 1 50 50 GLY N N 50 104.401 104.401 105.501 -1.100 25477 131 1 . 1 1 50 50 GLY H H 50 7.684 7.684 7.646 0.038 25477 132 1 . 1 1 51 51 CYS HA H 51 -1.919 -1.919 4.199 -6.118 25477 133 1 . 1 1 51 51 CYS H H 51 4.993 4.993 8.044 -3.051 25477 134 1 . 1 1 52 52 LYS N N 52 121.643 121.643 122.368 -0.725 25477 135 1 . 1 1 52 52 LYS HA H 52 5.545 5.545 4.668 0.877 25477 136 1 . 1 1 52 52 LYS H H 52 7.729 7.729 7.966 -0.237 25477 137 1 . 1 1 53 53 GLY N N 53 104.830 104.830 108.775 -3.945 25477 138 1 . 1 1 53 53 GLY H H 53 9.306 9.306 8.645 0.661 25477 139 1 . 1 1 54 54 CYS N N 54 118.874 118.874 121.500 -2.626 25477 140 1 . 1 1 54 54 CYS HA H 54 4.415 4.415 3.972 0.443 25477 141 1 . 1 1 54 54 CYS H H 54 6.172 6.172 8.222 -2.050 25477 142 1 . 1 1 55 55 HIS N N 55 119.047 119.047 118.997 0.050 25477 143 1 . 1 1 55 55 HIS HA H 55 8.557 8.557 4.384 4.173 25477 144 1 . 1 1 55 55 HIS H H 55 10.083 10.083 7.814 2.269 25477 145 1 . 1 1 56 56 GLU N N 56 119.125 119.125 118.262 0.863 25477 146 1 . 1 1 56 56 GLU HA H 56 4.780 4.780 4.060 0.720 25477 147 1 . 1 1 56 56 GLU H H 56 9.871 9.871 8.317 1.554 25477 148 1 . 1 1 57 57 GLU N N 57 120.962 120.962 118.284 2.678 25477 149 1 . 1 1 57 57 GLU HA H 57 4.301 4.301 4.257 0.044 25477 150 1 . 1 1 57 57 GLU H H 57 8.337 8.337 8.139 0.198 25477 151 1 . 1 1 58 58 MET N N 58 114.871 114.871 117.864 -2.993 25477 152 1 . 1 1 58 58 MET HA H 58 4.270 4.270 4.288 -0.018 25477 153 1 . 1 1 58 58 MET H H 58 9.289 9.289 8.372 0.917 25477 154 1 . 1 1 59 59 LYS N N 59 115.252 115.252 115.068 0.184 25477 155 1 . 1 1 59 59 LYS HA H 59 4.191 4.191 4.002 0.189 25477 156 1 . 1 1 59 59 LYS H H 59 8.157 8.157 8.108 0.049 25477 157 1 . 1 1 60 60 LYS N N 60 118.225 118.225 117.731 0.494 25477 158 1 . 1 1 60 60 LYS HA H 60 3.865 3.865 4.544 -0.679 25477 159 1 . 1 1 60 60 LYS H H 60 8.245 8.245 7.588 0.657 25477 160 1 . 1 1 61 61 GLY N N 61 102.395 102.395 109.680 -7.285 25477 161 1 . 1 1 61 61 GLY H H 61 6.115 6.115 8.241 -2.126 25477 162 1 . 1 1 62 62 PRO HA H 62 4.514 4.514 4.745 -0.231 25477 163 1 . 1 1 63 63 THR N N 63 111.336 111.336 110.829 0.507 25477 164 1 . 1 1 63 63 THR HA H 63 4.951 4.951 4.453 0.498 25477 165 1 . 1 1 63 63 THR H H 63 8.757 8.757 8.150 0.607 25477 166 1 . 1 1 64 64 LYS N N 64 123.633 123.633 122.376 1.257 25477 167 1 . 1 1 64 64 LYS HA H 64 4.001 4.001 4.328 -0.327 25477 168 1 . 1 1 64 64 LYS H H 64 8.034 8.034 7.869 0.165 25477 169 1 . 1 1 65 65 CYS N N 65 116.426 116.426 120.392 -3.966 25477 170 1 . 1 1 65 65 CYS HA H 65 -1.385 -1.385 4.418 -5.803 25477 171 1 . 1 1 65 65 CYS H H 65 6.648 6.648 8.739 -2.091 25477 172 1 . 1 1 66 66 GLY N N 66 102.751 102.751 108.760 -6.009 25477 173 1 . 1 1 66 66 GLY H H 66 8.344 8.344 8.728 -0.384 25477 174 1 . 1 1 67 67 GLU N N 67 115.893 115.893 118.943 -3.050 25477 175 1 . 1 1 67 67 GLU HA H 67 4.141 4.141 4.365 -0.224 25477 176 1 . 1 1 67 67 GLU H H 67 6.998 6.998 8.269 -1.271 25477 177 1 . 1 1 68 68 CYS N N 68 113.306 113.306 116.806 -3.500 25477 178 1 . 1 1 68 68 CYS HA H 68 5.542 5.542 4.439 1.103 25477 179 1 . 1 1 68 68 CYS H H 68 6.644 6.644 8.263 -1.619 25477 180 1 . 1 1 69 69 HIS N N 69 121.421 121.421 118.430 2.991 25477 181 1 . 1 1 69 69 HIS HA H 69 10.514 10.514 5.524 4.990 25477 182 1 . 1 1 69 69 HIS H H 69 11.614 11.614 8.717 2.897 25477 183 1 . 1 1 70 70 LYS N N 70 127.268 127.268 122.233 5.035 25477 184 1 . 1 1 70 70 LYS HA H 70 5.834 5.834 4.629 1.205 25477 185 1 . 1 1 70 70 LYS H H 70 10.287 10.287 8.191 2.096 25477 stop_ save_