data_19210 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19210 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 19210 _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 LYS N N 2 120.685 120.685 123.238 -2.553 19210 2 1 1 . 1 1 2 2 LYS H H 2 8.331 8.331 8.431 -0.100 19210 3 1 1 . 1 1 3 3 GLU N N 3 120.726 120.726 121.039 -0.313 19210 4 1 1 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.461 -0.139 19210 5 1 1 . 1 1 3 3 GLU H H 3 8.659 8.659 8.599 0.060 19210 6 1 1 . 1 1 4 4 CYS N N 4 119.143 119.143 118.615 0.528 19210 7 1 1 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.725 0.250 19210 8 1 1 . 1 1 4 4 CYS H H 4 8.116 8.116 7.987 0.129 19210 9 1 1 . 1 1 5 5 ASP N N 5 119.126 119.126 123.983 -4.857 19210 10 1 1 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.712 0.105 19210 11 1 1 . 1 1 5 5 ASP H H 5 8.776 8.776 8.906 -0.130 19210 12 1 1 . 1 1 6 6 CYS N N 6 112.124 112.124 113.132 -1.008 19210 13 1 1 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.917 0.014 19210 14 1 1 . 1 1 6 6 CYS H H 6 6.975 6.975 7.525 -0.550 19210 15 1 1 . 1 1 7 7 SER N N 7 118.845 118.845 115.552 3.293 19210 16 1 1 . 1 1 7 7 SER HA H 7 4.226 4.226 4.511 -0.285 19210 17 1 1 . 1 1 7 7 SER H H 7 9.659 9.659 8.790 0.869 19210 18 1 1 . 1 1 8 8 SER N N 8 115.212 115.212 120.449 -5.237 19210 19 1 1 . 1 1 8 8 SER HA H 8 5.137 5.137 4.705 0.432 19210 20 1 1 . 1 1 8 8 SER H H 8 7.862 7.862 7.993 -0.131 19210 21 1 1 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.471 0.088 19210 22 1 1 . 1 1 10 10 GLU N N 10 116.255 116.255 117.341 -1.086 19210 23 1 1 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.347 -0.053 19210 24 1 1 . 1 1 10 10 GLU H H 10 8.244 8.244 8.240 0.004 19210 25 1 1 . 1 1 11 11 ASN N N 11 120.176 120.176 120.292 -0.116 19210 26 1 1 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.799 -0.005 19210 27 1 1 . 1 1 11 11 ASN H H 11 7.260 7.260 7.390 -0.130 19210 28 1 1 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.479 0.225 19210 29 1 1 . 1 1 13 13 CYS N N 13 117.315 117.315 116.883 0.432 19210 30 1 1 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.372 0.276 19210 31 1 1 . 1 1 13 13 CYS H H 13 8.931 8.931 8.632 0.299 19210 32 1 1 . 1 1 14 14 CYS N N 14 111.828 111.828 116.678 -4.850 19210 33 1 1 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.841 0.215 19210 34 1 1 . 1 1 14 14 CYS H H 14 7.543 7.543 7.823 -0.280 19210 35 1 1 . 1 1 15 15 ASP N N 15 120.797 120.797 125.239 -4.442 19210 36 1 1 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.450 0.120 19210 37 1 1 . 1 1 15 15 ASP H H 15 8.212 8.212 8.844 -0.632 19210 38 1 1 . 1 1 16 16 ALA N N 16 130.631 130.631 128.462 2.169 19210 39 1 1 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.110 0.038 19210 40 1 1 . 1 1 16 16 ALA H H 16 8.996 8.996 8.519 0.477 19210 41 1 1 . 1 1 17 17 ALA N N 17 104.931 104.931 121.528 -16.597 19210 42 1 1 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.074 0.287 19210 43 1 1 . 1 1 17 17 ALA H H 17 8.669 8.669 8.349 0.320 19210 44 1 1 . 1 1 18 18 THR N N 18 104.831 104.831 108.242 -3.411 19210 45 1 1 . 1 1 18 18 THR HA H 18 4.445 4.445 4.332 0.113 19210 46 1 1 . 1 1 18 18 THR H H 18 7.743 7.743 7.841 -0.098 19210 47 1 1 . 1 1 19 19 CYS N N 19 118.516 118.516 116.675 1.841 19210 48 1 1 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.185 0.457 19210 49 1 1 . 1 1 19 19 CYS H H 19 8.601 8.601 7.594 1.007 19210 50 1 1 . 1 1 20 20 LYS N N 20 117.755 117.755 117.583 0.172 19210 51 1 1 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.585 0.360 19210 52 1 1 . 1 1 20 20 LYS H H 20 7.964 7.964 7.388 0.576 19210 53 1 1 . 1 1 21 21 LEU N N 21 119.922 119.922 122.209 -2.287 19210 54 1 1 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.343 -0.058 19210 55 1 1 . 1 1 21 21 LEU H H 21 9.211 9.211 8.751 0.460 19210 56 1 1 . 1 1 22 22 ARG N N 22 121.994 121.994 125.892 -3.898 19210 57 1 1 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.330 0.118 19210 58 1 1 . 1 1 22 22 ARG H H 22 8.490 8.490 8.043 0.447 19210 59 1 1 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.485 -0.096 19210 60 1 1 . 1 1 24 24 GLY N N 24 113.118 113.118 106.444 6.674 19210 61 1 1 . 1 1 24 24 GLY H H 24 8.830 8.830 8.353 0.477 19210 62 1 1 . 1 1 25 25 ALA N N 25 122.763 122.763 121.944 0.819 19210 63 1 1 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.187 0.353 19210 64 1 1 . 1 1 25 25 ALA H H 25 7.942 7.942 7.430 0.512 19210 65 1 1 . 1 1 26 26 GLN N N 26 117.396 117.396 120.694 -3.298 19210 66 1 1 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.929 0.184 19210 67 1 1 . 1 1 26 26 GLN H H 26 8.827 8.827 8.514 0.313 19210 68 1 1 . 1 1 27 27 CYS N N 27 112.799 112.799 116.391 -3.592 19210 69 1 1 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.974 -0.419 19210 70 1 1 . 1 1 27 27 CYS H H 27 7.805 7.805 7.836 -0.031 19210 71 1 1 . 1 1 28 28 GLY N N 28 104.351 104.351 108.745 -4.394 19210 72 1 1 . 1 1 28 28 GLY H H 28 9.163 9.163 8.765 0.398 19210 73 1 1 . 1 1 29 29 GLU N N 29 117.534 117.534 118.904 -1.370 19210 74 1 1 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.531 0.251 19210 75 1 1 . 1 1 29 29 GLU H H 29 7.844 7.844 7.585 0.259 19210 76 1 1 . 1 1 30 30 GLY N N 30 107.933 107.933 108.455 -0.522 19210 77 1 1 . 1 1 30 30 GLY H H 30 8.391 8.391 7.997 0.394 19210 78 1 1 . 1 1 31 31 LEU N N 31 120.439 120.439 121.021 -0.582 19210 79 1 1 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.268 0.086 19210 80 1 1 . 1 1 31 31 LEU H H 31 8.960 8.960 8.378 0.582 19210 81 1 1 . 1 1 32 32 CYS N N 32 114.457 114.457 117.924 -3.467 19210 82 1 1 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.487 0.621 19210 83 1 1 . 1 1 32 32 CYS H H 32 8.467 8.467 7.857 0.610 19210 84 1 1 . 1 1 33 33 CYS N N 33 120.753 120.753 121.619 -0.866 19210 85 1 1 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.343 -0.052 19210 86 1 1 . 1 1 33 33 CYS H H 33 7.365 7.365 7.532 -0.167 19210 87 1 1 . 1 1 34 34 GLU N N 34 128.062 128.062 124.658 3.404 19210 88 1 1 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.530 0.152 19210 89 1 1 . 1 1 34 34 GLU H H 34 9.742 9.742 8.898 0.844 19210 90 1 1 . 1 1 35 35 GLN N N 35 124.793 124.793 123.668 1.125 19210 91 1 1 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.977 0.022 19210 92 1 1 . 1 1 35 35 GLN H H 35 9.453 9.453 9.255 0.198 19210 93 1 1 . 1 1 36 36 CYS N N 36 104.799 104.799 113.270 -8.471 19210 94 1 1 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.260 0.541 19210 95 1 1 . 1 1 36 36 CYS H H 36 8.492 8.492 8.578 -0.086 19210 96 1 1 . 1 1 37 37 LYS N N 37 120.580 120.580 117.583 2.997 19210 97 1 1 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.528 0.175 19210 98 1 1 . 1 1 37 37 LYS H H 37 8.024 8.024 7.739 0.285 19210 99 1 1 . 1 1 38 38 PHE N N 38 119.267 119.267 120.148 -0.881 19210 100 1 1 . 1 1 38 38 PHE HA H 38 5.141 5.141 5.088 0.053 19210 101 1 1 . 1 1 38 38 PHE H H 38 8.276 8.276 8.613 -0.337 19210 102 1 1 . 1 1 39 39 SER N N 39 120.055 120.055 121.552 -1.497 19210 103 1 1 . 1 1 39 39 SER HA H 39 4.274 4.274 4.375 -0.101 19210 104 1 1 . 1 1 39 39 SER H H 39 9.044 9.044 9.249 -0.205 19210 105 1 1 . 1 1 40 40 ARG N N 40 121.118 121.118 119.836 1.282 19210 106 1 1 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.534 -0.433 19210 107 1 1 . 1 1 40 40 ARG H H 40 8.573 8.573 8.341 0.232 19210 108 1 1 . 1 1 41 41 ALA N N 41 123.139 123.139 122.919 0.220 19210 109 1 1 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.298 -0.574 19210 110 1 1 . 1 1 41 41 ALA H H 41 8.501 8.501 8.349 0.152 19210 111 1 1 . 1 1 42 42 GLY N N 42 109.789 109.789 107.722 2.067 19210 112 1 1 . 1 1 42 42 GLY H H 42 8.619 8.619 8.926 -0.307 19210 113 1 1 . 1 1 43 43 LYS N N 43 122.160 122.160 120.975 1.185 19210 114 1 1 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.474 -0.326 19210 115 1 1 . 1 1 43 43 LYS H H 43 7.535 7.535 7.339 0.196 19210 116 1 1 . 1 1 44 44 ILE N N 44 128.214 128.214 130.125 -1.911 19210 117 1 1 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.301 -0.183 19210 118 1 1 . 1 1 44 44 ILE H H 44 8.902 8.902 8.826 0.076 19210 119 1 1 . 1 1 45 45 CYS N N 45 123.076 123.076 124.349 -1.273 19210 120 1 1 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.528 0.663 19210 121 1 1 . 1 1 45 45 CYS H H 45 9.417 9.417 8.715 0.702 19210 122 1 1 . 1 1 46 46 ARG N N 46 122.593 122.593 119.186 3.407 19210 123 1 1 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.590 -0.115 19210 124 1 1 . 1 1 46 46 ARG H H 46 7.611 7.611 7.435 0.176 19210 125 1 1 . 1 1 47 47 ILE N N 47 126.701 126.701 122.255 4.446 19210 126 1 1 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.447 -0.159 19210 127 1 1 . 1 1 47 47 ILE H H 47 8.517 8.517 8.470 0.047 19210 128 1 1 . 1 1 48 48 ALA N N 48 130.503 130.503 131.423 -0.920 19210 129 1 1 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.676 -0.353 19210 130 1 1 . 1 1 48 48 ALA H H 48 9.374 9.374 8.483 0.891 19210 131 1 1 . 1 1 49 49 ARG N N 49 118.315 118.315 120.145 -1.830 19210 132 1 1 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.691 -0.293 19210 133 1 1 . 1 1 49 49 ARG H H 49 8.331 8.331 8.842 -0.511 19210 134 1 1 . 1 1 50 50 GLY N N 50 109.557 109.557 114.407 -4.850 19210 135 1 1 . 1 1 50 50 GLY H H 50 8.426 8.426 8.696 -0.270 19210 136 1 1 . 1 1 51 51 ASP N N 51 120.231 120.231 118.120 2.111 19210 137 1 1 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.495 0.164 19210 138 1 1 . 1 1 51 51 ASP H H 51 8.610 8.610 6.419 2.191 19210 139 1 1 . 1 1 52 52 TRP N N 52 118.920 118.920 121.017 -2.097 19210 140 1 1 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.937 -0.141 19210 141 1 1 . 1 1 52 52 TRP H H 52 7.862 7.862 7.294 0.568 19210 142 1 1 . 1 1 53 53 ASN N N 53 116.604 116.604 121.776 -5.172 19210 143 1 1 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.946 -0.146 19210 144 1 1 . 1 1 53 53 ASN H H 53 8.325 8.325 8.665 -0.340 19210 145 1 1 . 1 1 54 54 ASP N N 54 119.405 119.405 121.846 -2.441 19210 146 1 1 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.629 0.075 19210 147 1 1 . 1 1 54 54 ASP H H 54 8.186 8.186 8.623 -0.437 19210 148 1 1 . 1 1 55 55 ASP N N 55 120.911 120.911 120.643 0.268 19210 149 1 1 . 1 1 55 55 ASP HA H 55 5.051 5.051 5.000 0.051 19210 150 1 1 . 1 1 55 55 ASP H H 55 8.640 8.640 8.491 0.149 19210 151 1 1 . 1 1 56 56 ARG N N 56 119.204 119.204 122.379 -3.175 19210 152 1 1 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.964 0.377 19210 153 1 1 . 1 1 56 56 ARG H H 56 8.234 8.234 8.579 -0.345 19210 154 1 1 . 1 1 57 57 CYS N N 57 119.250 119.250 123.491 -4.241 19210 155 1 1 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.327 0.557 19210 156 1 1 . 1 1 57 57 CYS H H 57 9.344 9.344 8.738 0.606 19210 157 1 1 . 1 1 58 58 THR N N 58 112.882 112.882 115.153 -2.271 19210 158 1 1 . 1 1 58 58 THR HA H 58 4.442 4.442 4.241 0.201 19210 159 1 1 . 1 1 58 58 THR H H 58 10.180 10.180 8.454 1.726 19210 160 1 1 . 1 1 59 59 GLY N N 59 111.190 111.190 110.886 0.304 19210 161 1 1 . 1 1 59 59 GLY H H 59 8.546 8.546 7.729 0.817 19210 162 1 1 . 1 1 60 60 GLN N N 60 114.377 114.377 119.550 -5.173 19210 163 1 1 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.674 -0.376 19210 164 1 1 . 1 1 60 60 GLN H H 60 7.986 7.986 7.946 0.040 19210 165 1 1 . 1 1 61 61 SER N N 61 110.403 110.403 114.212 -3.809 19210 166 1 1 . 1 1 61 61 SER HA H 61 3.880 3.880 4.287 -0.407 19210 167 1 1 . 1 1 61 61 SER H H 61 6.630 6.630 7.162 -0.532 19210 168 1 1 . 1 1 62 62 ALA N N 62 125.118 125.118 123.967 1.151 19210 169 1 1 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.317 0.118 19210 170 1 1 . 1 1 62 62 ALA H H 62 9.027 9.027 8.211 0.816 19210 171 1 1 . 1 1 63 63 ASP N N 63 116.936 116.936 119.448 -2.512 19210 172 1 1 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.749 0.146 19210 173 1 1 . 1 1 63 63 ASP H H 63 8.080 8.080 7.912 0.168 19210 174 1 1 . 1 1 64 64 CYS N N 64 121.286 121.286 125.608 -4.322 19210 175 1 1 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.553 0.850 19210 176 1 1 . 1 1 64 64 CYS H H 64 8.924 8.924 8.628 0.296 19210 177 1 1 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.772 -0.397 19210 178 1 1 . 1 1 66 66 ARG N N 66 118.950 118.950 115.573 3.377 19210 179 1 1 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.440 -0.078 19210 180 1 1 . 1 1 66 66 ARG H H 66 8.203 8.203 8.097 0.106 19210 181 1 1 . 1 1 67 67 TYR N N 67 123.890 123.890 117.994 5.896 19210 182 1 1 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.437 0.022 19210 183 1 1 . 1 1 67 67 TYR H H 67 8.650 8.650 8.482 0.168 19210 184 1 2 . 1 1 2 2 LYS N N 2 120.685 120.685 123.180 -2.495 19210 185 1 2 . 1 1 2 2 LYS H H 2 8.331 8.331 8.255 0.076 19210 186 1 2 . 1 1 3 3 GLU N N 3 120.726 120.726 118.855 1.871 19210 187 1 2 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.443 -0.121 19210 188 1 2 . 1 1 3 3 GLU H H 3 8.659 8.659 8.384 0.275 19210 189 1 2 . 1 1 4 4 CYS N N 4 119.143 119.143 120.229 -1.086 19210 190 1 2 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.675 0.300 19210 191 1 2 . 1 1 4 4 CYS H H 4 8.116 8.116 7.766 0.350 19210 192 1 2 . 1 1 5 5 ASP N N 5 119.126 119.126 125.920 -6.794 19210 193 1 2 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.927 -0.110 19210 194 1 2 . 1 1 5 5 ASP H H 5 8.776 8.776 9.087 -0.311 19210 195 1 2 . 1 1 6 6 CYS N N 6 112.124 112.124 115.768 -3.644 19210 196 1 2 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.919 0.012 19210 197 1 2 . 1 1 6 6 CYS H H 6 6.975 6.975 7.354 -0.379 19210 198 1 2 . 1 1 7 7 SER N N 7 118.845 118.845 116.997 1.848 19210 199 1 2 . 1 1 7 7 SER HA H 7 4.226 4.226 4.377 -0.151 19210 200 1 2 . 1 1 7 7 SER H H 7 9.659 9.659 8.550 1.109 19210 201 1 2 . 1 1 8 8 SER N N 8 115.212 115.212 118.419 -3.207 19210 202 1 2 . 1 1 8 8 SER HA H 8 5.137 5.137 4.881 0.256 19210 203 1 2 . 1 1 8 8 SER H H 8 7.862 7.862 7.752 0.110 19210 204 1 2 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.548 0.011 19210 205 1 2 . 1 1 10 10 GLU N N 10 116.255 116.255 116.946 -0.691 19210 206 1 2 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.216 0.078 19210 207 1 2 . 1 1 10 10 GLU H H 10 8.244 8.244 8.287 -0.043 19210 208 1 2 . 1 1 11 11 ASN N N 11 120.176 120.176 119.361 0.815 19210 209 1 2 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.756 0.038 19210 210 1 2 . 1 1 11 11 ASN H H 11 7.260 7.260 7.456 -0.196 19210 211 1 2 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.639 0.065 19210 212 1 2 . 1 1 13 13 CYS N N 13 117.315 117.315 118.256 -0.941 19210 213 1 2 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.779 -0.131 19210 214 1 2 . 1 1 13 13 CYS H H 13 8.931 8.931 8.349 0.582 19210 215 1 2 . 1 1 14 14 CYS N N 14 111.828 111.828 118.382 -6.554 19210 216 1 2 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.845 0.211 19210 217 1 2 . 1 1 14 14 CYS H H 14 7.543 7.543 7.457 0.086 19210 218 1 2 . 1 1 15 15 ASP N N 15 120.797 120.797 125.752 -4.955 19210 219 1 2 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.499 0.071 19210 220 1 2 . 1 1 15 15 ASP H H 15 8.212 8.212 8.664 -0.452 19210 221 1 2 . 1 1 16 16 ALA N N 16 130.631 130.631 129.322 1.309 19210 222 1 2 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.038 0.110 19210 223 1 2 . 1 1 16 16 ALA H H 16 8.996 8.996 8.545 0.451 19210 224 1 2 . 1 1 17 17 ALA N N 17 104.931 104.931 120.451 -15.520 19210 225 1 2 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.066 0.295 19210 226 1 2 . 1 1 17 17 ALA H H 17 8.669 8.669 8.121 0.548 19210 227 1 2 . 1 1 18 18 THR N N 18 104.831 104.831 109.785 -4.954 19210 228 1 2 . 1 1 18 18 THR HA H 18 4.445 4.445 4.270 0.175 19210 229 1 2 . 1 1 18 18 THR H H 18 7.743 7.743 7.694 0.049 19210 230 1 2 . 1 1 19 19 CYS N N 19 118.516 118.516 119.398 -0.882 19210 231 1 2 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.085 0.557 19210 232 1 2 . 1 1 19 19 CYS H H 19 8.601 8.601 8.457 0.144 19210 233 1 2 . 1 1 20 20 LYS N N 20 117.755 117.755 117.432 0.323 19210 234 1 2 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.707 0.238 19210 235 1 2 . 1 1 20 20 LYS H H 20 7.964 7.964 7.449 0.515 19210 236 1 2 . 1 1 21 21 LEU N N 21 119.922 119.922 120.526 -0.604 19210 237 1 2 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.328 -0.043 19210 238 1 2 . 1 1 21 21 LEU H H 21 9.211 9.211 8.598 0.613 19210 239 1 2 . 1 1 22 22 ARG N N 22 121.994 121.994 126.067 -4.073 19210 240 1 2 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.404 0.044 19210 241 1 2 . 1 1 22 22 ARG H H 22 8.490 8.490 7.988 0.502 19210 242 1 2 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.479 -0.090 19210 243 1 2 . 1 1 24 24 GLY N N 24 113.118 113.118 107.040 6.078 19210 244 1 2 . 1 1 24 24 GLY H H 24 8.830 8.830 8.418 0.412 19210 245 1 2 . 1 1 25 25 ALA N N 25 122.763 122.763 122.351 0.412 19210 246 1 2 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.403 0.137 19210 247 1 2 . 1 1 25 25 ALA H H 25 7.942 7.942 7.779 0.163 19210 248 1 2 . 1 1 26 26 GLN N N 26 117.396 117.396 120.417 -3.021 19210 249 1 2 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.038 0.075 19210 250 1 2 . 1 1 26 26 GLN H H 26 8.827 8.827 8.416 0.411 19210 251 1 2 . 1 1 27 27 CYS N N 27 112.799 112.799 115.942 -3.143 19210 252 1 2 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.885 -0.330 19210 253 1 2 . 1 1 27 27 CYS H H 27 7.805 7.805 7.350 0.455 19210 254 1 2 . 1 1 28 28 GLY N N 28 104.351 104.351 110.659 -6.308 19210 255 1 2 . 1 1 28 28 GLY H H 28 9.163 9.163 8.983 0.180 19210 256 1 2 . 1 1 29 29 GLU N N 29 117.534 117.534 117.772 -0.238 19210 257 1 2 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.543 0.239 19210 258 1 2 . 1 1 29 29 GLU H H 29 7.844 7.844 7.586 0.258 19210 259 1 2 . 1 1 30 30 GLY N N 30 107.933 107.933 107.402 0.531 19210 260 1 2 . 1 1 30 30 GLY H H 30 8.391 8.391 7.862 0.529 19210 261 1 2 . 1 1 31 31 LEU N N 31 120.439 120.439 120.953 -0.514 19210 262 1 2 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.457 -0.103 19210 263 1 2 . 1 1 31 31 LEU H H 31 8.960 8.960 8.571 0.389 19210 264 1 2 . 1 1 32 32 CYS N N 32 114.457 114.457 120.199 -5.742 19210 265 1 2 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.624 0.484 19210 266 1 2 . 1 1 32 32 CYS H H 32 8.467 8.467 7.612 0.855 19210 267 1 2 . 1 1 33 33 CYS N N 33 120.753 120.753 120.668 0.085 19210 268 1 2 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.597 -0.306 19210 269 1 2 . 1 1 33 33 CYS H H 33 7.365 7.365 8.289 -0.924 19210 270 1 2 . 1 1 34 34 GLU N N 34 128.062 128.062 126.644 1.418 19210 271 1 2 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.555 0.127 19210 272 1 2 . 1 1 34 34 GLU H H 34 9.742 9.742 8.392 1.350 19210 273 1 2 . 1 1 35 35 GLN N N 35 124.793 124.793 120.886 3.907 19210 274 1 2 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.972 0.027 19210 275 1 2 . 1 1 35 35 GLN H H 35 9.453 9.453 9.086 0.367 19210 276 1 2 . 1 1 36 36 CYS N N 36 104.799 104.799 112.107 -7.308 19210 277 1 2 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.174 0.627 19210 278 1 2 . 1 1 36 36 CYS H H 36 8.492 8.492 8.494 -0.002 19210 279 1 2 . 1 1 37 37 LYS N N 37 120.580 120.580 117.067 3.513 19210 280 1 2 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.434 0.269 19210 281 1 2 . 1 1 37 37 LYS H H 37 8.024 8.024 7.069 0.955 19210 282 1 2 . 1 1 38 38 PHE N N 38 119.267 119.267 120.404 -1.137 19210 283 1 2 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.792 0.349 19210 284 1 2 . 1 1 38 38 PHE H H 38 8.276 8.276 8.524 -0.248 19210 285 1 2 . 1 1 39 39 SER N N 39 120.055 120.055 120.364 -0.309 19210 286 1 2 . 1 1 39 39 SER HA H 39 4.274 4.274 4.435 -0.161 19210 287 1 2 . 1 1 39 39 SER H H 39 9.044 9.044 8.665 0.379 19210 288 1 2 . 1 1 40 40 ARG N N 40 121.118 121.118 120.236 0.882 19210 289 1 2 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.380 -0.279 19210 290 1 2 . 1 1 40 40 ARG H H 40 8.573 8.573 8.456 0.117 19210 291 1 2 . 1 1 41 41 ALA N N 41 123.139 123.139 121.589 1.550 19210 292 1 2 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.447 -0.723 19210 293 1 2 . 1 1 41 41 ALA H H 41 8.501 8.501 8.051 0.450 19210 294 1 2 . 1 1 42 42 GLY N N 42 109.789 109.789 108.336 1.453 19210 295 1 2 . 1 1 42 42 GLY H H 42 8.619 8.619 8.903 -0.284 19210 296 1 2 . 1 1 43 43 LYS N N 43 122.160 122.160 120.324 1.836 19210 297 1 2 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.558 -0.409 19210 298 1 2 . 1 1 43 43 LYS H H 43 7.535 7.535 7.393 0.142 19210 299 1 2 . 1 1 44 44 ILE N N 44 128.214 128.214 127.787 0.427 19210 300 1 2 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.291 -0.173 19210 301 1 2 . 1 1 44 44 ILE H H 44 8.902 8.902 8.691 0.211 19210 302 1 2 . 1 1 45 45 CYS N N 45 123.076 123.076 128.227 -5.151 19210 303 1 2 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.311 0.880 19210 304 1 2 . 1 1 45 45 CYS H H 45 9.417 9.417 9.285 0.132 19210 305 1 2 . 1 1 46 46 ARG N N 46 122.593 122.593 117.728 4.865 19210 306 1 2 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.488 -0.013 19210 307 1 2 . 1 1 46 46 ARG H H 46 7.611 7.611 7.600 0.011 19210 308 1 2 . 1 1 47 47 ILE N N 47 126.701 126.701 124.840 1.861 19210 309 1 2 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.135 0.153 19210 310 1 2 . 1 1 47 47 ILE H H 47 8.517 8.517 8.461 0.056 19210 311 1 2 . 1 1 48 48 ALA N N 48 130.503 130.503 131.540 -1.037 19210 312 1 2 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.530 -0.207 19210 313 1 2 . 1 1 48 48 ALA H H 48 9.374 9.374 8.254 1.120 19210 314 1 2 . 1 1 49 49 ARG N N 49 118.315 118.315 121.240 -2.925 19210 315 1 2 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.234 0.164 19210 316 1 2 . 1 1 49 49 ARG H H 49 8.331 8.331 9.096 -0.765 19210 317 1 2 . 1 1 50 50 GLY N N 50 109.557 109.557 104.024 5.533 19210 318 1 2 . 1 1 50 50 GLY H H 50 8.426 8.426 6.662 1.764 19210 319 1 2 . 1 1 51 51 ASP N N 51 120.231 120.231 117.899 2.332 19210 320 1 2 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.210 0.449 19210 321 1 2 . 1 1 51 51 ASP H H 51 8.610 8.610 8.339 0.271 19210 322 1 2 . 1 1 52 52 TRP N N 52 118.920 118.920 117.672 1.248 19210 323 1 2 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.622 0.174 19210 324 1 2 . 1 1 52 52 TRP H H 52 7.862 7.862 6.331 1.531 19210 325 1 2 . 1 1 53 53 ASN N N 53 116.604 116.604 118.585 -1.981 19210 326 1 2 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.853 -0.053 19210 327 1 2 . 1 1 53 53 ASN H H 53 8.325 8.325 8.508 -0.183 19210 328 1 2 . 1 1 54 54 ASP N N 54 119.405 119.405 119.415 -0.010 19210 329 1 2 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.828 -0.124 19210 330 1 2 . 1 1 54 54 ASP H H 54 8.186 8.186 8.374 -0.188 19210 331 1 2 . 1 1 55 55 ASP N N 55 120.911 120.911 122.756 -1.845 19210 332 1 2 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.761 0.290 19210 333 1 2 . 1 1 55 55 ASP H H 55 8.640 8.640 8.442 0.198 19210 334 1 2 . 1 1 56 56 ARG N N 56 119.204 119.204 123.962 -4.758 19210 335 1 2 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.661 0.680 19210 336 1 2 . 1 1 56 56 ARG H H 56 8.234 8.234 8.073 0.161 19210 337 1 2 . 1 1 57 57 CYS N N 57 119.250 119.250 124.896 -5.646 19210 338 1 2 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.468 0.416 19210 339 1 2 . 1 1 57 57 CYS H H 57 9.344 9.344 9.000 0.344 19210 340 1 2 . 1 1 58 58 THR N N 58 112.882 112.882 112.635 0.247 19210 341 1 2 . 1 1 58 58 THR HA H 58 4.442 4.442 4.202 0.240 19210 342 1 2 . 1 1 58 58 THR H H 58 10.180 10.180 8.719 1.461 19210 343 1 2 . 1 1 59 59 GLY N N 59 111.190 111.190 109.338 1.852 19210 344 1 2 . 1 1 59 59 GLY H H 59 8.546 8.546 8.282 0.264 19210 345 1 2 . 1 1 60 60 GLN N N 60 114.377 114.377 118.167 -3.790 19210 346 1 2 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.065 0.233 19210 347 1 2 . 1 1 60 60 GLN H H 60 7.986 7.986 7.544 0.442 19210 348 1 2 . 1 1 61 61 SER N N 61 110.403 110.403 117.717 -7.314 19210 349 1 2 . 1 1 61 61 SER HA H 61 3.880 3.880 4.291 -0.411 19210 350 1 2 . 1 1 61 61 SER H H 61 6.630 6.630 7.331 -0.701 19210 351 1 2 . 1 1 62 62 ALA N N 62 125.118 125.118 125.314 -0.196 19210 352 1 2 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.476 -0.041 19210 353 1 2 . 1 1 62 62 ALA H H 62 9.027 9.027 8.359 0.668 19210 354 1 2 . 1 1 63 63 ASP N N 63 116.936 116.936 119.644 -2.708 19210 355 1 2 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.663 0.232 19210 356 1 2 . 1 1 63 63 ASP H H 63 8.080 8.080 8.099 -0.019 19210 357 1 2 . 1 1 64 64 CYS N N 64 121.286 121.286 120.186 1.100 19210 358 1 2 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.266 1.137 19210 359 1 2 . 1 1 64 64 CYS H H 64 8.924 8.924 8.094 0.830 19210 360 1 2 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.464 -0.089 19210 361 1 2 . 1 1 66 66 ARG N N 66 118.950 118.950 118.062 0.888 19210 362 1 2 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.181 0.181 19210 363 1 2 . 1 1 66 66 ARG H H 66 8.203 8.203 8.265 -0.062 19210 364 1 2 . 1 1 67 67 TYR N N 67 123.890 123.890 118.678 5.212 19210 365 1 2 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.893 -0.434 19210 366 1 2 . 1 1 67 67 TYR H H 67 8.650 8.650 8.466 0.184 19210 367 1 3 . 1 1 2 2 LYS N N 2 120.685 120.685 122.276 -1.591 19210 368 1 3 . 1 1 2 2 LYS H H 2 8.331 8.331 8.164 0.167 19210 369 1 3 . 1 1 3 3 GLU N N 3 120.726 120.726 119.273 1.453 19210 370 1 3 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.321 0.001 19210 371 1 3 . 1 1 3 3 GLU H H 3 8.659 8.659 8.580 0.079 19210 372 1 3 . 1 1 4 4 CYS N N 4 119.143 119.143 119.206 -0.063 19210 373 1 3 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.663 0.312 19210 374 1 3 . 1 1 4 4 CYS H H 4 8.116 8.116 7.618 0.498 19210 375 1 3 . 1 1 5 5 ASP N N 5 119.126 119.126 127.297 -8.171 19210 376 1 3 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.942 -0.125 19210 377 1 3 . 1 1 5 5 ASP H H 5 8.776 8.776 8.999 -0.223 19210 378 1 3 . 1 1 6 6 CYS N N 6 112.124 112.124 115.418 -3.294 19210 379 1 3 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.845 0.086 19210 380 1 3 . 1 1 6 6 CYS H H 6 6.975 6.975 7.326 -0.351 19210 381 1 3 . 1 1 7 7 SER N N 7 118.845 118.845 117.543 1.302 19210 382 1 3 . 1 1 7 7 SER HA H 7 4.226 4.226 4.311 -0.085 19210 383 1 3 . 1 1 7 7 SER H H 7 9.659 9.659 8.723 0.936 19210 384 1 3 . 1 1 8 8 SER N N 8 115.212 115.212 118.561 -3.349 19210 385 1 3 . 1 1 8 8 SER HA H 8 5.137 5.137 4.702 0.435 19210 386 1 3 . 1 1 8 8 SER H H 8 7.862 7.862 7.802 0.060 19210 387 1 3 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.471 0.088 19210 388 1 3 . 1 1 10 10 GLU N N 10 116.255 116.255 117.181 -0.926 19210 389 1 3 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.356 -0.062 19210 390 1 3 . 1 1 10 10 GLU H H 10 8.244 8.244 8.021 0.223 19210 391 1 3 . 1 1 11 11 ASN N N 11 120.176 120.176 119.867 0.309 19210 392 1 3 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.927 -0.133 19210 393 1 3 . 1 1 11 11 ASN H H 11 7.260 7.260 7.565 -0.305 19210 394 1 3 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.458 0.246 19210 395 1 3 . 1 1 13 13 CYS N N 13 117.315 117.315 117.706 -0.391 19210 396 1 3 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.453 0.195 19210 397 1 3 . 1 1 13 13 CYS H H 13 8.931 8.931 8.058 0.873 19210 398 1 3 . 1 1 14 14 CYS N N 14 111.828 111.828 116.270 -4.442 19210 399 1 3 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.804 0.252 19210 400 1 3 . 1 1 14 14 CYS H H 14 7.543 7.543 7.449 0.094 19210 401 1 3 . 1 1 15 15 ASP N N 15 120.797 120.797 123.183 -2.386 19210 402 1 3 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.596 -0.026 19210 403 1 3 . 1 1 15 15 ASP H H 15 8.212 8.212 8.423 -0.211 19210 404 1 3 . 1 1 16 16 ALA N N 16 130.631 130.631 130.869 -0.238 19210 405 1 3 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.073 0.075 19210 406 1 3 . 1 1 16 16 ALA H H 16 8.996 8.996 8.653 0.343 19210 407 1 3 . 1 1 17 17 ALA N N 17 104.931 104.931 121.946 -17.015 19210 408 1 3 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.050 0.311 19210 409 1 3 . 1 1 17 17 ALA H H 17 8.669 8.669 8.343 0.326 19210 410 1 3 . 1 1 18 18 THR N N 18 104.831 104.831 105.896 -1.065 19210 411 1 3 . 1 1 18 18 THR HA H 18 4.445 4.445 4.419 0.026 19210 412 1 3 . 1 1 18 18 THR H H 18 7.743 7.743 7.380 0.363 19210 413 1 3 . 1 1 19 19 CYS N N 19 118.516 118.516 120.286 -1.770 19210 414 1 3 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.128 0.514 19210 415 1 3 . 1 1 19 19 CYS H H 19 8.601 8.601 8.673 -0.072 19210 416 1 3 . 1 1 20 20 LYS N N 20 117.755 117.755 117.761 -0.006 19210 417 1 3 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.668 0.277 19210 418 1 3 . 1 1 20 20 LYS H H 20 7.964 7.964 7.354 0.610 19210 419 1 3 . 1 1 21 21 LEU N N 21 119.922 119.922 119.290 0.632 19210 420 1 3 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.373 -0.088 19210 421 1 3 . 1 1 21 21 LEU H H 21 9.211 9.211 8.521 0.690 19210 422 1 3 . 1 1 22 22 ARG N N 22 121.994 121.994 119.789 2.205 19210 423 1 3 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.523 -0.075 19210 424 1 3 . 1 1 22 22 ARG H H 22 8.490 8.490 8.096 0.394 19210 425 1 3 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.547 -0.158 19210 426 1 3 . 1 1 24 24 GLY N N 24 113.118 113.118 106.298 6.820 19210 427 1 3 . 1 1 24 24 GLY H H 24 8.830 8.830 8.271 0.559 19210 428 1 3 . 1 1 25 25 ALA N N 25 122.763 122.763 121.563 1.200 19210 429 1 3 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.314 0.226 19210 430 1 3 . 1 1 25 25 ALA H H 25 7.942 7.942 7.380 0.562 19210 431 1 3 . 1 1 26 26 GLN N N 26 117.396 117.396 121.457 -4.061 19210 432 1 3 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.229 -0.116 19210 433 1 3 . 1 1 26 26 GLN H H 26 8.827 8.827 8.508 0.319 19210 434 1 3 . 1 1 27 27 CYS N N 27 112.799 112.799 113.644 -0.845 19210 435 1 3 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.828 -0.273 19210 436 1 3 . 1 1 27 27 CYS H H 27 7.805 7.805 7.071 0.734 19210 437 1 3 . 1 1 28 28 GLY N N 28 104.351 104.351 108.563 -4.212 19210 438 1 3 . 1 1 28 28 GLY H H 28 9.163 9.163 8.890 0.273 19210 439 1 3 . 1 1 29 29 GLU N N 29 117.534 117.534 117.889 -0.355 19210 440 1 3 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.489 0.293 19210 441 1 3 . 1 1 29 29 GLU H H 29 7.844 7.844 7.671 0.173 19210 442 1 3 . 1 1 30 30 GLY N N 30 107.933 107.933 108.073 -0.140 19210 443 1 3 . 1 1 30 30 GLY H H 30 8.391 8.391 8.039 0.352 19210 444 1 3 . 1 1 31 31 LEU N N 31 120.439 120.439 120.681 -0.242 19210 445 1 3 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.265 0.089 19210 446 1 3 . 1 1 31 31 LEU H H 31 8.960 8.960 8.175 0.785 19210 447 1 3 . 1 1 32 32 CYS N N 32 114.457 114.457 115.536 -1.079 19210 448 1 3 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.536 0.572 19210 449 1 3 . 1 1 32 32 CYS H H 32 8.467 8.467 8.084 0.383 19210 450 1 3 . 1 1 33 33 CYS N N 33 120.753 120.753 121.734 -0.981 19210 451 1 3 . 1 1 33 33 CYS HA H 33 5.291 5.291 4.939 0.352 19210 452 1 3 . 1 1 33 33 CYS H H 33 7.365 7.365 7.991 -0.626 19210 453 1 3 . 1 1 34 34 GLU N N 34 128.062 128.062 128.545 -0.483 19210 454 1 3 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.561 0.121 19210 455 1 3 . 1 1 34 34 GLU H H 34 9.742 9.742 8.064 1.678 19210 456 1 3 . 1 1 35 35 GLN N N 35 124.793 124.793 122.174 2.619 19210 457 1 3 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.967 0.032 19210 458 1 3 . 1 1 35 35 GLN H H 35 9.453 9.453 8.892 0.561 19210 459 1 3 . 1 1 36 36 CYS N N 36 104.799 104.799 115.216 -10.417 19210 460 1 3 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.261 0.540 19210 461 1 3 . 1 1 36 36 CYS H H 36 8.492 8.492 8.480 0.012 19210 462 1 3 . 1 1 37 37 LYS N N 37 120.580 120.580 117.213 3.367 19210 463 1 3 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.417 0.286 19210 464 1 3 . 1 1 37 37 LYS H H 37 8.024 8.024 7.247 0.777 19210 465 1 3 . 1 1 38 38 PHE N N 38 119.267 119.267 119.905 -0.638 19210 466 1 3 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.524 0.617 19210 467 1 3 . 1 1 38 38 PHE H H 38 8.276 8.276 8.556 -0.280 19210 468 1 3 . 1 1 39 39 SER N N 39 120.055 120.055 121.055 -1.000 19210 469 1 3 . 1 1 39 39 SER HA H 39 4.274 4.274 4.390 -0.116 19210 470 1 3 . 1 1 39 39 SER H H 39 9.044 9.044 8.375 0.669 19210 471 1 3 . 1 1 40 40 ARG N N 40 121.118 121.118 120.764 0.354 19210 472 1 3 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.219 -0.118 19210 473 1 3 . 1 1 40 40 ARG H H 40 8.573 8.573 8.431 0.142 19210 474 1 3 . 1 1 41 41 ALA N N 41 123.139 123.139 121.868 1.271 19210 475 1 3 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.564 -0.840 19210 476 1 3 . 1 1 41 41 ALA H H 41 8.501 8.501 8.019 0.482 19210 477 1 3 . 1 1 42 42 GLY N N 42 109.789 109.789 107.917 1.872 19210 478 1 3 . 1 1 42 42 GLY H H 42 8.619 8.619 8.502 0.117 19210 479 1 3 . 1 1 43 43 LYS N N 43 122.160 122.160 120.726 1.434 19210 480 1 3 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.499 -0.350 19210 481 1 3 . 1 1 43 43 LYS H H 43 7.535 7.535 7.342 0.193 19210 482 1 3 . 1 1 44 44 ILE N N 44 128.214 128.214 128.876 -0.662 19210 483 1 3 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.167 -0.049 19210 484 1 3 . 1 1 44 44 ILE H H 44 8.902 8.902 8.822 0.080 19210 485 1 3 . 1 1 45 45 CYS N N 45 123.076 123.076 123.723 -0.647 19210 486 1 3 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.529 0.662 19210 487 1 3 . 1 1 45 45 CYS H H 45 9.417 9.417 8.736 0.681 19210 488 1 3 . 1 1 46 46 ARG N N 46 122.593 122.593 121.033 1.560 19210 489 1 3 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.548 -0.073 19210 490 1 3 . 1 1 46 46 ARG H H 46 7.611 7.611 7.509 0.102 19210 491 1 3 . 1 1 47 47 ILE N N 47 126.701 126.701 124.568 2.133 19210 492 1 3 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.007 0.281 19210 493 1 3 . 1 1 47 47 ILE H H 47 8.517 8.517 8.490 0.027 19210 494 1 3 . 1 1 48 48 ALA N N 48 130.503 130.503 131.115 -0.612 19210 495 1 3 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.562 -0.239 19210 496 1 3 . 1 1 48 48 ALA H H 48 9.374 9.374 8.508 0.866 19210 497 1 3 . 1 1 49 49 ARG N N 49 118.315 118.315 124.263 -5.948 19210 498 1 3 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.644 -0.246 19210 499 1 3 . 1 1 49 49 ARG H H 49 8.331 8.331 8.784 -0.453 19210 500 1 3 . 1 1 50 50 GLY N N 50 109.557 109.557 113.915 -4.358 19210 501 1 3 . 1 1 50 50 GLY H H 50 8.426 8.426 8.532 -0.106 19210 502 1 3 . 1 1 51 51 ASP N N 51 120.231 120.231 119.395 0.836 19210 503 1 3 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.542 0.117 19210 504 1 3 . 1 1 51 51 ASP H H 51 8.610 8.610 6.749 1.861 19210 505 1 3 . 1 1 52 52 TRP N N 52 118.920 118.920 119.159 -0.239 19210 506 1 3 . 1 1 52 52 TRP HA H 52 4.796 4.796 5.013 -0.217 19210 507 1 3 . 1 1 52 52 TRP H H 52 7.862 7.862 7.085 0.777 19210 508 1 3 . 1 1 53 53 ASN N N 53 116.604 116.604 121.309 -4.705 19210 509 1 3 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.944 -0.144 19210 510 1 3 . 1 1 53 53 ASN H H 53 8.325 8.325 8.653 -0.328 19210 511 1 3 . 1 1 54 54 ASP N N 54 119.405 119.405 121.149 -1.744 19210 512 1 3 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.631 0.073 19210 513 1 3 . 1 1 54 54 ASP H H 54 8.186 8.186 8.522 -0.336 19210 514 1 3 . 1 1 55 55 ASP N N 55 120.911 120.911 120.619 0.292 19210 515 1 3 . 1 1 55 55 ASP HA H 55 5.051 5.051 5.090 -0.039 19210 516 1 3 . 1 1 55 55 ASP H H 55 8.640 8.640 8.227 0.413 19210 517 1 3 . 1 1 56 56 ARG N N 56 119.204 119.204 123.896 -4.692 19210 518 1 3 . 1 1 56 56 ARG HA H 56 5.341 5.341 5.029 0.312 19210 519 1 3 . 1 1 56 56 ARG H H 56 8.234 8.234 8.557 -0.323 19210 520 1 3 . 1 1 57 57 CYS N N 57 119.250 119.250 123.355 -4.105 19210 521 1 3 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.462 0.422 19210 522 1 3 . 1 1 57 57 CYS H H 57 9.344 9.344 8.998 0.346 19210 523 1 3 . 1 1 58 58 THR N N 58 112.882 112.882 112.178 0.704 19210 524 1 3 . 1 1 58 58 THR HA H 58 4.442 4.442 4.216 0.226 19210 525 1 3 . 1 1 58 58 THR H H 58 10.180 10.180 8.918 1.262 19210 526 1 3 . 1 1 59 59 GLY N N 59 111.190 111.190 110.900 0.290 19210 527 1 3 . 1 1 59 59 GLY H H 59 8.546 8.546 8.281 0.265 19210 528 1 3 . 1 1 60 60 GLN N N 60 114.377 114.377 119.402 -5.025 19210 529 1 3 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.756 0.542 19210 530 1 3 . 1 1 60 60 GLN H H 60 7.986 7.986 7.532 0.454 19210 531 1 3 . 1 1 61 61 SER N N 61 110.403 110.403 114.377 -3.974 19210 532 1 3 . 1 1 61 61 SER HA H 61 3.880 3.880 4.619 -0.739 19210 533 1 3 . 1 1 61 61 SER H H 61 6.630 6.630 7.813 -1.183 19210 534 1 3 . 1 1 62 62 ALA N N 62 125.118 125.118 129.092 -3.974 19210 535 1 3 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.386 0.049 19210 536 1 3 . 1 1 62 62 ALA H H 62 9.027 9.027 9.009 0.018 19210 537 1 3 . 1 1 63 63 ASP N N 63 116.936 116.936 117.366 -0.430 19210 538 1 3 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.763 0.132 19210 539 1 3 . 1 1 63 63 ASP H H 63 8.080 8.080 7.961 0.119 19210 540 1 3 . 1 1 64 64 CYS N N 64 121.286 121.286 120.175 1.111 19210 541 1 3 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.937 0.466 19210 542 1 3 . 1 1 64 64 CYS H H 64 8.924 8.924 8.335 0.589 19210 543 1 3 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.856 -0.481 19210 544 1 3 . 1 1 66 66 ARG N N 66 118.950 118.950 117.842 1.108 19210 545 1 3 . 1 1 66 66 ARG HA H 66 4.362 4.362 3.944 0.418 19210 546 1 3 . 1 1 66 66 ARG H H 66 8.203 8.203 7.963 0.240 19210 547 1 3 . 1 1 67 67 TYR N N 67 123.890 123.890 119.452 4.438 19210 548 1 3 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.905 -0.446 19210 549 1 3 . 1 1 67 67 TYR H H 67 8.650 8.650 8.404 0.246 19210 550 1 4 . 1 1 2 2 LYS N N 2 120.685 120.685 123.579 -2.894 19210 551 1 4 . 1 1 2 2 LYS H H 2 8.331 8.331 8.431 -0.100 19210 552 1 4 . 1 1 3 3 GLU N N 3 120.726 120.726 119.879 0.847 19210 553 1 4 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.439 -0.117 19210 554 1 4 . 1 1 3 3 GLU H H 3 8.659 8.659 8.611 0.048 19210 555 1 4 . 1 1 4 4 CYS N N 4 119.143 119.143 120.594 -1.451 19210 556 1 4 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.872 0.103 19210 557 1 4 . 1 1 4 4 CYS H H 4 8.116 8.116 7.938 0.178 19210 558 1 4 . 1 1 5 5 ASP N N 5 119.126 119.126 122.776 -3.650 19210 559 1 4 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.613 0.204 19210 560 1 4 . 1 1 5 5 ASP H H 5 8.776 8.776 8.269 0.507 19210 561 1 4 . 1 1 6 6 CYS N N 6 112.124 112.124 113.711 -1.587 19210 562 1 4 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.769 0.162 19210 563 1 4 . 1 1 6 6 CYS H H 6 6.975 6.975 7.438 -0.463 19210 564 1 4 . 1 1 7 7 SER N N 7 118.845 118.845 115.255 3.590 19210 565 1 4 . 1 1 7 7 SER HA H 7 4.226 4.226 4.644 -0.418 19210 566 1 4 . 1 1 7 7 SER H H 7 9.659 9.659 8.557 1.102 19210 567 1 4 . 1 1 8 8 SER N N 8 115.212 115.212 118.783 -3.571 19210 568 1 4 . 1 1 8 8 SER HA H 8 5.137 5.137 4.878 0.259 19210 569 1 4 . 1 1 8 8 SER H H 8 7.862 7.862 7.790 0.072 19210 570 1 4 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.572 -0.013 19210 571 1 4 . 1 1 10 10 GLU N N 10 116.255 116.255 117.903 -1.648 19210 572 1 4 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.323 -0.029 19210 573 1 4 . 1 1 10 10 GLU H H 10 8.244 8.244 8.362 -0.118 19210 574 1 4 . 1 1 11 11 ASN N N 11 120.176 120.176 119.901 0.275 19210 575 1 4 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.887 -0.093 19210 576 1 4 . 1 1 11 11 ASN H H 11 7.260 7.260 7.507 -0.247 19210 577 1 4 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.485 0.219 19210 578 1 4 . 1 1 13 13 CYS N N 13 117.315 117.315 117.309 0.006 19210 579 1 4 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.519 0.129 19210 580 1 4 . 1 1 13 13 CYS H H 13 8.931 8.931 8.668 0.263 19210 581 1 4 . 1 1 14 14 CYS N N 14 111.828 111.828 118.079 -6.251 19210 582 1 4 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.839 0.217 19210 583 1 4 . 1 1 14 14 CYS H H 14 7.543 7.543 7.543 -0.000 19210 584 1 4 . 1 1 15 15 ASP N N 15 120.797 120.797 125.948 -5.151 19210 585 1 4 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.537 0.033 19210 586 1 4 . 1 1 15 15 ASP H H 15 8.212 8.212 8.787 -0.575 19210 587 1 4 . 1 1 16 16 ALA N N 16 130.631 130.631 129.991 0.640 19210 588 1 4 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.063 0.085 19210 589 1 4 . 1 1 16 16 ALA H H 16 8.996 8.996 8.579 0.417 19210 590 1 4 . 1 1 17 17 ALA N N 17 104.931 104.931 122.694 -17.763 19210 591 1 4 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.061 0.300 19210 592 1 4 . 1 1 17 17 ALA H H 17 8.669 8.669 8.292 0.377 19210 593 1 4 . 1 1 18 18 THR N N 18 104.831 104.831 110.587 -5.756 19210 594 1 4 . 1 1 18 18 THR HA H 18 4.445 4.445 4.206 0.239 19210 595 1 4 . 1 1 18 18 THR H H 18 7.743 7.743 8.054 -0.311 19210 596 1 4 . 1 1 19 19 CYS N N 19 118.516 118.516 120.890 -2.374 19210 597 1 4 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.118 0.524 19210 598 1 4 . 1 1 19 19 CYS H H 19 8.601 8.601 8.170 0.431 19210 599 1 4 . 1 1 20 20 LYS N N 20 117.755 117.755 117.432 0.323 19210 600 1 4 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.710 0.235 19210 601 1 4 . 1 1 20 20 LYS H H 20 7.964 7.964 7.795 0.169 19210 602 1 4 . 1 1 21 21 LEU N N 21 119.922 119.922 120.524 -0.602 19210 603 1 4 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.447 -0.162 19210 604 1 4 . 1 1 21 21 LEU H H 21 9.211 9.211 8.475 0.736 19210 605 1 4 . 1 1 22 22 ARG N N 22 121.994 121.994 125.710 -3.716 19210 606 1 4 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.434 0.014 19210 607 1 4 . 1 1 22 22 ARG H H 22 8.490 8.490 8.210 0.280 19210 608 1 4 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.583 -0.194 19210 609 1 4 . 1 1 24 24 GLY N N 24 113.118 113.118 105.833 7.285 19210 610 1 4 . 1 1 24 24 GLY H H 24 8.830 8.830 8.283 0.547 19210 611 1 4 . 1 1 25 25 ALA N N 25 122.763 122.763 121.275 1.488 19210 612 1 4 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.094 0.446 19210 613 1 4 . 1 1 25 25 ALA H H 25 7.942 7.942 7.417 0.525 19210 614 1 4 . 1 1 26 26 GLN N N 26 117.396 117.396 120.359 -2.963 19210 615 1 4 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.105 0.008 19210 616 1 4 . 1 1 26 26 GLN H H 26 8.827 8.827 8.442 0.385 19210 617 1 4 . 1 1 27 27 CYS N N 27 112.799 112.799 117.056 -4.257 19210 618 1 4 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.698 -0.143 19210 619 1 4 . 1 1 27 27 CYS H H 27 7.805 7.805 7.699 0.106 19210 620 1 4 . 1 1 28 28 GLY N N 28 104.351 104.351 110.347 -5.996 19210 621 1 4 . 1 1 28 28 GLY H H 28 9.163 9.163 8.845 0.318 19210 622 1 4 . 1 1 29 29 GLU N N 29 117.534 117.534 117.305 0.229 19210 623 1 4 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.469 0.313 19210 624 1 4 . 1 1 29 29 GLU H H 29 7.844 7.844 7.627 0.217 19210 625 1 4 . 1 1 30 30 GLY N N 30 107.933 107.933 108.197 -0.264 19210 626 1 4 . 1 1 30 30 GLY H H 30 8.391 8.391 7.884 0.507 19210 627 1 4 . 1 1 31 31 LEU N N 31 120.439 120.439 121.546 -1.107 19210 628 1 4 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.420 -0.066 19210 629 1 4 . 1 1 31 31 LEU H H 31 8.960 8.960 8.179 0.781 19210 630 1 4 . 1 1 32 32 CYS N N 32 114.457 114.457 118.381 -3.924 19210 631 1 4 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.634 0.474 19210 632 1 4 . 1 1 32 32 CYS H H 32 8.467 8.467 7.960 0.507 19210 633 1 4 . 1 1 33 33 CYS N N 33 120.753 120.753 120.774 -0.021 19210 634 1 4 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.334 -0.043 19210 635 1 4 . 1 1 33 33 CYS H H 33 7.365 7.365 7.525 -0.160 19210 636 1 4 . 1 1 34 34 GLU N N 34 128.062 128.062 125.287 2.775 19210 637 1 4 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.406 0.276 19210 638 1 4 . 1 1 34 34 GLU H H 34 9.742 9.742 8.281 1.461 19210 639 1 4 . 1 1 35 35 GLN N N 35 124.793 124.793 125.217 -0.424 19210 640 1 4 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.986 0.013 19210 641 1 4 . 1 1 35 35 GLN H H 35 9.453 9.453 9.167 0.286 19210 642 1 4 . 1 1 36 36 CYS N N 36 104.799 104.799 114.080 -9.281 19210 643 1 4 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.124 0.677 19210 644 1 4 . 1 1 36 36 CYS H H 36 8.492 8.492 8.361 0.131 19210 645 1 4 . 1 1 37 37 LYS N N 37 120.580 120.580 117.486 3.094 19210 646 1 4 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.477 0.226 19210 647 1 4 . 1 1 37 37 LYS H H 37 8.024 8.024 7.307 0.717 19210 648 1 4 . 1 1 38 38 PHE N N 38 119.267 119.267 119.291 -0.024 19210 649 1 4 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.961 0.180 19210 650 1 4 . 1 1 38 38 PHE H H 38 8.276 8.276 8.435 -0.159 19210 651 1 4 . 1 1 39 39 SER N N 39 120.055 120.055 119.870 0.185 19210 652 1 4 . 1 1 39 39 SER HA H 39 4.274 4.274 4.349 -0.075 19210 653 1 4 . 1 1 39 39 SER H H 39 9.044 9.044 8.952 0.092 19210 654 1 4 . 1 1 40 40 ARG N N 40 121.118 121.118 120.665 0.453 19210 655 1 4 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.458 -0.357 19210 656 1 4 . 1 1 40 40 ARG H H 40 8.573 8.573 8.472 0.101 19210 657 1 4 . 1 1 41 41 ALA N N 41 123.139 123.139 121.593 1.546 19210 658 1 4 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.456 -0.732 19210 659 1 4 . 1 1 41 41 ALA H H 41 8.501 8.501 8.262 0.239 19210 660 1 4 . 1 1 42 42 GLY N N 42 109.789 109.789 108.414 1.375 19210 661 1 4 . 1 1 42 42 GLY H H 42 8.619 8.619 8.657 -0.038 19210 662 1 4 . 1 1 43 43 LYS N N 43 122.160 122.160 120.514 1.646 19210 663 1 4 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.550 -0.401 19210 664 1 4 . 1 1 43 43 LYS H H 43 7.535 7.535 7.366 0.169 19210 665 1 4 . 1 1 44 44 ILE N N 44 128.214 128.214 129.676 -1.462 19210 666 1 4 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.597 -0.479 19210 667 1 4 . 1 1 44 44 ILE H H 44 8.902 8.902 8.710 0.192 19210 668 1 4 . 1 1 45 45 CYS N N 45 123.076 123.076 125.226 -2.150 19210 669 1 4 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.567 0.624 19210 670 1 4 . 1 1 45 45 CYS H H 45 9.417 9.417 8.500 0.917 19210 671 1 4 . 1 1 46 46 ARG N N 46 122.593 122.593 118.895 3.698 19210 672 1 4 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.663 -0.188 19210 673 1 4 . 1 1 46 46 ARG H H 46 7.611 7.611 7.560 0.051 19210 674 1 4 . 1 1 47 47 ILE N N 47 126.701 126.701 120.836 5.865 19210 675 1 4 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.604 -0.316 19210 676 1 4 . 1 1 47 47 ILE H H 47 8.517 8.517 8.224 0.293 19210 677 1 4 . 1 1 48 48 ALA N N 48 130.503 130.503 124.112 6.391 19210 678 1 4 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.871 -0.548 19210 679 1 4 . 1 1 48 48 ALA H H 48 9.374 9.374 8.518 0.856 19210 680 1 4 . 1 1 49 49 ARG N N 49 118.315 118.315 118.233 0.082 19210 681 1 4 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.485 -0.087 19210 682 1 4 . 1 1 49 49 ARG H H 49 8.331 8.331 8.365 -0.034 19210 683 1 4 . 1 1 50 50 GLY N N 50 109.557 109.557 111.686 -2.129 19210 684 1 4 . 1 1 50 50 GLY H H 50 8.426 8.426 7.366 1.060 19210 685 1 4 . 1 1 51 51 ASP N N 51 120.231 120.231 124.761 -4.530 19210 686 1 4 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.362 0.297 19210 687 1 4 . 1 1 51 51 ASP H H 51 8.610 8.610 7.649 0.961 19210 688 1 4 . 1 1 52 52 TRP N N 52 118.920 118.920 124.438 -5.518 19210 689 1 4 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.606 0.190 19210 690 1 4 . 1 1 52 52 TRP H H 52 7.862 7.862 8.034 -0.172 19210 691 1 4 . 1 1 53 53 ASN N N 53 116.604 116.604 124.593 -7.989 19210 692 1 4 . 1 1 53 53 ASN HA H 53 4.800 4.800 5.032 -0.232 19210 693 1 4 . 1 1 53 53 ASN H H 53 8.325 8.325 8.746 -0.421 19210 694 1 4 . 1 1 54 54 ASP N N 54 119.405 119.405 120.344 -0.939 19210 695 1 4 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.387 0.317 19210 696 1 4 . 1 1 54 54 ASP H H 54 8.186 8.186 8.084 0.102 19210 697 1 4 . 1 1 55 55 ASP N N 55 120.911 120.911 121.384 -0.473 19210 698 1 4 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.800 0.251 19210 699 1 4 . 1 1 55 55 ASP H H 55 8.640 8.640 8.122 0.518 19210 700 1 4 . 1 1 56 56 ARG N N 56 119.204 119.204 121.345 -2.141 19210 701 1 4 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.962 0.379 19210 702 1 4 . 1 1 56 56 ARG H H 56 8.234 8.234 8.452 -0.218 19210 703 1 4 . 1 1 57 57 CYS N N 57 119.250 119.250 123.516 -4.266 19210 704 1 4 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.380 0.504 19210 705 1 4 . 1 1 57 57 CYS H H 57 9.344 9.344 8.999 0.345 19210 706 1 4 . 1 1 58 58 THR N N 58 112.882 112.882 112.757 0.125 19210 707 1 4 . 1 1 58 58 THR HA H 58 4.442 4.442 4.226 0.216 19210 708 1 4 . 1 1 58 58 THR H H 58 10.180 10.180 8.821 1.359 19210 709 1 4 . 1 1 59 59 GLY N N 59 111.190 111.190 109.580 1.610 19210 710 1 4 . 1 1 59 59 GLY H H 59 8.546 8.546 8.181 0.365 19210 711 1 4 . 1 1 60 60 GLN N N 60 114.377 114.377 118.064 -3.687 19210 712 1 4 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.079 0.219 19210 713 1 4 . 1 1 60 60 GLN H H 60 7.986 7.986 7.641 0.345 19210 714 1 4 . 1 1 61 61 SER N N 61 110.403 110.403 117.240 -6.837 19210 715 1 4 . 1 1 61 61 SER HA H 61 3.880 3.880 4.330 -0.450 19210 716 1 4 . 1 1 61 61 SER H H 61 6.630 6.630 7.403 -0.773 19210 717 1 4 . 1 1 62 62 ALA N N 62 125.118 125.118 128.110 -2.992 19210 718 1 4 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.453 -0.018 19210 719 1 4 . 1 1 62 62 ALA H H 62 9.027 9.027 8.803 0.224 19210 720 1 4 . 1 1 63 63 ASP N N 63 116.936 116.936 116.955 -0.019 19210 721 1 4 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.723 0.172 19210 722 1 4 . 1 1 63 63 ASP H H 63 8.080 8.080 8.075 0.005 19210 723 1 4 . 1 1 64 64 CYS N N 64 121.286 121.286 119.938 1.348 19210 724 1 4 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.783 0.620 19210 725 1 4 . 1 1 64 64 CYS H H 64 8.924 8.924 8.361 0.563 19210 726 1 4 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.801 -0.426 19210 727 1 4 . 1 1 66 66 ARG N N 66 118.950 118.950 117.713 1.237 19210 728 1 4 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.426 -0.064 19210 729 1 4 . 1 1 66 66 ARG H H 66 8.203 8.203 8.007 0.196 19210 730 1 4 . 1 1 67 67 TYR N N 67 123.890 123.890 117.410 6.480 19210 731 1 4 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.475 -0.016 19210 732 1 4 . 1 1 67 67 TYR H H 67 8.650 8.650 8.679 -0.029 19210 733 1 5 . 1 1 2 2 LYS N N 2 120.685 120.685 122.200 -1.515 19210 734 1 5 . 1 1 2 2 LYS H H 2 8.331 8.331 8.123 0.208 19210 735 1 5 . 1 1 3 3 GLU N N 3 120.726 120.726 118.790 1.936 19210 736 1 5 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.383 -0.061 19210 737 1 5 . 1 1 3 3 GLU H H 3 8.659 8.659 8.537 0.122 19210 738 1 5 . 1 1 4 4 CYS N N 4 119.143 119.143 118.323 0.820 19210 739 1 5 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.714 0.261 19210 740 1 5 . 1 1 4 4 CYS H H 4 8.116 8.116 7.587 0.529 19210 741 1 5 . 1 1 5 5 ASP N N 5 119.126 119.126 125.316 -6.190 19210 742 1 5 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.744 0.073 19210 743 1 5 . 1 1 5 5 ASP H H 5 8.776 8.776 9.192 -0.416 19210 744 1 5 . 1 1 6 6 CYS N N 6 112.124 112.124 116.506 -4.382 19210 745 1 5 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.755 0.176 19210 746 1 5 . 1 1 6 6 CYS H H 6 6.975 6.975 7.572 -0.597 19210 747 1 5 . 1 1 7 7 SER N N 7 118.845 118.845 117.430 1.415 19210 748 1 5 . 1 1 7 7 SER HA H 7 4.226 4.226 4.445 -0.219 19210 749 1 5 . 1 1 7 7 SER H H 7 9.659 9.659 8.756 0.903 19210 750 1 5 . 1 1 8 8 SER N N 8 115.212 115.212 117.508 -2.296 19210 751 1 5 . 1 1 8 8 SER HA H 8 5.137 5.137 4.726 0.411 19210 752 1 5 . 1 1 8 8 SER H H 8 7.862 7.862 7.695 0.167 19210 753 1 5 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.472 0.087 19210 754 1 5 . 1 1 10 10 GLU N N 10 116.255 116.255 117.095 -0.840 19210 755 1 5 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.436 -0.142 19210 756 1 5 . 1 1 10 10 GLU H H 10 8.244 8.244 8.037 0.207 19210 757 1 5 . 1 1 11 11 ASN N N 11 120.176 120.176 119.768 0.408 19210 758 1 5 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.969 -0.175 19210 759 1 5 . 1 1 11 11 ASN H H 11 7.260 7.260 7.573 -0.313 19210 760 1 5 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.493 0.211 19210 761 1 5 . 1 1 13 13 CYS N N 13 117.315 117.315 117.304 0.011 19210 762 1 5 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.522 0.126 19210 763 1 5 . 1 1 13 13 CYS H H 13 8.931 8.931 8.021 0.910 19210 764 1 5 . 1 1 14 14 CYS N N 14 111.828 111.828 116.645 -4.817 19210 765 1 5 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.000 0.056 19210 766 1 5 . 1 1 14 14 CYS H H 14 7.543 7.543 7.462 0.081 19210 767 1 5 . 1 1 15 15 ASP N N 15 120.797 120.797 122.790 -1.993 19210 768 1 5 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.657 -0.087 19210 769 1 5 . 1 1 15 15 ASP H H 15 8.212 8.212 8.898 -0.686 19210 770 1 5 . 1 1 16 16 ALA N N 16 130.631 130.631 130.394 0.237 19210 771 1 5 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.106 0.042 19210 772 1 5 . 1 1 16 16 ALA H H 16 8.996 8.996 8.655 0.341 19210 773 1 5 . 1 1 17 17 ALA N N 17 104.931 104.931 121.781 -16.850 19210 774 1 5 . 1 1 17 17 ALA HA H 17 4.361 4.361 3.969 0.392 19210 775 1 5 . 1 1 17 17 ALA H H 17 8.669 8.669 8.048 0.621 19210 776 1 5 . 1 1 18 18 THR N N 18 104.831 104.831 110.068 -5.237 19210 777 1 5 . 1 1 18 18 THR HA H 18 4.445 4.445 4.333 0.112 19210 778 1 5 . 1 1 18 18 THR H H 18 7.743 7.743 7.704 0.039 19210 779 1 5 . 1 1 19 19 CYS N N 19 118.516 118.516 119.436 -0.920 19210 780 1 5 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.190 0.452 19210 781 1 5 . 1 1 19 19 CYS H H 19 8.601 8.601 8.458 0.143 19210 782 1 5 . 1 1 20 20 LYS N N 20 117.755 117.755 117.379 0.376 19210 783 1 5 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.758 0.187 19210 784 1 5 . 1 1 20 20 LYS H H 20 7.964 7.964 7.488 0.476 19210 785 1 5 . 1 1 21 21 LEU N N 21 119.922 119.922 121.022 -1.100 19210 786 1 5 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.370 -0.085 19210 787 1 5 . 1 1 21 21 LEU H H 21 9.211 9.211 8.616 0.595 19210 788 1 5 . 1 1 22 22 ARG N N 22 121.994 121.994 126.252 -4.258 19210 789 1 5 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.433 0.015 19210 790 1 5 . 1 1 22 22 ARG H H 22 8.490 8.490 8.278 0.212 19210 791 1 5 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.551 -0.162 19210 792 1 5 . 1 1 24 24 GLY N N 24 113.118 113.118 106.310 6.808 19210 793 1 5 . 1 1 24 24 GLY H H 24 8.830 8.830 8.235 0.595 19210 794 1 5 . 1 1 25 25 ALA N N 25 122.763 122.763 121.167 1.596 19210 795 1 5 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.135 0.405 19210 796 1 5 . 1 1 25 25 ALA H H 25 7.942 7.942 7.346 0.596 19210 797 1 5 . 1 1 26 26 GLN N N 26 117.396 117.396 120.171 -2.775 19210 798 1 5 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.146 -0.033 19210 799 1 5 . 1 1 26 26 GLN H H 26 8.827 8.827 8.622 0.205 19210 800 1 5 . 1 1 27 27 CYS N N 27 112.799 112.799 111.088 1.711 19210 801 1 5 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.637 -0.082 19210 802 1 5 . 1 1 27 27 CYS H H 27 7.805 7.805 7.600 0.205 19210 803 1 5 . 1 1 28 28 GLY N N 28 104.351 104.351 108.515 -4.164 19210 804 1 5 . 1 1 28 28 GLY H H 28 9.163 9.163 8.651 0.512 19210 805 1 5 . 1 1 29 29 GLU N N 29 117.534 117.534 117.934 -0.400 19210 806 1 5 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.559 0.223 19210 807 1 5 . 1 1 29 29 GLU H H 29 7.844 7.844 7.583 0.261 19210 808 1 5 . 1 1 30 30 GLY N N 30 107.933 107.933 107.462 0.471 19210 809 1 5 . 1 1 30 30 GLY H H 30 8.391 8.391 7.951 0.440 19210 810 1 5 . 1 1 31 31 LEU N N 31 120.439 120.439 120.899 -0.460 19210 811 1 5 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.411 -0.057 19210 812 1 5 . 1 1 31 31 LEU H H 31 8.960 8.960 8.425 0.535 19210 813 1 5 . 1 1 32 32 CYS N N 32 114.457 114.457 119.150 -4.693 19210 814 1 5 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.621 0.487 19210 815 1 5 . 1 1 32 32 CYS H H 32 8.467 8.467 7.960 0.507 19210 816 1 5 . 1 1 33 33 CYS N N 33 120.753 120.753 120.957 -0.204 19210 817 1 5 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.433 -0.142 19210 818 1 5 . 1 1 33 33 CYS H H 33 7.365 7.365 7.975 -0.610 19210 819 1 5 . 1 1 34 34 GLU N N 34 128.062 128.062 126.157 1.905 19210 820 1 5 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.583 0.099 19210 821 1 5 . 1 1 34 34 GLU H H 34 9.742 9.742 8.458 1.284 19210 822 1 5 . 1 1 35 35 GLN N N 35 124.793 124.793 119.711 5.082 19210 823 1 5 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.976 0.023 19210 824 1 5 . 1 1 35 35 GLN H H 35 9.453 9.453 9.024 0.429 19210 825 1 5 . 1 1 36 36 CYS N N 36 104.799 104.799 112.009 -7.210 19210 826 1 5 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.045 0.756 19210 827 1 5 . 1 1 36 36 CYS H H 36 8.492 8.492 8.538 -0.046 19210 828 1 5 . 1 1 37 37 LYS N N 37 120.580 120.580 117.877 2.703 19210 829 1 5 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.355 0.348 19210 830 1 5 . 1 1 37 37 LYS H H 37 8.024 8.024 7.419 0.605 19210 831 1 5 . 1 1 38 38 PHE N N 38 119.267 119.267 120.012 -0.745 19210 832 1 5 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.675 0.466 19210 833 1 5 . 1 1 38 38 PHE H H 38 8.276 8.276 8.175 0.101 19210 834 1 5 . 1 1 39 39 SER N N 39 120.055 120.055 121.002 -0.947 19210 835 1 5 . 1 1 39 39 SER HA H 39 4.274 4.274 4.325 -0.051 19210 836 1 5 . 1 1 39 39 SER H H 39 9.044 9.044 9.013 0.031 19210 837 1 5 . 1 1 40 40 ARG N N 40 121.118 121.118 120.464 0.654 19210 838 1 5 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.516 -0.415 19210 839 1 5 . 1 1 40 40 ARG H H 40 8.573 8.573 8.283 0.290 19210 840 1 5 . 1 1 41 41 ALA N N 41 123.139 123.139 122.159 0.980 19210 841 1 5 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.507 -0.783 19210 842 1 5 . 1 1 41 41 ALA H H 41 8.501 8.501 8.285 0.216 19210 843 1 5 . 1 1 42 42 GLY N N 42 109.789 109.789 107.858 1.931 19210 844 1 5 . 1 1 42 42 GLY H H 42 8.619 8.619 8.656 -0.037 19210 845 1 5 . 1 1 43 43 LYS N N 43 122.160 122.160 121.137 1.023 19210 846 1 5 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.556 -0.407 19210 847 1 5 . 1 1 43 43 LYS H H 43 7.535 7.535 7.291 0.244 19210 848 1 5 . 1 1 44 44 ILE N N 44 128.214 128.214 128.990 -0.776 19210 849 1 5 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.261 -0.143 19210 850 1 5 . 1 1 44 44 ILE H H 44 8.902 8.902 8.573 0.329 19210 851 1 5 . 1 1 45 45 CYS N N 45 123.076 123.076 123.687 -0.611 19210 852 1 5 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.365 0.826 19210 853 1 5 . 1 1 45 45 CYS H H 45 9.417 9.417 8.459 0.958 19210 854 1 5 . 1 1 46 46 ARG N N 46 122.593 122.593 120.196 2.397 19210 855 1 5 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.606 -0.131 19210 856 1 5 . 1 1 46 46 ARG H H 46 7.611 7.611 7.442 0.169 19210 857 1 5 . 1 1 47 47 ILE N N 47 126.701 126.701 124.702 1.999 19210 858 1 5 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.457 -0.169 19210 859 1 5 . 1 1 47 47 ILE H H 47 8.517 8.517 8.563 -0.046 19210 860 1 5 . 1 1 48 48 ALA N N 48 130.503 130.503 130.862 -0.359 19210 861 1 5 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.806 -0.483 19210 862 1 5 . 1 1 48 48 ALA H H 48 9.374 9.374 8.596 0.778 19210 863 1 5 . 1 1 49 49 ARG N N 49 118.315 118.315 120.042 -1.727 19210 864 1 5 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.458 -0.060 19210 865 1 5 . 1 1 49 49 ARG H H 49 8.331 8.331 9.183 -0.852 19210 866 1 5 . 1 1 50 50 GLY N N 50 109.557 109.557 105.367 4.190 19210 867 1 5 . 1 1 50 50 GLY H H 50 8.426 8.426 7.011 1.415 19210 868 1 5 . 1 1 51 51 ASP N N 51 120.231 120.231 118.559 1.672 19210 869 1 5 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.229 0.430 19210 870 1 5 . 1 1 51 51 ASP H H 51 8.610 8.610 8.377 0.233 19210 871 1 5 . 1 1 52 52 TRP N N 52 118.920 118.920 118.946 -0.026 19210 872 1 5 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.808 -0.012 19210 873 1 5 . 1 1 52 52 TRP H H 52 7.862 7.862 5.905 1.957 19210 874 1 5 . 1 1 53 53 ASN N N 53 116.604 116.604 119.444 -2.840 19210 875 1 5 . 1 1 53 53 ASN HA H 53 4.800 4.800 5.013 -0.213 19210 876 1 5 . 1 1 53 53 ASN H H 53 8.325 8.325 8.729 -0.404 19210 877 1 5 . 1 1 54 54 ASP N N 54 119.405 119.405 122.387 -2.982 19210 878 1 5 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.610 0.094 19210 879 1 5 . 1 1 54 54 ASP H H 54 8.186 8.186 8.562 -0.376 19210 880 1 5 . 1 1 55 55 ASP N N 55 120.911 120.911 122.222 -1.311 19210 881 1 5 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.947 0.104 19210 882 1 5 . 1 1 55 55 ASP H H 55 8.640 8.640 8.268 0.372 19210 883 1 5 . 1 1 56 56 ARG N N 56 119.204 119.204 121.483 -2.279 19210 884 1 5 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.998 0.343 19210 885 1 5 . 1 1 56 56 ARG H H 56 8.234 8.234 8.530 -0.296 19210 886 1 5 . 1 1 57 57 CYS N N 57 119.250 119.250 124.533 -5.283 19210 887 1 5 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.290 0.594 19210 888 1 5 . 1 1 57 57 CYS H H 57 9.344 9.344 8.778 0.566 19210 889 1 5 . 1 1 58 58 THR N N 58 112.882 112.882 111.516 1.366 19210 890 1 5 . 1 1 58 58 THR HA H 58 4.442 4.442 4.145 0.297 19210 891 1 5 . 1 1 58 58 THR H H 58 10.180 10.180 8.465 1.715 19210 892 1 5 . 1 1 59 59 GLY N N 59 111.190 111.190 108.985 2.205 19210 893 1 5 . 1 1 59 59 GLY H H 59 8.546 8.546 8.234 0.312 19210 894 1 5 . 1 1 60 60 GLN N N 60 114.377 114.377 117.901 -3.524 19210 895 1 5 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.928 0.370 19210 896 1 5 . 1 1 60 60 GLN H H 60 7.986 7.986 7.630 0.356 19210 897 1 5 . 1 1 61 61 SER N N 61 110.403 110.403 114.154 -3.751 19210 898 1 5 . 1 1 61 61 SER HA H 61 3.880 3.880 4.191 -0.311 19210 899 1 5 . 1 1 61 61 SER H H 61 6.630 6.630 7.254 -0.624 19210 900 1 5 . 1 1 62 62 ALA N N 62 125.118 125.118 125.178 -0.060 19210 901 1 5 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.672 -0.237 19210 902 1 5 . 1 1 62 62 ALA H H 62 9.027 9.027 8.593 0.434 19210 903 1 5 . 1 1 63 63 ASP N N 63 116.936 116.936 120.984 -4.048 19210 904 1 5 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.699 0.196 19210 905 1 5 . 1 1 63 63 ASP H H 63 8.080 8.080 8.192 -0.112 19210 906 1 5 . 1 1 64 64 CYS N N 64 121.286 121.286 123.587 -2.301 19210 907 1 5 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.315 1.088 19210 908 1 5 . 1 1 64 64 CYS H H 64 8.924 8.924 7.965 0.959 19210 909 1 5 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.476 -0.101 19210 910 1 5 . 1 1 66 66 ARG N N 66 118.950 118.950 116.602 2.348 19210 911 1 5 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.174 0.188 19210 912 1 5 . 1 1 66 66 ARG H H 66 8.203 8.203 7.930 0.273 19210 913 1 5 . 1 1 67 67 TYR N N 67 123.890 123.890 119.045 4.845 19210 914 1 5 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.640 -0.181 19210 915 1 5 . 1 1 67 67 TYR H H 67 8.650 8.650 8.220 0.430 19210 916 1 6 . 1 1 2 2 LYS N N 2 120.685 120.685 122.227 -1.542 19210 917 1 6 . 1 1 2 2 LYS H H 2 8.331 8.331 8.093 0.238 19210 918 1 6 . 1 1 3 3 GLU N N 3 120.726 120.726 120.192 0.534 19210 919 1 6 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.434 -0.112 19210 920 1 6 . 1 1 3 3 GLU H H 3 8.659 8.659 8.581 0.078 19210 921 1 6 . 1 1 4 4 CYS N N 4 119.143 119.143 119.050 0.093 19210 922 1 6 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.771 0.204 19210 923 1 6 . 1 1 4 4 CYS H H 4 8.116 8.116 8.050 0.066 19210 924 1 6 . 1 1 5 5 ASP N N 5 119.126 119.126 124.264 -5.138 19210 925 1 6 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.737 0.080 19210 926 1 6 . 1 1 5 5 ASP H H 5 8.776 8.776 9.091 -0.315 19210 927 1 6 . 1 1 6 6 CYS N N 6 112.124 112.124 111.917 0.207 19210 928 1 6 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.933 -0.002 19210 929 1 6 . 1 1 6 6 CYS H H 6 6.975 6.975 7.378 -0.403 19210 930 1 6 . 1 1 7 7 SER N N 7 118.845 118.845 115.908 2.937 19210 931 1 6 . 1 1 7 7 SER HA H 7 4.226 4.226 4.446 -0.220 19210 932 1 6 . 1 1 7 7 SER H H 7 9.659 9.659 8.599 1.060 19210 933 1 6 . 1 1 8 8 SER N N 8 115.212 115.212 116.783 -1.571 19210 934 1 6 . 1 1 8 8 SER HA H 8 5.137 5.137 4.906 0.231 19210 935 1 6 . 1 1 8 8 SER H H 8 7.862 7.862 7.606 0.256 19210 936 1 6 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.492 0.067 19210 937 1 6 . 1 1 10 10 GLU N N 10 116.255 116.255 118.542 -2.287 19210 938 1 6 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.380 -0.086 19210 939 1 6 . 1 1 10 10 GLU H H 10 8.244 8.244 8.210 0.034 19210 940 1 6 . 1 1 11 11 ASN N N 11 120.176 120.176 119.508 0.668 19210 941 1 6 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.930 -0.136 19210 942 1 6 . 1 1 11 11 ASN H H 11 7.260 7.260 7.501 -0.241 19210 943 1 6 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.446 0.258 19210 944 1 6 . 1 1 13 13 CYS N N 13 117.315 117.315 115.659 1.656 19210 945 1 6 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.243 0.405 19210 946 1 6 . 1 1 13 13 CYS H H 13 8.931 8.931 8.524 0.407 19210 947 1 6 . 1 1 14 14 CYS N N 14 111.828 111.828 115.821 -3.993 19210 948 1 6 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.670 0.386 19210 949 1 6 . 1 1 14 14 CYS H H 14 7.543 7.543 7.589 -0.046 19210 950 1 6 . 1 1 15 15 ASP N N 15 120.797 120.797 126.041 -5.244 19210 951 1 6 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.415 0.155 19210 952 1 6 . 1 1 15 15 ASP H H 15 8.212 8.212 8.852 -0.640 19210 953 1 6 . 1 1 16 16 ALA N N 16 130.631 130.631 129.387 1.244 19210 954 1 6 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.044 0.104 19210 955 1 6 . 1 1 16 16 ALA H H 16 8.996 8.996 8.699 0.297 19210 956 1 6 . 1 1 17 17 ALA N N 17 104.931 104.931 121.484 -16.553 19210 957 1 6 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.181 0.180 19210 958 1 6 . 1 1 17 17 ALA H H 17 8.669 8.669 8.158 0.511 19210 959 1 6 . 1 1 18 18 THR N N 18 104.831 104.831 112.779 -7.948 19210 960 1 6 . 1 1 18 18 THR HA H 18 4.445 4.445 4.470 -0.025 19210 961 1 6 . 1 1 18 18 THR H H 18 7.743 7.743 7.981 -0.238 19210 962 1 6 . 1 1 19 19 CYS N N 19 118.516 118.516 116.847 1.669 19210 963 1 6 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.207 0.435 19210 964 1 6 . 1 1 19 19 CYS H H 19 8.601 8.601 7.718 0.883 19210 965 1 6 . 1 1 20 20 LYS N N 20 117.755 117.755 118.108 -0.353 19210 966 1 6 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.638 0.307 19210 967 1 6 . 1 1 20 20 LYS H H 20 7.964 7.964 7.428 0.536 19210 968 1 6 . 1 1 21 21 LEU N N 21 119.922 119.922 123.991 -4.069 19210 969 1 6 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.223 0.062 19210 970 1 6 . 1 1 21 21 LEU H H 21 9.211 9.211 8.862 0.349 19210 971 1 6 . 1 1 22 22 ARG N N 22 121.994 121.994 126.191 -4.197 19210 972 1 6 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.353 0.095 19210 973 1 6 . 1 1 22 22 ARG H H 22 8.490 8.490 8.353 0.137 19210 974 1 6 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.474 -0.085 19210 975 1 6 . 1 1 24 24 GLY N N 24 113.118 113.118 106.674 6.444 19210 976 1 6 . 1 1 24 24 GLY H H 24 8.830 8.830 8.392 0.438 19210 977 1 6 . 1 1 25 25 ALA N N 25 122.763 122.763 121.847 0.916 19210 978 1 6 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.533 0.007 19210 979 1 6 . 1 1 25 25 ALA H H 25 7.942 7.942 7.406 0.536 19210 980 1 6 . 1 1 26 26 GLN N N 26 117.396 117.396 119.979 -2.583 19210 981 1 6 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.071 0.042 19210 982 1 6 . 1 1 26 26 GLN H H 26 8.827 8.827 8.305 0.522 19210 983 1 6 . 1 1 27 27 CYS N N 27 112.799 112.799 116.668 -3.869 19210 984 1 6 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.590 -0.035 19210 985 1 6 . 1 1 27 27 CYS H H 27 7.805 7.805 6.967 0.838 19210 986 1 6 . 1 1 28 28 GLY N N 28 104.351 104.351 111.499 -7.148 19210 987 1 6 . 1 1 28 28 GLY H H 28 9.163 9.163 8.617 0.546 19210 988 1 6 . 1 1 29 29 GLU N N 29 117.534 117.534 119.210 -1.676 19210 989 1 6 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.439 0.343 19210 990 1 6 . 1 1 29 29 GLU H H 29 7.844 7.844 7.883 -0.039 19210 991 1 6 . 1 1 30 30 GLY N N 30 107.933 107.933 111.080 -3.147 19210 992 1 6 . 1 1 30 30 GLY H H 30 8.391 8.391 8.423 -0.032 19210 993 1 6 . 1 1 31 31 LEU N N 31 120.439 120.439 122.245 -1.806 19210 994 1 6 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.104 0.250 19210 995 1 6 . 1 1 31 31 LEU H H 31 8.960 8.960 8.678 0.282 19210 996 1 6 . 1 1 32 32 CYS N N 32 114.457 114.457 115.126 -0.669 19210 997 1 6 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.632 0.476 19210 998 1 6 . 1 1 32 32 CYS H H 32 8.467 8.467 8.115 0.352 19210 999 1 6 . 1 1 33 33 CYS N N 33 120.753 120.753 120.732 0.021 19210 1000 1 6 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.445 -0.154 19210 1001 1 6 . 1 1 33 33 CYS H H 33 7.365 7.365 7.936 -0.571 19210 1002 1 6 . 1 1 34 34 GLU N N 34 128.062 128.062 124.333 3.729 19210 1003 1 6 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.479 0.203 19210 1004 1 6 . 1 1 34 34 GLU H H 34 9.742 9.742 8.229 1.513 19210 1005 1 6 . 1 1 35 35 GLN N N 35 124.793 124.793 122.636 2.157 19210 1006 1 6 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.950 0.049 19210 1007 1 6 . 1 1 35 35 GLN H H 35 9.453 9.453 8.970 0.483 19210 1008 1 6 . 1 1 36 36 CYS N N 36 104.799 104.799 114.992 -10.193 19210 1009 1 6 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.177 0.624 19210 1010 1 6 . 1 1 36 36 CYS H H 36 8.492 8.492 8.453 0.039 19210 1011 1 6 . 1 1 37 37 LYS N N 37 120.580 120.580 117.294 3.286 19210 1012 1 6 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.400 0.303 19210 1013 1 6 . 1 1 37 37 LYS H H 37 8.024 8.024 7.116 0.908 19210 1014 1 6 . 1 1 38 38 PHE N N 38 119.267 119.267 120.801 -1.534 19210 1015 1 6 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.856 0.285 19210 1016 1 6 . 1 1 38 38 PHE H H 38 8.276 8.276 8.532 -0.256 19210 1017 1 6 . 1 1 39 39 SER N N 39 120.055 120.055 121.471 -1.416 19210 1018 1 6 . 1 1 39 39 SER HA H 39 4.274 4.274 4.411 -0.137 19210 1019 1 6 . 1 1 39 39 SER H H 39 9.044 9.044 8.861 0.183 19210 1020 1 6 . 1 1 40 40 ARG N N 40 121.118 121.118 119.932 1.186 19210 1021 1 6 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.203 -0.102 19210 1022 1 6 . 1 1 40 40 ARG H H 40 8.573 8.573 8.515 0.058 19210 1023 1 6 . 1 1 41 41 ALA N N 41 123.139 123.139 120.606 2.533 19210 1024 1 6 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.642 -0.918 19210 1025 1 6 . 1 1 41 41 ALA H H 41 8.501 8.501 8.251 0.250 19210 1026 1 6 . 1 1 42 42 GLY N N 42 109.789 109.789 106.387 3.402 19210 1027 1 6 . 1 1 42 42 GLY H H 42 8.619 8.619 8.329 0.290 19210 1028 1 6 . 1 1 43 43 LYS N N 43 122.160 122.160 120.921 1.239 19210 1029 1 6 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.179 -0.030 19210 1030 1 6 . 1 1 43 43 LYS H H 43 7.535 7.535 7.354 0.181 19210 1031 1 6 . 1 1 44 44 ILE N N 44 128.214 128.214 128.700 -0.486 19210 1032 1 6 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.139 -0.021 19210 1033 1 6 . 1 1 44 44 ILE H H 44 8.902 8.902 8.130 0.772 19210 1034 1 6 . 1 1 45 45 CYS N N 45 123.076 123.076 124.261 -1.185 19210 1035 1 6 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.318 0.873 19210 1036 1 6 . 1 1 45 45 CYS H H 45 9.417 9.417 8.658 0.759 19210 1037 1 6 . 1 1 46 46 ARG N N 46 122.593 122.593 119.570 3.023 19210 1038 1 6 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.587 -0.112 19210 1039 1 6 . 1 1 46 46 ARG H H 46 7.611 7.611 7.645 -0.034 19210 1040 1 6 . 1 1 47 47 ILE N N 47 126.701 126.701 120.879 5.822 19210 1041 1 6 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.491 -0.203 19210 1042 1 6 . 1 1 47 47 ILE H H 47 8.517 8.517 8.477 0.040 19210 1043 1 6 . 1 1 48 48 ALA N N 48 130.503 130.503 131.034 -0.531 19210 1044 1 6 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.727 -0.404 19210 1045 1 6 . 1 1 48 48 ALA H H 48 9.374 9.374 8.545 0.829 19210 1046 1 6 . 1 1 49 49 ARG N N 49 118.315 118.315 125.061 -6.746 19210 1047 1 6 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.621 -0.223 19210 1048 1 6 . 1 1 49 49 ARG H H 49 8.331 8.331 8.882 -0.551 19210 1049 1 6 . 1 1 50 50 GLY N N 50 109.557 109.557 114.590 -5.033 19210 1050 1 6 . 1 1 50 50 GLY H H 50 8.426 8.426 8.593 -0.167 19210 1051 1 6 . 1 1 51 51 ASP N N 51 120.231 120.231 119.422 0.809 19210 1052 1 6 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.535 0.124 19210 1053 1 6 . 1 1 51 51 ASP H H 51 8.610 8.610 6.821 1.789 19210 1054 1 6 . 1 1 52 52 TRP N N 52 118.920 118.920 120.971 -2.051 19210 1055 1 6 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.971 -0.175 19210 1056 1 6 . 1 1 52 52 TRP H H 52 7.862 7.862 6.916 0.946 19210 1057 1 6 . 1 1 53 53 ASN N N 53 116.604 116.604 121.273 -4.669 19210 1058 1 6 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.931 -0.131 19210 1059 1 6 . 1 1 53 53 ASN H H 53 8.325 8.325 8.490 -0.165 19210 1060 1 6 . 1 1 54 54 ASP N N 54 119.405 119.405 120.523 -1.118 19210 1061 1 6 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.692 0.012 19210 1062 1 6 . 1 1 54 54 ASP H H 54 8.186 8.186 8.581 -0.395 19210 1063 1 6 . 1 1 55 55 ASP N N 55 120.911 120.911 120.698 0.213 19210 1064 1 6 . 1 1 55 55 ASP HA H 55 5.051 5.051 5.044 0.007 19210 1065 1 6 . 1 1 55 55 ASP H H 55 8.640 8.640 8.416 0.224 19210 1066 1 6 . 1 1 56 56 ARG N N 56 119.204 119.204 122.612 -3.408 19210 1067 1 6 . 1 1 56 56 ARG HA H 56 5.341 5.341 5.087 0.254 19210 1068 1 6 . 1 1 56 56 ARG H H 56 8.234 8.234 8.547 -0.313 19210 1069 1 6 . 1 1 57 57 CYS N N 57 119.250 119.250 123.889 -4.639 19210 1070 1 6 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.420 0.464 19210 1071 1 6 . 1 1 57 57 CYS H H 57 9.344 9.344 8.625 0.719 19210 1072 1 6 . 1 1 58 58 THR N N 58 112.882 112.882 112.692 0.190 19210 1073 1 6 . 1 1 58 58 THR HA H 58 4.442 4.442 4.090 0.352 19210 1074 1 6 . 1 1 58 58 THR H H 58 10.180 10.180 8.847 1.333 19210 1075 1 6 . 1 1 59 59 GLY N N 59 111.190 111.190 109.819 1.371 19210 1076 1 6 . 1 1 59 59 GLY H H 59 8.546 8.546 8.205 0.341 19210 1077 1 6 . 1 1 60 60 GLN N N 60 114.377 114.377 121.175 -6.798 19210 1078 1 6 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.030 0.268 19210 1079 1 6 . 1 1 60 60 GLN H H 60 7.986 7.986 8.058 -0.072 19210 1080 1 6 . 1 1 61 61 SER N N 61 110.403 110.403 115.414 -5.011 19210 1081 1 6 . 1 1 61 61 SER HA H 61 3.880 3.880 4.337 -0.457 19210 1082 1 6 . 1 1 61 61 SER H H 61 6.630 6.630 7.411 -0.781 19210 1083 1 6 . 1 1 62 62 ALA N N 62 125.118 125.118 125.253 -0.135 19210 1084 1 6 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.933 -0.498 19210 1085 1 6 . 1 1 62 62 ALA H H 62 9.027 9.027 8.676 0.351 19210 1086 1 6 . 1 1 63 63 ASP N N 63 116.936 116.936 119.131 -2.195 19210 1087 1 6 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.947 -0.052 19210 1088 1 6 . 1 1 63 63 ASP H H 63 8.080 8.080 7.994 0.086 19210 1089 1 6 . 1 1 64 64 CYS N N 64 121.286 121.286 124.425 -3.139 19210 1090 1 6 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.634 0.769 19210 1091 1 6 . 1 1 64 64 CYS H H 64 8.924 8.924 8.531 0.393 19210 1092 1 6 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.538 -0.163 19210 1093 1 6 . 1 1 66 66 ARG N N 66 118.950 118.950 116.945 2.005 19210 1094 1 6 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.399 -0.037 19210 1095 1 6 . 1 1 66 66 ARG H H 66 8.203 8.203 8.081 0.122 19210 1096 1 6 . 1 1 67 67 TYR N N 67 123.890 123.890 121.988 1.902 19210 1097 1 6 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.694 -0.235 19210 1098 1 6 . 1 1 67 67 TYR H H 67 8.650 8.650 8.504 0.146 19210 1099 1 7 . 1 1 2 2 LYS N N 2 120.685 120.685 121.960 -1.275 19210 1100 1 7 . 1 1 2 2 LYS H H 2 8.331 8.331 8.530 -0.199 19210 1101 1 7 . 1 1 3 3 GLU N N 3 120.726 120.726 118.303 2.423 19210 1102 1 7 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.438 -0.116 19210 1103 1 7 . 1 1 3 3 GLU H H 3 8.659 8.659 8.325 0.334 19210 1104 1 7 . 1 1 4 4 CYS N N 4 119.143 119.143 119.230 -0.087 19210 1105 1 7 . 1 1 4 4 CYS HA H 4 4.975 4.975 5.037 -0.062 19210 1106 1 7 . 1 1 4 4 CYS H H 4 8.116 8.116 7.933 0.183 19210 1107 1 7 . 1 1 5 5 ASP N N 5 119.126 119.126 122.468 -3.342 19210 1108 1 7 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.621 0.196 19210 1109 1 7 . 1 1 5 5 ASP H H 5 8.776 8.776 8.109 0.667 19210 1110 1 7 . 1 1 6 6 CYS N N 6 112.124 112.124 115.878 -3.754 19210 1111 1 7 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.536 0.395 19210 1112 1 7 . 1 1 6 6 CYS H H 6 6.975 6.975 8.605 -1.630 19210 1113 1 7 . 1 1 7 7 SER N N 7 118.845 118.845 118.424 0.421 19210 1114 1 7 . 1 1 7 7 SER HA H 7 4.226 4.226 4.541 -0.315 19210 1115 1 7 . 1 1 7 7 SER H H 7 9.659 9.659 8.727 0.932 19210 1116 1 7 . 1 1 8 8 SER N N 8 115.212 115.212 118.799 -3.587 19210 1117 1 7 . 1 1 8 8 SER HA H 8 5.137 5.137 4.965 0.172 19210 1118 1 7 . 1 1 8 8 SER H H 8 7.862 7.862 7.703 0.159 19210 1119 1 7 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.455 0.104 19210 1120 1 7 . 1 1 10 10 GLU N N 10 116.255 116.255 117.472 -1.217 19210 1121 1 7 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.214 0.080 19210 1122 1 7 . 1 1 10 10 GLU H H 10 8.244 8.244 8.294 -0.050 19210 1123 1 7 . 1 1 11 11 ASN N N 11 120.176 120.176 119.534 0.642 19210 1124 1 7 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.957 -0.163 19210 1125 1 7 . 1 1 11 11 ASN H H 11 7.260 7.260 7.443 -0.183 19210 1126 1 7 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.508 0.196 19210 1127 1 7 . 1 1 13 13 CYS N N 13 117.315 117.315 116.207 1.108 19210 1128 1 7 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.226 0.422 19210 1129 1 7 . 1 1 13 13 CYS H H 13 8.931 8.931 8.191 0.740 19210 1130 1 7 . 1 1 14 14 CYS N N 14 111.828 111.828 115.160 -3.332 19210 1131 1 7 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.965 0.091 19210 1132 1 7 . 1 1 14 14 CYS H H 14 7.543 7.543 7.468 0.075 19210 1133 1 7 . 1 1 15 15 ASP N N 15 120.797 120.797 121.724 -0.927 19210 1134 1 7 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.576 -0.006 19210 1135 1 7 . 1 1 15 15 ASP H H 15 8.212 8.212 8.308 -0.096 19210 1136 1 7 . 1 1 16 16 ALA N N 16 130.631 130.631 129.578 1.053 19210 1137 1 7 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.034 0.114 19210 1138 1 7 . 1 1 16 16 ALA H H 16 8.996 8.996 8.686 0.310 19210 1139 1 7 . 1 1 17 17 ALA N N 17 104.931 104.931 121.812 -16.881 19210 1140 1 7 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.112 0.249 19210 1141 1 7 . 1 1 17 17 ALA H H 17 8.669 8.669 8.373 0.296 19210 1142 1 7 . 1 1 18 18 THR N N 18 104.831 104.831 109.790 -4.959 19210 1143 1 7 . 1 1 18 18 THR HA H 18 4.445 4.445 4.228 0.217 19210 1144 1 7 . 1 1 18 18 THR H H 18 7.743 7.743 8.073 -0.330 19210 1145 1 7 . 1 1 19 19 CYS N N 19 118.516 118.516 115.081 3.435 19210 1146 1 7 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.180 0.462 19210 1147 1 7 . 1 1 19 19 CYS H H 19 8.601 8.601 8.048 0.553 19210 1148 1 7 . 1 1 20 20 LYS N N 20 117.755 117.755 120.948 -3.193 19210 1149 1 7 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.646 0.299 19210 1150 1 7 . 1 1 20 20 LYS H H 20 7.964 7.964 7.474 0.490 19210 1151 1 7 . 1 1 21 21 LEU N N 21 119.922 119.922 117.893 2.029 19210 1152 1 7 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.666 -0.381 19210 1153 1 7 . 1 1 21 21 LEU H H 21 9.211 9.211 8.277 0.934 19210 1154 1 7 . 1 1 22 22 ARG N N 22 121.994 121.994 126.112 -4.118 19210 1155 1 7 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.425 0.023 19210 1156 1 7 . 1 1 22 22 ARG H H 22 8.490 8.490 8.007 0.483 19210 1157 1 7 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.462 -0.073 19210 1158 1 7 . 1 1 24 24 GLY N N 24 113.118 113.118 107.179 5.939 19210 1159 1 7 . 1 1 24 24 GLY H H 24 8.830 8.830 8.422 0.408 19210 1160 1 7 . 1 1 25 25 ALA N N 25 122.763 122.763 123.287 -0.524 19210 1161 1 7 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.440 0.100 19210 1162 1 7 . 1 1 25 25 ALA H H 25 7.942 7.942 7.882 0.060 19210 1163 1 7 . 1 1 26 26 GLN N N 26 117.396 117.396 118.673 -1.277 19210 1164 1 7 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.079 0.034 19210 1165 1 7 . 1 1 26 26 GLN H H 26 8.827 8.827 8.514 0.313 19210 1166 1 7 . 1 1 27 27 CYS N N 27 112.799 112.799 115.086 -2.287 19210 1167 1 7 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.660 -0.105 19210 1168 1 7 . 1 1 27 27 CYS H H 27 7.805 7.805 7.913 -0.108 19210 1169 1 7 . 1 1 28 28 GLY N N 28 104.351 104.351 109.116 -4.765 19210 1170 1 7 . 1 1 28 28 GLY H H 28 9.163 9.163 8.723 0.440 19210 1171 1 7 . 1 1 29 29 GLU N N 29 117.534 117.534 117.327 0.207 19210 1172 1 7 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.485 0.297 19210 1173 1 7 . 1 1 29 29 GLU H H 29 7.844 7.844 7.635 0.209 19210 1174 1 7 . 1 1 30 30 GLY N N 30 107.933 107.933 107.338 0.595 19210 1175 1 7 . 1 1 30 30 GLY H H 30 8.391 8.391 7.995 0.396 19210 1176 1 7 . 1 1 31 31 LEU N N 31 120.439 120.439 121.225 -0.786 19210 1177 1 7 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.225 0.129 19210 1178 1 7 . 1 1 31 31 LEU H H 31 8.960 8.960 8.279 0.681 19210 1179 1 7 . 1 1 32 32 CYS N N 32 114.457 114.457 118.975 -4.518 19210 1180 1 7 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.653 0.455 19210 1181 1 7 . 1 1 32 32 CYS H H 32 8.467 8.467 7.883 0.584 19210 1182 1 7 . 1 1 33 33 CYS N N 33 120.753 120.753 121.095 -0.342 19210 1183 1 7 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.490 -0.199 19210 1184 1 7 . 1 1 33 33 CYS H H 33 7.365 7.365 7.954 -0.589 19210 1185 1 7 . 1 1 34 34 GLU N N 34 128.062 128.062 124.738 3.324 19210 1186 1 7 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.432 0.250 19210 1187 1 7 . 1 1 34 34 GLU H H 34 9.742 9.742 8.430 1.312 19210 1188 1 7 . 1 1 35 35 GLN N N 35 124.793 124.793 123.072 1.721 19210 1189 1 7 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.944 0.055 19210 1190 1 7 . 1 1 35 35 GLN H H 35 9.453 9.453 9.079 0.374 19210 1191 1 7 . 1 1 36 36 CYS N N 36 104.799 104.799 113.457 -8.658 19210 1192 1 7 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.106 0.695 19210 1193 1 7 . 1 1 36 36 CYS H H 36 8.492 8.492 8.345 0.147 19210 1194 1 7 . 1 1 37 37 LYS N N 37 120.580 120.580 118.405 2.175 19210 1195 1 7 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.459 0.244 19210 1196 1 7 . 1 1 37 37 LYS H H 37 8.024 8.024 7.255 0.769 19210 1197 1 7 . 1 1 38 38 PHE N N 38 119.267 119.267 120.426 -1.159 19210 1198 1 7 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.933 0.208 19210 1199 1 7 . 1 1 38 38 PHE H H 38 8.276 8.276 8.376 -0.100 19210 1200 1 7 . 1 1 39 39 SER N N 39 120.055 120.055 120.818 -0.763 19210 1201 1 7 . 1 1 39 39 SER HA H 39 4.274 4.274 4.364 -0.090 19210 1202 1 7 . 1 1 39 39 SER H H 39 9.044 9.044 8.758 0.286 19210 1203 1 7 . 1 1 40 40 ARG N N 40 121.118 121.118 120.027 1.091 19210 1204 1 7 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.470 -0.369 19210 1205 1 7 . 1 1 40 40 ARG H H 40 8.573 8.573 8.357 0.216 19210 1206 1 7 . 1 1 41 41 ALA N N 41 123.139 123.139 121.922 1.217 19210 1207 1 7 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.375 -0.651 19210 1208 1 7 . 1 1 41 41 ALA H H 41 8.501 8.501 8.292 0.209 19210 1209 1 7 . 1 1 42 42 GLY N N 42 109.789 109.789 108.089 1.700 19210 1210 1 7 . 1 1 42 42 GLY H H 42 8.619 8.619 8.873 -0.254 19210 1211 1 7 . 1 1 43 43 LYS N N 43 122.160 122.160 120.921 1.239 19210 1212 1 7 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.443 -0.294 19210 1213 1 7 . 1 1 43 43 LYS H H 43 7.535 7.535 7.292 0.243 19210 1214 1 7 . 1 1 44 44 ILE N N 44 128.214 128.214 129.655 -1.441 19210 1215 1 7 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.292 -0.174 19210 1216 1 7 . 1 1 44 44 ILE H H 44 8.902 8.902 8.692 0.210 19210 1217 1 7 . 1 1 45 45 CYS N N 45 123.076 123.076 124.174 -1.098 19210 1218 1 7 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.346 0.845 19210 1219 1 7 . 1 1 45 45 CYS H H 45 9.417 9.417 8.433 0.984 19210 1220 1 7 . 1 1 46 46 ARG N N 46 122.593 122.593 120.257 2.336 19210 1221 1 7 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.480 -0.005 19210 1222 1 7 . 1 1 46 46 ARG H H 46 7.611 7.611 7.518 0.093 19210 1223 1 7 . 1 1 47 47 ILE N N 47 126.701 126.701 122.928 3.773 19210 1224 1 7 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.079 0.209 19210 1225 1 7 . 1 1 47 47 ILE H H 47 8.517 8.517 8.409 0.108 19210 1226 1 7 . 1 1 48 48 ALA N N 48 130.503 130.503 130.927 -0.424 19210 1227 1 7 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.538 -0.215 19210 1228 1 7 . 1 1 48 48 ALA H H 48 9.374 9.374 8.253 1.121 19210 1229 1 7 . 1 1 49 49 ARG N N 49 118.315 118.315 124.171 -5.856 19210 1230 1 7 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.639 -0.241 19210 1231 1 7 . 1 1 49 49 ARG H H 49 8.331 8.331 8.847 -0.516 19210 1232 1 7 . 1 1 50 50 GLY N N 50 109.557 109.557 113.319 -3.762 19210 1233 1 7 . 1 1 50 50 GLY H H 50 8.426 8.426 8.439 -0.013 19210 1234 1 7 . 1 1 51 51 ASP N N 51 120.231 120.231 119.063 1.168 19210 1235 1 7 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.460 0.199 19210 1236 1 7 . 1 1 51 51 ASP H H 51 8.610 8.610 6.798 1.812 19210 1237 1 7 . 1 1 52 52 TRP N N 52 118.920 118.920 118.369 0.551 19210 1238 1 7 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.917 -0.121 19210 1239 1 7 . 1 1 52 52 TRP H H 52 7.862 7.862 6.798 1.064 19210 1240 1 7 . 1 1 53 53 ASN N N 53 116.604 116.604 119.896 -3.292 19210 1241 1 7 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.732 0.068 19210 1242 1 7 . 1 1 53 53 ASN H H 53 8.325 8.325 8.514 -0.189 19210 1243 1 7 . 1 1 54 54 ASP N N 54 119.405 119.405 118.634 0.771 19210 1244 1 7 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.574 0.130 19210 1245 1 7 . 1 1 54 54 ASP H H 54 8.186 8.186 8.317 -0.131 19210 1246 1 7 . 1 1 55 55 ASP N N 55 120.911 120.911 120.792 0.119 19210 1247 1 7 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.503 0.548 19210 1248 1 7 . 1 1 55 55 ASP H H 55 8.640 8.640 8.134 0.506 19210 1249 1 7 . 1 1 56 56 ARG N N 56 119.204 119.204 123.089 -3.885 19210 1250 1 7 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.925 0.416 19210 1251 1 7 . 1 1 56 56 ARG H H 56 8.234 8.234 8.177 0.057 19210 1252 1 7 . 1 1 57 57 CYS N N 57 119.250 119.250 124.210 -4.960 19210 1253 1 7 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.388 0.496 19210 1254 1 7 . 1 1 57 57 CYS H H 57 9.344 9.344 8.891 0.453 19210 1255 1 7 . 1 1 58 58 THR N N 58 112.882 112.882 111.417 1.465 19210 1256 1 7 . 1 1 58 58 THR HA H 58 4.442 4.442 4.186 0.256 19210 1257 1 7 . 1 1 58 58 THR H H 58 10.180 10.180 8.500 1.680 19210 1258 1 7 . 1 1 59 59 GLY N N 59 111.190 111.190 109.229 1.961 19210 1259 1 7 . 1 1 59 59 GLY H H 59 8.546 8.546 8.184 0.362 19210 1260 1 7 . 1 1 60 60 GLN N N 60 114.377 114.377 118.490 -4.113 19210 1261 1 7 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.228 0.070 19210 1262 1 7 . 1 1 60 60 GLN H H 60 7.986 7.986 7.667 0.319 19210 1263 1 7 . 1 1 61 61 SER N N 61 110.403 110.403 115.601 -5.198 19210 1264 1 7 . 1 1 61 61 SER HA H 61 3.880 3.880 4.061 -0.181 19210 1265 1 7 . 1 1 61 61 SER H H 61 6.630 6.630 7.329 -0.699 19210 1266 1 7 . 1 1 62 62 ALA N N 62 125.118 125.118 126.013 -0.895 19210 1267 1 7 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.679 -0.244 19210 1268 1 7 . 1 1 62 62 ALA H H 62 9.027 9.027 8.437 0.590 19210 1269 1 7 . 1 1 63 63 ASP N N 63 116.936 116.936 119.745 -2.809 19210 1270 1 7 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.748 0.147 19210 1271 1 7 . 1 1 63 63 ASP H H 63 8.080 8.080 8.097 -0.017 19210 1272 1 7 . 1 1 64 64 CYS N N 64 121.286 121.286 126.011 -4.725 19210 1273 1 7 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.528 0.875 19210 1274 1 7 . 1 1 64 64 CYS H H 64 8.924 8.924 8.424 0.500 19210 1275 1 7 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.539 -0.164 19210 1276 1 7 . 1 1 66 66 ARG N N 66 118.950 118.950 116.934 2.016 19210 1277 1 7 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.556 -0.194 19210 1278 1 7 . 1 1 66 66 ARG H H 66 8.203 8.203 8.022 0.181 19210 1279 1 7 . 1 1 67 67 TYR N N 67 123.890 123.890 116.463 7.427 19210 1280 1 7 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.618 -0.159 19210 1281 1 7 . 1 1 67 67 TYR H H 67 8.650 8.650 8.359 0.291 19210 1282 1 8 . 1 1 2 2 LYS N N 2 120.685 120.685 123.943 -3.258 19210 1283 1 8 . 1 1 2 2 LYS H H 2 8.331 8.331 8.524 -0.193 19210 1284 1 8 . 1 1 3 3 GLU N N 3 120.726 120.726 120.560 0.166 19210 1285 1 8 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.523 -0.201 19210 1286 1 8 . 1 1 3 3 GLU H H 3 8.659 8.659 8.587 0.072 19210 1287 1 8 . 1 1 4 4 CYS N N 4 119.143 119.143 119.232 -0.089 19210 1288 1 8 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.873 0.102 19210 1289 1 8 . 1 1 4 4 CYS H H 4 8.116 8.116 8.109 0.007 19210 1290 1 8 . 1 1 5 5 ASP N N 5 119.126 119.126 126.204 -7.078 19210 1291 1 8 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.743 0.074 19210 1292 1 8 . 1 1 5 5 ASP H H 5 8.776 8.776 9.198 -0.422 19210 1293 1 8 . 1 1 6 6 CYS N N 6 112.124 112.124 115.883 -3.759 19210 1294 1 8 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.797 0.134 19210 1295 1 8 . 1 1 6 6 CYS H H 6 6.975 6.975 7.424 -0.449 19210 1296 1 8 . 1 1 7 7 SER N N 7 118.845 118.845 116.635 2.210 19210 1297 1 8 . 1 1 7 7 SER HA H 7 4.226 4.226 4.458 -0.232 19210 1298 1 8 . 1 1 7 7 SER H H 7 9.659 9.659 8.574 1.085 19210 1299 1 8 . 1 1 8 8 SER N N 8 115.212 115.212 118.372 -3.160 19210 1300 1 8 . 1 1 8 8 SER HA H 8 5.137 5.137 4.806 0.331 19210 1301 1 8 . 1 1 8 8 SER H H 8 7.862 7.862 7.838 0.024 19210 1302 1 8 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.539 0.020 19210 1303 1 8 . 1 1 10 10 GLU N N 10 116.255 116.255 117.045 -0.790 19210 1304 1 8 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.406 -0.112 19210 1305 1 8 . 1 1 10 10 GLU H H 10 8.244 8.244 8.105 0.139 19210 1306 1 8 . 1 1 11 11 ASN N N 11 120.176 120.176 120.228 -0.052 19210 1307 1 8 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.838 -0.044 19210 1308 1 8 . 1 1 11 11 ASN H H 11 7.260 7.260 7.494 -0.234 19210 1309 1 8 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.496 0.208 19210 1310 1 8 . 1 1 13 13 CYS N N 13 117.315 117.315 116.045 1.270 19210 1311 1 8 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.586 0.062 19210 1312 1 8 . 1 1 13 13 CYS H H 13 8.931 8.931 8.716 0.215 19210 1313 1 8 . 1 1 14 14 CYS N N 14 111.828 111.828 118.719 -6.891 19210 1314 1 8 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.662 0.394 19210 1315 1 8 . 1 1 14 14 CYS H H 14 7.543 7.543 7.339 0.204 19210 1316 1 8 . 1 1 15 15 ASP N N 15 120.797 120.797 124.771 -3.974 19210 1317 1 8 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.520 0.050 19210 1318 1 8 . 1 1 15 15 ASP H H 15 8.212 8.212 8.760 -0.548 19210 1319 1 8 . 1 1 16 16 ALA N N 16 130.631 130.631 129.528 1.103 19210 1320 1 8 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.086 0.062 19210 1321 1 8 . 1 1 16 16 ALA H H 16 8.996 8.996 8.569 0.427 19210 1322 1 8 . 1 1 17 17 ALA N N 17 104.931 104.931 122.739 -17.808 19210 1323 1 8 . 1 1 17 17 ALA HA H 17 4.361 4.361 3.993 0.368 19210 1324 1 8 . 1 1 17 17 ALA H H 17 8.669 8.669 8.433 0.236 19210 1325 1 8 . 1 1 18 18 THR N N 18 104.831 104.831 109.426 -4.595 19210 1326 1 8 . 1 1 18 18 THR HA H 18 4.445 4.445 4.192 0.253 19210 1327 1 8 . 1 1 18 18 THR H H 18 7.743 7.743 7.788 -0.045 19210 1328 1 8 . 1 1 19 19 CYS N N 19 118.516 118.516 120.033 -1.517 19210 1329 1 8 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.161 0.481 19210 1330 1 8 . 1 1 19 19 CYS H H 19 8.601 8.601 8.003 0.598 19210 1331 1 8 . 1 1 20 20 LYS N N 20 117.755 117.755 117.246 0.509 19210 1332 1 8 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.702 0.243 19210 1333 1 8 . 1 1 20 20 LYS H H 20 7.964 7.964 7.603 0.361 19210 1334 1 8 . 1 1 21 21 LEU N N 21 119.922 119.922 120.999 -1.077 19210 1335 1 8 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.401 -0.116 19210 1336 1 8 . 1 1 21 21 LEU H H 21 9.211 9.211 8.673 0.538 19210 1337 1 8 . 1 1 22 22 ARG N N 22 121.994 121.994 126.232 -4.238 19210 1338 1 8 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.309 0.139 19210 1339 1 8 . 1 1 22 22 ARG H H 22 8.490 8.490 7.890 0.600 19210 1340 1 8 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.492 -0.103 19210 1341 1 8 . 1 1 24 24 GLY N N 24 113.118 113.118 106.294 6.824 19210 1342 1 8 . 1 1 24 24 GLY H H 24 8.830 8.830 8.238 0.592 19210 1343 1 8 . 1 1 25 25 ALA N N 25 122.763 122.763 121.737 1.026 19210 1344 1 8 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.283 0.257 19210 1345 1 8 . 1 1 25 25 ALA H H 25 7.942 7.942 7.227 0.715 19210 1346 1 8 . 1 1 26 26 GLN N N 26 117.396 117.396 120.723 -3.327 19210 1347 1 8 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.144 -0.031 19210 1348 1 8 . 1 1 26 26 GLN H H 26 8.827 8.827 8.574 0.253 19210 1349 1 8 . 1 1 27 27 CYS N N 27 112.799 112.799 116.574 -3.775 19210 1350 1 8 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.871 -0.316 19210 1351 1 8 . 1 1 27 27 CYS H H 27 7.805 7.805 7.166 0.639 19210 1352 1 8 . 1 1 28 28 GLY N N 28 104.351 104.351 109.126 -4.775 19210 1353 1 8 . 1 1 28 28 GLY H H 28 9.163 9.163 8.635 0.528 19210 1354 1 8 . 1 1 29 29 GLU N N 29 117.534 117.534 117.189 0.345 19210 1355 1 8 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.390 0.392 19210 1356 1 8 . 1 1 29 29 GLU H H 29 7.844 7.844 7.533 0.311 19210 1357 1 8 . 1 1 30 30 GLY N N 30 107.933 107.933 107.484 0.449 19210 1358 1 8 . 1 1 30 30 GLY H H 30 8.391 8.391 7.929 0.462 19210 1359 1 8 . 1 1 31 31 LEU N N 31 120.439 120.439 121.149 -0.710 19210 1360 1 8 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.396 -0.042 19210 1361 1 8 . 1 1 31 31 LEU H H 31 8.960 8.960 8.160 0.800 19210 1362 1 8 . 1 1 32 32 CYS N N 32 114.457 114.457 119.296 -4.839 19210 1363 1 8 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.620 0.488 19210 1364 1 8 . 1 1 32 32 CYS H H 32 8.467 8.467 7.891 0.576 19210 1365 1 8 . 1 1 33 33 CYS N N 33 120.753 120.753 120.850 -0.097 19210 1366 1 8 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.403 -0.112 19210 1367 1 8 . 1 1 33 33 CYS H H 33 7.365 7.365 7.772 -0.407 19210 1368 1 8 . 1 1 34 34 GLU N N 34 128.062 128.062 126.554 1.508 19210 1369 1 8 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.265 0.417 19210 1370 1 8 . 1 1 34 34 GLU H H 34 9.742 9.742 8.142 1.600 19210 1371 1 8 . 1 1 35 35 GLN N N 35 124.793 124.793 123.760 1.033 19210 1372 1 8 . 1 1 35 35 GLN HA H 35 3.999 3.999 4.065 -0.066 19210 1373 1 8 . 1 1 35 35 GLN H H 35 9.453 9.453 8.731 0.722 19210 1374 1 8 . 1 1 36 36 CYS N N 36 104.799 104.799 114.826 -10.027 19210 1375 1 8 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.126 0.675 19210 1376 1 8 . 1 1 36 36 CYS H H 36 8.492 8.492 8.227 0.265 19210 1377 1 8 . 1 1 37 37 LYS N N 37 120.580 120.580 116.994 3.586 19210 1378 1 8 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.391 0.312 19210 1379 1 8 . 1 1 37 37 LYS H H 37 8.024 8.024 7.521 0.503 19210 1380 1 8 . 1 1 38 38 PHE N N 38 119.267 119.267 119.902 -0.635 19210 1381 1 8 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.672 0.469 19210 1382 1 8 . 1 1 38 38 PHE H H 38 8.276 8.276 8.655 -0.379 19210 1383 1 8 . 1 1 39 39 SER N N 39 120.055 120.055 121.469 -1.414 19210 1384 1 8 . 1 1 39 39 SER HA H 39 4.274 4.274 4.355 -0.081 19210 1385 1 8 . 1 1 39 39 SER H H 39 9.044 9.044 8.854 0.190 19210 1386 1 8 . 1 1 40 40 ARG N N 40 121.118 121.118 119.250 1.868 19210 1387 1 8 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.418 -0.317 19210 1388 1 8 . 1 1 40 40 ARG H H 40 8.573 8.573 8.314 0.259 19210 1389 1 8 . 1 1 41 41 ALA N N 41 123.139 123.139 121.845 1.294 19210 1390 1 8 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.399 -0.675 19210 1391 1 8 . 1 1 41 41 ALA H H 41 8.501 8.501 8.299 0.202 19210 1392 1 8 . 1 1 42 42 GLY N N 42 109.789 109.789 108.324 1.465 19210 1393 1 8 . 1 1 42 42 GLY H H 42 8.619 8.619 8.839 -0.220 19210 1394 1 8 . 1 1 43 43 LYS N N 43 122.160 122.160 120.839 1.321 19210 1395 1 8 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.623 -0.474 19210 1396 1 8 . 1 1 43 43 LYS H H 43 7.535 7.535 7.316 0.219 19210 1397 1 8 . 1 1 44 44 ILE N N 44 128.214 128.214 128.646 -0.432 19210 1398 1 8 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.263 -0.145 19210 1399 1 8 . 1 1 44 44 ILE H H 44 8.902 8.902 8.762 0.140 19210 1400 1 8 . 1 1 45 45 CYS N N 45 123.076 123.076 124.530 -1.454 19210 1401 1 8 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.564 0.627 19210 1402 1 8 . 1 1 45 45 CYS H H 45 9.417 9.417 8.673 0.744 19210 1403 1 8 . 1 1 46 46 ARG N N 46 122.593 122.593 117.980 4.613 19210 1404 1 8 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.531 -0.056 19210 1405 1 8 . 1 1 46 46 ARG H H 46 7.611 7.611 7.392 0.219 19210 1406 1 8 . 1 1 47 47 ILE N N 47 126.701 126.701 119.194 7.507 19210 1407 1 8 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.492 -0.204 19210 1408 1 8 . 1 1 47 47 ILE H H 47 8.517 8.517 8.406 0.111 19210 1409 1 8 . 1 1 48 48 ALA N N 48 130.503 130.503 130.730 -0.227 19210 1410 1 8 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.627 -0.304 19210 1411 1 8 . 1 1 48 48 ALA H H 48 9.374 9.374 8.348 1.026 19210 1412 1 8 . 1 1 49 49 ARG N N 49 118.315 118.315 124.938 -6.623 19210 1413 1 8 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.612 -0.214 19210 1414 1 8 . 1 1 49 49 ARG H H 49 8.331 8.331 8.873 -0.542 19210 1415 1 8 . 1 1 50 50 GLY N N 50 109.557 109.557 113.247 -3.690 19210 1416 1 8 . 1 1 50 50 GLY H H 50 8.426 8.426 8.491 -0.065 19210 1417 1 8 . 1 1 51 51 ASP N N 51 120.231 120.231 119.832 0.399 19210 1418 1 8 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.637 0.022 19210 1419 1 8 . 1 1 51 51 ASP H H 51 8.610 8.610 6.907 1.703 19210 1420 1 8 . 1 1 52 52 TRP N N 52 118.920 118.920 119.545 -0.625 19210 1421 1 8 . 1 1 52 52 TRP HA H 52 4.796 4.796 5.006 -0.210 19210 1422 1 8 . 1 1 52 52 TRP H H 52 7.862 7.862 6.898 0.964 19210 1423 1 8 . 1 1 53 53 ASN N N 53 116.604 116.604 119.777 -3.173 19210 1424 1 8 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.864 -0.064 19210 1425 1 8 . 1 1 53 53 ASN H H 53 8.325 8.325 8.490 -0.165 19210 1426 1 8 . 1 1 54 54 ASP N N 54 119.405 119.405 119.202 0.203 19210 1427 1 8 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.683 0.021 19210 1428 1 8 . 1 1 54 54 ASP H H 54 8.186 8.186 8.480 -0.294 19210 1429 1 8 . 1 1 55 55 ASP N N 55 120.911 120.911 121.234 -0.323 19210 1430 1 8 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.972 0.079 19210 1431 1 8 . 1 1 55 55 ASP H H 55 8.640 8.640 8.326 0.314 19210 1432 1 8 . 1 1 56 56 ARG N N 56 119.204 119.204 122.900 -3.696 19210 1433 1 8 . 1 1 56 56 ARG HA H 56 5.341 5.341 5.116 0.225 19210 1434 1 8 . 1 1 56 56 ARG H H 56 8.234 8.234 8.583 -0.349 19210 1435 1 8 . 1 1 57 57 CYS N N 57 119.250 119.250 122.836 -3.586 19210 1436 1 8 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.369 0.515 19210 1437 1 8 . 1 1 57 57 CYS H H 57 9.344 9.344 8.900 0.444 19210 1438 1 8 . 1 1 58 58 THR N N 58 112.882 112.882 113.987 -1.105 19210 1439 1 8 . 1 1 58 58 THR HA H 58 4.442 4.442 4.216 0.226 19210 1440 1 8 . 1 1 58 58 THR H H 58 10.180 10.180 8.604 1.576 19210 1441 1 8 . 1 1 59 59 GLY N N 59 111.190 111.190 109.225 1.965 19210 1442 1 8 . 1 1 59 59 GLY H H 59 8.546 8.546 8.012 0.534 19210 1443 1 8 . 1 1 60 60 GLN N N 60 114.377 114.377 117.249 -2.872 19210 1444 1 8 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.750 0.548 19210 1445 1 8 . 1 1 60 60 GLN H H 60 7.986 7.986 8.145 -0.159 19210 1446 1 8 . 1 1 61 61 SER N N 61 110.403 110.403 115.674 -5.271 19210 1447 1 8 . 1 1 61 61 SER HA H 61 3.880 3.880 4.710 -0.830 19210 1448 1 8 . 1 1 61 61 SER H H 61 6.630 6.630 7.724 -1.094 19210 1449 1 8 . 1 1 62 62 ALA N N 62 125.118 125.118 125.475 -0.357 19210 1450 1 8 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.524 -0.089 19210 1451 1 8 . 1 1 62 62 ALA H H 62 9.027 9.027 8.752 0.275 19210 1452 1 8 . 1 1 63 63 ASP N N 63 116.936 116.936 118.402 -1.466 19210 1453 1 8 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.665 0.230 19210 1454 1 8 . 1 1 63 63 ASP H H 63 8.080 8.080 8.091 -0.011 19210 1455 1 8 . 1 1 64 64 CYS N N 64 121.286 121.286 125.088 -3.802 19210 1456 1 8 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.346 1.057 19210 1457 1 8 . 1 1 64 64 CYS H H 64 8.924 8.924 8.165 0.759 19210 1458 1 8 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.479 -0.104 19210 1459 1 8 . 1 1 66 66 ARG N N 66 118.950 118.950 116.461 2.489 19210 1460 1 8 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.215 0.147 19210 1461 1 8 . 1 1 66 66 ARG H H 66 8.203 8.203 8.079 0.124 19210 1462 1 8 . 1 1 67 67 TYR N N 67 123.890 123.890 118.678 5.212 19210 1463 1 8 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.644 -0.185 19210 1464 1 8 . 1 1 67 67 TYR H H 67 8.650 8.650 8.304 0.346 19210 1465 1 9 . 1 1 2 2 LYS N N 2 120.685 120.685 122.554 -1.869 19210 1466 1 9 . 1 1 2 2 LYS H H 2 8.331 8.331 8.241 0.090 19210 1467 1 9 . 1 1 3 3 GLU N N 3 120.726 120.726 116.315 4.411 19210 1468 1 9 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.500 -0.178 19210 1469 1 9 . 1 1 3 3 GLU H H 3 8.659 8.659 8.535 0.124 19210 1470 1 9 . 1 1 4 4 CYS N N 4 119.143 119.143 120.339 -1.196 19210 1471 1 9 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.757 0.218 19210 1472 1 9 . 1 1 4 4 CYS H H 4 8.116 8.116 8.360 -0.244 19210 1473 1 9 . 1 1 5 5 ASP N N 5 119.126 119.126 123.598 -4.472 19210 1474 1 9 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.627 0.190 19210 1475 1 9 . 1 1 5 5 ASP H H 5 8.776 8.776 8.893 -0.117 19210 1476 1 9 . 1 1 6 6 CYS N N 6 112.124 112.124 113.949 -1.825 19210 1477 1 9 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.814 0.117 19210 1478 1 9 . 1 1 6 6 CYS H H 6 6.975 6.975 7.588 -0.613 19210 1479 1 9 . 1 1 7 7 SER N N 7 118.845 118.845 117.310 1.535 19210 1480 1 9 . 1 1 7 7 SER HA H 7 4.226 4.226 4.520 -0.294 19210 1481 1 9 . 1 1 7 7 SER H H 7 9.659 9.659 8.886 0.773 19210 1482 1 9 . 1 1 8 8 SER N N 8 115.212 115.212 117.741 -2.529 19210 1483 1 9 . 1 1 8 8 SER HA H 8 5.137 5.137 4.864 0.273 19210 1484 1 9 . 1 1 8 8 SER H H 8 7.862 7.862 7.759 0.103 19210 1485 1 9 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.474 0.085 19210 1486 1 9 . 1 1 10 10 GLU N N 10 116.255 116.255 117.084 -0.829 19210 1487 1 9 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.305 -0.011 19210 1488 1 9 . 1 1 10 10 GLU H H 10 8.244 8.244 8.246 -0.002 19210 1489 1 9 . 1 1 11 11 ASN N N 11 120.176 120.176 119.809 0.367 19210 1490 1 9 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.776 0.018 19210 1491 1 9 . 1 1 11 11 ASN H H 11 7.260 7.260 7.459 -0.199 19210 1492 1 9 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.442 0.262 19210 1493 1 9 . 1 1 13 13 CYS N N 13 117.315 117.315 117.036 0.279 19210 1494 1 9 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.291 0.357 19210 1495 1 9 . 1 1 13 13 CYS H H 13 8.931 8.931 8.218 0.713 19210 1496 1 9 . 1 1 14 14 CYS N N 14 111.828 111.828 116.048 -4.220 19210 1497 1 9 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.845 0.211 19210 1498 1 9 . 1 1 14 14 CYS H H 14 7.543 7.543 7.309 0.234 19210 1499 1 9 . 1 1 15 15 ASP N N 15 120.797 120.797 123.765 -2.968 19210 1500 1 9 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.553 0.017 19210 1501 1 9 . 1 1 15 15 ASP H H 15 8.212 8.212 8.833 -0.621 19210 1502 1 9 . 1 1 16 16 ALA N N 16 130.631 130.631 129.695 0.936 19210 1503 1 9 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.049 0.099 19210 1504 1 9 . 1 1 16 16 ALA H H 16 8.996 8.996 8.582 0.414 19210 1505 1 9 . 1 1 17 17 ALA N N 17 104.931 104.931 121.787 -16.856 19210 1506 1 9 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.120 0.241 19210 1507 1 9 . 1 1 17 17 ALA H H 17 8.669 8.669 8.100 0.569 19210 1508 1 9 . 1 1 18 18 THR N N 18 104.831 104.831 109.265 -4.434 19210 1509 1 9 . 1 1 18 18 THR HA H 18 4.445 4.445 4.597 -0.152 19210 1510 1 9 . 1 1 18 18 THR H H 18 7.743 7.743 7.882 -0.139 19210 1511 1 9 . 1 1 19 19 CYS N N 19 118.516 118.516 115.540 2.976 19210 1512 1 9 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.180 0.462 19210 1513 1 9 . 1 1 19 19 CYS H H 19 8.601 8.601 7.616 0.985 19210 1514 1 9 . 1 1 20 20 LYS N N 20 117.755 117.755 117.789 -0.034 19210 1515 1 9 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.658 0.287 19210 1516 1 9 . 1 1 20 20 LYS H H 20 7.964 7.964 7.271 0.693 19210 1517 1 9 . 1 1 21 21 LEU N N 21 119.922 119.922 122.406 -2.484 19210 1518 1 9 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.430 -0.145 19210 1519 1 9 . 1 1 21 21 LEU H H 21 9.211 9.211 8.728 0.483 19210 1520 1 9 . 1 1 22 22 ARG N N 22 121.994 121.994 126.122 -4.128 19210 1521 1 9 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.389 0.059 19210 1522 1 9 . 1 1 22 22 ARG H H 22 8.490 8.490 8.074 0.416 19210 1523 1 9 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.540 -0.151 19210 1524 1 9 . 1 1 24 24 GLY N N 24 113.118 113.118 106.254 6.864 19210 1525 1 9 . 1 1 24 24 GLY H H 24 8.830 8.830 8.240 0.590 19210 1526 1 9 . 1 1 25 25 ALA N N 25 122.763 122.763 121.285 1.478 19210 1527 1 9 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.119 0.421 19210 1528 1 9 . 1 1 25 25 ALA H H 25 7.942 7.942 7.503 0.439 19210 1529 1 9 . 1 1 26 26 GLN N N 26 117.396 117.396 120.937 -3.541 19210 1530 1 9 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.909 0.204 19210 1531 1 9 . 1 1 26 26 GLN H H 26 8.827 8.827 8.476 0.351 19210 1532 1 9 . 1 1 27 27 CYS N N 27 112.799 112.799 115.810 -3.011 19210 1533 1 9 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.863 -0.308 19210 1534 1 9 . 1 1 27 27 CYS H H 27 7.805 7.805 7.754 0.051 19210 1535 1 9 . 1 1 28 28 GLY N N 28 104.351 104.351 109.196 -4.845 19210 1536 1 9 . 1 1 28 28 GLY H H 28 9.163 9.163 8.934 0.229 19210 1537 1 9 . 1 1 29 29 GLU N N 29 117.534 117.534 118.335 -0.801 19210 1538 1 9 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.557 0.225 19210 1539 1 9 . 1 1 29 29 GLU H H 29 7.844 7.844 7.623 0.221 19210 1540 1 9 . 1 1 30 30 GLY N N 30 107.933 107.933 108.031 -0.098 19210 1541 1 9 . 1 1 30 30 GLY H H 30 8.391 8.391 8.066 0.325 19210 1542 1 9 . 1 1 31 31 LEU N N 31 120.439 120.439 121.112 -0.673 19210 1543 1 9 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.238 0.116 19210 1544 1 9 . 1 1 31 31 LEU H H 31 8.960 8.960 8.366 0.594 19210 1545 1 9 . 1 1 32 32 CYS N N 32 114.457 114.457 119.329 -4.872 19210 1546 1 9 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.577 0.531 19210 1547 1 9 . 1 1 32 32 CYS H H 32 8.467 8.467 8.026 0.441 19210 1548 1 9 . 1 1 33 33 CYS N N 33 120.753 120.753 120.465 0.288 19210 1549 1 9 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.360 -0.069 19210 1550 1 9 . 1 1 33 33 CYS H H 33 7.365 7.365 7.689 -0.324 19210 1551 1 9 . 1 1 34 34 GLU N N 34 128.062 128.062 123.414 4.648 19210 1552 1 9 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.507 0.175 19210 1553 1 9 . 1 1 34 34 GLU H H 34 9.742 9.742 8.328 1.414 19210 1554 1 9 . 1 1 35 35 GLN N N 35 124.793 124.793 124.041 0.752 19210 1555 1 9 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.975 0.024 19210 1556 1 9 . 1 1 35 35 GLN H H 35 9.453 9.453 9.262 0.191 19210 1557 1 9 . 1 1 36 36 CYS N N 36 104.799 104.799 113.100 -8.301 19210 1558 1 9 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.167 0.634 19210 1559 1 9 . 1 1 36 36 CYS H H 36 8.492 8.492 8.282 0.210 19210 1560 1 9 . 1 1 37 37 LYS N N 37 120.580 120.580 117.933 2.647 19210 1561 1 9 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.476 0.227 19210 1562 1 9 . 1 1 37 37 LYS H H 37 8.024 8.024 7.604 0.420 19210 1563 1 9 . 1 1 38 38 PHE N N 38 119.267 119.267 120.079 -0.812 19210 1564 1 9 . 1 1 38 38 PHE HA H 38 5.141 5.141 5.270 -0.129 19210 1565 1 9 . 1 1 38 38 PHE H H 38 8.276 8.276 8.304 -0.028 19210 1566 1 9 . 1 1 39 39 SER N N 39 120.055 120.055 119.876 0.179 19210 1567 1 9 . 1 1 39 39 SER HA H 39 4.274 4.274 4.357 -0.083 19210 1568 1 9 . 1 1 39 39 SER H H 39 9.044 9.044 8.254 0.790 19210 1569 1 9 . 1 1 40 40 ARG N N 40 121.118 121.118 118.840 2.278 19210 1570 1 9 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.384 -0.283 19210 1571 1 9 . 1 1 40 40 ARG H H 40 8.573 8.573 8.307 0.266 19210 1572 1 9 . 1 1 41 41 ALA N N 41 123.139 123.139 121.542 1.597 19210 1573 1 9 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.568 -0.844 19210 1574 1 9 . 1 1 41 41 ALA H H 41 8.501 8.501 8.050 0.451 19210 1575 1 9 . 1 1 42 42 GLY N N 42 109.789 109.789 108.594 1.195 19210 1576 1 9 . 1 1 42 42 GLY H H 42 8.619 8.619 8.994 -0.375 19210 1577 1 9 . 1 1 43 43 LYS N N 43 122.160 122.160 120.306 1.854 19210 1578 1 9 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.622 -0.473 19210 1579 1 9 . 1 1 43 43 LYS H H 43 7.535 7.535 7.323 0.212 19210 1580 1 9 . 1 1 44 44 ILE N N 44 128.214 128.214 128.326 -0.112 19210 1581 1 9 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.429 -0.311 19210 1582 1 9 . 1 1 44 44 ILE H H 44 8.902 8.902 8.778 0.124 19210 1583 1 9 . 1 1 45 45 CYS N N 45 123.076 123.076 123.518 -0.442 19210 1584 1 9 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.595 0.596 19210 1585 1 9 . 1 1 45 45 CYS H H 45 9.417 9.417 8.566 0.851 19210 1586 1 9 . 1 1 46 46 ARG N N 46 122.593 122.593 118.797 3.796 19210 1587 1 9 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.617 -0.142 19210 1588 1 9 . 1 1 46 46 ARG H H 46 7.611 7.611 7.481 0.130 19210 1589 1 9 . 1 1 47 47 ILE N N 47 126.701 126.701 120.397 6.304 19210 1590 1 9 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.316 -0.028 19210 1591 1 9 . 1 1 47 47 ILE H H 47 8.517 8.517 8.393 0.124 19210 1592 1 9 . 1 1 48 48 ALA N N 48 130.503 130.503 129.611 0.892 19210 1593 1 9 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.549 -0.226 19210 1594 1 9 . 1 1 48 48 ALA H H 48 9.374 9.374 8.414 0.960 19210 1595 1 9 . 1 1 49 49 ARG N N 49 118.315 118.315 126.164 -7.849 19210 1596 1 9 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.293 0.105 19210 1597 1 9 . 1 1 49 49 ARG H H 49 8.331 8.331 9.229 -0.898 19210 1598 1 9 . 1 1 50 50 GLY N N 50 109.557 109.557 112.344 -2.787 19210 1599 1 9 . 1 1 50 50 GLY H H 50 8.426 8.426 8.550 -0.124 19210 1600 1 9 . 1 1 51 51 ASP N N 51 120.231 120.231 119.837 0.394 19210 1601 1 9 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.486 0.173 19210 1602 1 9 . 1 1 51 51 ASP H H 51 8.610 8.610 6.334 2.276 19210 1603 1 9 . 1 1 52 52 TRP N N 52 118.920 118.920 118.676 0.244 19210 1604 1 9 . 1 1 52 52 TRP HA H 52 4.796 4.796 5.048 -0.252 19210 1605 1 9 . 1 1 52 52 TRP H H 52 7.862 7.862 7.087 0.775 19210 1606 1 9 . 1 1 53 53 ASN N N 53 116.604 116.604 120.478 -3.874 19210 1607 1 9 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.594 0.206 19210 1608 1 9 . 1 1 53 53 ASN H H 53 8.325 8.325 8.681 -0.356 19210 1609 1 9 . 1 1 54 54 ASP N N 54 119.405 119.405 121.779 -2.374 19210 1610 1 9 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.683 0.021 19210 1611 1 9 . 1 1 54 54 ASP H H 54 8.186 8.186 8.371 -0.185 19210 1612 1 9 . 1 1 55 55 ASP N N 55 120.911 120.911 118.922 1.989 19210 1613 1 9 . 1 1 55 55 ASP HA H 55 5.051 5.051 5.094 -0.043 19210 1614 1 9 . 1 1 55 55 ASP H H 55 8.640 8.640 8.332 0.308 19210 1615 1 9 . 1 1 56 56 ARG N N 56 119.204 119.204 122.278 -3.074 19210 1616 1 9 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.967 0.374 19210 1617 1 9 . 1 1 56 56 ARG H H 56 8.234 8.234 8.749 -0.515 19210 1618 1 9 . 1 1 57 57 CYS N N 57 119.250 119.250 123.323 -4.073 19210 1619 1 9 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.349 0.535 19210 1620 1 9 . 1 1 57 57 CYS H H 57 9.344 9.344 9.088 0.256 19210 1621 1 9 . 1 1 58 58 THR N N 58 112.882 112.882 114.306 -1.424 19210 1622 1 9 . 1 1 58 58 THR HA H 58 4.442 4.442 4.334 0.108 19210 1623 1 9 . 1 1 58 58 THR H H 58 10.180 10.180 8.879 1.301 19210 1624 1 9 . 1 1 59 59 GLY N N 59 111.190 111.190 110.229 0.961 19210 1625 1 9 . 1 1 59 59 GLY H H 59 8.546 8.546 8.165 0.381 19210 1626 1 9 . 1 1 60 60 GLN N N 60 114.377 114.377 113.220 1.157 19210 1627 1 9 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.137 0.161 19210 1628 1 9 . 1 1 60 60 GLN H H 60 7.986 7.986 7.680 0.306 19210 1629 1 9 . 1 1 61 61 SER N N 61 110.403 110.403 118.629 -8.226 19210 1630 1 9 . 1 1 61 61 SER HA H 61 3.880 3.880 4.040 -0.160 19210 1631 1 9 . 1 1 61 61 SER H H 61 6.630 6.630 7.437 -0.807 19210 1632 1 9 . 1 1 62 62 ALA N N 62 125.118 125.118 129.331 -4.213 19210 1633 1 9 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.239 0.196 19210 1634 1 9 . 1 1 62 62 ALA H H 62 9.027 9.027 7.984 1.043 19210 1635 1 9 . 1 1 63 63 ASP N N 63 116.936 116.936 118.182 -1.246 19210 1636 1 9 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.784 0.111 19210 1637 1 9 . 1 1 63 63 ASP H H 63 8.080 8.080 7.966 0.114 19210 1638 1 9 . 1 1 64 64 CYS N N 64 121.286 121.286 123.951 -2.665 19210 1639 1 9 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.405 0.998 19210 1640 1 9 . 1 1 64 64 CYS H H 64 8.924 8.924 8.716 0.208 19210 1641 1 9 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.451 -0.076 19210 1642 1 9 . 1 1 66 66 ARG N N 66 118.950 118.950 119.294 -0.344 19210 1643 1 9 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.261 0.101 19210 1644 1 9 . 1 1 66 66 ARG H H 66 8.203 8.203 7.871 0.332 19210 1645 1 9 . 1 1 67 67 TYR N N 67 123.890 123.890 122.901 0.989 19210 1646 1 9 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.248 0.211 19210 1647 1 9 . 1 1 67 67 TYR H H 67 8.650 8.650 8.019 0.631 19210 1648 1 10 . 1 1 2 2 LYS N N 2 120.685 120.685 122.265 -1.580 19210 1649 1 10 . 1 1 2 2 LYS H H 2 8.331 8.331 8.244 0.087 19210 1650 1 10 . 1 1 3 3 GLU N N 3 120.726 120.726 121.016 -0.290 19210 1651 1 10 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.490 -0.168 19210 1652 1 10 . 1 1 3 3 GLU H H 3 8.659 8.659 8.574 0.085 19210 1653 1 10 . 1 1 4 4 CYS N N 4 119.143 119.143 120.032 -0.889 19210 1654 1 10 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.829 0.146 19210 1655 1 10 . 1 1 4 4 CYS H H 4 8.116 8.116 8.105 0.011 19210 1656 1 10 . 1 1 5 5 ASP N N 5 119.126 119.126 125.639 -6.513 19210 1657 1 10 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.867 -0.050 19210 1658 1 10 . 1 1 5 5 ASP H H 5 8.776 8.776 9.036 -0.260 19210 1659 1 10 . 1 1 6 6 CYS N N 6 112.124 112.124 112.501 -0.377 19210 1660 1 10 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.924 0.007 19210 1661 1 10 . 1 1 6 6 CYS H H 6 6.975 6.975 7.432 -0.457 19210 1662 1 10 . 1 1 7 7 SER N N 7 118.845 118.845 115.524 3.321 19210 1663 1 10 . 1 1 7 7 SER HA H 7 4.226 4.226 4.456 -0.230 19210 1664 1 10 . 1 1 7 7 SER H H 7 9.659 9.659 8.574 1.085 19210 1665 1 10 . 1 1 8 8 SER N N 8 115.212 115.212 117.966 -2.754 19210 1666 1 10 . 1 1 8 8 SER HA H 8 5.137 5.137 4.767 0.370 19210 1667 1 10 . 1 1 8 8 SER H H 8 7.862 7.862 7.830 0.032 19210 1668 1 10 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.607 -0.048 19210 1669 1 10 . 1 1 10 10 GLU N N 10 116.255 116.255 115.605 0.650 19210 1670 1 10 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.429 -0.135 19210 1671 1 10 . 1 1 10 10 GLU H H 10 8.244 8.244 8.223 0.021 19210 1672 1 10 . 1 1 11 11 ASN N N 11 120.176 120.176 120.598 -0.422 19210 1673 1 10 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.916 -0.122 19210 1674 1 10 . 1 1 11 11 ASN H H 11 7.260 7.260 7.615 -0.355 19210 1675 1 10 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.430 0.274 19210 1676 1 10 . 1 1 13 13 CYS N N 13 117.315 117.315 116.488 0.827 19210 1677 1 10 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.392 0.256 19210 1678 1 10 . 1 1 13 13 CYS H H 13 8.931 8.931 8.321 0.610 19210 1679 1 10 . 1 1 14 14 CYS N N 14 111.828 111.828 118.506 -6.678 19210 1680 1 10 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.671 0.385 19210 1681 1 10 . 1 1 14 14 CYS H H 14 7.543 7.543 7.134 0.409 19210 1682 1 10 . 1 1 15 15 ASP N N 15 120.797 120.797 127.175 -6.378 19210 1683 1 10 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.559 0.011 19210 1684 1 10 . 1 1 15 15 ASP H H 15 8.212 8.212 8.967 -0.755 19210 1685 1 10 . 1 1 16 16 ALA N N 16 130.631 130.631 129.425 1.206 19210 1686 1 10 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.046 0.102 19210 1687 1 10 . 1 1 16 16 ALA H H 16 8.996 8.996 8.527 0.469 19210 1688 1 10 . 1 1 17 17 ALA N N 17 104.931 104.931 122.107 -17.176 19210 1689 1 10 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.027 0.334 19210 1690 1 10 . 1 1 17 17 ALA H H 17 8.669 8.669 8.206 0.463 19210 1691 1 10 . 1 1 18 18 THR N N 18 104.831 104.831 107.645 -2.814 19210 1692 1 10 . 1 1 18 18 THR HA H 18 4.445 4.445 4.193 0.252 19210 1693 1 10 . 1 1 18 18 THR H H 18 7.743 7.743 7.961 -0.218 19210 1694 1 10 . 1 1 19 19 CYS N N 19 118.516 118.516 121.115 -2.599 19210 1695 1 10 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.143 0.499 19210 1696 1 10 . 1 1 19 19 CYS H H 19 8.601 8.601 8.121 0.480 19210 1697 1 10 . 1 1 20 20 LYS N N 20 117.755 117.755 117.926 -0.171 19210 1698 1 10 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.757 0.188 19210 1699 1 10 . 1 1 20 20 LYS H H 20 7.964 7.964 7.471 0.493 19210 1700 1 10 . 1 1 21 21 LEU N N 21 119.922 119.922 122.734 -2.812 19210 1701 1 10 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.335 -0.050 19210 1702 1 10 . 1 1 21 21 LEU H H 21 9.211 9.211 8.641 0.570 19210 1703 1 10 . 1 1 22 22 ARG N N 22 121.994 121.994 125.844 -3.850 19210 1704 1 10 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.369 0.079 19210 1705 1 10 . 1 1 22 22 ARG H H 22 8.490 8.490 8.050 0.440 19210 1706 1 10 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.532 -0.143 19210 1707 1 10 . 1 1 24 24 GLY N N 24 113.118 113.118 106.550 6.568 19210 1708 1 10 . 1 1 24 24 GLY H H 24 8.830 8.830 8.370 0.460 19210 1709 1 10 . 1 1 25 25 ALA N N 25 122.763 122.763 121.544 1.219 19210 1710 1 10 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.271 0.269 19210 1711 1 10 . 1 1 25 25 ALA H H 25 7.942 7.942 7.008 0.934 19210 1712 1 10 . 1 1 26 26 GLN N N 26 117.396 117.396 121.196 -3.800 19210 1713 1 10 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.175 -0.062 19210 1714 1 10 . 1 1 26 26 GLN H H 26 8.827 8.827 8.401 0.426 19210 1715 1 10 . 1 1 27 27 CYS N N 27 112.799 112.799 113.561 -0.762 19210 1716 1 10 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.681 -0.126 19210 1717 1 10 . 1 1 27 27 CYS H H 27 7.805 7.805 7.392 0.413 19210 1718 1 10 . 1 1 28 28 GLY N N 28 104.351 104.351 111.041 -6.690 19210 1719 1 10 . 1 1 28 28 GLY H H 28 9.163 9.163 8.825 0.338 19210 1720 1 10 . 1 1 29 29 GLU N N 29 117.534 117.534 118.542 -1.008 19210 1721 1 10 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.569 0.213 19210 1722 1 10 . 1 1 29 29 GLU H H 29 7.844 7.844 7.862 -0.018 19210 1723 1 10 . 1 1 30 30 GLY N N 30 107.933 107.933 108.146 -0.213 19210 1724 1 10 . 1 1 30 30 GLY H H 30 8.391 8.391 8.138 0.253 19210 1725 1 10 . 1 1 31 31 LEU N N 31 120.439 120.439 120.732 -0.293 19210 1726 1 10 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.603 -0.249 19210 1727 1 10 . 1 1 31 31 LEU H H 31 8.960 8.960 8.239 0.721 19210 1728 1 10 . 1 1 32 32 CYS N N 32 114.457 114.457 118.759 -4.302 19210 1729 1 10 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.657 0.451 19210 1730 1 10 . 1 1 32 32 CYS H H 32 8.467 8.467 7.522 0.945 19210 1731 1 10 . 1 1 33 33 CYS N N 33 120.753 120.753 121.767 -1.014 19210 1732 1 10 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.493 -0.202 19210 1733 1 10 . 1 1 33 33 CYS H H 33 7.365 7.365 8.166 -0.801 19210 1734 1 10 . 1 1 34 34 GLU N N 34 128.062 128.062 126.900 1.162 19210 1735 1 10 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.512 0.170 19210 1736 1 10 . 1 1 34 34 GLU H H 34 9.742 9.742 8.290 1.452 19210 1737 1 10 . 1 1 35 35 GLN N N 35 124.793 124.793 122.154 2.639 19210 1738 1 10 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.944 0.055 19210 1739 1 10 . 1 1 35 35 GLN H H 35 9.453 9.453 9.096 0.357 19210 1740 1 10 . 1 1 36 36 CYS N N 36 104.799 104.799 113.515 -8.716 19210 1741 1 10 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.172 0.629 19210 1742 1 10 . 1 1 36 36 CYS H H 36 8.492 8.492 8.457 0.035 19210 1743 1 10 . 1 1 37 37 LYS N N 37 120.580 120.580 117.949 2.631 19210 1744 1 10 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.644 0.059 19210 1745 1 10 . 1 1 37 37 LYS H H 37 8.024 8.024 7.744 0.280 19210 1746 1 10 . 1 1 38 38 PHE N N 38 119.267 119.267 120.660 -1.393 19210 1747 1 10 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.700 0.441 19210 1748 1 10 . 1 1 38 38 PHE H H 38 8.276 8.276 8.572 -0.296 19210 1749 1 10 . 1 1 39 39 SER N N 39 120.055 120.055 122.684 -2.629 19210 1750 1 10 . 1 1 39 39 SER HA H 39 4.274 4.274 4.323 -0.049 19210 1751 1 10 . 1 1 39 39 SER H H 39 9.044 9.044 9.012 0.032 19210 1752 1 10 . 1 1 40 40 ARG N N 40 121.118 121.118 119.362 1.756 19210 1753 1 10 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.434 -0.333 19210 1754 1 10 . 1 1 40 40 ARG H H 40 8.573 8.573 8.268 0.305 19210 1755 1 10 . 1 1 41 41 ALA N N 41 123.139 123.139 122.375 0.764 19210 1756 1 10 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.498 -0.774 19210 1757 1 10 . 1 1 41 41 ALA H H 41 8.501 8.501 8.196 0.305 19210 1758 1 10 . 1 1 42 42 GLY N N 42 109.789 109.789 108.168 1.621 19210 1759 1 10 . 1 1 42 42 GLY H H 42 8.619 8.619 8.862 -0.243 19210 1760 1 10 . 1 1 43 43 LYS N N 43 122.160 122.160 120.406 1.754 19210 1761 1 10 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.689 -0.540 19210 1762 1 10 . 1 1 43 43 LYS H H 43 7.535 7.535 7.346 0.189 19210 1763 1 10 . 1 1 44 44 ILE N N 44 128.214 128.214 128.677 -0.463 19210 1764 1 10 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.092 0.026 19210 1765 1 10 . 1 1 44 44 ILE H H 44 8.902 8.902 8.884 0.018 19210 1766 1 10 . 1 1 45 45 CYS N N 45 123.076 123.076 125.083 -2.007 19210 1767 1 10 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.643 0.548 19210 1768 1 10 . 1 1 45 45 CYS H H 45 9.417 9.417 9.158 0.259 19210 1769 1 10 . 1 1 46 46 ARG N N 46 122.593 122.593 119.321 3.272 19210 1770 1 10 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.655 -0.180 19210 1771 1 10 . 1 1 46 46 ARG H H 46 7.611 7.611 7.526 0.085 19210 1772 1 10 . 1 1 47 47 ILE N N 47 126.701 126.701 122.222 4.479 19210 1773 1 10 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.467 -0.179 19210 1774 1 10 . 1 1 47 47 ILE H H 47 8.517 8.517 8.185 0.332 19210 1775 1 10 . 1 1 48 48 ALA N N 48 130.503 130.503 126.765 3.738 19210 1776 1 10 . 1 1 48 48 ALA HA H 48 4.323 4.323 5.176 -0.853 19210 1777 1 10 . 1 1 48 48 ALA H H 48 9.374 9.374 8.510 0.864 19210 1778 1 10 . 1 1 49 49 ARG N N 49 118.315 118.315 117.889 0.426 19210 1779 1 10 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.694 -0.296 19210 1780 1 10 . 1 1 49 49 ARG H H 49 8.331 8.331 8.623 -0.292 19210 1781 1 10 . 1 1 50 50 GLY N N 50 109.557 109.557 110.862 -1.305 19210 1782 1 10 . 1 1 50 50 GLY H H 50 8.426 8.426 7.414 1.012 19210 1783 1 10 . 1 1 51 51 ASP N N 51 120.231 120.231 123.096 -2.865 19210 1784 1 10 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.411 0.248 19210 1785 1 10 . 1 1 51 51 ASP H H 51 8.610 8.610 8.221 0.389 19210 1786 1 10 . 1 1 52 52 TRP N N 52 118.920 118.920 123.880 -4.960 19210 1787 1 10 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.386 0.410 19210 1788 1 10 . 1 1 52 52 TRP H H 52 7.862 7.862 8.295 -0.433 19210 1789 1 10 . 1 1 53 53 ASN N N 53 116.604 116.604 123.041 -6.437 19210 1790 1 10 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.852 -0.052 19210 1791 1 10 . 1 1 53 53 ASN H H 53 8.325 8.325 8.307 0.018 19210 1792 1 10 . 1 1 54 54 ASP N N 54 119.405 119.405 119.943 -0.538 19210 1793 1 10 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.366 0.338 19210 1794 1 10 . 1 1 54 54 ASP H H 54 8.186 8.186 8.236 -0.050 19210 1795 1 10 . 1 1 55 55 ASP N N 55 120.911 120.911 123.536 -2.625 19210 1796 1 10 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.551 0.500 19210 1797 1 10 . 1 1 55 55 ASP H H 55 8.640 8.640 8.167 0.473 19210 1798 1 10 . 1 1 56 56 ARG N N 56 119.204 119.204 124.331 -5.127 19210 1799 1 10 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.818 0.523 19210 1800 1 10 . 1 1 56 56 ARG H H 56 8.234 8.234 8.263 -0.029 19210 1801 1 10 . 1 1 57 57 CYS N N 57 119.250 119.250 123.547 -4.297 19210 1802 1 10 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.354 0.530 19210 1803 1 10 . 1 1 57 57 CYS H H 57 9.344 9.344 9.155 0.189 19210 1804 1 10 . 1 1 58 58 THR N N 58 112.882 112.882 112.360 0.522 19210 1805 1 10 . 1 1 58 58 THR HA H 58 4.442 4.442 4.281 0.161 19210 1806 1 10 . 1 1 58 58 THR H H 58 10.180 10.180 8.814 1.366 19210 1807 1 10 . 1 1 59 59 GLY N N 59 111.190 111.190 110.985 0.205 19210 1808 1 10 . 1 1 59 59 GLY H H 59 8.546 8.546 8.092 0.454 19210 1809 1 10 . 1 1 60 60 GLN N N 60 114.377 114.377 121.014 -6.637 19210 1810 1 10 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.826 0.472 19210 1811 1 10 . 1 1 60 60 GLN H H 60 7.986 7.986 7.834 0.152 19210 1812 1 10 . 1 1 61 61 SER N N 61 110.403 110.403 114.795 -4.392 19210 1813 1 10 . 1 1 61 61 SER HA H 61 3.880 3.880 4.402 -0.522 19210 1814 1 10 . 1 1 61 61 SER H H 61 6.630 6.630 7.314 -0.684 19210 1815 1 10 . 1 1 62 62 ALA N N 62 125.118 125.118 124.921 0.197 19210 1816 1 10 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.713 -0.278 19210 1817 1 10 . 1 1 62 62 ALA H H 62 9.027 9.027 8.777 0.250 19210 1818 1 10 . 1 1 63 63 ASP N N 63 116.936 116.936 119.106 -2.170 19210 1819 1 10 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.789 0.106 19210 1820 1 10 . 1 1 63 63 ASP H H 63 8.080 8.080 8.270 -0.190 19210 1821 1 10 . 1 1 64 64 CYS N N 64 121.286 121.286 123.963 -2.677 19210 1822 1 10 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.772 0.630 19210 1823 1 10 . 1 1 64 64 CYS H H 64 8.924 8.924 8.450 0.474 19210 1824 1 10 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.626 -0.251 19210 1825 1 10 . 1 1 66 66 ARG N N 66 118.950 118.950 117.300 1.650 19210 1826 1 10 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.392 -0.030 19210 1827 1 10 . 1 1 66 66 ARG H H 66 8.203 8.203 7.905 0.298 19210 1828 1 10 . 1 1 67 67 TYR N N 67 123.890 123.890 118.018 5.872 19210 1829 1 10 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.466 -0.007 19210 1830 1 10 . 1 1 67 67 TYR H H 67 8.650 8.650 8.548 0.102 19210 1831 1 11 . 1 1 2 2 LYS N N 2 120.685 120.685 121.745 -1.060 19210 1832 1 11 . 1 1 2 2 LYS H H 2 8.331 8.331 8.014 0.317 19210 1833 1 11 . 1 1 3 3 GLU N N 3 120.726 120.726 119.341 1.385 19210 1834 1 11 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.459 -0.137 19210 1835 1 11 . 1 1 3 3 GLU H H 3 8.659 8.659 8.553 0.106 19210 1836 1 11 . 1 1 4 4 CYS N N 4 119.143 119.143 117.661 1.482 19210 1837 1 11 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.843 0.132 19210 1838 1 11 . 1 1 4 4 CYS H H 4 8.116 8.116 7.818 0.298 19210 1839 1 11 . 1 1 5 5 ASP N N 5 119.126 119.126 125.842 -6.716 19210 1840 1 11 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.826 -0.009 19210 1841 1 11 . 1 1 5 5 ASP H H 5 8.776 8.776 9.400 -0.624 19210 1842 1 11 . 1 1 6 6 CYS N N 6 112.124 112.124 112.973 -0.849 19210 1843 1 11 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.988 -0.057 19210 1844 1 11 . 1 1 6 6 CYS H H 6 6.975 6.975 7.317 -0.342 19210 1845 1 11 . 1 1 7 7 SER N N 7 118.845 118.845 114.678 4.167 19210 1846 1 11 . 1 1 7 7 SER HA H 7 4.226 4.226 4.508 -0.282 19210 1847 1 11 . 1 1 7 7 SER H H 7 9.659 9.659 8.987 0.672 19210 1848 1 11 . 1 1 8 8 SER N N 8 115.212 115.212 118.621 -3.409 19210 1849 1 11 . 1 1 8 8 SER HA H 8 5.137 5.137 4.914 0.223 19210 1850 1 11 . 1 1 8 8 SER H H 8 7.862 7.862 7.545 0.317 19210 1851 1 11 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.456 0.103 19210 1852 1 11 . 1 1 10 10 GLU N N 10 116.255 116.255 117.944 -1.689 19210 1853 1 11 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.180 0.114 19210 1854 1 11 . 1 1 10 10 GLU H H 10 8.244 8.244 8.199 0.045 19210 1855 1 11 . 1 1 11 11 ASN N N 11 120.176 120.176 118.485 1.691 19210 1856 1 11 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.728 0.066 19210 1857 1 11 . 1 1 11 11 ASN H H 11 7.260 7.260 7.500 -0.240 19210 1858 1 11 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.409 0.295 19210 1859 1 11 . 1 1 13 13 CYS N N 13 117.315 117.315 116.779 0.536 19210 1860 1 11 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.217 0.431 19210 1861 1 11 . 1 1 13 13 CYS H H 13 8.931 8.931 8.229 0.702 19210 1862 1 11 . 1 1 14 14 CYS N N 14 111.828 111.828 116.174 -4.346 19210 1863 1 11 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.746 0.310 19210 1864 1 11 . 1 1 14 14 CYS H H 14 7.543 7.543 7.486 0.057 19210 1865 1 11 . 1 1 15 15 ASP N N 15 120.797 120.797 125.743 -4.946 19210 1866 1 11 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.411 0.159 19210 1867 1 11 . 1 1 15 15 ASP H H 15 8.212 8.212 8.772 -0.560 19210 1868 1 11 . 1 1 16 16 ALA N N 16 130.631 130.631 128.672 1.959 19210 1869 1 11 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.140 0.008 19210 1870 1 11 . 1 1 16 16 ALA H H 16 8.996 8.996 8.587 0.409 19210 1871 1 11 . 1 1 17 17 ALA N N 17 104.931 104.931 122.219 -17.288 19210 1872 1 11 . 1 1 17 17 ALA HA H 17 4.361 4.361 3.996 0.365 19210 1873 1 11 . 1 1 17 17 ALA H H 17 8.669 8.669 8.108 0.561 19210 1874 1 11 . 1 1 18 18 THR N N 18 104.831 104.831 110.222 -5.391 19210 1875 1 11 . 1 1 18 18 THR HA H 18 4.445 4.445 4.322 0.123 19210 1876 1 11 . 1 1 18 18 THR H H 18 7.743 7.743 7.742 0.001 19210 1877 1 11 . 1 1 19 19 CYS N N 19 118.516 118.516 120.716 -2.200 19210 1878 1 11 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.155 0.487 19210 1879 1 11 . 1 1 19 19 CYS H H 19 8.601 8.601 8.026 0.575 19210 1880 1 11 . 1 1 20 20 LYS N N 20 117.755 117.755 117.324 0.431 19210 1881 1 11 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.746 0.199 19210 1882 1 11 . 1 1 20 20 LYS H H 20 7.964 7.964 7.552 0.412 19210 1883 1 11 . 1 1 21 21 LEU N N 21 119.922 119.922 122.265 -2.343 19210 1884 1 11 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.216 0.069 19210 1885 1 11 . 1 1 21 21 LEU H H 21 9.211 9.211 8.722 0.489 19210 1886 1 11 . 1 1 22 22 ARG N N 22 121.994 121.994 126.548 -4.554 19210 1887 1 11 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.410 0.038 19210 1888 1 11 . 1 1 22 22 ARG H H 22 8.490 8.490 8.382 0.108 19210 1889 1 11 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.509 -0.120 19210 1890 1 11 . 1 1 24 24 GLY N N 24 113.118 113.118 105.662 7.456 19210 1891 1 11 . 1 1 24 24 GLY H H 24 8.830 8.830 8.389 0.441 19210 1892 1 11 . 1 1 25 25 ALA N N 25 122.763 122.763 121.516 1.247 19210 1893 1 11 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.060 0.480 19210 1894 1 11 . 1 1 25 25 ALA H H 25 7.942 7.942 7.383 0.559 19210 1895 1 11 . 1 1 26 26 GLN N N 26 117.396 117.396 121.429 -4.033 19210 1896 1 11 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.014 0.099 19210 1897 1 11 . 1 1 26 26 GLN H H 26 8.827 8.827 8.389 0.438 19210 1898 1 11 . 1 1 27 27 CYS N N 27 112.799 112.799 112.240 0.559 19210 1899 1 11 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.864 -0.309 19210 1900 1 11 . 1 1 27 27 CYS H H 27 7.805 7.805 7.513 0.292 19210 1901 1 11 . 1 1 28 28 GLY N N 28 104.351 104.351 109.131 -4.780 19210 1902 1 11 . 1 1 28 28 GLY H H 28 9.163 9.163 8.814 0.349 19210 1903 1 11 . 1 1 29 29 GLU N N 29 117.534 117.534 120.062 -2.528 19210 1904 1 11 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.601 0.181 19210 1905 1 11 . 1 1 29 29 GLU H H 29 7.844 7.844 7.662 0.182 19210 1906 1 11 . 1 1 30 30 GLY N N 30 107.933 107.933 108.518 -0.585 19210 1907 1 11 . 1 1 30 30 GLY H H 30 8.391 8.391 8.269 0.122 19210 1908 1 11 . 1 1 31 31 LEU N N 31 120.439 120.439 120.378 0.061 19210 1909 1 11 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.500 -0.146 19210 1910 1 11 . 1 1 31 31 LEU H H 31 8.960 8.960 8.086 0.874 19210 1911 1 11 . 1 1 32 32 CYS N N 32 114.457 114.457 117.747 -3.290 19210 1912 1 11 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.629 0.479 19210 1913 1 11 . 1 1 32 32 CYS H H 32 8.467 8.467 8.095 0.372 19210 1914 1 11 . 1 1 33 33 CYS N N 33 120.753 120.753 120.924 -0.171 19210 1915 1 11 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.238 0.053 19210 1916 1 11 . 1 1 33 33 CYS H H 33 7.365 7.365 8.033 -0.668 19210 1917 1 11 . 1 1 34 34 GLU N N 34 128.062 128.062 124.756 3.306 19210 1918 1 11 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.660 0.022 19210 1919 1 11 . 1 1 34 34 GLU H H 34 9.742 9.742 8.487 1.255 19210 1920 1 11 . 1 1 35 35 GLN N N 35 124.793 124.793 122.796 1.997 19210 1921 1 11 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.967 0.032 19210 1922 1 11 . 1 1 35 35 GLN H H 35 9.453 9.453 9.039 0.414 19210 1923 1 11 . 1 1 36 36 CYS N N 36 104.799 104.799 113.029 -8.230 19210 1924 1 11 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.126 0.675 19210 1925 1 11 . 1 1 36 36 CYS H H 36 8.492 8.492 8.586 -0.094 19210 1926 1 11 . 1 1 37 37 LYS N N 37 120.580 120.580 118.605 1.975 19210 1927 1 11 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.407 0.296 19210 1928 1 11 . 1 1 37 37 LYS H H 37 8.024 8.024 7.514 0.510 19210 1929 1 11 . 1 1 38 38 PHE N N 38 119.267 119.267 119.699 -0.432 19210 1930 1 11 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.602 0.539 19210 1931 1 11 . 1 1 38 38 PHE H H 38 8.276 8.276 8.386 -0.110 19210 1932 1 11 . 1 1 39 39 SER N N 39 120.055 120.055 121.343 -1.288 19210 1933 1 11 . 1 1 39 39 SER HA H 39 4.274 4.274 4.387 -0.113 19210 1934 1 11 . 1 1 39 39 SER H H 39 9.044 9.044 9.096 -0.052 19210 1935 1 11 . 1 1 40 40 ARG N N 40 121.118 121.118 116.921 4.197 19210 1936 1 11 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.571 -0.470 19210 1937 1 11 . 1 1 40 40 ARG H H 40 8.573 8.573 8.189 0.384 19210 1938 1 11 . 1 1 41 41 ALA N N 41 123.139 123.139 122.663 0.476 19210 1939 1 11 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.459 -0.735 19210 1940 1 11 . 1 1 41 41 ALA H H 41 8.501 8.501 8.223 0.278 19210 1941 1 11 . 1 1 42 42 GLY N N 42 109.789 109.789 107.450 2.339 19210 1942 1 11 . 1 1 42 42 GLY H H 42 8.619 8.619 8.420 0.199 19210 1943 1 11 . 1 1 43 43 LYS N N 43 122.160 122.160 120.740 1.420 19210 1944 1 11 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.594 -0.445 19210 1945 1 11 . 1 1 43 43 LYS H H 43 7.535 7.535 7.340 0.195 19210 1946 1 11 . 1 1 44 44 ILE N N 44 128.214 128.214 129.174 -0.960 19210 1947 1 11 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.801 -0.683 19210 1948 1 11 . 1 1 44 44 ILE H H 44 8.902 8.902 8.676 0.226 19210 1949 1 11 . 1 1 45 45 CYS N N 45 123.076 123.076 126.080 -3.004 19210 1950 1 11 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.605 0.586 19210 1951 1 11 . 1 1 45 45 CYS H H 45 9.417 9.417 8.431 0.986 19210 1952 1 11 . 1 1 46 46 ARG N N 46 122.593 122.593 118.992 3.601 19210 1953 1 11 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.578 -0.103 19210 1954 1 11 . 1 1 46 46 ARG H H 46 7.611 7.611 7.510 0.101 19210 1955 1 11 . 1 1 47 47 ILE N N 47 126.701 126.701 121.832 4.869 19210 1956 1 11 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.131 0.157 19210 1957 1 11 . 1 1 47 47 ILE H H 47 8.517 8.517 8.665 -0.148 19210 1958 1 11 . 1 1 48 48 ALA N N 48 130.503 130.503 130.376 0.127 19210 1959 1 11 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.622 -0.299 19210 1960 1 11 . 1 1 48 48 ALA H H 48 9.374 9.374 8.256 1.118 19210 1961 1 11 . 1 1 49 49 ARG N N 49 118.315 118.315 124.698 -6.383 19210 1962 1 11 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.332 0.066 19210 1963 1 11 . 1 1 49 49 ARG H H 49 8.331 8.331 9.120 -0.789 19210 1964 1 11 . 1 1 50 50 GLY N N 50 109.557 109.557 112.547 -2.990 19210 1965 1 11 . 1 1 50 50 GLY H H 50 8.426 8.426 7.945 0.481 19210 1966 1 11 . 1 1 51 51 ASP N N 51 120.231 120.231 117.478 2.753 19210 1967 1 11 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.320 0.339 19210 1968 1 11 . 1 1 51 51 ASP H H 51 8.610 8.610 7.065 1.545 19210 1969 1 11 . 1 1 52 52 TRP N N 52 118.920 118.920 120.970 -2.050 19210 1970 1 11 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.410 0.386 19210 1971 1 11 . 1 1 52 52 TRP H H 52 7.862 7.862 7.000 0.862 19210 1972 1 11 . 1 1 53 53 ASN N N 53 116.604 116.604 119.342 -2.738 19210 1973 1 11 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.456 0.344 19210 1974 1 11 . 1 1 53 53 ASN H H 53 8.325 8.325 8.396 -0.071 19210 1975 1 11 . 1 1 54 54 ASP N N 54 119.405 119.405 119.236 0.169 19210 1976 1 11 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.731 -0.027 19210 1977 1 11 . 1 1 54 54 ASP H H 54 8.186 8.186 8.178 0.008 19210 1978 1 11 . 1 1 55 55 ASP N N 55 120.911 120.911 120.296 0.615 19210 1979 1 11 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.609 0.442 19210 1980 1 11 . 1 1 55 55 ASP H H 55 8.640 8.640 8.559 0.081 19210 1981 1 11 . 1 1 56 56 ARG N N 56 119.204 119.204 123.725 -4.521 19210 1982 1 11 . 1 1 56 56 ARG HA H 56 5.341 5.341 5.173 0.168 19210 1983 1 11 . 1 1 56 56 ARG H H 56 8.234 8.234 8.319 -0.085 19210 1984 1 11 . 1 1 57 57 CYS N N 57 119.250 119.250 124.805 -5.555 19210 1985 1 11 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.583 0.301 19210 1986 1 11 . 1 1 57 57 CYS H H 57 9.344 9.344 9.087 0.257 19210 1987 1 11 . 1 1 58 58 THR N N 58 112.882 112.882 112.917 -0.035 19210 1988 1 11 . 1 1 58 58 THR HA H 58 4.442 4.442 4.161 0.281 19210 1989 1 11 . 1 1 58 58 THR H H 58 10.180 10.180 8.703 1.477 19210 1990 1 11 . 1 1 59 59 GLY N N 59 111.190 111.190 109.632 1.558 19210 1991 1 11 . 1 1 59 59 GLY H H 59 8.546 8.546 8.314 0.232 19210 1992 1 11 . 1 1 60 60 GLN N N 60 114.377 114.377 118.965 -4.588 19210 1993 1 11 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.136 0.162 19210 1994 1 11 . 1 1 60 60 GLN H H 60 7.986 7.986 7.772 0.214 19210 1995 1 11 . 1 1 61 61 SER N N 61 110.403 110.403 115.917 -5.514 19210 1996 1 11 . 1 1 61 61 SER HA H 61 3.880 3.880 4.285 -0.405 19210 1997 1 11 . 1 1 61 61 SER H H 61 6.630 6.630 7.357 -0.727 19210 1998 1 11 . 1 1 62 62 ALA N N 62 125.118 125.118 124.735 0.383 19210 1999 1 11 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.742 -0.307 19210 2000 1 11 . 1 1 62 62 ALA H H 62 9.027 9.027 8.551 0.476 19210 2001 1 11 . 1 1 63 63 ASP N N 63 116.936 116.936 119.072 -2.136 19210 2002 1 11 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.727 0.168 19210 2003 1 11 . 1 1 63 63 ASP H H 63 8.080 8.080 7.943 0.137 19210 2004 1 11 . 1 1 64 64 CYS N N 64 121.286 121.286 125.594 -4.308 19210 2005 1 11 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.749 0.654 19210 2006 1 11 . 1 1 64 64 CYS H H 64 8.924 8.924 8.538 0.386 19210 2007 1 11 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.516 -0.141 19210 2008 1 11 . 1 1 66 66 ARG N N 66 118.950 118.950 116.202 2.748 19210 2009 1 11 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.359 0.003 19210 2010 1 11 . 1 1 66 66 ARG H H 66 8.203 8.203 8.154 0.049 19210 2011 1 11 . 1 1 67 67 TYR N N 67 123.890 123.890 118.602 5.288 19210 2012 1 11 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.671 -0.212 19210 2013 1 11 . 1 1 67 67 TYR H H 67 8.650 8.650 8.579 0.071 19210 2014 1 12 . 1 1 2 2 LYS N N 2 120.685 120.685 123.492 -2.807 19210 2015 1 12 . 1 1 2 2 LYS H H 2 8.331 8.331 8.373 -0.042 19210 2016 1 12 . 1 1 3 3 GLU N N 3 120.726 120.726 119.914 0.812 19210 2017 1 12 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.487 -0.165 19210 2018 1 12 . 1 1 3 3 GLU H H 3 8.659 8.659 8.688 -0.029 19210 2019 1 12 . 1 1 4 4 CYS N N 4 119.143 119.143 119.848 -0.705 19210 2020 1 12 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.749 0.226 19210 2021 1 12 . 1 1 4 4 CYS H H 4 8.116 8.116 7.945 0.171 19210 2022 1 12 . 1 1 5 5 ASP N N 5 119.126 119.126 124.373 -5.247 19210 2023 1 12 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.632 0.185 19210 2024 1 12 . 1 1 5 5 ASP H H 5 8.776 8.776 8.840 -0.064 19210 2025 1 12 . 1 1 6 6 CYS N N 6 112.124 112.124 113.845 -1.721 19210 2026 1 12 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.862 0.069 19210 2027 1 12 . 1 1 6 6 CYS H H 6 6.975 6.975 7.665 -0.690 19210 2028 1 12 . 1 1 7 7 SER N N 7 118.845 118.845 115.666 3.179 19210 2029 1 12 . 1 1 7 7 SER HA H 7 4.226 4.226 4.576 -0.350 19210 2030 1 12 . 1 1 7 7 SER H H 7 9.659 9.659 9.012 0.647 19210 2031 1 12 . 1 1 8 8 SER N N 8 115.212 115.212 119.505 -4.293 19210 2032 1 12 . 1 1 8 8 SER HA H 8 5.137 5.137 4.876 0.261 19210 2033 1 12 . 1 1 8 8 SER H H 8 7.862 7.862 7.708 0.154 19210 2034 1 12 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.432 0.127 19210 2035 1 12 . 1 1 10 10 GLU N N 10 116.255 116.255 116.931 -0.676 19210 2036 1 12 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.349 -0.055 19210 2037 1 12 . 1 1 10 10 GLU H H 10 8.244 8.244 8.160 0.084 19210 2038 1 12 . 1 1 11 11 ASN N N 11 120.176 120.176 118.763 1.413 19210 2039 1 12 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.927 -0.133 19210 2040 1 12 . 1 1 11 11 ASN H H 11 7.260 7.260 7.526 -0.266 19210 2041 1 12 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.539 0.165 19210 2042 1 12 . 1 1 13 13 CYS N N 13 117.315 117.315 115.184 2.131 19210 2043 1 12 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.499 0.149 19210 2044 1 12 . 1 1 13 13 CYS H H 13 8.931 8.931 8.560 0.371 19210 2045 1 12 . 1 1 14 14 CYS N N 14 111.828 111.828 115.537 -3.709 19210 2046 1 12 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.897 0.159 19210 2047 1 12 . 1 1 14 14 CYS H H 14 7.543 7.543 7.367 0.176 19210 2048 1 12 . 1 1 15 15 ASP N N 15 120.797 120.797 121.964 -1.167 19210 2049 1 12 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.757 -0.187 19210 2050 1 12 . 1 1 15 15 ASP H H 15 8.212 8.212 8.841 -0.629 19210 2051 1 12 . 1 1 16 16 ALA N N 16 130.631 130.631 128.089 2.542 19210 2052 1 12 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.116 0.032 19210 2053 1 12 . 1 1 16 16 ALA H H 16 8.996 8.996 8.618 0.378 19210 2054 1 12 . 1 1 17 17 ALA N N 17 104.931 104.931 122.133 -17.202 19210 2055 1 12 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.065 0.296 19210 2056 1 12 . 1 1 17 17 ALA H H 17 8.669 8.669 8.206 0.463 19210 2057 1 12 . 1 1 18 18 THR N N 18 104.831 104.831 107.162 -2.331 19210 2058 1 12 . 1 1 18 18 THR HA H 18 4.445 4.445 4.371 0.074 19210 2059 1 12 . 1 1 18 18 THR H H 18 7.743 7.743 7.851 -0.108 19210 2060 1 12 . 1 1 19 19 CYS N N 19 118.516 118.516 117.001 1.515 19210 2061 1 12 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.219 0.423 19210 2062 1 12 . 1 1 19 19 CYS H H 19 8.601 8.601 7.696 0.905 19210 2063 1 12 . 1 1 20 20 LYS N N 20 117.755 117.755 117.425 0.330 19210 2064 1 12 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.541 0.404 19210 2065 1 12 . 1 1 20 20 LYS H H 20 7.964 7.964 7.304 0.660 19210 2066 1 12 . 1 1 21 21 LEU N N 21 119.922 119.922 123.059 -3.137 19210 2067 1 12 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.349 -0.064 19210 2068 1 12 . 1 1 21 21 LEU H H 21 9.211 9.211 8.708 0.503 19210 2069 1 12 . 1 1 22 22 ARG N N 22 121.994 121.994 125.208 -3.214 19210 2070 1 12 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.384 0.064 19210 2071 1 12 . 1 1 22 22 ARG H H 22 8.490 8.490 8.204 0.286 19210 2072 1 12 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.517 -0.128 19210 2073 1 12 . 1 1 24 24 GLY N N 24 113.118 113.118 106.427 6.691 19210 2074 1 12 . 1 1 24 24 GLY H H 24 8.830 8.830 8.364 0.466 19210 2075 1 12 . 1 1 25 25 ALA N N 25 122.763 122.763 121.626 1.137 19210 2076 1 12 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.230 0.310 19210 2077 1 12 . 1 1 25 25 ALA H H 25 7.942 7.942 7.424 0.518 19210 2078 1 12 . 1 1 26 26 GLN N N 26 117.396 117.396 117.152 0.244 19210 2079 1 12 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.407 -0.294 19210 2080 1 12 . 1 1 26 26 GLN H H 26 8.827 8.827 8.594 0.233 19210 2081 1 12 . 1 1 27 27 CYS N N 27 112.799 112.799 117.193 -4.394 19210 2082 1 12 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.876 -0.321 19210 2083 1 12 . 1 1 27 27 CYS H H 27 7.805 7.805 7.459 0.346 19210 2084 1 12 . 1 1 28 28 GLY N N 28 104.351 104.351 109.186 -4.835 19210 2085 1 12 . 1 1 28 28 GLY H H 28 9.163 9.163 8.584 0.579 19210 2086 1 12 . 1 1 29 29 GLU N N 29 117.534 117.534 116.901 0.633 19210 2087 1 12 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.451 0.331 19210 2088 1 12 . 1 1 29 29 GLU H H 29 7.844 7.844 7.667 0.177 19210 2089 1 12 . 1 1 30 30 GLY N N 30 107.933 107.933 108.076 -0.143 19210 2090 1 12 . 1 1 30 30 GLY H H 30 8.391 8.391 8.066 0.325 19210 2091 1 12 . 1 1 31 31 LEU N N 31 120.439 120.439 122.504 -2.065 19210 2092 1 12 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.175 0.179 19210 2093 1 12 . 1 1 31 31 LEU H H 31 8.960 8.960 8.534 0.426 19210 2094 1 12 . 1 1 32 32 CYS N N 32 114.457 114.457 116.675 -2.218 19210 2095 1 12 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.467 0.641 19210 2096 1 12 . 1 1 32 32 CYS H H 32 8.467 8.467 7.660 0.807 19210 2097 1 12 . 1 1 33 33 CYS N N 33 120.753 120.753 120.633 0.120 19210 2098 1 12 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.380 -0.089 19210 2099 1 12 . 1 1 33 33 CYS H H 33 7.365 7.365 7.411 -0.046 19210 2100 1 12 . 1 1 34 34 GLU N N 34 128.062 128.062 126.829 1.233 19210 2101 1 12 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.557 0.125 19210 2102 1 12 . 1 1 34 34 GLU H H 34 9.742 9.742 8.282 1.460 19210 2103 1 12 . 1 1 35 35 GLN N N 35 124.793 124.793 119.220 5.573 19210 2104 1 12 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.983 0.016 19210 2105 1 12 . 1 1 35 35 GLN H H 35 9.453 9.453 8.886 0.567 19210 2106 1 12 . 1 1 36 36 CYS N N 36 104.799 104.799 112.294 -7.495 19210 2107 1 12 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.274 0.527 19210 2108 1 12 . 1 1 36 36 CYS H H 36 8.492 8.492 8.402 0.090 19210 2109 1 12 . 1 1 37 37 LYS N N 37 120.580 120.580 117.292 3.288 19210 2110 1 12 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.714 -0.011 19210 2111 1 12 . 1 1 37 37 LYS H H 37 8.024 8.024 7.184 0.840 19210 2112 1 12 . 1 1 38 38 PHE N N 38 119.267 119.267 120.587 -1.320 19210 2113 1 12 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.779 0.362 19210 2114 1 12 . 1 1 38 38 PHE H H 38 8.276 8.276 8.753 -0.477 19210 2115 1 12 . 1 1 39 39 SER N N 39 120.055 120.055 119.750 0.305 19210 2116 1 12 . 1 1 39 39 SER HA H 39 4.274 4.274 4.436 -0.162 19210 2117 1 12 . 1 1 39 39 SER H H 39 9.044 9.044 9.079 -0.035 19210 2118 1 12 . 1 1 40 40 ARG N N 40 121.118 121.118 121.041 0.077 19210 2119 1 12 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.278 -0.177 19210 2120 1 12 . 1 1 40 40 ARG H H 40 8.573 8.573 8.721 -0.148 19210 2121 1 12 . 1 1 41 41 ALA N N 41 123.139 123.139 121.009 2.130 19210 2122 1 12 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.468 -0.744 19210 2123 1 12 . 1 1 41 41 ALA H H 41 8.501 8.501 8.135 0.366 19210 2124 1 12 . 1 1 42 42 GLY N N 42 109.789 109.789 107.748 2.041 19210 2125 1 12 . 1 1 42 42 GLY H H 42 8.619 8.619 8.691 -0.072 19210 2126 1 12 . 1 1 43 43 LYS N N 43 122.160 122.160 120.770 1.390 19210 2127 1 12 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.504 -0.355 19210 2128 1 12 . 1 1 43 43 LYS H H 43 7.535 7.535 7.370 0.165 19210 2129 1 12 . 1 1 44 44 ILE N N 44 128.214 128.214 129.017 -0.803 19210 2130 1 12 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.192 -0.074 19210 2131 1 12 . 1 1 44 44 ILE H H 44 8.902 8.902 8.694 0.208 19210 2132 1 12 . 1 1 45 45 CYS N N 45 123.076 123.076 125.140 -2.064 19210 2133 1 12 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.355 0.836 19210 2134 1 12 . 1 1 45 45 CYS H H 45 9.417 9.417 8.456 0.961 19210 2135 1 12 . 1 1 46 46 ARG N N 46 122.593 122.593 120.348 2.245 19210 2136 1 12 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.510 -0.035 19210 2137 1 12 . 1 1 46 46 ARG H H 46 7.611 7.611 7.431 0.180 19210 2138 1 12 . 1 1 47 47 ILE N N 47 126.701 126.701 124.880 1.821 19210 2139 1 12 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.146 0.142 19210 2140 1 12 . 1 1 47 47 ILE H H 47 8.517 8.517 8.549 -0.032 19210 2141 1 12 . 1 1 48 48 ALA N N 48 130.503 130.503 132.762 -2.259 19210 2142 1 12 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.441 -0.118 19210 2143 1 12 . 1 1 48 48 ALA H H 48 9.374 9.374 8.122 1.252 19210 2144 1 12 . 1 1 49 49 ARG N N 49 118.315 118.315 126.237 -7.922 19210 2145 1 12 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.276 0.122 19210 2146 1 12 . 1 1 49 49 ARG H H 49 8.331 8.331 8.920 -0.589 19210 2147 1 12 . 1 1 50 50 GLY N N 50 109.557 109.557 112.814 -3.257 19210 2148 1 12 . 1 1 50 50 GLY H H 50 8.426 8.426 8.266 0.160 19210 2149 1 12 . 1 1 51 51 ASP N N 51 120.231 120.231 119.193 1.038 19210 2150 1 12 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.403 0.256 19210 2151 1 12 . 1 1 51 51 ASP H H 51 8.610 8.610 6.437 2.173 19210 2152 1 12 . 1 1 52 52 TRP N N 52 118.920 118.920 119.286 -0.366 19210 2153 1 12 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.916 -0.120 19210 2154 1 12 . 1 1 52 52 TRP H H 52 7.862 7.862 6.925 0.937 19210 2155 1 12 . 1 1 53 53 ASN N N 53 116.604 116.604 119.948 -3.344 19210 2156 1 12 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.712 0.088 19210 2157 1 12 . 1 1 53 53 ASN H H 53 8.325 8.325 8.660 -0.335 19210 2158 1 12 . 1 1 54 54 ASP N N 54 119.405 119.405 122.482 -3.077 19210 2159 1 12 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.560 0.144 19210 2160 1 12 . 1 1 54 54 ASP H H 54 8.186 8.186 8.627 -0.441 19210 2161 1 12 . 1 1 55 55 ASP N N 55 120.911 120.911 120.794 0.117 19210 2162 1 12 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.982 0.069 19210 2163 1 12 . 1 1 55 55 ASP H H 55 8.640 8.640 8.159 0.481 19210 2164 1 12 . 1 1 56 56 ARG N N 56 119.204 119.204 122.566 -3.362 19210 2165 1 12 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.910 0.431 19210 2166 1 12 . 1 1 56 56 ARG H H 56 8.234 8.234 8.580 -0.346 19210 2167 1 12 . 1 1 57 57 CYS N N 57 119.250 119.250 124.850 -5.600 19210 2168 1 12 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.286 0.598 19210 2169 1 12 . 1 1 57 57 CYS H H 57 9.344 9.344 9.062 0.282 19210 2170 1 12 . 1 1 58 58 THR N N 58 112.882 112.882 112.861 0.021 19210 2171 1 12 . 1 1 58 58 THR HA H 58 4.442 4.442 4.386 0.056 19210 2172 1 12 . 1 1 58 58 THR H H 58 10.180 10.180 8.203 1.977 19210 2173 1 12 . 1 1 59 59 GLY N N 59 111.190 111.190 109.865 1.325 19210 2174 1 12 . 1 1 59 59 GLY H H 59 8.546 8.546 8.019 0.527 19210 2175 1 12 . 1 1 60 60 GLN N N 60 114.377 114.377 117.808 -3.431 19210 2176 1 12 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.718 -0.420 19210 2177 1 12 . 1 1 60 60 GLN H H 60 7.986 7.986 7.871 0.115 19210 2178 1 12 . 1 1 61 61 SER N N 61 110.403 110.403 115.433 -5.030 19210 2179 1 12 . 1 1 61 61 SER HA H 61 3.880 3.880 4.775 -0.895 19210 2180 1 12 . 1 1 61 61 SER H H 61 6.630 6.630 7.699 -1.069 19210 2181 1 12 . 1 1 62 62 ALA N N 62 125.118 125.118 126.566 -1.448 19210 2182 1 12 . 1 1 62 62 ALA HA H 62 4.435 4.435 3.612 0.823 19210 2183 1 12 . 1 1 62 62 ALA H H 62 9.027 9.027 8.127 0.900 19210 2184 1 12 . 1 1 63 63 ASP N N 63 116.936 116.936 118.243 -1.307 19210 2185 1 12 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.521 0.374 19210 2186 1 12 . 1 1 63 63 ASP H H 63 8.080 8.080 7.681 0.399 19210 2187 1 12 . 1 1 64 64 CYS N N 64 121.286 121.286 125.635 -4.349 19210 2188 1 12 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.622 0.781 19210 2189 1 12 . 1 1 64 64 CYS H H 64 8.924 8.924 8.634 0.290 19210 2190 1 12 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.476 -0.101 19210 2191 1 12 . 1 1 66 66 ARG N N 66 118.950 118.950 122.960 -4.010 19210 2192 1 12 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.151 0.211 19210 2193 1 12 . 1 1 66 66 ARG H H 66 8.203 8.203 8.271 -0.068 19210 2194 1 12 . 1 1 67 67 TYR N N 67 123.890 123.890 122.582 1.308 19210 2195 1 12 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.581 -0.122 19210 2196 1 12 . 1 1 67 67 TYR H H 67 8.650 8.650 8.087 0.563 19210 2197 1 13 . 1 1 2 2 LYS N N 2 120.685 120.685 121.508 -0.823 19210 2198 1 13 . 1 1 2 2 LYS H H 2 8.331 8.331 8.090 0.241 19210 2199 1 13 . 1 1 3 3 GLU N N 3 120.726 120.726 114.760 5.966 19210 2200 1 13 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.351 -0.029 19210 2201 1 13 . 1 1 3 3 GLU H H 3 8.659 8.659 8.309 0.350 19210 2202 1 13 . 1 1 4 4 CYS N N 4 119.143 119.143 119.182 -0.039 19210 2203 1 13 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.767 0.208 19210 2204 1 13 . 1 1 4 4 CYS H H 4 8.116 8.116 8.163 -0.047 19210 2205 1 13 . 1 1 5 5 ASP N N 5 119.126 119.126 124.227 -5.101 19210 2206 1 13 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.690 0.127 19210 2207 1 13 . 1 1 5 5 ASP H H 5 8.776 8.776 9.062 -0.286 19210 2208 1 13 . 1 1 6 6 CYS N N 6 112.124 112.124 116.885 -4.761 19210 2209 1 13 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.823 0.108 19210 2210 1 13 . 1 1 6 6 CYS H H 6 6.975 6.975 7.853 -0.878 19210 2211 1 13 . 1 1 7 7 SER N N 7 118.845 118.845 115.890 2.955 19210 2212 1 13 . 1 1 7 7 SER HA H 7 4.226 4.226 4.591 -0.365 19210 2213 1 13 . 1 1 7 7 SER H H 7 9.659 9.659 8.426 1.233 19210 2214 1 13 . 1 1 8 8 SER N N 8 115.212 115.212 116.623 -1.411 19210 2215 1 13 . 1 1 8 8 SER HA H 8 5.137 5.137 4.911 0.226 19210 2216 1 13 . 1 1 8 8 SER H H 8 7.862 7.862 7.830 0.032 19210 2217 1 13 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.497 0.062 19210 2218 1 13 . 1 1 10 10 GLU N N 10 116.255 116.255 117.693 -1.438 19210 2219 1 13 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.234 0.060 19210 2220 1 13 . 1 1 10 10 GLU H H 10 8.244 8.244 7.858 0.386 19210 2221 1 13 . 1 1 11 11 ASN N N 11 120.176 120.176 120.568 -0.392 19210 2222 1 13 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.836 -0.042 19210 2223 1 13 . 1 1 11 11 ASN H H 11 7.260 7.260 7.490 -0.230 19210 2224 1 13 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.435 0.269 19210 2225 1 13 . 1 1 13 13 CYS N N 13 117.315 117.315 117.607 -0.292 19210 2226 1 13 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.542 0.106 19210 2227 1 13 . 1 1 13 13 CYS H H 13 8.931 8.931 8.177 0.754 19210 2228 1 13 . 1 1 14 14 CYS N N 14 111.828 111.828 118.152 -6.324 19210 2229 1 13 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.953 0.103 19210 2230 1 13 . 1 1 14 14 CYS H H 14 7.543 7.543 7.438 0.105 19210 2231 1 13 . 1 1 15 15 ASP N N 15 120.797 120.797 125.001 -4.204 19210 2232 1 13 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.452 0.118 19210 2233 1 13 . 1 1 15 15 ASP H H 15 8.212 8.212 8.813 -0.601 19210 2234 1 13 . 1 1 16 16 ALA N N 16 130.631 130.631 129.328 1.303 19210 2235 1 13 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.022 0.126 19210 2236 1 13 . 1 1 16 16 ALA H H 16 8.996 8.996 8.630 0.366 19210 2237 1 13 . 1 1 17 17 ALA N N 17 104.931 104.931 122.073 -17.142 19210 2238 1 13 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.113 0.248 19210 2239 1 13 . 1 1 17 17 ALA H H 17 8.669 8.669 8.248 0.421 19210 2240 1 13 . 1 1 18 18 THR N N 18 104.831 104.831 111.939 -7.108 19210 2241 1 13 . 1 1 18 18 THR HA H 18 4.445 4.445 4.394 0.051 19210 2242 1 13 . 1 1 18 18 THR H H 18 7.743 7.743 8.097 -0.354 19210 2243 1 13 . 1 1 19 19 CYS N N 19 118.516 118.516 115.685 2.831 19210 2244 1 13 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.147 0.495 19210 2245 1 13 . 1 1 19 19 CYS H H 19 8.601 8.601 7.607 0.994 19210 2246 1 13 . 1 1 20 20 LYS N N 20 117.755 117.755 118.195 -0.440 19210 2247 1 13 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.623 0.322 19210 2248 1 13 . 1 1 20 20 LYS H H 20 7.964 7.964 7.394 0.570 19210 2249 1 13 . 1 1 21 21 LEU N N 21 119.922 119.922 121.528 -1.606 19210 2250 1 13 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.453 -0.168 19210 2251 1 13 . 1 1 21 21 LEU H H 21 9.211 9.211 8.536 0.675 19210 2252 1 13 . 1 1 22 22 ARG N N 22 121.994 121.994 125.678 -3.684 19210 2253 1 13 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.309 0.139 19210 2254 1 13 . 1 1 22 22 ARG H H 22 8.490 8.490 8.029 0.461 19210 2255 1 13 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.535 -0.146 19210 2256 1 13 . 1 1 24 24 GLY N N 24 113.118 113.118 106.438 6.680 19210 2257 1 13 . 1 1 24 24 GLY H H 24 8.830 8.830 8.233 0.597 19210 2258 1 13 . 1 1 25 25 ALA N N 25 122.763 122.763 122.011 0.752 19210 2259 1 13 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.130 0.410 19210 2260 1 13 . 1 1 25 25 ALA H H 25 7.942 7.942 7.454 0.488 19210 2261 1 13 . 1 1 26 26 GLN N N 26 117.396 117.396 120.011 -2.615 19210 2262 1 13 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.095 0.018 19210 2263 1 13 . 1 1 26 26 GLN H H 26 8.827 8.827 8.195 0.632 19210 2264 1 13 . 1 1 27 27 CYS N N 27 112.799 112.799 112.933 -0.134 19210 2265 1 13 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.701 -0.146 19210 2266 1 13 . 1 1 27 27 CYS H H 27 7.805 7.805 7.485 0.320 19210 2267 1 13 . 1 1 28 28 GLY N N 28 104.351 104.351 109.781 -5.430 19210 2268 1 13 . 1 1 28 28 GLY H H 28 9.163 9.163 8.675 0.488 19210 2269 1 13 . 1 1 29 29 GLU N N 29 117.534 117.534 117.671 -0.137 19210 2270 1 13 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.448 0.334 19210 2271 1 13 . 1 1 29 29 GLU H H 29 7.844 7.844 7.602 0.242 19210 2272 1 13 . 1 1 30 30 GLY N N 30 107.933 107.933 108.156 -0.223 19210 2273 1 13 . 1 1 30 30 GLY H H 30 8.391 8.391 7.910 0.481 19210 2274 1 13 . 1 1 31 31 LEU N N 31 120.439 120.439 120.874 -0.435 19210 2275 1 13 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.416 -0.062 19210 2276 1 13 . 1 1 31 31 LEU H H 31 8.960 8.960 8.244 0.716 19210 2277 1 13 . 1 1 32 32 CYS N N 32 114.457 114.457 115.202 -0.745 19210 2278 1 13 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.602 0.506 19210 2279 1 13 . 1 1 32 32 CYS H H 32 8.467 8.467 7.990 0.477 19210 2280 1 13 . 1 1 33 33 CYS N N 33 120.753 120.753 121.000 -0.247 19210 2281 1 13 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.413 -0.122 19210 2282 1 13 . 1 1 33 33 CYS H H 33 7.365 7.365 7.750 -0.385 19210 2283 1 13 . 1 1 34 34 GLU N N 34 128.062 128.062 128.252 -0.190 19210 2284 1 13 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.629 0.053 19210 2285 1 13 . 1 1 34 34 GLU H H 34 9.742 9.742 8.377 1.365 19210 2286 1 13 . 1 1 35 35 GLN N N 35 124.793 124.793 122.278 2.515 19210 2287 1 13 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.958 0.041 19210 2288 1 13 . 1 1 35 35 GLN H H 35 9.453 9.453 9.133 0.320 19210 2289 1 13 . 1 1 36 36 CYS N N 36 104.799 104.799 111.905 -7.106 19210 2290 1 13 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.219 0.582 19210 2291 1 13 . 1 1 36 36 CYS H H 36 8.492 8.492 8.567 -0.075 19210 2292 1 13 . 1 1 37 37 LYS N N 37 120.580 120.580 118.257 2.323 19210 2293 1 13 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.496 0.207 19210 2294 1 13 . 1 1 37 37 LYS H H 37 8.024 8.024 7.804 0.220 19210 2295 1 13 . 1 1 38 38 PHE N N 38 119.267 119.267 119.177 0.090 19210 2296 1 13 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.539 0.602 19210 2297 1 13 . 1 1 38 38 PHE H H 38 8.276 8.276 8.431 -0.155 19210 2298 1 13 . 1 1 39 39 SER N N 39 120.055 120.055 119.420 0.635 19210 2299 1 13 . 1 1 39 39 SER HA H 39 4.274 4.274 4.423 -0.149 19210 2300 1 13 . 1 1 39 39 SER H H 39 9.044 9.044 9.279 -0.235 19210 2301 1 13 . 1 1 40 40 ARG N N 40 121.118 121.118 121.914 -0.796 19210 2302 1 13 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.227 -0.126 19210 2303 1 13 . 1 1 40 40 ARG H H 40 8.573 8.573 8.588 -0.015 19210 2304 1 13 . 1 1 41 41 ALA N N 41 123.139 123.139 121.626 1.513 19210 2305 1 13 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.488 -0.764 19210 2306 1 13 . 1 1 41 41 ALA H H 41 8.501 8.501 8.113 0.388 19210 2307 1 13 . 1 1 42 42 GLY N N 42 109.789 109.789 108.875 0.914 19210 2308 1 13 . 1 1 42 42 GLY H H 42 8.619 8.619 9.023 -0.404 19210 2309 1 13 . 1 1 43 43 LYS N N 43 122.160 122.160 120.151 2.009 19210 2310 1 13 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.392 -0.243 19210 2311 1 13 . 1 1 43 43 LYS H H 43 7.535 7.535 7.391 0.144 19210 2312 1 13 . 1 1 44 44 ILE N N 44 128.214 128.214 130.021 -1.807 19210 2313 1 13 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.276 -0.158 19210 2314 1 13 . 1 1 44 44 ILE H H 44 8.902 8.902 8.677 0.225 19210 2315 1 13 . 1 1 45 45 CYS N N 45 123.076 123.076 125.431 -2.355 19210 2316 1 13 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.514 0.677 19210 2317 1 13 . 1 1 45 45 CYS H H 45 9.417 9.417 9.232 0.185 19210 2318 1 13 . 1 1 46 46 ARG N N 46 122.593 122.593 119.406 3.187 19210 2319 1 13 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.584 -0.109 19210 2320 1 13 . 1 1 46 46 ARG H H 46 7.611 7.611 7.468 0.143 19210 2321 1 13 . 1 1 47 47 ILE N N 47 126.701 126.701 123.872 2.829 19210 2322 1 13 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.282 0.006 19210 2323 1 13 . 1 1 47 47 ILE H H 47 8.517 8.517 8.502 0.015 19210 2324 1 13 . 1 1 48 48 ALA N N 48 130.503 130.503 131.013 -0.510 19210 2325 1 13 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.539 -0.216 19210 2326 1 13 . 1 1 48 48 ALA H H 48 9.374 9.374 8.385 0.989 19210 2327 1 13 . 1 1 49 49 ARG N N 49 118.315 118.315 126.292 -7.977 19210 2328 1 13 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.381 0.017 19210 2329 1 13 . 1 1 49 49 ARG H H 49 8.331 8.331 9.084 -0.753 19210 2330 1 13 . 1 1 50 50 GLY N N 50 109.557 109.557 113.788 -4.231 19210 2331 1 13 . 1 1 50 50 GLY H H 50 8.426 8.426 8.120 0.306 19210 2332 1 13 . 1 1 51 51 ASP N N 51 120.231 120.231 118.907 1.324 19210 2333 1 13 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.451 0.208 19210 2334 1 13 . 1 1 51 51 ASP H H 51 8.610 8.610 6.079 2.531 19210 2335 1 13 . 1 1 52 52 TRP N N 52 118.920 118.920 120.598 -1.678 19210 2336 1 13 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.785 0.011 19210 2337 1 13 . 1 1 52 52 TRP H H 52 7.862 7.862 7.289 0.573 19210 2338 1 13 . 1 1 53 53 ASN N N 53 116.604 116.604 121.429 -4.825 19210 2339 1 13 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.909 -0.109 19210 2340 1 13 . 1 1 53 53 ASN H H 53 8.325 8.325 8.625 -0.300 19210 2341 1 13 . 1 1 54 54 ASP N N 54 119.405 119.405 122.931 -3.526 19210 2342 1 13 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.409 0.295 19210 2343 1 13 . 1 1 54 54 ASP H H 54 8.186 8.186 8.644 -0.458 19210 2344 1 13 . 1 1 55 55 ASP N N 55 120.911 120.911 120.912 -0.001 19210 2345 1 13 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.934 0.117 19210 2346 1 13 . 1 1 55 55 ASP H H 55 8.640 8.640 8.194 0.446 19210 2347 1 13 . 1 1 56 56 ARG N N 56 119.204 119.204 124.617 -5.413 19210 2348 1 13 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.607 0.734 19210 2349 1 13 . 1 1 56 56 ARG H H 56 8.234 8.234 8.000 0.234 19210 2350 1 13 . 1 1 57 57 CYS N N 57 119.250 119.250 123.366 -4.116 19210 2351 1 13 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.642 0.242 19210 2352 1 13 . 1 1 57 57 CYS H H 57 9.344 9.344 8.352 0.992 19210 2353 1 13 . 1 1 58 58 THR N N 58 112.882 112.882 113.165 -0.283 19210 2354 1 13 . 1 1 58 58 THR HA H 58 4.442 4.442 4.145 0.297 19210 2355 1 13 . 1 1 58 58 THR H H 58 10.180 10.180 8.788 1.392 19210 2356 1 13 . 1 1 59 59 GLY N N 59 111.190 111.190 108.882 2.308 19210 2357 1 13 . 1 1 59 59 GLY H H 59 8.546 8.546 8.245 0.301 19210 2358 1 13 . 1 1 60 60 GLN N N 60 114.377 114.377 119.293 -4.916 19210 2359 1 13 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.998 0.300 19210 2360 1 13 . 1 1 60 60 GLN H H 60 7.986 7.986 7.577 0.409 19210 2361 1 13 . 1 1 61 61 SER N N 61 110.403 110.403 114.589 -4.186 19210 2362 1 13 . 1 1 61 61 SER HA H 61 3.880 3.880 4.209 -0.329 19210 2363 1 13 . 1 1 61 61 SER H H 61 6.630 6.630 7.246 -0.616 19210 2364 1 13 . 1 1 62 62 ALA N N 62 125.118 125.118 128.086 -2.968 19210 2365 1 13 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.528 -0.093 19210 2366 1 13 . 1 1 62 62 ALA H H 62 9.027 9.027 8.699 0.328 19210 2367 1 13 . 1 1 63 63 ASP N N 63 116.936 116.936 119.433 -2.497 19210 2368 1 13 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.749 0.146 19210 2369 1 13 . 1 1 63 63 ASP H H 63 8.080 8.080 8.081 -0.001 19210 2370 1 13 . 1 1 64 64 CYS N N 64 121.286 121.286 125.763 -4.477 19210 2371 1 13 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.479 0.924 19210 2372 1 13 . 1 1 64 64 CYS H H 64 8.924 8.924 8.263 0.661 19210 2373 1 13 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.480 -0.105 19210 2374 1 13 . 1 1 66 66 ARG N N 66 118.950 118.950 117.241 1.709 19210 2375 1 13 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.120 0.242 19210 2376 1 13 . 1 1 66 66 ARG H H 66 8.203 8.203 8.124 0.079 19210 2377 1 13 . 1 1 67 67 TYR N N 67 123.890 123.890 122.907 0.983 19210 2378 1 13 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.506 -0.047 19210 2379 1 13 . 1 1 67 67 TYR H H 67 8.650 8.650 7.902 0.748 19210 2380 1 14 . 1 1 2 2 LYS N N 2 120.685 120.685 121.841 -1.156 19210 2381 1 14 . 1 1 2 2 LYS H H 2 8.331 8.331 8.115 0.216 19210 2382 1 14 . 1 1 3 3 GLU N N 3 120.726 120.726 122.966 -2.240 19210 2383 1 14 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.514 -0.192 19210 2384 1 14 . 1 1 3 3 GLU H H 3 8.659 8.659 8.661 -0.002 19210 2385 1 14 . 1 1 4 4 CYS N N 4 119.143 119.143 120.924 -1.781 19210 2386 1 14 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.905 0.070 19210 2387 1 14 . 1 1 4 4 CYS H H 4 8.116 8.116 8.187 -0.071 19210 2388 1 14 . 1 1 5 5 ASP N N 5 119.126 119.126 122.710 -3.584 19210 2389 1 14 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.680 0.137 19210 2390 1 14 . 1 1 5 5 ASP H H 5 8.776 8.776 8.431 0.345 19210 2391 1 14 . 1 1 6 6 CYS N N 6 112.124 112.124 116.048 -3.924 19210 2392 1 14 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.769 0.162 19210 2393 1 14 . 1 1 6 6 CYS H H 6 6.975 6.975 7.302 -0.327 19210 2394 1 14 . 1 1 7 7 SER N N 7 118.845 118.845 117.119 1.726 19210 2395 1 14 . 1 1 7 7 SER HA H 7 4.226 4.226 4.526 -0.300 19210 2396 1 14 . 1 1 7 7 SER H H 7 9.659 9.659 8.704 0.955 19210 2397 1 14 . 1 1 8 8 SER N N 8 115.212 115.212 117.641 -2.429 19210 2398 1 14 . 1 1 8 8 SER HA H 8 5.137 5.137 4.907 0.230 19210 2399 1 14 . 1 1 8 8 SER H H 8 7.862 7.862 7.650 0.212 19210 2400 1 14 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.524 0.035 19210 2401 1 14 . 1 1 10 10 GLU N N 10 116.255 116.255 116.179 0.076 19210 2402 1 14 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.389 -0.095 19210 2403 1 14 . 1 1 10 10 GLU H H 10 8.244 8.244 8.049 0.195 19210 2404 1 14 . 1 1 11 11 ASN N N 11 120.176 120.176 119.959 0.217 19210 2405 1 14 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.774 0.020 19210 2406 1 14 . 1 1 11 11 ASN H H 11 7.260 7.260 7.529 -0.269 19210 2407 1 14 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.432 0.272 19210 2408 1 14 . 1 1 13 13 CYS N N 13 117.315 117.315 117.594 -0.279 19210 2409 1 14 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.540 0.108 19210 2410 1 14 . 1 1 13 13 CYS H H 13 8.931 8.931 8.529 0.402 19210 2411 1 14 . 1 1 14 14 CYS N N 14 111.828 111.828 116.526 -4.698 19210 2412 1 14 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.581 0.475 19210 2413 1 14 . 1 1 14 14 CYS H H 14 7.543 7.543 7.778 -0.235 19210 2414 1 14 . 1 1 15 15 ASP N N 15 120.797 120.797 121.445 -0.648 19210 2415 1 14 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.881 -0.311 19210 2416 1 14 . 1 1 15 15 ASP H H 15 8.212 8.212 8.739 -0.527 19210 2417 1 14 . 1 1 16 16 ALA N N 16 130.631 130.631 127.890 2.741 19210 2418 1 14 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.111 0.037 19210 2419 1 14 . 1 1 16 16 ALA H H 16 8.996 8.996 8.641 0.355 19210 2420 1 14 . 1 1 17 17 ALA N N 17 104.931 104.931 122.410 -17.479 19210 2421 1 14 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.006 0.355 19210 2422 1 14 . 1 1 17 17 ALA H H 17 8.669 8.669 8.541 0.128 19210 2423 1 14 . 1 1 18 18 THR N N 18 104.831 104.831 107.701 -2.870 19210 2424 1 14 . 1 1 18 18 THR HA H 18 4.445 4.445 4.229 0.216 19210 2425 1 14 . 1 1 18 18 THR H H 18 7.743 7.743 7.823 -0.080 19210 2426 1 14 . 1 1 19 19 CYS N N 19 118.516 118.516 120.343 -1.827 19210 2427 1 14 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.138 0.504 19210 2428 1 14 . 1 1 19 19 CYS H H 19 8.601 8.601 7.672 0.929 19210 2429 1 14 . 1 1 20 20 LYS N N 20 117.755 117.755 117.244 0.511 19210 2430 1 14 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.634 0.311 19210 2431 1 14 . 1 1 20 20 LYS H H 20 7.964 7.964 7.567 0.397 19210 2432 1 14 . 1 1 21 21 LEU N N 21 119.922 119.922 121.962 -2.040 19210 2433 1 14 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.276 0.009 19210 2434 1 14 . 1 1 21 21 LEU H H 21 9.211 9.211 8.782 0.429 19210 2435 1 14 . 1 1 22 22 ARG N N 22 121.994 121.994 125.429 -3.435 19210 2436 1 14 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.365 0.083 19210 2437 1 14 . 1 1 22 22 ARG H H 22 8.490 8.490 8.017 0.473 19210 2438 1 14 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.566 -0.177 19210 2439 1 14 . 1 1 24 24 GLY N N 24 113.118 113.118 106.021 7.097 19210 2440 1 14 . 1 1 24 24 GLY H H 24 8.830 8.830 8.257 0.573 19210 2441 1 14 . 1 1 25 25 ALA N N 25 122.763 122.763 120.948 1.815 19210 2442 1 14 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.219 0.321 19210 2443 1 14 . 1 1 25 25 ALA H H 25 7.942 7.942 7.345 0.597 19210 2444 1 14 . 1 1 26 26 GLN N N 26 117.396 117.396 119.990 -2.594 19210 2445 1 14 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.026 0.087 19210 2446 1 14 . 1 1 26 26 GLN H H 26 8.827 8.827 8.487 0.340 19210 2447 1 14 . 1 1 27 27 CYS N N 27 112.799 112.799 116.428 -3.629 19210 2448 1 14 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.676 -0.121 19210 2449 1 14 . 1 1 27 27 CYS H H 27 7.805 7.805 7.390 0.415 19210 2450 1 14 . 1 1 28 28 GLY N N 28 104.351 104.351 110.840 -6.489 19210 2451 1 14 . 1 1 28 28 GLY H H 28 9.163 9.163 8.997 0.166 19210 2452 1 14 . 1 1 29 29 GLU N N 29 117.534 117.534 117.389 0.145 19210 2453 1 14 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.489 0.293 19210 2454 1 14 . 1 1 29 29 GLU H H 29 7.844 7.844 7.638 0.206 19210 2455 1 14 . 1 1 30 30 GLY N N 30 107.933 107.933 108.052 -0.119 19210 2456 1 14 . 1 1 30 30 GLY H H 30 8.391 8.391 7.918 0.473 19210 2457 1 14 . 1 1 31 31 LEU N N 31 120.439 120.439 121.051 -0.612 19210 2458 1 14 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.254 0.100 19210 2459 1 14 . 1 1 31 31 LEU H H 31 8.960 8.960 8.429 0.531 19210 2460 1 14 . 1 1 32 32 CYS N N 32 114.457 114.457 119.285 -4.828 19210 2461 1 14 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.589 0.519 19210 2462 1 14 . 1 1 32 32 CYS H H 32 8.467 8.467 8.713 -0.246 19210 2463 1 14 . 1 1 33 33 CYS N N 33 120.753 120.753 122.083 -1.330 19210 2464 1 14 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.598 -0.307 19210 2465 1 14 . 1 1 33 33 CYS H H 33 7.365 7.365 8.175 -0.810 19210 2466 1 14 . 1 1 34 34 GLU N N 34 128.062 128.062 124.841 3.221 19210 2467 1 14 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.430 0.252 19210 2468 1 14 . 1 1 34 34 GLU H H 34 9.742 9.742 8.363 1.379 19210 2469 1 14 . 1 1 35 35 GLN N N 35 124.793 124.793 125.411 -0.618 19210 2470 1 14 . 1 1 35 35 GLN HA H 35 3.999 3.999 4.033 -0.034 19210 2471 1 14 . 1 1 35 35 GLN H H 35 9.453 9.453 9.024 0.429 19210 2472 1 14 . 1 1 36 36 CYS N N 36 104.799 104.799 114.508 -9.709 19210 2473 1 14 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.321 0.480 19210 2474 1 14 . 1 1 36 36 CYS H H 36 8.492 8.492 8.567 -0.075 19210 2475 1 14 . 1 1 37 37 LYS N N 37 120.580 120.580 117.727 2.853 19210 2476 1 14 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.528 0.175 19210 2477 1 14 . 1 1 37 37 LYS H H 37 8.024 8.024 7.164 0.860 19210 2478 1 14 . 1 1 38 38 PHE N N 38 119.267 119.267 119.889 -0.622 19210 2479 1 14 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.977 0.164 19210 2480 1 14 . 1 1 38 38 PHE H H 38 8.276 8.276 8.574 -0.298 19210 2481 1 14 . 1 1 39 39 SER N N 39 120.055 120.055 121.980 -1.925 19210 2482 1 14 . 1 1 39 39 SER HA H 39 4.274 4.274 4.378 -0.104 19210 2483 1 14 . 1 1 39 39 SER H H 39 9.044 9.044 8.816 0.228 19210 2484 1 14 . 1 1 40 40 ARG N N 40 121.118 121.118 119.307 1.811 19210 2485 1 14 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.468 -0.367 19210 2486 1 14 . 1 1 40 40 ARG H H 40 8.573 8.573 8.213 0.360 19210 2487 1 14 . 1 1 41 41 ALA N N 41 123.139 123.139 122.278 0.861 19210 2488 1 14 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.491 -0.767 19210 2489 1 14 . 1 1 41 41 ALA H H 41 8.501 8.501 8.140 0.361 19210 2490 1 14 . 1 1 42 42 GLY N N 42 109.789 109.789 108.211 1.578 19210 2491 1 14 . 1 1 42 42 GLY H H 42 8.619 8.619 8.751 -0.132 19210 2492 1 14 . 1 1 43 43 LYS N N 43 122.160 122.160 120.729 1.431 19210 2493 1 14 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.517 -0.368 19210 2494 1 14 . 1 1 43 43 LYS H H 43 7.535 7.535 7.291 0.244 19210 2495 1 14 . 1 1 44 44 ILE N N 44 128.214 128.214 129.330 -1.116 19210 2496 1 14 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.305 -0.187 19210 2497 1 14 . 1 1 44 44 ILE H H 44 8.902 8.902 8.753 0.149 19210 2498 1 14 . 1 1 45 45 CYS N N 45 123.076 123.076 123.818 -0.742 19210 2499 1 14 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.529 0.662 19210 2500 1 14 . 1 1 45 45 CYS H H 45 9.417 9.417 8.496 0.921 19210 2501 1 14 . 1 1 46 46 ARG N N 46 122.593 122.593 118.113 4.480 19210 2502 1 14 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.551 -0.076 19210 2503 1 14 . 1 1 46 46 ARG H H 46 7.611 7.611 7.340 0.271 19210 2504 1 14 . 1 1 47 47 ILE N N 47 126.701 126.701 122.090 4.611 19210 2505 1 14 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.395 -0.107 19210 2506 1 14 . 1 1 47 47 ILE H H 47 8.517 8.517 8.542 -0.025 19210 2507 1 14 . 1 1 48 48 ALA N N 48 130.503 130.503 130.826 -0.323 19210 2508 1 14 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.396 -0.073 19210 2509 1 14 . 1 1 48 48 ALA H H 48 9.374 9.374 8.247 1.127 19210 2510 1 14 . 1 1 49 49 ARG N N 49 118.315 118.315 122.022 -3.707 19210 2511 1 14 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.551 -0.153 19210 2512 1 14 . 1 1 49 49 ARG H H 49 8.331 8.331 8.885 -0.554 19210 2513 1 14 . 1 1 50 50 GLY N N 50 109.557 109.557 113.033 -3.476 19210 2514 1 14 . 1 1 50 50 GLY H H 50 8.426 8.426 8.476 -0.050 19210 2515 1 14 . 1 1 51 51 ASP N N 51 120.231 120.231 119.770 0.461 19210 2516 1 14 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.590 0.069 19210 2517 1 14 . 1 1 51 51 ASP H H 51 8.610 8.610 6.988 1.622 19210 2518 1 14 . 1 1 52 52 TRP N N 52 118.920 118.920 120.262 -1.342 19210 2519 1 14 . 1 1 52 52 TRP HA H 52 4.796 4.796 5.077 -0.281 19210 2520 1 14 . 1 1 52 52 TRP H H 52 7.862 7.862 7.063 0.799 19210 2521 1 14 . 1 1 53 53 ASN N N 53 116.604 116.604 119.892 -3.288 19210 2522 1 14 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.748 0.052 19210 2523 1 14 . 1 1 53 53 ASN H H 53 8.325 8.325 8.489 -0.164 19210 2524 1 14 . 1 1 54 54 ASP N N 54 119.405 119.405 119.568 -0.163 19210 2525 1 14 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.745 -0.041 19210 2526 1 14 . 1 1 54 54 ASP H H 54 8.186 8.186 8.453 -0.267 19210 2527 1 14 . 1 1 55 55 ASP N N 55 120.911 120.911 120.499 0.412 19210 2528 1 14 . 1 1 55 55 ASP HA H 55 5.051 5.051 5.029 0.022 19210 2529 1 14 . 1 1 55 55 ASP H H 55 8.640 8.640 8.232 0.408 19210 2530 1 14 . 1 1 56 56 ARG N N 56 119.204 119.204 123.131 -3.927 19210 2531 1 14 . 1 1 56 56 ARG HA H 56 5.341 5.341 5.002 0.339 19210 2532 1 14 . 1 1 56 56 ARG H H 56 8.234 8.234 8.385 -0.151 19210 2533 1 14 . 1 1 57 57 CYS N N 57 119.250 119.250 124.289 -5.039 19210 2534 1 14 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.350 0.534 19210 2535 1 14 . 1 1 57 57 CYS H H 57 9.344 9.344 8.870 0.474 19210 2536 1 14 . 1 1 58 58 THR N N 58 112.882 112.882 112.402 0.480 19210 2537 1 14 . 1 1 58 58 THR HA H 58 4.442 4.442 4.264 0.178 19210 2538 1 14 . 1 1 58 58 THR H H 58 10.180 10.180 8.823 1.357 19210 2539 1 14 . 1 1 59 59 GLY N N 59 111.190 111.190 109.961 1.229 19210 2540 1 14 . 1 1 59 59 GLY H H 59 8.546 8.546 7.873 0.673 19210 2541 1 14 . 1 1 60 60 GLN N N 60 114.377 114.377 118.868 -4.491 19210 2542 1 14 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.628 -0.330 19210 2543 1 14 . 1 1 60 60 GLN H H 60 7.986 7.986 7.704 0.282 19210 2544 1 14 . 1 1 61 61 SER N N 61 110.403 110.403 115.773 -5.370 19210 2545 1 14 . 1 1 61 61 SER HA H 61 3.880 3.880 4.207 -0.327 19210 2546 1 14 . 1 1 61 61 SER H H 61 6.630 6.630 7.321 -0.691 19210 2547 1 14 . 1 1 62 62 ALA N N 62 125.118 125.118 127.228 -2.110 19210 2548 1 14 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.079 0.356 19210 2549 1 14 . 1 1 62 62 ALA H H 62 9.027 9.027 8.000 1.027 19210 2550 1 14 . 1 1 63 63 ASP N N 63 116.936 116.936 116.031 0.905 19210 2551 1 14 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.661 0.234 19210 2552 1 14 . 1 1 63 63 ASP H H 63 8.080 8.080 7.923 0.157 19210 2553 1 14 . 1 1 64 64 CYS N N 64 121.286 121.286 119.141 2.145 19210 2554 1 14 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.712 0.691 19210 2555 1 14 . 1 1 64 64 CYS H H 64 8.924 8.924 8.289 0.635 19210 2556 1 14 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.384 -0.009 19210 2557 1 14 . 1 1 66 66 ARG N N 66 118.950 118.950 119.634 -0.684 19210 2558 1 14 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.152 0.210 19210 2559 1 14 . 1 1 66 66 ARG H H 66 8.203 8.203 8.037 0.166 19210 2560 1 14 . 1 1 67 67 TYR N N 67 123.890 123.890 119.080 4.810 19210 2561 1 14 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.438 0.021 19210 2562 1 14 . 1 1 67 67 TYR H H 67 8.650 8.650 8.383 0.267 19210 2563 1 15 . 1 1 2 2 LYS N N 2 120.685 120.685 121.075 -0.390 19210 2564 1 15 . 1 1 2 2 LYS H H 2 8.331 8.331 8.302 0.029 19210 2565 1 15 . 1 1 3 3 GLU N N 3 120.726 120.726 117.994 2.732 19210 2566 1 15 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.328 -0.006 19210 2567 1 15 . 1 1 3 3 GLU H H 3 8.659 8.659 8.565 0.094 19210 2568 1 15 . 1 1 4 4 CYS N N 4 119.143 119.143 119.482 -0.339 19210 2569 1 15 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.625 0.350 19210 2570 1 15 . 1 1 4 4 CYS H H 4 8.116 8.116 7.771 0.345 19210 2571 1 15 . 1 1 5 5 ASP N N 5 119.126 119.126 124.414 -5.288 19210 2572 1 15 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.977 -0.160 19210 2573 1 15 . 1 1 5 5 ASP H H 5 8.776 8.776 9.312 -0.536 19210 2574 1 15 . 1 1 6 6 CYS N N 6 112.124 112.124 117.118 -4.994 19210 2575 1 15 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.752 0.179 19210 2576 1 15 . 1 1 6 6 CYS H H 6 6.975 6.975 7.626 -0.651 19210 2577 1 15 . 1 1 7 7 SER N N 7 118.845 118.845 117.705 1.140 19210 2578 1 15 . 1 1 7 7 SER HA H 7 4.226 4.226 4.551 -0.325 19210 2579 1 15 . 1 1 7 7 SER H H 7 9.659 9.659 8.609 1.050 19210 2580 1 15 . 1 1 8 8 SER N N 8 115.212 115.212 117.075 -1.863 19210 2581 1 15 . 1 1 8 8 SER HA H 8 5.137 5.137 4.877 0.260 19210 2582 1 15 . 1 1 8 8 SER H H 8 7.862 7.862 7.517 0.345 19210 2583 1 15 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.536 0.023 19210 2584 1 15 . 1 1 10 10 GLU N N 10 116.255 116.255 115.794 0.461 19210 2585 1 15 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.191 0.103 19210 2586 1 15 . 1 1 10 10 GLU H H 10 8.244 8.244 8.424 -0.180 19210 2587 1 15 . 1 1 11 11 ASN N N 11 120.176 120.176 120.275 -0.099 19210 2588 1 15 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.903 -0.109 19210 2589 1 15 . 1 1 11 11 ASN H H 11 7.260 7.260 7.515 -0.255 19210 2590 1 15 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.493 0.211 19210 2591 1 15 . 1 1 13 13 CYS N N 13 117.315 117.315 117.268 0.047 19210 2592 1 15 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.434 0.214 19210 2593 1 15 . 1 1 13 13 CYS H H 13 8.931 8.931 8.806 0.125 19210 2594 1 15 . 1 1 14 14 CYS N N 14 111.828 111.828 117.901 -6.073 19210 2595 1 15 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.985 0.071 19210 2596 1 15 . 1 1 14 14 CYS H H 14 7.543 7.543 7.448 0.095 19210 2597 1 15 . 1 1 15 15 ASP N N 15 120.797 120.797 124.748 -3.951 19210 2598 1 15 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.453 0.117 19210 2599 1 15 . 1 1 15 15 ASP H H 15 8.212 8.212 8.355 -0.143 19210 2600 1 15 . 1 1 16 16 ALA N N 16 130.631 130.631 130.200 0.431 19210 2601 1 15 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.021 0.127 19210 2602 1 15 . 1 1 16 16 ALA H H 16 8.996 8.996 8.543 0.453 19210 2603 1 15 . 1 1 17 17 ALA N N 17 104.931 104.931 122.209 -17.278 19210 2604 1 15 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.038 0.323 19210 2605 1 15 . 1 1 17 17 ALA H H 17 8.669 8.669 8.182 0.487 19210 2606 1 15 . 1 1 18 18 THR N N 18 104.831 104.831 111.156 -6.325 19210 2607 1 15 . 1 1 18 18 THR HA H 18 4.445 4.445 4.391 0.054 19210 2608 1 15 . 1 1 18 18 THR H H 18 7.743 7.743 7.666 0.077 19210 2609 1 15 . 1 1 19 19 CYS N N 19 118.516 118.516 119.297 -0.781 19210 2610 1 15 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.106 0.536 19210 2611 1 15 . 1 1 19 19 CYS H H 19 8.601 8.601 8.686 -0.085 19210 2612 1 15 . 1 1 20 20 LYS N N 20 117.755 117.755 117.688 0.067 19210 2613 1 15 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.685 0.260 19210 2614 1 15 . 1 1 20 20 LYS H H 20 7.964 7.964 7.489 0.475 19210 2615 1 15 . 1 1 21 21 LEU N N 21 119.922 119.922 120.684 -0.762 19210 2616 1 15 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.333 -0.048 19210 2617 1 15 . 1 1 21 21 LEU H H 21 9.211 9.211 8.549 0.662 19210 2618 1 15 . 1 1 22 22 ARG N N 22 121.994 121.994 126.670 -4.676 19210 2619 1 15 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.417 0.031 19210 2620 1 15 . 1 1 22 22 ARG H H 22 8.490 8.490 8.200 0.290 19210 2621 1 15 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.542 -0.153 19210 2622 1 15 . 1 1 24 24 GLY N N 24 113.118 113.118 105.862 7.256 19210 2623 1 15 . 1 1 24 24 GLY H H 24 8.830 8.830 8.287 0.543 19210 2624 1 15 . 1 1 25 25 ALA N N 25 122.763 122.763 121.614 1.149 19210 2625 1 15 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.122 0.418 19210 2626 1 15 . 1 1 25 25 ALA H H 25 7.942 7.942 7.363 0.579 19210 2627 1 15 . 1 1 26 26 GLN N N 26 117.396 117.396 120.494 -3.098 19210 2628 1 15 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.947 0.166 19210 2629 1 15 . 1 1 26 26 GLN H H 26 8.827 8.827 8.308 0.519 19210 2630 1 15 . 1 1 27 27 CYS N N 27 112.799 112.799 111.232 1.567 19210 2631 1 15 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.853 -0.298 19210 2632 1 15 . 1 1 27 27 CYS H H 27 7.805 7.805 7.357 0.448 19210 2633 1 15 . 1 1 28 28 GLY N N 28 104.351 104.351 108.920 -4.569 19210 2634 1 15 . 1 1 28 28 GLY H H 28 9.163 9.163 8.853 0.310 19210 2635 1 15 . 1 1 29 29 GLU N N 29 117.534 117.534 117.457 0.077 19210 2636 1 15 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.550 0.232 19210 2637 1 15 . 1 1 29 29 GLU H H 29 7.844 7.844 7.742 0.102 19210 2638 1 15 . 1 1 30 30 GLY N N 30 107.933 107.933 107.426 0.507 19210 2639 1 15 . 1 1 30 30 GLY H H 30 8.391 8.391 7.985 0.406 19210 2640 1 15 . 1 1 31 31 LEU N N 31 120.439 120.439 120.965 -0.526 19210 2641 1 15 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.483 -0.129 19210 2642 1 15 . 1 1 31 31 LEU H H 31 8.960 8.960 8.135 0.825 19210 2643 1 15 . 1 1 32 32 CYS N N 32 114.457 114.457 117.843 -3.386 19210 2644 1 15 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.632 0.476 19210 2645 1 15 . 1 1 32 32 CYS H H 32 8.467 8.467 7.627 0.840 19210 2646 1 15 . 1 1 33 33 CYS N N 33 120.753 120.753 122.423 -1.670 19210 2647 1 15 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.035 0.256 19210 2648 1 15 . 1 1 33 33 CYS H H 33 7.365 7.365 8.274 -0.909 19210 2649 1 15 . 1 1 34 34 GLU N N 34 128.062 128.062 128.605 -0.543 19210 2650 1 15 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.584 0.098 19210 2651 1 15 . 1 1 34 34 GLU H H 34 9.742 9.742 8.691 1.051 19210 2652 1 15 . 1 1 35 35 GLN N N 35 124.793 124.793 124.786 0.007 19210 2653 1 15 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.972 0.027 19210 2654 1 15 . 1 1 35 35 GLN H H 35 9.453 9.453 9.168 0.285 19210 2655 1 15 . 1 1 36 36 CYS N N 36 104.799 104.799 113.185 -8.386 19210 2656 1 15 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.153 0.648 19210 2657 1 15 . 1 1 36 36 CYS H H 36 8.492 8.492 8.561 -0.069 19210 2658 1 15 . 1 1 37 37 LYS N N 37 120.580 120.580 117.558 3.022 19210 2659 1 15 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.481 0.222 19210 2660 1 15 . 1 1 37 37 LYS H H 37 8.024 8.024 7.589 0.435 19210 2661 1 15 . 1 1 38 38 PHE N N 38 119.267 119.267 119.380 -0.113 19210 2662 1 15 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.751 0.390 19210 2663 1 15 . 1 1 38 38 PHE H H 38 8.276 8.276 8.449 -0.173 19210 2664 1 15 . 1 1 39 39 SER N N 39 120.055 120.055 119.254 0.801 19210 2665 1 15 . 1 1 39 39 SER HA H 39 4.274 4.274 4.435 -0.161 19210 2666 1 15 . 1 1 39 39 SER H H 39 9.044 9.044 8.540 0.504 19210 2667 1 15 . 1 1 40 40 ARG N N 40 121.118 121.118 118.894 2.224 19210 2668 1 15 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.483 -0.382 19210 2669 1 15 . 1 1 40 40 ARG H H 40 8.573 8.573 8.264 0.309 19210 2670 1 15 . 1 1 41 41 ALA N N 41 123.139 123.139 122.186 0.953 19210 2671 1 15 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.374 -0.650 19210 2672 1 15 . 1 1 41 41 ALA H H 41 8.501 8.501 8.092 0.409 19210 2673 1 15 . 1 1 42 42 GLY N N 42 109.789 109.789 107.679 2.110 19210 2674 1 15 . 1 1 42 42 GLY H H 42 8.619 8.619 8.713 -0.094 19210 2675 1 15 . 1 1 43 43 LYS N N 43 122.160 122.160 120.634 1.526 19210 2676 1 15 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.506 -0.357 19210 2677 1 15 . 1 1 43 43 LYS H H 43 7.535 7.535 7.345 0.190 19210 2678 1 15 . 1 1 44 44 ILE N N 44 128.214 128.214 129.610 -1.396 19210 2679 1 15 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.300 -0.182 19210 2680 1 15 . 1 1 44 44 ILE H H 44 8.902 8.902 8.732 0.170 19210 2681 1 15 . 1 1 45 45 CYS N N 45 123.076 123.076 124.265 -1.189 19210 2682 1 15 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.364 0.827 19210 2683 1 15 . 1 1 45 45 CYS H H 45 9.417 9.417 8.714 0.703 19210 2684 1 15 . 1 1 46 46 ARG N N 46 122.593 122.593 118.657 3.936 19210 2685 1 15 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.509 -0.034 19210 2686 1 15 . 1 1 46 46 ARG H H 46 7.611 7.611 7.439 0.172 19210 2687 1 15 . 1 1 47 47 ILE N N 47 126.701 126.701 123.927 2.774 19210 2688 1 15 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.285 0.003 19210 2689 1 15 . 1 1 47 47 ILE H H 47 8.517 8.517 8.495 0.022 19210 2690 1 15 . 1 1 48 48 ALA N N 48 130.503 130.503 131.711 -1.208 19210 2691 1 15 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.349 -0.026 19210 2692 1 15 . 1 1 48 48 ALA H H 48 9.374 9.374 8.003 1.371 19210 2693 1 15 . 1 1 49 49 ARG N N 49 118.315 118.315 123.412 -5.097 19210 2694 1 15 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.620 -0.223 19210 2695 1 15 . 1 1 49 49 ARG H H 49 8.331 8.331 8.895 -0.564 19210 2696 1 15 . 1 1 50 50 GLY N N 50 109.557 109.557 113.382 -3.825 19210 2697 1 15 . 1 1 50 50 GLY H H 50 8.426 8.426 8.475 -0.049 19210 2698 1 15 . 1 1 51 51 ASP N N 51 120.231 120.231 119.511 0.720 19210 2699 1 15 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.655 0.004 19210 2700 1 15 . 1 1 51 51 ASP H H 51 8.610 8.610 6.858 1.752 19210 2701 1 15 . 1 1 52 52 TRP N N 52 118.920 118.920 119.103 -0.183 19210 2702 1 15 . 1 1 52 52 TRP HA H 52 4.796 4.796 5.057 -0.261 19210 2703 1 15 . 1 1 52 52 TRP H H 52 7.862 7.862 7.030 0.832 19210 2704 1 15 . 1 1 53 53 ASN N N 53 116.604 116.604 119.999 -3.395 19210 2705 1 15 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.867 -0.067 19210 2706 1 15 . 1 1 53 53 ASN H H 53 8.325 8.325 8.550 -0.225 19210 2707 1 15 . 1 1 54 54 ASP N N 54 119.405 119.405 120.739 -1.334 19210 2708 1 15 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.731 -0.027 19210 2709 1 15 . 1 1 54 54 ASP H H 54 8.186 8.186 8.394 -0.208 19210 2710 1 15 . 1 1 55 55 ASP N N 55 120.911 120.911 120.572 0.339 19210 2711 1 15 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.938 0.113 19210 2712 1 15 . 1 1 55 55 ASP H H 55 8.640 8.640 8.339 0.301 19210 2713 1 15 . 1 1 56 56 ARG N N 56 119.204 119.204 122.501 -3.297 19210 2714 1 15 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.937 0.404 19210 2715 1 15 . 1 1 56 56 ARG H H 56 8.234 8.234 8.486 -0.252 19210 2716 1 15 . 1 1 57 57 CYS N N 57 119.250 119.250 124.561 -5.311 19210 2717 1 15 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.428 0.456 19210 2718 1 15 . 1 1 57 57 CYS H H 57 9.344 9.344 8.774 0.570 19210 2719 1 15 . 1 1 58 58 THR N N 58 112.882 112.882 112.990 -0.108 19210 2720 1 15 . 1 1 58 58 THR HA H 58 4.442 4.442 4.267 0.175 19210 2721 1 15 . 1 1 58 58 THR H H 58 10.180 10.180 8.761 1.419 19210 2722 1 15 . 1 1 59 59 GLY N N 59 111.190 111.190 109.736 1.454 19210 2723 1 15 . 1 1 59 59 GLY H H 59 8.546 8.546 8.055 0.491 19210 2724 1 15 . 1 1 60 60 GLN N N 60 114.377 114.377 116.711 -2.334 19210 2725 1 15 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.232 0.066 19210 2726 1 15 . 1 1 60 60 GLN H H 60 7.986 7.986 7.601 0.385 19210 2727 1 15 . 1 1 61 61 SER N N 61 110.403 110.403 116.326 -5.923 19210 2728 1 15 . 1 1 61 61 SER HA H 61 3.880 3.880 3.931 -0.051 19210 2729 1 15 . 1 1 61 61 SER H H 61 6.630 6.630 7.249 -0.619 19210 2730 1 15 . 1 1 62 62 ALA N N 62 125.118 125.118 128.575 -3.457 19210 2731 1 15 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.354 0.081 19210 2732 1 15 . 1 1 62 62 ALA H H 62 9.027 9.027 8.431 0.596 19210 2733 1 15 . 1 1 63 63 ASP N N 63 116.936 116.936 119.305 -2.369 19210 2734 1 15 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.676 0.219 19210 2735 1 15 . 1 1 63 63 ASP H H 63 8.080 8.080 7.947 0.133 19210 2736 1 15 . 1 1 64 64 CYS N N 64 121.286 121.286 125.012 -3.726 19210 2737 1 15 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.501 0.902 19210 2738 1 15 . 1 1 64 64 CYS H H 64 8.924 8.924 8.421 0.503 19210 2739 1 15 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.452 -0.077 19210 2740 1 15 . 1 1 66 66 ARG N N 66 118.950 118.950 117.993 0.957 19210 2741 1 15 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.259 0.103 19210 2742 1 15 . 1 1 66 66 ARG H H 66 8.203 8.203 8.114 0.089 19210 2743 1 15 . 1 1 67 67 TYR N N 67 123.890 123.890 119.063 4.827 19210 2744 1 15 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.181 0.278 19210 2745 1 15 . 1 1 67 67 TYR H H 67 8.650 8.650 8.596 0.054 19210 2746 1 16 . 1 1 2 2 LYS N N 2 120.685 120.685 121.691 -1.006 19210 2747 1 16 . 1 1 2 2 LYS H H 2 8.331 8.331 8.273 0.058 19210 2748 1 16 . 1 1 3 3 GLU N N 3 120.726 120.726 116.988 3.738 19210 2749 1 16 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.424 -0.102 19210 2750 1 16 . 1 1 3 3 GLU H H 3 8.659 8.659 8.517 0.142 19210 2751 1 16 . 1 1 4 4 CYS N N 4 119.143 119.143 121.068 -1.925 19210 2752 1 16 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.829 0.146 19210 2753 1 16 . 1 1 4 4 CYS H H 4 8.116 8.116 7.986 0.130 19210 2754 1 16 . 1 1 5 5 ASP N N 5 119.126 119.126 123.875 -4.749 19210 2755 1 16 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.746 0.071 19210 2756 1 16 . 1 1 5 5 ASP H H 5 8.776 8.776 8.929 -0.153 19210 2757 1 16 . 1 1 6 6 CYS N N 6 112.124 112.124 112.554 -0.430 19210 2758 1 16 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.900 0.031 19210 2759 1 16 . 1 1 6 6 CYS H H 6 6.975 6.975 7.399 -0.424 19210 2760 1 16 . 1 1 7 7 SER N N 7 118.845 118.845 115.313 3.532 19210 2761 1 16 . 1 1 7 7 SER HA H 7 4.226 4.226 4.500 -0.274 19210 2762 1 16 . 1 1 7 7 SER H H 7 9.659 9.659 9.732 -0.073 19210 2763 1 16 . 1 1 8 8 SER N N 8 115.212 115.212 119.293 -4.081 19210 2764 1 16 . 1 1 8 8 SER HA H 8 5.137 5.137 4.864 0.273 19210 2765 1 16 . 1 1 8 8 SER H H 8 7.862 7.862 7.785 0.077 19210 2766 1 16 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.501 0.058 19210 2767 1 16 . 1 1 10 10 GLU N N 10 116.255 116.255 116.594 -0.339 19210 2768 1 16 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.420 -0.126 19210 2769 1 16 . 1 1 10 10 GLU H H 10 8.244 8.244 8.003 0.241 19210 2770 1 16 . 1 1 11 11 ASN N N 11 120.176 120.176 119.320 0.856 19210 2771 1 16 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.815 -0.021 19210 2772 1 16 . 1 1 11 11 ASN H H 11 7.260 7.260 7.463 -0.203 19210 2773 1 16 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.502 0.202 19210 2774 1 16 . 1 1 13 13 CYS N N 13 117.315 117.315 117.475 -0.160 19210 2775 1 16 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.429 0.219 19210 2776 1 16 . 1 1 13 13 CYS H H 13 8.931 8.931 7.947 0.984 19210 2777 1 16 . 1 1 14 14 CYS N N 14 111.828 111.828 118.745 -6.917 19210 2778 1 16 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.747 0.309 19210 2779 1 16 . 1 1 14 14 CYS H H 14 7.543 7.543 8.131 -0.588 19210 2780 1 16 . 1 1 15 15 ASP N N 15 120.797 120.797 127.050 -6.253 19210 2781 1 16 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.542 0.028 19210 2782 1 16 . 1 1 15 15 ASP H H 15 8.212 8.212 8.941 -0.729 19210 2783 1 16 . 1 1 16 16 ALA N N 16 130.631 130.631 129.359 1.272 19210 2784 1 16 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.081 0.067 19210 2785 1 16 . 1 1 16 16 ALA H H 16 8.996 8.996 8.572 0.424 19210 2786 1 16 . 1 1 17 17 ALA N N 17 104.931 104.931 122.822 -17.891 19210 2787 1 16 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.088 0.273 19210 2788 1 16 . 1 1 17 17 ALA H H 17 8.669 8.669 8.482 0.187 19210 2789 1 16 . 1 1 18 18 THR N N 18 104.831 104.831 109.389 -4.558 19210 2790 1 16 . 1 1 18 18 THR HA H 18 4.445 4.445 4.273 0.172 19210 2791 1 16 . 1 1 18 18 THR H H 18 7.743 7.743 7.937 -0.194 19210 2792 1 16 . 1 1 19 19 CYS N N 19 118.516 118.516 120.642 -2.126 19210 2793 1 16 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.128 0.514 19210 2794 1 16 . 1 1 19 19 CYS H H 19 8.601 8.601 7.960 0.641 19210 2795 1 16 . 1 1 20 20 LYS N N 20 117.755 117.755 117.002 0.753 19210 2796 1 16 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.708 0.237 19210 2797 1 16 . 1 1 20 20 LYS H H 20 7.964 7.964 7.521 0.443 19210 2798 1 16 . 1 1 21 21 LEU N N 21 119.922 119.922 121.324 -1.402 19210 2799 1 16 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.374 -0.089 19210 2800 1 16 . 1 1 21 21 LEU H H 21 9.211 9.211 8.610 0.601 19210 2801 1 16 . 1 1 22 22 ARG N N 22 121.994 121.994 126.644 -4.650 19210 2802 1 16 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.410 0.038 19210 2803 1 16 . 1 1 22 22 ARG H H 22 8.490 8.490 8.062 0.428 19210 2804 1 16 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.528 -0.139 19210 2805 1 16 . 1 1 24 24 GLY N N 24 113.118 113.118 106.564 6.554 19210 2806 1 16 . 1 1 24 24 GLY H H 24 8.830 8.830 8.349 0.481 19210 2807 1 16 . 1 1 25 25 ALA N N 25 122.763 122.763 121.810 0.953 19210 2808 1 16 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.205 0.335 19210 2809 1 16 . 1 1 25 25 ALA H H 25 7.942 7.942 7.437 0.505 19210 2810 1 16 . 1 1 26 26 GLN N N 26 117.396 117.396 120.105 -2.709 19210 2811 1 16 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.183 -0.070 19210 2812 1 16 . 1 1 26 26 GLN H H 26 8.827 8.827 8.505 0.322 19210 2813 1 16 . 1 1 27 27 CYS N N 27 112.799 112.799 111.960 0.839 19210 2814 1 16 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.914 -0.359 19210 2815 1 16 . 1 1 27 27 CYS H H 27 7.805 7.805 7.194 0.611 19210 2816 1 16 . 1 1 28 28 GLY N N 28 104.351 104.351 108.699 -4.348 19210 2817 1 16 . 1 1 28 28 GLY H H 28 9.163 9.163 8.595 0.568 19210 2818 1 16 . 1 1 29 29 GLU N N 29 117.534 117.534 119.365 -1.831 19210 2819 1 16 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.578 0.204 19210 2820 1 16 . 1 1 29 29 GLU H H 29 7.844 7.844 7.434 0.410 19210 2821 1 16 . 1 1 30 30 GLY N N 30 107.933 107.933 109.798 -1.865 19210 2822 1 16 . 1 1 30 30 GLY H H 30 8.391 8.391 8.276 0.115 19210 2823 1 16 . 1 1 31 31 LEU N N 31 120.439 120.439 120.730 -0.291 19210 2824 1 16 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.598 -0.244 19210 2825 1 16 . 1 1 31 31 LEU H H 31 8.960 8.960 8.570 0.390 19210 2826 1 16 . 1 1 32 32 CYS N N 32 114.457 114.457 117.756 -3.299 19210 2827 1 16 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.626 0.482 19210 2828 1 16 . 1 1 32 32 CYS H H 32 8.467 8.467 7.574 0.893 19210 2829 1 16 . 1 1 33 33 CYS N N 33 120.753 120.753 122.710 -1.957 19210 2830 1 16 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.116 0.175 19210 2831 1 16 . 1 1 33 33 CYS H H 33 7.365 7.365 8.211 -0.846 19210 2832 1 16 . 1 1 34 34 GLU N N 34 128.062 128.062 127.946 0.116 19210 2833 1 16 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.505 0.177 19210 2834 1 16 . 1 1 34 34 GLU H H 34 9.742 9.742 8.195 1.547 19210 2835 1 16 . 1 1 35 35 GLN N N 35 124.793 124.793 122.227 2.566 19210 2836 1 16 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.929 0.070 19210 2837 1 16 . 1 1 35 35 GLN H H 35 9.453 9.453 9.182 0.271 19210 2838 1 16 . 1 1 36 36 CYS N N 36 104.799 104.799 112.597 -7.798 19210 2839 1 16 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.143 0.658 19210 2840 1 16 . 1 1 36 36 CYS H H 36 8.492 8.492 8.426 0.066 19210 2841 1 16 . 1 1 37 37 LYS N N 37 120.580 120.580 117.775 2.805 19210 2842 1 16 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.447 0.256 19210 2843 1 16 . 1 1 37 37 LYS H H 37 8.024 8.024 7.335 0.689 19210 2844 1 16 . 1 1 38 38 PHE N N 38 119.267 119.267 120.660 -1.393 19210 2845 1 16 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.560 0.581 19210 2846 1 16 . 1 1 38 38 PHE H H 38 8.276 8.276 8.484 -0.208 19210 2847 1 16 . 1 1 39 39 SER N N 39 120.055 120.055 120.174 -0.119 19210 2848 1 16 . 1 1 39 39 SER HA H 39 4.274 4.274 4.390 -0.116 19210 2849 1 16 . 1 1 39 39 SER H H 39 9.044 9.044 8.546 0.498 19210 2850 1 16 . 1 1 40 40 ARG N N 40 121.118 121.118 120.467 0.651 19210 2851 1 16 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.286 -0.185 19210 2852 1 16 . 1 1 40 40 ARG H H 40 8.573 8.573 8.372 0.201 19210 2853 1 16 . 1 1 41 41 ALA N N 41 123.139 123.139 121.585 1.554 19210 2854 1 16 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.742 -1.018 19210 2855 1 16 . 1 1 41 41 ALA H H 41 8.501 8.501 8.006 0.495 19210 2856 1 16 . 1 1 42 42 GLY N N 42 109.789 109.789 107.933 1.856 19210 2857 1 16 . 1 1 42 42 GLY H H 42 8.619 8.619 8.452 0.167 19210 2858 1 16 . 1 1 43 43 LYS N N 43 122.160 122.160 120.641 1.519 19210 2859 1 16 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.539 -0.390 19210 2860 1 16 . 1 1 43 43 LYS H H 43 7.535 7.535 7.346 0.189 19210 2861 1 16 . 1 1 44 44 ILE N N 44 128.214 128.214 128.268 -0.054 19210 2862 1 16 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.382 -0.264 19210 2863 1 16 . 1 1 44 44 ILE H H 44 8.902 8.902 8.780 0.122 19210 2864 1 16 . 1 1 45 45 CYS N N 45 123.076 123.076 125.442 -2.366 19210 2865 1 16 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.623 0.568 19210 2866 1 16 . 1 1 45 45 CYS H H 45 9.417 9.417 9.276 0.141 19210 2867 1 16 . 1 1 46 46 ARG N N 46 122.593 122.593 119.563 3.030 19210 2868 1 16 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.507 -0.032 19210 2869 1 16 . 1 1 46 46 ARG H H 46 7.611 7.611 7.375 0.236 19210 2870 1 16 . 1 1 47 47 ILE N N 47 126.701 126.701 119.408 7.293 19210 2871 1 16 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.432 -0.144 19210 2872 1 16 . 1 1 47 47 ILE H H 47 8.517 8.517 8.490 0.027 19210 2873 1 16 . 1 1 48 48 ALA N N 48 130.503 130.503 131.076 -0.573 19210 2874 1 16 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.974 -0.651 19210 2875 1 16 . 1 1 48 48 ALA H H 48 9.374 9.374 8.562 0.812 19210 2876 1 16 . 1 1 49 49 ARG N N 49 118.315 118.315 124.880 -6.565 19210 2877 1 16 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.303 0.095 19210 2878 1 16 . 1 1 49 49 ARG H H 49 8.331 8.331 9.104 -0.773 19210 2879 1 16 . 1 1 50 50 GLY N N 50 109.557 109.557 114.541 -4.984 19210 2880 1 16 . 1 1 50 50 GLY H H 50 8.426 8.426 8.492 -0.066 19210 2881 1 16 . 1 1 51 51 ASP N N 51 120.231 120.231 118.861 1.370 19210 2882 1 16 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.397 0.262 19210 2883 1 16 . 1 1 51 51 ASP H H 51 8.610 8.610 6.095 2.515 19210 2884 1 16 . 1 1 52 52 TRP N N 52 118.920 118.920 123.088 -4.168 19210 2885 1 16 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.769 0.027 19210 2886 1 16 . 1 1 52 52 TRP H H 52 7.862 7.862 7.594 0.268 19210 2887 1 16 . 1 1 53 53 ASN N N 53 116.604 116.604 119.758 -3.154 19210 2888 1 16 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.913 -0.113 19210 2889 1 16 . 1 1 53 53 ASN H H 53 8.325 8.325 8.577 -0.252 19210 2890 1 16 . 1 1 54 54 ASP N N 54 119.405 119.405 122.980 -3.575 19210 2891 1 16 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.702 0.002 19210 2892 1 16 . 1 1 54 54 ASP H H 54 8.186 8.186 8.398 -0.212 19210 2893 1 16 . 1 1 55 55 ASP N N 55 120.911 120.911 123.136 -2.225 19210 2894 1 16 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.790 0.261 19210 2895 1 16 . 1 1 55 55 ASP H H 55 8.640 8.640 8.634 0.006 19210 2896 1 16 . 1 1 56 56 ARG N N 56 119.204 119.204 123.433 -4.229 19210 2897 1 16 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.979 0.362 19210 2898 1 16 . 1 1 56 56 ARG H H 56 8.234 8.234 8.139 0.095 19210 2899 1 16 . 1 1 57 57 CYS N N 57 119.250 119.250 124.111 -4.861 19210 2900 1 16 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.473 0.411 19210 2901 1 16 . 1 1 57 57 CYS H H 57 9.344 9.344 9.145 0.199 19210 2902 1 16 . 1 1 58 58 THR N N 58 112.882 112.882 113.199 -0.317 19210 2903 1 16 . 1 1 58 58 THR HA H 58 4.442 4.442 4.152 0.290 19210 2904 1 16 . 1 1 58 58 THR H H 58 10.180 10.180 8.819 1.361 19210 2905 1 16 . 1 1 59 59 GLY N N 59 111.190 111.190 109.265 1.925 19210 2906 1 16 . 1 1 59 59 GLY H H 59 8.546 8.546 8.482 0.064 19210 2907 1 16 . 1 1 60 60 GLN N N 60 114.377 114.377 117.493 -3.116 19210 2908 1 16 . 1 1 60 60 GLN HA H 60 4.298 4.298 3.838 0.460 19210 2909 1 16 . 1 1 60 60 GLN H H 60 7.986 7.986 7.485 0.501 19210 2910 1 16 . 1 1 61 61 SER N N 61 110.403 110.403 115.190 -4.787 19210 2911 1 16 . 1 1 61 61 SER HA H 61 3.880 3.880 4.392 -0.512 19210 2912 1 16 . 1 1 61 61 SER H H 61 6.630 6.630 7.410 -0.780 19210 2913 1 16 . 1 1 62 62 ALA N N 62 125.118 125.118 126.027 -0.909 19210 2914 1 16 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.608 -0.173 19210 2915 1 16 . 1 1 62 62 ALA H H 62 9.027 9.027 8.814 0.213 19210 2916 1 16 . 1 1 63 63 ASP N N 63 116.936 116.936 119.141 -2.205 19210 2917 1 16 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.850 0.045 19210 2918 1 16 . 1 1 63 63 ASP H H 63 8.080 8.080 8.300 -0.220 19210 2919 1 16 . 1 1 64 64 CYS N N 64 121.286 121.286 122.183 -0.897 19210 2920 1 16 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.460 0.943 19210 2921 1 16 . 1 1 64 64 CYS H H 64 8.924 8.924 8.156 0.768 19210 2922 1 16 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.495 -0.120 19210 2923 1 16 . 1 1 66 66 ARG N N 66 118.950 118.950 116.304 2.646 19210 2924 1 16 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.350 0.012 19210 2925 1 16 . 1 1 66 66 ARG H H 66 8.203 8.203 8.180 0.023 19210 2926 1 16 . 1 1 67 67 TYR N N 67 123.890 123.890 121.453 2.437 19210 2927 1 16 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.339 0.120 19210 2928 1 16 . 1 1 67 67 TYR H H 67 8.650 8.650 8.414 0.236 19210 2929 1 17 . 1 1 2 2 LYS N N 2 120.685 120.685 120.450 0.235 19210 2930 1 17 . 1 1 2 2 LYS H H 2 8.331 8.331 8.380 -0.049 19210 2931 1 17 . 1 1 3 3 GLU N N 3 120.726 120.726 121.036 -0.310 19210 2932 1 17 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.440 -0.118 19210 2933 1 17 . 1 1 3 3 GLU H H 3 8.659 8.659 8.415 0.244 19210 2934 1 17 . 1 1 4 4 CYS N N 4 119.143 119.143 118.743 0.400 19210 2935 1 17 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.718 0.257 19210 2936 1 17 . 1 1 4 4 CYS H H 4 8.116 8.116 7.751 0.365 19210 2937 1 17 . 1 1 5 5 ASP N N 5 119.126 119.126 125.443 -6.317 19210 2938 1 17 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.885 -0.068 19210 2939 1 17 . 1 1 5 5 ASP H H 5 8.776 8.776 9.157 -0.381 19210 2940 1 17 . 1 1 6 6 CYS N N 6 112.124 112.124 116.032 -3.908 19210 2941 1 17 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.766 0.165 19210 2942 1 17 . 1 1 6 6 CYS H H 6 6.975 6.975 7.480 -0.505 19210 2943 1 17 . 1 1 7 7 SER N N 7 118.845 118.845 117.727 1.118 19210 2944 1 17 . 1 1 7 7 SER HA H 7 4.226 4.226 4.555 -0.329 19210 2945 1 17 . 1 1 7 7 SER H H 7 9.659 9.659 8.924 0.735 19210 2946 1 17 . 1 1 8 8 SER N N 8 115.212 115.212 116.384 -1.172 19210 2947 1 17 . 1 1 8 8 SER HA H 8 5.137 5.137 4.878 0.259 19210 2948 1 17 . 1 1 8 8 SER H H 8 7.862 7.862 7.622 0.240 19210 2949 1 17 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.571 -0.012 19210 2950 1 17 . 1 1 10 10 GLU N N 10 116.255 116.255 116.785 -0.530 19210 2951 1 17 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.393 -0.099 19210 2952 1 17 . 1 1 10 10 GLU H H 10 8.244 8.244 7.987 0.257 19210 2953 1 17 . 1 1 11 11 ASN N N 11 120.176 120.176 121.321 -1.145 19210 2954 1 17 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.904 -0.110 19210 2955 1 17 . 1 1 11 11 ASN H H 11 7.260 7.260 7.632 -0.372 19210 2956 1 17 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.611 0.093 19210 2957 1 17 . 1 1 13 13 CYS N N 13 117.315 117.315 117.204 0.111 19210 2958 1 17 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.693 -0.045 19210 2959 1 17 . 1 1 13 13 CYS H H 13 8.931 8.931 9.334 -0.403 19210 2960 1 17 . 1 1 14 14 CYS N N 14 111.828 111.828 118.978 -7.150 19210 2961 1 17 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.714 0.342 19210 2962 1 17 . 1 1 14 14 CYS H H 14 7.543 7.543 7.453 0.090 19210 2963 1 17 . 1 1 15 15 ASP N N 15 120.797 120.797 125.811 -5.014 19210 2964 1 17 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.481 0.089 19210 2965 1 17 . 1 1 15 15 ASP H H 15 8.212 8.212 8.692 -0.480 19210 2966 1 17 . 1 1 16 16 ALA N N 16 130.631 130.631 130.732 -0.101 19210 2967 1 17 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.039 0.109 19210 2968 1 17 . 1 1 16 16 ALA H H 16 8.996 8.996 8.774 0.222 19210 2969 1 17 . 1 1 17 17 ALA N N 17 104.931 104.931 122.109 -17.178 19210 2970 1 17 . 1 1 17 17 ALA HA H 17 4.361 4.361 3.987 0.374 19210 2971 1 17 . 1 1 17 17 ALA H H 17 8.669 8.669 8.579 0.090 19210 2972 1 17 . 1 1 18 18 THR N N 18 104.831 104.831 107.067 -2.236 19210 2973 1 17 . 1 1 18 18 THR HA H 18 4.445 4.445 4.224 0.221 19210 2974 1 17 . 1 1 18 18 THR H H 18 7.743 7.743 7.720 0.023 19210 2975 1 17 . 1 1 19 19 CYS N N 19 118.516 118.516 119.527 -1.011 19210 2976 1 17 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.124 0.518 19210 2977 1 17 . 1 1 19 19 CYS H H 19 8.601 8.601 8.494 0.107 19210 2978 1 17 . 1 1 20 20 LYS N N 20 117.755 117.755 118.086 -0.331 19210 2979 1 17 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.810 0.135 19210 2980 1 17 . 1 1 20 20 LYS H H 20 7.964 7.964 7.639 0.325 19210 2981 1 17 . 1 1 21 21 LEU N N 21 119.922 119.922 120.823 -0.901 19210 2982 1 17 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.280 0.005 19210 2983 1 17 . 1 1 21 21 LEU H H 21 9.211 9.211 8.564 0.647 19210 2984 1 17 . 1 1 22 22 ARG N N 22 121.994 121.994 125.606 -3.612 19210 2985 1 17 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.405 0.043 19210 2986 1 17 . 1 1 22 22 ARG H H 22 8.490 8.490 8.058 0.432 19210 2987 1 17 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.584 -0.195 19210 2988 1 17 . 1 1 24 24 GLY N N 24 113.118 113.118 106.309 6.809 19210 2989 1 17 . 1 1 24 24 GLY H H 24 8.830 8.830 8.163 0.667 19210 2990 1 17 . 1 1 25 25 ALA N N 25 122.763 122.763 122.309 0.454 19210 2991 1 17 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.086 0.454 19210 2992 1 17 . 1 1 25 25 ALA H H 25 7.942 7.942 7.307 0.635 19210 2993 1 17 . 1 1 26 26 GLN N N 26 117.396 117.396 121.531 -4.135 19210 2994 1 17 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.048 0.065 19210 2995 1 17 . 1 1 26 26 GLN H H 26 8.827 8.827 8.225 0.602 19210 2996 1 17 . 1 1 27 27 CYS N N 27 112.799 112.799 116.682 -3.883 19210 2997 1 17 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.663 -0.108 19210 2998 1 17 . 1 1 27 27 CYS H H 27 7.805 7.805 7.554 0.251 19210 2999 1 17 . 1 1 28 28 GLY N N 28 104.351 104.351 110.756 -6.405 19210 3000 1 17 . 1 1 28 28 GLY H H 28 9.163 9.163 8.675 0.488 19210 3001 1 17 . 1 1 29 29 GLU N N 29 117.534 117.534 117.603 -0.069 19210 3002 1 17 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.468 0.314 19210 3003 1 17 . 1 1 29 29 GLU H H 29 7.844 7.844 7.628 0.216 19210 3004 1 17 . 1 1 30 30 GLY N N 30 107.933 107.933 109.296 -1.363 19210 3005 1 17 . 1 1 30 30 GLY H H 30 8.391 8.391 8.076 0.315 19210 3006 1 17 . 1 1 31 31 LEU N N 31 120.439 120.439 122.394 -1.955 19210 3007 1 17 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.042 0.312 19210 3008 1 17 . 1 1 31 31 LEU H H 31 8.960 8.960 8.815 0.145 19210 3009 1 17 . 1 1 32 32 CYS N N 32 114.457 114.457 115.874 -1.417 19210 3010 1 17 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.517 0.591 19210 3011 1 17 . 1 1 32 32 CYS H H 32 8.467 8.467 7.998 0.469 19210 3012 1 17 . 1 1 33 33 CYS N N 33 120.753 120.753 120.492 0.261 19210 3013 1 17 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.561 -0.270 19210 3014 1 17 . 1 1 33 33 CYS H H 33 7.365 7.365 8.004 -0.639 19210 3015 1 17 . 1 1 34 34 GLU N N 34 128.062 128.062 125.293 2.769 19210 3016 1 17 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.407 0.275 19210 3017 1 17 . 1 1 34 34 GLU H H 34 9.742 9.742 8.414 1.328 19210 3018 1 17 . 1 1 35 35 GLN N N 35 124.793 124.793 124.483 0.310 19210 3019 1 17 . 1 1 35 35 GLN HA H 35 3.999 3.999 4.048 -0.049 19210 3020 1 17 . 1 1 35 35 GLN H H 35 9.453 9.453 9.029 0.424 19210 3021 1 17 . 1 1 36 36 CYS N N 36 104.799 104.799 113.911 -9.112 19210 3022 1 17 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.191 0.610 19210 3023 1 17 . 1 1 36 36 CYS H H 36 8.492 8.492 8.525 -0.033 19210 3024 1 17 . 1 1 37 37 LYS N N 37 120.580 120.580 117.492 3.088 19210 3025 1 17 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.445 0.258 19210 3026 1 17 . 1 1 37 37 LYS H H 37 8.024 8.024 7.033 0.991 19210 3027 1 17 . 1 1 38 38 PHE N N 38 119.267 119.267 119.734 -0.467 19210 3028 1 17 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.881 0.260 19210 3029 1 17 . 1 1 38 38 PHE H H 38 8.276 8.276 8.275 0.001 19210 3030 1 17 . 1 1 39 39 SER N N 39 120.055 120.055 119.125 0.930 19210 3031 1 17 . 1 1 39 39 SER HA H 39 4.274 4.274 4.382 -0.108 19210 3032 1 17 . 1 1 39 39 SER H H 39 9.044 9.044 9.202 -0.158 19210 3033 1 17 . 1 1 40 40 ARG N N 40 121.118 121.118 119.845 1.273 19210 3034 1 17 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.421 -0.320 19210 3035 1 17 . 1 1 40 40 ARG H H 40 8.573 8.573 8.474 0.099 19210 3036 1 17 . 1 1 41 41 ALA N N 41 123.139 123.139 121.987 1.152 19210 3037 1 17 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.727 -1.003 19210 3038 1 17 . 1 1 41 41 ALA H H 41 8.501 8.501 8.090 0.411 19210 3039 1 17 . 1 1 42 42 GLY N N 42 109.789 109.789 107.178 2.611 19210 3040 1 17 . 1 1 42 42 GLY H H 42 8.619 8.619 8.309 0.310 19210 3041 1 17 . 1 1 43 43 LYS N N 43 122.160 122.160 120.833 1.327 19210 3042 1 17 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.525 -0.376 19210 3043 1 17 . 1 1 43 43 LYS H H 43 7.535 7.535 7.302 0.233 19210 3044 1 17 . 1 1 44 44 ILE N N 44 128.214 128.214 129.819 -1.605 19210 3045 1 17 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.607 -0.489 19210 3046 1 17 . 1 1 44 44 ILE H H 44 8.902 8.902 8.627 0.275 19210 3047 1 17 . 1 1 45 45 CYS N N 45 123.076 123.076 125.472 -2.396 19210 3048 1 17 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.484 0.707 19210 3049 1 17 . 1 1 45 45 CYS H H 45 9.417 9.417 8.787 0.630 19210 3050 1 17 . 1 1 46 46 ARG N N 46 122.593 122.593 119.280 3.313 19210 3051 1 17 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.574 -0.099 19210 3052 1 17 . 1 1 46 46 ARG H H 46 7.611 7.611 7.415 0.196 19210 3053 1 17 . 1 1 47 47 ILE N N 47 126.701 126.701 123.580 3.121 19210 3054 1 17 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.196 0.092 19210 3055 1 17 . 1 1 47 47 ILE H H 47 8.517 8.517 8.498 0.019 19210 3056 1 17 . 1 1 48 48 ALA N N 48 130.503 130.503 130.598 -0.095 19210 3057 1 17 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.840 -0.517 19210 3058 1 17 . 1 1 48 48 ALA H H 48 9.374 9.374 8.175 1.199 19210 3059 1 17 . 1 1 49 49 ARG N N 49 118.315 118.315 119.746 -1.431 19210 3060 1 17 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.318 0.080 19210 3061 1 17 . 1 1 49 49 ARG H H 49 8.331 8.331 9.093 -0.762 19210 3062 1 17 . 1 1 50 50 GLY N N 50 109.557 109.557 105.053 4.504 19210 3063 1 17 . 1 1 50 50 GLY H H 50 8.426 8.426 6.652 1.774 19210 3064 1 17 . 1 1 51 51 ASP N N 51 120.231 120.231 116.960 3.271 19210 3065 1 17 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.348 0.311 19210 3066 1 17 . 1 1 51 51 ASP H H 51 8.610 8.610 8.536 0.074 19210 3067 1 17 . 1 1 52 52 TRP N N 52 118.920 118.920 116.838 2.082 19210 3068 1 17 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.936 -0.140 19210 3069 1 17 . 1 1 52 52 TRP H H 52 7.862 7.862 6.521 1.341 19210 3070 1 17 . 1 1 53 53 ASN N N 53 116.604 116.604 120.011 -3.407 19210 3071 1 17 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.592 0.208 19210 3072 1 17 . 1 1 53 53 ASN H H 53 8.325 8.325 8.709 -0.384 19210 3073 1 17 . 1 1 54 54 ASP N N 54 119.405 119.405 120.795 -1.390 19210 3074 1 17 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.705 -0.001 19210 3075 1 17 . 1 1 54 54 ASP H H 54 8.186 8.186 8.498 -0.312 19210 3076 1 17 . 1 1 55 55 ASP N N 55 120.911 120.911 120.180 0.731 19210 3077 1 17 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.842 0.209 19210 3078 1 17 . 1 1 55 55 ASP H H 55 8.640 8.640 8.723 -0.083 19210 3079 1 17 . 1 1 56 56 ARG N N 56 119.204 119.204 126.344 -7.140 19210 3080 1 17 . 1 1 56 56 ARG HA H 56 5.341 5.341 5.058 0.283 19210 3081 1 17 . 1 1 56 56 ARG H H 56 8.234 8.234 7.973 0.261 19210 3082 1 17 . 1 1 57 57 CYS N N 57 119.250 119.250 124.569 -5.319 19210 3083 1 17 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.447 0.437 19210 3084 1 17 . 1 1 57 57 CYS H H 57 9.344 9.344 8.757 0.587 19210 3085 1 17 . 1 1 58 58 THR N N 58 112.882 112.882 114.306 -1.424 19210 3086 1 17 . 1 1 58 58 THR HA H 58 4.442 4.442 4.282 0.160 19210 3087 1 17 . 1 1 58 58 THR H H 58 10.180 10.180 8.658 1.522 19210 3088 1 17 . 1 1 59 59 GLY N N 59 111.190 111.190 110.156 1.034 19210 3089 1 17 . 1 1 59 59 GLY H H 59 8.546 8.546 8.039 0.507 19210 3090 1 17 . 1 1 60 60 GLN N N 60 114.377 114.377 115.658 -1.281 19210 3091 1 17 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.281 0.017 19210 3092 1 17 . 1 1 60 60 GLN H H 60 7.986 7.986 7.957 0.029 19210 3093 1 17 . 1 1 61 61 SER N N 61 110.403 110.403 117.086 -6.683 19210 3094 1 17 . 1 1 61 61 SER HA H 61 3.880 3.880 4.095 -0.215 19210 3095 1 17 . 1 1 61 61 SER H H 61 6.630 6.630 7.577 -0.947 19210 3096 1 17 . 1 1 62 62 ALA N N 62 125.118 125.118 126.486 -1.368 19210 3097 1 17 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.583 -0.148 19210 3098 1 17 . 1 1 62 62 ALA H H 62 9.027 9.027 8.400 0.627 19210 3099 1 17 . 1 1 63 63 ASP N N 63 116.936 116.936 119.378 -2.442 19210 3100 1 17 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.595 0.300 19210 3101 1 17 . 1 1 63 63 ASP H H 63 8.080 8.080 8.164 -0.084 19210 3102 1 17 . 1 1 64 64 CYS N N 64 121.286 121.286 125.359 -4.073 19210 3103 1 17 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.387 1.016 19210 3104 1 17 . 1 1 64 64 CYS H H 64 8.924 8.924 8.786 0.138 19210 3105 1 17 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.544 -0.169 19210 3106 1 17 . 1 1 66 66 ARG N N 66 118.950 118.950 115.520 3.430 19210 3107 1 17 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.045 0.317 19210 3108 1 17 . 1 1 66 66 ARG H H 66 8.203 8.203 7.986 0.217 19210 3109 1 17 . 1 1 67 67 TYR N N 67 123.890 123.890 122.271 1.619 19210 3110 1 17 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.328 0.131 19210 3111 1 17 . 1 1 67 67 TYR H H 67 8.650 8.650 7.925 0.725 19210 3112 1 18 . 1 1 2 2 LYS N N 2 120.685 120.685 122.564 -1.879 19210 3113 1 18 . 1 1 2 2 LYS H H 2 8.331 8.331 8.131 0.200 19210 3114 1 18 . 1 1 3 3 GLU N N 3 120.726 120.726 121.525 -0.799 19210 3115 1 18 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.387 -0.065 19210 3116 1 18 . 1 1 3 3 GLU H H 3 8.659 8.659 8.712 -0.053 19210 3117 1 18 . 1 1 4 4 CYS N N 4 119.143 119.143 118.285 0.858 19210 3118 1 18 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.862 0.113 19210 3119 1 18 . 1 1 4 4 CYS H H 4 8.116 8.116 7.677 0.439 19210 3120 1 18 . 1 1 5 5 ASP N N 5 119.126 119.126 126.345 -7.219 19210 3121 1 18 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.637 0.180 19210 3122 1 18 . 1 1 5 5 ASP H H 5 8.776 8.776 8.328 0.448 19210 3123 1 18 . 1 1 6 6 CYS N N 6 112.124 112.124 112.741 -0.617 19210 3124 1 18 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.866 0.065 19210 3125 1 18 . 1 1 6 6 CYS H H 6 6.975 6.975 7.344 -0.369 19210 3126 1 18 . 1 1 7 7 SER N N 7 118.845 118.845 114.594 4.251 19210 3127 1 18 . 1 1 7 7 SER HA H 7 4.226 4.226 4.668 -0.442 19210 3128 1 18 . 1 1 7 7 SER H H 7 9.659 9.659 8.848 0.811 19210 3129 1 18 . 1 1 8 8 SER N N 8 115.212 115.212 116.361 -1.149 19210 3130 1 18 . 1 1 8 8 SER HA H 8 5.137 5.137 4.855 0.282 19210 3131 1 18 . 1 1 8 8 SER H H 8 7.862 7.862 7.619 0.243 19210 3132 1 18 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.552 0.007 19210 3133 1 18 . 1 1 10 10 GLU N N 10 116.255 116.255 120.691 -4.436 19210 3134 1 18 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.355 -0.061 19210 3135 1 18 . 1 1 10 10 GLU H H 10 8.244 8.244 8.707 -0.463 19210 3136 1 18 . 1 1 11 11 ASN N N 11 120.176 120.176 119.435 0.741 19210 3137 1 18 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.945 -0.151 19210 3138 1 18 . 1 1 11 11 ASN H H 11 7.260 7.260 7.567 -0.307 19210 3139 1 18 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.436 0.268 19210 3140 1 18 . 1 1 13 13 CYS N N 13 117.315 117.315 117.249 0.066 19210 3141 1 18 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.535 0.113 19210 3142 1 18 . 1 1 13 13 CYS H H 13 8.931 8.931 8.879 0.052 19210 3143 1 18 . 1 1 14 14 CYS N N 14 111.828 111.828 119.860 -8.032 19210 3144 1 18 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.658 0.398 19210 3145 1 18 . 1 1 14 14 CYS H H 14 7.543 7.543 7.640 -0.097 19210 3146 1 18 . 1 1 15 15 ASP N N 15 120.797 120.797 127.682 -6.885 19210 3147 1 18 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.530 0.040 19210 3148 1 18 . 1 1 15 15 ASP H H 15 8.212 8.212 8.666 -0.454 19210 3149 1 18 . 1 1 16 16 ALA N N 16 130.631 130.631 129.371 1.260 19210 3150 1 18 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.133 0.015 19210 3151 1 18 . 1 1 16 16 ALA H H 16 8.996 8.996 8.461 0.535 19210 3152 1 18 . 1 1 17 17 ALA N N 17 104.931 104.931 120.112 -15.181 19210 3153 1 18 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.065 0.296 19210 3154 1 18 . 1 1 17 17 ALA H H 17 8.669 8.669 8.183 0.486 19210 3155 1 18 . 1 1 18 18 THR N N 18 104.831 104.831 109.250 -4.419 19210 3156 1 18 . 1 1 18 18 THR HA H 18 4.445 4.445 4.313 0.132 19210 3157 1 18 . 1 1 18 18 THR H H 18 7.743 7.743 7.685 0.058 19210 3158 1 18 . 1 1 19 19 CYS N N 19 118.516 118.516 118.859 -0.343 19210 3159 1 18 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.084 0.558 19210 3160 1 18 . 1 1 19 19 CYS H H 19 8.601 8.601 8.317 0.284 19210 3161 1 18 . 1 1 20 20 LYS N N 20 117.755 117.755 117.306 0.449 19210 3162 1 18 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.755 0.190 19210 3163 1 18 . 1 1 20 20 LYS H H 20 7.964 7.964 7.488 0.476 19210 3164 1 18 . 1 1 21 21 LEU N N 21 119.922 119.922 120.906 -0.984 19210 3165 1 18 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.343 -0.058 19210 3166 1 18 . 1 1 21 21 LEU H H 21 9.211 9.211 8.645 0.566 19210 3167 1 18 . 1 1 22 22 ARG N N 22 121.994 121.994 126.469 -4.475 19210 3168 1 18 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.336 0.112 19210 3169 1 18 . 1 1 22 22 ARG H H 22 8.490 8.490 8.085 0.405 19210 3170 1 18 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.486 -0.097 19210 3171 1 18 . 1 1 24 24 GLY N N 24 113.118 113.118 106.017 7.101 19210 3172 1 18 . 1 1 24 24 GLY H H 24 8.830 8.830 8.245 0.585 19210 3173 1 18 . 1 1 25 25 ALA N N 25 122.763 122.763 121.707 1.056 19210 3174 1 18 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.123 0.417 19210 3175 1 18 . 1 1 25 25 ALA H H 25 7.942 7.942 7.292 0.650 19210 3176 1 18 . 1 1 26 26 GLN N N 26 117.396 117.396 120.335 -2.939 19210 3177 1 18 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.973 0.140 19210 3178 1 18 . 1 1 26 26 GLN H H 26 8.827 8.827 8.480 0.347 19210 3179 1 18 . 1 1 27 27 CYS N N 27 112.799 112.799 117.187 -4.388 19210 3180 1 18 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.843 -0.288 19210 3181 1 18 . 1 1 27 27 CYS H H 27 7.805 7.805 7.478 0.327 19210 3182 1 18 . 1 1 28 28 GLY N N 28 104.351 104.351 111.989 -7.638 19210 3183 1 18 . 1 1 28 28 GLY H H 28 9.163 9.163 8.633 0.530 19210 3184 1 18 . 1 1 29 29 GLU N N 29 117.534 117.534 118.791 -1.257 19210 3185 1 18 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.523 0.259 19210 3186 1 18 . 1 1 29 29 GLU H H 29 7.844 7.844 7.883 -0.039 19210 3187 1 18 . 1 1 30 30 GLY N N 30 107.933 107.933 109.945 -2.012 19210 3188 1 18 . 1 1 30 30 GLY H H 30 8.391 8.391 8.190 0.201 19210 3189 1 18 . 1 1 31 31 LEU N N 31 120.439 120.439 121.219 -0.780 19210 3190 1 18 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.356 -0.002 19210 3191 1 18 . 1 1 31 31 LEU H H 31 8.960 8.960 8.194 0.766 19210 3192 1 18 . 1 1 32 32 CYS N N 32 114.457 114.457 118.967 -4.510 19210 3193 1 18 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.563 0.545 19210 3194 1 18 . 1 1 32 32 CYS H H 32 8.467 8.467 7.912 0.554 19210 3195 1 18 . 1 1 33 33 CYS N N 33 120.753 120.753 120.798 -0.045 19210 3196 1 18 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.638 -0.347 19210 3197 1 18 . 1 1 33 33 CYS H H 33 7.365 7.365 7.770 -0.405 19210 3198 1 18 . 1 1 34 34 GLU N N 34 128.062 128.062 125.287 2.775 19210 3199 1 18 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.609 0.073 19210 3200 1 18 . 1 1 34 34 GLU H H 34 9.742 9.742 8.251 1.491 19210 3201 1 18 . 1 1 35 35 GLN N N 35 124.793 124.793 122.717 2.076 19210 3202 1 18 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.952 0.047 19210 3203 1 18 . 1 1 35 35 GLN H H 35 9.453 9.453 9.111 0.342 19210 3204 1 18 . 1 1 36 36 CYS N N 36 104.799 104.799 113.498 -8.699 19210 3205 1 18 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.193 0.608 19210 3206 1 18 . 1 1 36 36 CYS H H 36 8.492 8.492 8.570 -0.078 19210 3207 1 18 . 1 1 37 37 LYS N N 37 120.580 120.580 118.816 1.764 19210 3208 1 18 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.635 0.068 19210 3209 1 18 . 1 1 37 37 LYS H H 37 8.024 8.024 7.847 0.177 19210 3210 1 18 . 1 1 38 38 PHE N N 38 119.267 119.267 119.428 -0.161 19210 3211 1 18 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.979 0.162 19210 3212 1 18 . 1 1 38 38 PHE H H 38 8.276 8.276 8.505 -0.229 19210 3213 1 18 . 1 1 39 39 SER N N 39 120.055 120.055 120.554 -0.499 19210 3214 1 18 . 1 1 39 39 SER HA H 39 4.274 4.274 4.330 -0.056 19210 3215 1 18 . 1 1 39 39 SER H H 39 9.044 9.044 8.930 0.114 19210 3216 1 18 . 1 1 40 40 ARG N N 40 121.118 121.118 120.380 0.738 19210 3217 1 18 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.489 -0.388 19210 3218 1 18 . 1 1 40 40 ARG H H 40 8.573 8.573 8.236 0.337 19210 3219 1 18 . 1 1 41 41 ALA N N 41 123.139 123.139 122.722 0.417 19210 3220 1 18 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.525 -0.801 19210 3221 1 18 . 1 1 41 41 ALA H H 41 8.501 8.501 8.192 0.309 19210 3222 1 18 . 1 1 42 42 GLY N N 42 109.789 109.789 108.169 1.620 19210 3223 1 18 . 1 1 42 42 GLY H H 42 8.619 8.619 8.899 -0.280 19210 3224 1 18 . 1 1 43 43 LYS N N 43 122.160 122.160 120.696 1.464 19210 3225 1 18 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.479 -0.330 19210 3226 1 18 . 1 1 43 43 LYS H H 43 7.535 7.535 7.314 0.221 19210 3227 1 18 . 1 1 44 44 ILE N N 44 128.214 128.214 129.335 -1.121 19210 3228 1 18 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.255 -0.137 19210 3229 1 18 . 1 1 44 44 ILE H H 44 8.902 8.902 8.733 0.169 19210 3230 1 18 . 1 1 45 45 CYS N N 45 123.076 123.076 123.708 -0.632 19210 3231 1 18 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.423 0.768 19210 3232 1 18 . 1 1 45 45 CYS H H 45 9.417 9.417 8.375 1.042 19210 3233 1 18 . 1 1 46 46 ARG N N 46 122.593 122.593 122.492 0.101 19210 3234 1 18 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.566 -0.091 19210 3235 1 18 . 1 1 46 46 ARG H H 46 7.611 7.611 7.404 0.207 19210 3236 1 18 . 1 1 47 47 ILE N N 47 126.701 126.701 125.364 1.337 19210 3237 1 18 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.112 0.176 19210 3238 1 18 . 1 1 47 47 ILE H H 47 8.517 8.517 8.641 -0.124 19210 3239 1 18 . 1 1 48 48 ALA N N 48 130.503 130.503 131.695 -1.192 19210 3240 1 18 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.457 -0.134 19210 3241 1 18 . 1 1 48 48 ALA H H 48 9.374 9.374 8.355 1.019 19210 3242 1 18 . 1 1 49 49 ARG N N 49 118.315 118.315 125.545 -7.230 19210 3243 1 18 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.216 0.182 19210 3244 1 18 . 1 1 49 49 ARG H H 49 8.331 8.331 8.992 -0.661 19210 3245 1 18 . 1 1 50 50 GLY N N 50 109.557 109.557 112.404 -2.847 19210 3246 1 18 . 1 1 50 50 GLY H H 50 8.426 8.426 8.495 -0.069 19210 3247 1 18 . 1 1 51 51 ASP N N 51 120.231 120.231 119.283 0.948 19210 3248 1 18 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.548 0.111 19210 3249 1 18 . 1 1 51 51 ASP H H 51 8.610 8.610 6.118 2.492 19210 3250 1 18 . 1 1 52 52 TRP N N 52 118.920 118.920 120.887 -1.967 19210 3251 1 18 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.891 -0.095 19210 3252 1 18 . 1 1 52 52 TRP H H 52 7.862 7.862 7.224 0.638 19210 3253 1 18 . 1 1 53 53 ASN N N 53 116.604 116.604 119.899 -3.295 19210 3254 1 18 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.795 0.005 19210 3255 1 18 . 1 1 53 53 ASN H H 53 8.325 8.325 8.598 -0.273 19210 3256 1 18 . 1 1 54 54 ASP N N 54 119.405 119.405 117.459 1.946 19210 3257 1 18 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.807 -0.103 19210 3258 1 18 . 1 1 54 54 ASP H H 54 8.186 8.186 8.403 -0.217 19210 3259 1 18 . 1 1 55 55 ASP N N 55 120.911 120.911 120.489 0.422 19210 3260 1 18 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.950 0.101 19210 3261 1 18 . 1 1 55 55 ASP H H 55 8.640 8.640 8.155 0.485 19210 3262 1 18 . 1 1 56 56 ARG N N 56 119.204 119.204 122.931 -3.727 19210 3263 1 18 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.891 0.450 19210 3264 1 18 . 1 1 56 56 ARG H H 56 8.234 8.234 8.572 -0.338 19210 3265 1 18 . 1 1 57 57 CYS N N 57 119.250 119.250 124.703 -5.453 19210 3266 1 18 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.244 0.640 19210 3267 1 18 . 1 1 57 57 CYS H H 57 9.344 9.344 8.917 0.427 19210 3268 1 18 . 1 1 58 58 THR N N 58 112.882 112.882 113.340 -0.458 19210 3269 1 18 . 1 1 58 58 THR HA H 58 4.442 4.442 4.259 0.183 19210 3270 1 18 . 1 1 58 58 THR H H 58 10.180 10.180 8.445 1.735 19210 3271 1 18 . 1 1 59 59 GLY N N 59 111.190 111.190 110.716 0.474 19210 3272 1 18 . 1 1 59 59 GLY H H 59 8.546 8.546 7.923 0.623 19210 3273 1 18 . 1 1 60 60 GLN N N 60 114.377 114.377 120.705 -6.328 19210 3274 1 18 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.281 0.017 19210 3275 1 18 . 1 1 60 60 GLN H H 60 7.986 7.986 8.029 -0.043 19210 3276 1 18 . 1 1 61 61 SER N N 61 110.403 110.403 114.688 -4.285 19210 3277 1 18 . 1 1 61 61 SER HA H 61 3.880 3.880 4.260 -0.380 19210 3278 1 18 . 1 1 61 61 SER H H 61 6.630 6.630 7.215 -0.585 19210 3279 1 18 . 1 1 62 62 ALA N N 62 125.118 125.118 122.910 2.208 19210 3280 1 18 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.342 0.093 19210 3281 1 18 . 1 1 62 62 ALA H H 62 9.027 9.027 8.212 0.815 19210 3282 1 18 . 1 1 63 63 ASP N N 63 116.936 116.936 119.807 -2.871 19210 3283 1 18 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.590 0.305 19210 3284 1 18 . 1 1 63 63 ASP H H 63 8.080 8.080 7.867 0.213 19210 3285 1 18 . 1 1 64 64 CYS N N 64 121.286 121.286 125.321 -4.035 19210 3286 1 18 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.333 1.070 19210 3287 1 18 . 1 1 64 64 CYS H H 64 8.924 8.924 8.424 0.500 19210 3288 1 18 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.507 -0.132 19210 3289 1 18 . 1 1 66 66 ARG N N 66 118.950 118.950 117.837 1.113 19210 3290 1 18 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.094 0.268 19210 3291 1 18 . 1 1 66 66 ARG H H 66 8.203 8.203 8.051 0.152 19210 3292 1 18 . 1 1 67 67 TYR N N 67 123.890 123.890 116.861 7.029 19210 3293 1 18 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.838 -0.379 19210 3294 1 18 . 1 1 67 67 TYR H H 67 8.650 8.650 8.451 0.199 19210 3295 1 19 . 1 1 2 2 LYS N N 2 120.685 120.685 124.046 -3.361 19210 3296 1 19 . 1 1 2 2 LYS H H 2 8.331 8.331 8.546 -0.215 19210 3297 1 19 . 1 1 3 3 GLU N N 3 120.726 120.726 119.853 0.873 19210 3298 1 19 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.445 -0.123 19210 3299 1 19 . 1 1 3 3 GLU H H 3 8.659 8.659 8.590 0.069 19210 3300 1 19 . 1 1 4 4 CYS N N 4 119.143 119.143 117.930 1.213 19210 3301 1 19 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.787 0.188 19210 3302 1 19 . 1 1 4 4 CYS H H 4 8.116 8.116 7.676 0.440 19210 3303 1 19 . 1 1 5 5 ASP N N 5 119.126 119.126 125.168 -6.042 19210 3304 1 19 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.869 -0.052 19210 3305 1 19 . 1 1 5 5 ASP H H 5 8.776 8.776 9.243 -0.467 19210 3306 1 19 . 1 1 6 6 CYS N N 6 112.124 112.124 117.963 -5.839 19210 3307 1 19 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.822 0.109 19210 3308 1 19 . 1 1 6 6 CYS H H 6 6.975 6.975 7.575 -0.600 19210 3309 1 19 . 1 1 7 7 SER N N 7 118.845 118.845 117.835 1.010 19210 3310 1 19 . 1 1 7 7 SER HA H 7 4.226 4.226 4.441 -0.215 19210 3311 1 19 . 1 1 7 7 SER H H 7 9.659 9.659 8.833 0.826 19210 3312 1 19 . 1 1 8 8 SER N N 8 115.212 115.212 116.794 -1.582 19210 3313 1 19 . 1 1 8 8 SER HA H 8 5.137 5.137 4.920 0.217 19210 3314 1 19 . 1 1 8 8 SER H H 8 7.862 7.862 7.467 0.395 19210 3315 1 19 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.442 0.117 19210 3316 1 19 . 1 1 10 10 GLU N N 10 116.255 116.255 118.351 -2.096 19210 3317 1 19 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.434 -0.141 19210 3318 1 19 . 1 1 10 10 GLU H H 10 8.244 8.244 8.111 0.133 19210 3319 1 19 . 1 1 11 11 ASN N N 11 120.176 120.176 118.965 1.211 19210 3320 1 19 . 1 1 11 11 ASN HA H 11 4.794 4.794 5.027 -0.233 19210 3321 1 19 . 1 1 11 11 ASN H H 11 7.260 7.260 7.604 -0.344 19210 3322 1 19 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.635 0.069 19210 3323 1 19 . 1 1 13 13 CYS N N 13 117.315 117.315 116.804 0.511 19210 3324 1 19 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.670 -0.022 19210 3325 1 19 . 1 1 13 13 CYS H H 13 8.931 8.931 8.107 0.824 19210 3326 1 19 . 1 1 14 14 CYS N N 14 111.828 111.828 118.323 -6.495 19210 3327 1 19 . 1 1 14 14 CYS HA H 14 5.056 5.056 5.045 0.011 19210 3328 1 19 . 1 1 14 14 CYS H H 14 7.543 7.543 7.516 0.027 19210 3329 1 19 . 1 1 15 15 ASP N N 15 120.797 120.797 124.890 -4.093 19210 3330 1 19 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.521 0.049 19210 3331 1 19 . 1 1 15 15 ASP H H 15 8.212 8.212 8.826 -0.614 19210 3332 1 19 . 1 1 16 16 ALA N N 16 130.631 130.631 129.339 1.292 19210 3333 1 19 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.170 -0.022 19210 3334 1 19 . 1 1 16 16 ALA H H 16 8.996 8.996 8.501 0.495 19210 3335 1 19 . 1 1 17 17 ALA N N 17 104.931 104.931 120.149 -15.218 19210 3336 1 19 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.082 0.279 19210 3337 1 19 . 1 1 17 17 ALA H H 17 8.669 8.669 8.052 0.617 19210 3338 1 19 . 1 1 18 18 THR N N 18 104.831 104.831 110.168 -5.337 19210 3339 1 19 . 1 1 18 18 THR HA H 18 4.445 4.445 4.355 0.090 19210 3340 1 19 . 1 1 18 18 THR H H 18 7.743 7.743 7.577 0.166 19210 3341 1 19 . 1 1 19 19 CYS N N 19 118.516 118.516 120.399 -1.883 19210 3342 1 19 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.163 0.479 19210 3343 1 19 . 1 1 19 19 CYS H H 19 8.601 8.601 8.573 0.028 19210 3344 1 19 . 1 1 20 20 LYS N N 20 117.755 117.755 118.177 -0.422 19210 3345 1 19 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.729 0.216 19210 3346 1 19 . 1 1 20 20 LYS H H 20 7.964 7.964 7.535 0.429 19210 3347 1 19 . 1 1 21 21 LEU N N 21 119.922 119.922 119.957 -0.035 19210 3348 1 19 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.565 -0.280 19210 3349 1 19 . 1 1 21 21 LEU H H 21 9.211 9.211 8.415 0.796 19210 3350 1 19 . 1 1 22 22 ARG N N 22 121.994 121.994 126.166 -4.172 19210 3351 1 19 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.448 0.000 19210 3352 1 19 . 1 1 22 22 ARG H H 22 8.490 8.490 8.254 0.236 19210 3353 1 19 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.487 -0.098 19210 3354 1 19 . 1 1 24 24 GLY N N 24 113.118 113.118 107.001 6.117 19210 3355 1 19 . 1 1 24 24 GLY H H 24 8.830 8.830 8.423 0.407 19210 3356 1 19 . 1 1 25 25 ALA N N 25 122.763 122.763 123.943 -1.180 19210 3357 1 19 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.584 -0.044 19210 3358 1 19 . 1 1 25 25 ALA H H 25 7.942 7.942 8.019 -0.077 19210 3359 1 19 . 1 1 26 26 GLN N N 26 117.396 117.396 122.518 -5.122 19210 3360 1 19 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.122 -0.009 19210 3361 1 19 . 1 1 26 26 GLN H H 26 8.827 8.827 8.179 0.648 19210 3362 1 19 . 1 1 27 27 CYS N N 27 112.799 112.799 111.093 1.706 19210 3363 1 19 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.916 -0.361 19210 3364 1 19 . 1 1 27 27 CYS H H 27 7.805 7.805 7.123 0.682 19210 3365 1 19 . 1 1 28 28 GLY N N 28 104.351 104.351 108.652 -4.301 19210 3366 1 19 . 1 1 28 28 GLY H H 28 9.163 9.163 8.733 0.430 19210 3367 1 19 . 1 1 29 29 GLU N N 29 117.534 117.534 117.768 -0.234 19210 3368 1 19 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.459 0.323 19210 3369 1 19 . 1 1 29 29 GLU H H 29 7.844 7.844 7.709 0.135 19210 3370 1 19 . 1 1 30 30 GLY N N 30 107.933 107.933 106.480 1.453 19210 3371 1 19 . 1 1 30 30 GLY H H 30 8.391 8.391 8.110 0.281 19210 3372 1 19 . 1 1 31 31 LEU N N 31 120.439 120.439 120.119 0.320 19210 3373 1 19 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.390 -0.036 19210 3374 1 19 . 1 1 31 31 LEU H H 31 8.960 8.960 8.144 0.816 19210 3375 1 19 . 1 1 32 32 CYS N N 32 114.457 114.457 115.011 -0.554 19210 3376 1 19 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.526 0.582 19210 3377 1 19 . 1 1 32 32 CYS H H 32 8.467 8.467 7.904 0.563 19210 3378 1 19 . 1 1 33 33 CYS N N 33 120.753 120.753 122.275 -1.522 19210 3379 1 19 . 1 1 33 33 CYS HA H 33 5.291 5.291 4.980 0.311 19210 3380 1 19 . 1 1 33 33 CYS H H 33 7.365 7.365 8.100 -0.735 19210 3381 1 19 . 1 1 34 34 GLU N N 34 128.062 128.062 128.643 -0.581 19210 3382 1 19 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.594 0.088 19210 3383 1 19 . 1 1 34 34 GLU H H 34 9.742 9.742 8.189 1.553 19210 3384 1 19 . 1 1 35 35 GLN N N 35 124.793 124.793 121.991 2.802 19210 3385 1 19 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.921 0.078 19210 3386 1 19 . 1 1 35 35 GLN H H 35 9.453 9.453 9.101 0.352 19210 3387 1 19 . 1 1 36 36 CYS N N 36 104.799 104.799 112.423 -7.624 19210 3388 1 19 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.172 0.629 19210 3389 1 19 . 1 1 36 36 CYS H H 36 8.492 8.492 8.425 0.067 19210 3390 1 19 . 1 1 37 37 LYS N N 37 120.580 120.580 117.949 2.631 19210 3391 1 19 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.375 0.328 19210 3392 1 19 . 1 1 37 37 LYS H H 37 8.024 8.024 7.507 0.517 19210 3393 1 19 . 1 1 38 38 PHE N N 38 119.267 119.267 120.441 -1.174 19210 3394 1 19 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.484 0.657 19210 3395 1 19 . 1 1 38 38 PHE H H 38 8.276 8.276 8.363 -0.087 19210 3396 1 19 . 1 1 39 39 SER N N 39 120.055 120.055 119.045 1.010 19210 3397 1 19 . 1 1 39 39 SER HA H 39 4.274 4.274 4.349 -0.075 19210 3398 1 19 . 1 1 39 39 SER H H 39 9.044 9.044 8.296 0.748 19210 3399 1 19 . 1 1 40 40 ARG N N 40 121.118 121.118 120.587 0.531 19210 3400 1 19 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.223 -0.122 19210 3401 1 19 . 1 1 40 40 ARG H H 40 8.573 8.573 8.433 0.140 19210 3402 1 19 . 1 1 41 41 ALA N N 41 123.139 123.139 122.786 0.353 19210 3403 1 19 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.402 -0.678 19210 3404 1 19 . 1 1 41 41 ALA H H 41 8.501 8.501 8.158 0.343 19210 3405 1 19 . 1 1 42 42 GLY N N 42 109.789 109.789 108.297 1.492 19210 3406 1 19 . 1 1 42 42 GLY H H 42 8.619 8.619 8.701 -0.082 19210 3407 1 19 . 1 1 43 43 LYS N N 43 122.160 122.160 120.664 1.496 19210 3408 1 19 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.612 -0.463 19210 3409 1 19 . 1 1 43 43 LYS H H 43 7.535 7.535 7.345 0.190 19210 3410 1 19 . 1 1 44 44 ILE N N 44 128.214 128.214 127.944 0.270 19210 3411 1 19 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.423 -0.305 19210 3412 1 19 . 1 1 44 44 ILE H H 44 8.902 8.902 8.764 0.138 19210 3413 1 19 . 1 1 45 45 CYS N N 45 123.076 123.076 124.406 -1.330 19210 3414 1 19 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.516 0.675 19210 3415 1 19 . 1 1 45 45 CYS H H 45 9.417 9.417 8.142 1.275 19210 3416 1 19 . 1 1 46 46 ARG N N 46 122.593 122.593 118.565 4.028 19210 3417 1 19 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.532 -0.057 19210 3418 1 19 . 1 1 46 46 ARG H H 46 7.611 7.611 7.527 0.084 19210 3419 1 19 . 1 1 47 47 ILE N N 47 126.701 126.701 124.485 2.216 19210 3420 1 19 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.149 0.139 19210 3421 1 19 . 1 1 47 47 ILE H H 47 8.517 8.517 8.425 0.092 19210 3422 1 19 . 1 1 48 48 ALA N N 48 130.503 130.503 132.153 -1.650 19210 3423 1 19 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.728 -0.405 19210 3424 1 19 . 1 1 48 48 ALA H H 48 9.374 9.374 8.242 1.132 19210 3425 1 19 . 1 1 49 49 ARG N N 49 118.315 118.315 120.576 -2.261 19210 3426 1 19 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.626 -0.228 19210 3427 1 19 . 1 1 49 49 ARG H H 49 8.331 8.331 8.685 -0.354 19210 3428 1 19 . 1 1 50 50 GLY N N 50 109.557 109.557 113.061 -3.504 19210 3429 1 19 . 1 1 50 50 GLY H H 50 8.426 8.426 8.506 -0.080 19210 3430 1 19 . 1 1 51 51 ASP N N 51 120.231 120.231 120.143 0.088 19210 3431 1 19 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.559 0.100 19210 3432 1 19 . 1 1 51 51 ASP H H 51 8.610 8.610 6.890 1.720 19210 3433 1 19 . 1 1 52 52 TRP N N 52 118.920 118.920 118.790 0.130 19210 3434 1 19 . 1 1 52 52 TRP HA H 52 4.796 4.796 5.090 -0.294 19210 3435 1 19 . 1 1 52 52 TRP H H 52 7.862 7.862 7.186 0.676 19210 3436 1 19 . 1 1 53 53 ASN N N 53 116.604 116.604 120.223 -3.619 19210 3437 1 19 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.838 -0.038 19210 3438 1 19 . 1 1 53 53 ASN H H 53 8.325 8.325 8.592 -0.267 19210 3439 1 19 . 1 1 54 54 ASP N N 54 119.405 119.405 119.072 0.333 19210 3440 1 19 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.758 -0.055 19210 3441 1 19 . 1 1 54 54 ASP H H 54 8.186 8.186 8.351 -0.165 19210 3442 1 19 . 1 1 55 55 ASP N N 55 120.911 120.911 120.059 0.852 19210 3443 1 19 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.844 0.207 19210 3444 1 19 . 1 1 55 55 ASP H H 55 8.640 8.640 8.202 0.438 19210 3445 1 19 . 1 1 56 56 ARG N N 56 119.204 119.204 122.622 -3.418 19210 3446 1 19 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.889 0.452 19210 3447 1 19 . 1 1 56 56 ARG H H 56 8.234 8.234 8.382 -0.148 19210 3448 1 19 . 1 1 57 57 CYS N N 57 119.250 119.250 126.088 -6.838 19210 3449 1 19 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.521 0.363 19210 3450 1 19 . 1 1 57 57 CYS H H 57 9.344 9.344 8.993 0.351 19210 3451 1 19 . 1 1 58 58 THR N N 58 112.882 112.882 114.525 -1.643 19210 3452 1 19 . 1 1 58 58 THR HA H 58 4.442 4.442 4.162 0.280 19210 3453 1 19 . 1 1 58 58 THR H H 58 10.180 10.180 8.806 1.374 19210 3454 1 19 . 1 1 59 59 GLY N N 59 111.190 111.190 108.742 2.448 19210 3455 1 19 . 1 1 59 59 GLY H H 59 8.546 8.546 8.222 0.324 19210 3456 1 19 . 1 1 60 60 GLN N N 60 114.377 114.377 118.374 -3.997 19210 3457 1 19 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.191 0.107 19210 3458 1 19 . 1 1 60 60 GLN H H 60 7.986 7.986 8.068 -0.082 19210 3459 1 19 . 1 1 61 61 SER N N 61 110.403 110.403 117.563 -7.160 19210 3460 1 19 . 1 1 61 61 SER HA H 61 3.880 3.880 4.266 -0.386 19210 3461 1 19 . 1 1 61 61 SER H H 61 6.630 6.630 7.500 -0.870 19210 3462 1 19 . 1 1 62 62 ALA N N 62 125.118 125.118 127.446 -2.328 19210 3463 1 19 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.309 0.126 19210 3464 1 19 . 1 1 62 62 ALA H H 62 9.027 9.027 8.162 0.865 19210 3465 1 19 . 1 1 63 63 ASP N N 63 116.936 116.936 118.339 -1.403 19210 3466 1 19 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.690 0.205 19210 3467 1 19 . 1 1 63 63 ASP H H 63 8.080 8.080 7.980 0.100 19210 3468 1 19 . 1 1 64 64 CYS N N 64 121.286 121.286 123.323 -2.037 19210 3469 1 19 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.376 1.027 19210 3470 1 19 . 1 1 64 64 CYS H H 64 8.924 8.924 8.111 0.813 19210 3471 1 19 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.473 -0.098 19210 3472 1 19 . 1 1 66 66 ARG N N 66 118.950 118.950 117.136 1.814 19210 3473 1 19 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.022 0.340 19210 3474 1 19 . 1 1 66 66 ARG H H 66 8.203 8.203 8.012 0.191 19210 3475 1 19 . 1 1 67 67 TYR N N 67 123.890 123.890 120.820 3.070 19210 3476 1 19 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.624 -0.165 19210 3477 1 19 . 1 1 67 67 TYR H H 67 8.650 8.650 8.199 0.451 19210 3478 1 20 . 1 1 2 2 LYS N N 2 120.685 120.685 120.921 -0.236 19210 3479 1 20 . 1 1 2 2 LYS H H 2 8.331 8.331 8.351 -0.020 19210 3480 1 20 . 1 1 3 3 GLU N N 3 120.726 120.726 116.446 4.280 19210 3481 1 20 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.438 -0.116 19210 3482 1 20 . 1 1 3 3 GLU H H 3 8.659 8.659 8.044 0.615 19210 3483 1 20 . 1 1 4 4 CYS N N 4 119.143 119.143 120.874 -1.731 19210 3484 1 20 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.741 0.234 19210 3485 1 20 . 1 1 4 4 CYS H H 4 8.116 8.116 7.983 0.133 19210 3486 1 20 . 1 1 5 5 ASP N N 5 119.126 119.126 125.398 -6.272 19210 3487 1 20 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.825 -0.008 19210 3488 1 20 . 1 1 5 5 ASP H H 5 8.776 8.776 9.153 -0.377 19210 3489 1 20 . 1 1 6 6 CYS N N 6 112.124 112.124 116.359 -4.235 19210 3490 1 20 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.779 0.152 19210 3491 1 20 . 1 1 6 6 CYS H H 6 6.975 6.975 7.622 -0.647 19210 3492 1 20 . 1 1 7 7 SER N N 7 118.845 118.845 116.595 2.250 19210 3493 1 20 . 1 1 7 7 SER HA H 7 4.226 4.226 4.395 -0.169 19210 3494 1 20 . 1 1 7 7 SER H H 7 9.659 9.659 8.663 0.996 19210 3495 1 20 . 1 1 8 8 SER N N 8 115.212 115.212 117.918 -2.706 19210 3496 1 20 . 1 1 8 8 SER HA H 8 5.137 5.137 4.799 0.338 19210 3497 1 20 . 1 1 8 8 SER H H 8 7.862 7.862 7.790 0.072 19210 3498 1 20 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.495 0.064 19210 3499 1 20 . 1 1 10 10 GLU N N 10 116.255 116.255 116.855 -0.600 19210 3500 1 20 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.486 -0.192 19210 3501 1 20 . 1 1 10 10 GLU H H 10 8.244 8.244 8.188 0.056 19210 3502 1 20 . 1 1 11 11 ASN N N 11 120.176 120.176 119.551 0.625 19210 3503 1 20 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.900 -0.106 19210 3504 1 20 . 1 1 11 11 ASN H H 11 7.260 7.260 7.484 -0.224 19210 3505 1 20 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.492 0.212 19210 3506 1 20 . 1 1 13 13 CYS N N 13 117.315 117.315 116.770 0.545 19210 3507 1 20 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.473 0.175 19210 3508 1 20 . 1 1 13 13 CYS H H 13 8.931 8.931 8.224 0.707 19210 3509 1 20 . 1 1 14 14 CYS N N 14 111.828 111.828 118.543 -6.715 19210 3510 1 20 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.662 0.394 19210 3511 1 20 . 1 1 14 14 CYS H H 14 7.543 7.543 7.379 0.164 19210 3512 1 20 . 1 1 15 15 ASP N N 15 120.797 120.797 126.167 -5.370 19210 3513 1 20 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.486 0.084 19210 3514 1 20 . 1 1 15 15 ASP H H 15 8.212 8.212 8.855 -0.643 19210 3515 1 20 . 1 1 16 16 ALA N N 16 130.631 130.631 129.853 0.778 19210 3516 1 20 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.096 0.052 19210 3517 1 20 . 1 1 16 16 ALA H H 16 8.996 8.996 8.576 0.420 19210 3518 1 20 . 1 1 17 17 ALA N N 17 104.931 104.931 121.754 -16.823 19210 3519 1 20 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.021 0.340 19210 3520 1 20 . 1 1 17 17 ALA H H 17 8.669 8.669 8.401 0.268 19210 3521 1 20 . 1 1 18 18 THR N N 18 104.831 104.831 104.474 0.357 19210 3522 1 20 . 1 1 18 18 THR HA H 18 4.445 4.445 4.372 0.073 19210 3523 1 20 . 1 1 18 18 THR H H 18 7.743 7.743 7.617 0.126 19210 3524 1 20 . 1 1 19 19 CYS N N 19 118.516 118.516 120.327 -1.811 19210 3525 1 20 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.100 0.542 19210 3526 1 20 . 1 1 19 19 CYS H H 19 8.601 8.601 8.426 0.175 19210 3527 1 20 . 1 1 20 20 LYS N N 20 117.755 117.755 117.882 -0.127 19210 3528 1 20 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.780 0.165 19210 3529 1 20 . 1 1 20 20 LYS H H 20 7.964 7.964 7.547 0.417 19210 3530 1 20 . 1 1 21 21 LEU N N 21 119.922 119.922 121.498 -1.576 19210 3531 1 20 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.331 -0.046 19210 3532 1 20 . 1 1 21 21 LEU H H 21 9.211 9.211 8.621 0.590 19210 3533 1 20 . 1 1 22 22 ARG N N 22 121.994 121.994 125.718 -3.724 19210 3534 1 20 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.350 0.098 19210 3535 1 20 . 1 1 22 22 ARG H H 22 8.490 8.490 8.100 0.390 19210 3536 1 20 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.502 -0.113 19210 3537 1 20 . 1 1 24 24 GLY N N 24 113.118 113.118 105.806 7.312 19210 3538 1 20 . 1 1 24 24 GLY H H 24 8.830 8.830 8.374 0.456 19210 3539 1 20 . 1 1 25 25 ALA N N 25 122.763 122.763 121.597 1.166 19210 3540 1 20 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.239 0.301 19210 3541 1 20 . 1 1 25 25 ALA H H 25 7.942 7.942 7.230 0.712 19210 3542 1 20 . 1 1 26 26 GLN N N 26 117.396 117.396 119.665 -2.269 19210 3543 1 20 . 1 1 26 26 GLN HA H 26 4.113 4.113 3.884 0.229 19210 3544 1 20 . 1 1 26 26 GLN H H 26 8.827 8.827 8.204 0.623 19210 3545 1 20 . 1 1 27 27 CYS N N 27 112.799 112.799 116.744 -3.945 19210 3546 1 20 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.541 0.014 19210 3547 1 20 . 1 1 27 27 CYS H H 27 7.805 7.805 7.150 0.655 19210 3548 1 20 . 1 1 28 28 GLY N N 28 104.351 104.351 108.970 -4.619 19210 3549 1 20 . 1 1 28 28 GLY H H 28 9.163 9.163 8.572 0.591 19210 3550 1 20 . 1 1 29 29 GLU N N 29 117.534 117.534 117.765 -0.231 19210 3551 1 20 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.486 0.296 19210 3552 1 20 . 1 1 29 29 GLU H H 29 7.844 7.844 7.638 0.206 19210 3553 1 20 . 1 1 30 30 GLY N N 30 107.933 107.933 107.702 0.231 19210 3554 1 20 . 1 1 30 30 GLY H H 30 8.391 8.391 8.062 0.329 19210 3555 1 20 . 1 1 31 31 LEU N N 31 120.439 120.439 120.913 -0.474 19210 3556 1 20 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.284 0.070 19210 3557 1 20 . 1 1 31 31 LEU H H 31 8.960 8.960 8.247 0.713 19210 3558 1 20 . 1 1 32 32 CYS N N 32 114.457 114.457 119.592 -5.135 19210 3559 1 20 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.683 0.425 19210 3560 1 20 . 1 1 32 32 CYS H H 32 8.467 8.467 7.853 0.614 19210 3561 1 20 . 1 1 33 33 CYS N N 33 120.753 120.753 121.700 -0.947 19210 3562 1 20 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.540 -0.249 19210 3563 1 20 . 1 1 33 33 CYS H H 33 7.365 7.365 7.973 -0.608 19210 3564 1 20 . 1 1 34 34 GLU N N 34 128.062 128.062 125.546 2.516 19210 3565 1 20 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.404 0.278 19210 3566 1 20 . 1 1 34 34 GLU H H 34 9.742 9.742 8.167 1.575 19210 3567 1 20 . 1 1 35 35 GLN N N 35 124.793 124.793 122.391 2.402 19210 3568 1 20 . 1 1 35 35 GLN HA H 35 3.999 3.999 4.042 -0.043 19210 3569 1 20 . 1 1 35 35 GLN H H 35 9.453 9.453 8.845 0.608 19210 3570 1 20 . 1 1 36 36 CYS N N 36 104.799 104.799 114.282 -9.483 19210 3571 1 20 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.185 0.616 19210 3572 1 20 . 1 1 36 36 CYS H H 36 8.492 8.492 8.341 0.151 19210 3573 1 20 . 1 1 37 37 LYS N N 37 120.580 120.580 116.585 3.995 19210 3574 1 20 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.434 0.269 19210 3575 1 20 . 1 1 37 37 LYS H H 37 8.024 8.024 7.508 0.516 19210 3576 1 20 . 1 1 38 38 PHE N N 38 119.267 119.267 120.000 -0.733 19210 3577 1 20 . 1 1 38 38 PHE HA H 38 5.141 5.141 5.025 0.116 19210 3578 1 20 . 1 1 38 38 PHE H H 38 8.276 8.276 8.410 -0.134 19210 3579 1 20 . 1 1 39 39 SER N N 39 120.055 120.055 120.621 -0.566 19210 3580 1 20 . 1 1 39 39 SER HA H 39 4.274 4.274 4.370 -0.096 19210 3581 1 20 . 1 1 39 39 SER H H 39 9.044 9.044 8.727 0.317 19210 3582 1 20 . 1 1 40 40 ARG N N 40 121.118 121.118 120.594 0.524 19210 3583 1 20 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.455 -0.354 19210 3584 1 20 . 1 1 40 40 ARG H H 40 8.573 8.573 8.449 0.124 19210 3585 1 20 . 1 1 41 41 ALA N N 41 123.139 123.139 122.396 0.743 19210 3586 1 20 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.476 -0.752 19210 3587 1 20 . 1 1 41 41 ALA H H 41 8.501 8.501 8.315 0.186 19210 3588 1 20 . 1 1 42 42 GLY N N 42 109.789 109.789 107.622 2.167 19210 3589 1 20 . 1 1 42 42 GLY H H 42 8.619 8.619 8.415 0.204 19210 3590 1 20 . 1 1 43 43 LYS N N 43 122.160 122.160 120.548 1.612 19210 3591 1 20 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.517 -0.368 19210 3592 1 20 . 1 1 43 43 LYS H H 43 7.535 7.535 7.262 0.273 19210 3593 1 20 . 1 1 44 44 ILE N N 44 128.214 128.214 129.929 -1.715 19210 3594 1 20 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.345 -0.227 19210 3595 1 20 . 1 1 44 44 ILE H H 44 8.902 8.902 8.683 0.219 19210 3596 1 20 . 1 1 45 45 CYS N N 45 123.076 123.076 123.579 -0.503 19210 3597 1 20 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.228 0.963 19210 3598 1 20 . 1 1 45 45 CYS H H 45 9.417 9.417 8.708 0.709 19210 3599 1 20 . 1 1 46 46 ARG N N 46 122.593 122.593 118.819 3.774 19210 3600 1 20 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.571 -0.096 19210 3601 1 20 . 1 1 46 46 ARG H H 46 7.611 7.611 7.489 0.122 19210 3602 1 20 . 1 1 47 47 ILE N N 47 126.701 126.701 119.561 7.140 19210 3603 1 20 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.621 -0.333 19210 3604 1 20 . 1 1 47 47 ILE H H 47 8.517 8.517 8.438 0.079 19210 3605 1 20 . 1 1 48 48 ALA N N 48 130.503 130.503 127.968 2.535 19210 3606 1 20 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.551 -0.228 19210 3607 1 20 . 1 1 48 48 ALA H H 48 9.374 9.374 9.068 0.306 19210 3608 1 20 . 1 1 49 49 ARG N N 49 118.315 118.315 125.795 -7.480 19210 3609 1 20 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.088 0.310 19210 3610 1 20 . 1 1 49 49 ARG H H 49 8.331 8.331 8.342 -0.011 19210 3611 1 20 . 1 1 50 50 GLY N N 50 109.557 109.557 112.535 -2.978 19210 3612 1 20 . 1 1 50 50 GLY H H 50 8.426 8.426 8.073 0.353 19210 3613 1 20 . 1 1 51 51 ASP N N 51 120.231 120.231 117.460 2.771 19210 3614 1 20 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.359 0.300 19210 3615 1 20 . 1 1 51 51 ASP H H 51 8.610 8.610 7.085 1.525 19210 3616 1 20 . 1 1 52 52 TRP N N 52 118.920 118.920 120.610 -1.690 19210 3617 1 20 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.501 0.295 19210 3618 1 20 . 1 1 52 52 TRP H H 52 7.862 7.862 6.952 0.910 19210 3619 1 20 . 1 1 53 53 ASN N N 53 116.604 116.604 119.069 -2.465 19210 3620 1 20 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.614 0.186 19210 3621 1 20 . 1 1 53 53 ASN H H 53 8.325 8.325 8.392 -0.067 19210 3622 1 20 . 1 1 54 54 ASP N N 54 119.405 119.405 121.190 -1.785 19210 3623 1 20 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.756 -0.052 19210 3624 1 20 . 1 1 54 54 ASP H H 54 8.186 8.186 8.392 -0.206 19210 3625 1 20 . 1 1 55 55 ASP N N 55 120.911 120.911 119.744 1.167 19210 3626 1 20 . 1 1 55 55 ASP HA H 55 5.051 5.051 5.007 0.044 19210 3627 1 20 . 1 1 55 55 ASP H H 55 8.640 8.640 8.931 -0.291 19210 3628 1 20 . 1 1 56 56 ARG N N 56 119.204 119.204 123.381 -4.177 19210 3629 1 20 . 1 1 56 56 ARG HA H 56 5.341 5.341 5.095 0.246 19210 3630 1 20 . 1 1 56 56 ARG H H 56 8.234 8.234 8.511 -0.277 19210 3631 1 20 . 1 1 57 57 CYS N N 57 119.250 119.250 125.544 -6.294 19210 3632 1 20 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.442 0.442 19210 3633 1 20 . 1 1 57 57 CYS H H 57 9.344 9.344 8.860 0.484 19210 3634 1 20 . 1 1 58 58 THR N N 58 112.882 112.882 112.548 0.334 19210 3635 1 20 . 1 1 58 58 THR HA H 58 4.442 4.442 4.096 0.346 19210 3636 1 20 . 1 1 58 58 THR H H 58 10.180 10.180 8.507 1.673 19210 3637 1 20 . 1 1 59 59 GLY N N 59 111.190 111.190 109.033 2.157 19210 3638 1 20 . 1 1 59 59 GLY H H 59 8.546 8.546 8.178 0.368 19210 3639 1 20 . 1 1 60 60 GLN N N 60 114.377 114.377 119.653 -5.276 19210 3640 1 20 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.185 0.113 19210 3641 1 20 . 1 1 60 60 GLN H H 60 7.986 7.986 7.636 0.350 19210 3642 1 20 . 1 1 61 61 SER N N 61 110.403 110.403 117.142 -6.739 19210 3643 1 20 . 1 1 61 61 SER HA H 61 3.880 3.880 4.073 -0.193 19210 3644 1 20 . 1 1 61 61 SER H H 61 6.630 6.630 7.258 -0.628 19210 3645 1 20 . 1 1 62 62 ALA N N 62 125.118 125.118 126.341 -1.223 19210 3646 1 20 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.622 -0.187 19210 3647 1 20 . 1 1 62 62 ALA H H 62 9.027 9.027 8.412 0.615 19210 3648 1 20 . 1 1 63 63 ASP N N 63 116.936 116.936 119.525 -2.589 19210 3649 1 20 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.690 0.205 19210 3650 1 20 . 1 1 63 63 ASP H H 63 8.080 8.080 8.001 0.079 19210 3651 1 20 . 1 1 64 64 CYS N N 64 121.286 121.286 122.171 -0.885 19210 3652 1 20 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.314 1.089 19210 3653 1 20 . 1 1 64 64 CYS H H 64 8.924 8.924 7.995 0.929 19210 3654 1 20 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.580 -0.205 19210 3655 1 20 . 1 1 66 66 ARG N N 66 118.950 118.950 116.311 2.639 19210 3656 1 20 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.386 -0.024 19210 3657 1 20 . 1 1 66 66 ARG H H 66 8.203 8.203 8.043 0.160 19210 3658 1 20 . 1 1 67 67 TYR N N 67 123.890 123.890 120.511 3.379 19210 3659 1 20 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.651 -0.192 19210 3660 1 20 . 1 1 67 67 TYR H H 67 8.650 8.650 8.348 0.302 19210 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 3.790 1.233 3.613 19210 2 1 1 "Average Difference" HA 71 0.362 -0.112 0.347 19210 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19210 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19210 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19210 6 1 1 "Average Difference" HN 62 0.555 -0.226 0.510 19210 7 1 2 "Average Difference" N 62 3.877 1.098 3.749 19210 8 1 2 "Average Difference" HA 71 0.372 -0.138 0.348 19210 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19210 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19210 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19210 12 1 2 "Average Difference" HN 62 0.589 -0.286 0.520 19210 13 1 3 "Average Difference" N 62 3.700 1.177 3.537 19210 14 1 3 "Average Difference" HA 71 0.362 -0.119 0.344 19210 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19210 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19210 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19210 18 1 3 "Average Difference" HN 62 0.578 -0.290 0.505 19210 19 1 4 "Average Difference" N 62 4.197 1.245 4.040 19210 20 1 4 "Average Difference" HA 71 0.394 -0.128 0.376 19210 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19210 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19210 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19210 24 1 4 "Average Difference" HN 62 0.506 -0.261 0.437 19210 25 1 5 "Average Difference" N 62 3.585 0.851 3.511 19210 26 1 5 "Average Difference" HA 71 0.382 -0.131 0.361 19210 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19210 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19210 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19210 30 1 5 "Average Difference" HN 62 0.609 -0.298 0.536 19210 31 1 6 "Average Difference" N 62 4.077 1.368 3.872 19210 32 1 6 "Average Difference" HA 71 0.344 -0.109 0.329 19210 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19210 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19210 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19210 36 1 6 "Average Difference" HN 62 0.563 -0.256 0.506 19210 37 1 7 "Average Difference" N 62 3.743 1.005 3.635 19210 38 1 7 "Average Difference" HA 71 0.353 -0.133 0.330 19210 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19210 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19210 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19210 42 1 7 "Average Difference" HN 62 0.610 -0.291 0.541 19210 43 1 8 "Average Difference" N 62 4.077 1.262 3.909 19210 44 1 8 "Average Difference" HA 71 0.373 -0.119 0.356 19210 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19210 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19210 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19210 48 1 8 "Average Difference" HN 62 0.588 -0.275 0.524 19210 49 1 9 "Average Difference" N 62 3.865 1.072 3.744 19210 50 1 9 "Average Difference" HA 71 0.340 -0.118 0.321 19210 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19210 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19210 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19210 54 1 9 "Average Difference" HN 62 0.601 -0.280 0.537 19210 55 1 10 "Average Difference" N 62 4.035 1.389 3.819 19210 56 1 10 "Average Difference" HA 71 0.404 -0.131 0.385 19210 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19210 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19210 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19210 60 1 10 "Average Difference" HN 62 0.510 -0.231 0.459 19210 61 1 11 "Average Difference" N 62 4.017 1.066 3.904 19210 62 1 11 "Average Difference" HA 71 0.367 -0.132 0.345 19210 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19210 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19210 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19210 66 1 11 "Average Difference" HN 62 0.533 -0.260 0.468 19210 67 1 12 "Average Difference" N 62 3.739 1.220 3.563 19210 68 1 12 "Average Difference" HA 71 0.372 -0.121 0.354 19210 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19210 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19210 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19210 72 1 12 "Average Difference" HN 62 0.636 -0.292 0.570 19210 73 1 13 "Average Difference" N 62 3.936 1.383 3.715 19210 74 1 13 "Average Difference" HA 71 0.347 -0.146 0.317 19210 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19210 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19210 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19210 78 1 13 "Average Difference" HN 62 0.632 -0.294 0.564 19210 79 1 14 "Average Difference" N 62 3.776 1.146 3.628 19210 80 1 14 "Average Difference" HA 71 0.343 -0.113 0.326 19210 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19210 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19210 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19210 84 1 14 "Average Difference" HN 62 0.564 -0.283 0.492 19210 85 1 15 "Average Difference" N 62 3.799 1.261 3.612 19210 86 1 15 "Average Difference" HA 71 0.346 -0.137 0.320 19210 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19210 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19210 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19210 90 1 15 "Average Difference" HN 62 0.560 -0.272 0.494 19210 91 1 16 "Average Difference" N 62 3.993 1.336 3.793 19210 92 1 16 "Average Difference" HA 71 0.360 -0.109 0.346 19210 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19210 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19210 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 19210 96 1 16 "Average Difference" HN 62 0.591 -0.236 0.547 19210 97 1 17 "Average Difference" N 62 3.893 1.191 3.736 19210 98 1 17 "Average Difference" HA 71 0.368 -0.125 0.348 19210 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19210 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19210 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 19210 102 1 17 "Average Difference" HN 62 0.579 -0.256 0.523 19210 103 1 18 "Average Difference" N 62 4.036 1.493 3.781 19210 104 1 18 "Average Difference" HA 71 0.380 -0.134 0.358 19210 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19210 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19210 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 19210 108 1 18 "Average Difference" HN 62 0.609 -0.284 0.543 19210 109 1 19 "Average Difference" N 62 3.644 1.271 3.443 19210 110 1 19 "Average Difference" HA 71 0.368 -0.119 0.351 19210 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19210 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 19210 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 19210 114 1 19 "Average Difference" HN 62 0.598 -0.293 0.525 19210 115 1 20 "Average Difference" N 62 4.104 1.109 3.983 19210 116 1 20 "Average Difference" HA 71 0.371 -0.141 0.345 19210 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19210 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19210 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 19210 120 1 20 "Average Difference" HN 62 0.565 -0.307 0.479 19210 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 19210 _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 LYS N N 2 120.685 120.685 122.338 -1.653 19210 2 1 . 1 1 2 2 LYS H H 2 8.331 8.331 8.281 0.050 19210 3 1 . 1 1 3 3 GLU N N 3 120.726 120.726 119.252 1.474 19210 4 1 . 1 1 3 3 GLU HA H 3 4.322 4.322 4.435 -0.113 19210 5 1 . 1 1 3 3 GLU H H 3 8.659 8.659 8.518 0.141 19210 6 1 . 1 1 4 4 CYS N N 4 119.143 119.143 119.442 -0.299 19210 7 1 . 1 1 4 4 CYS HA H 4 4.975 4.975 4.787 0.188 19210 8 1 . 1 1 4 4 CYS H H 4 8.116 8.116 7.920 0.195 19210 9 1 . 1 1 5 5 ASP N N 5 119.126 119.126 124.763 -5.637 19210 10 1 . 1 1 5 5 ASP HA H 5 4.817 4.817 4.765 0.052 19210 11 1 . 1 1 5 5 ASP H H 5 8.776 8.776 8.932 -0.156 19210 12 1 . 1 1 6 6 CYS N N 6 112.124 112.124 114.859 -2.735 19210 13 1 . 1 1 6 6 CYS HA H 6 4.931 4.931 4.827 0.104 19210 14 1 . 1 1 6 6 CYS H H 6 6.975 6.975 7.541 -0.566 19210 15 1 . 1 1 7 7 SER N N 7 118.845 118.845 116.485 2.360 19210 16 1 . 1 1 7 7 SER HA H 7 4.226 4.226 4.501 -0.275 19210 17 1 . 1 1 7 7 SER H H 7 9.659 9.659 8.774 0.885 19210 18 1 . 1 1 8 8 SER N N 8 115.212 115.212 117.980 -2.768 19210 19 1 . 1 1 8 8 SER HA H 8 5.137 5.137 4.850 0.287 19210 20 1 . 1 1 8 8 SER H H 8 7.862 7.862 7.715 0.147 19210 21 1 . 1 1 9 9 PRO HA H 9 4.559 4.559 4.505 0.054 19210 22 1 . 1 1 10 10 GLU N N 10 116.255 116.255 117.302 -1.047 19210 23 1 . 1 1 10 10 GLU HA H 10 4.294 4.294 4.342 -0.048 19210 24 1 . 1 1 10 10 GLU H H 10 8.244 8.244 8.186 0.058 19210 25 1 . 1 1 11 11 ASN N N 11 120.176 120.176 119.775 0.401 19210 26 1 . 1 1 11 11 ASN HA H 11 4.794 4.794 4.876 -0.082 19210 27 1 . 1 1 11 11 ASN H H 11 7.260 7.260 7.516 -0.256 19210 28 1 . 1 1 12 12 PRO HA H 12 4.704 4.704 4.493 0.211 19210 29 1 . 1 1 13 13 CYS N N 13 117.315 117.315 116.941 0.374 19210 30 1 . 1 1 13 13 CYS HA H 13 4.648 4.648 4.471 0.177 19210 31 1 . 1 1 13 13 CYS H H 13 8.931 8.931 8.424 0.506 19210 32 1 . 1 1 14 14 CYS N N 14 111.828 111.828 117.452 -5.624 19210 33 1 . 1 1 14 14 CYS HA H 14 5.056 5.056 4.807 0.249 19210 34 1 . 1 1 14 14 CYS H H 14 7.543 7.543 7.510 0.033 19210 35 1 . 1 1 15 15 ASP N N 15 120.797 120.797 124.844 -4.047 19210 36 1 . 1 1 15 15 ASP HA H 15 4.570 4.570 4.544 0.026 19210 37 1 . 1 1 15 15 ASP H H 15 8.212 8.212 8.742 -0.530 19210 38 1 . 1 1 16 16 ALA N N 16 130.631 130.631 129.474 1.157 19210 39 1 . 1 1 16 16 ALA HA H 16 4.148 4.148 4.079 0.069 19210 40 1 . 1 1 16 16 ALA H H 16 8.996 8.996 8.596 0.400 19210 41 1 . 1 1 17 17 ALA N N 17 104.931 104.931 121.816 -16.885 19210 42 1 . 1 1 17 17 ALA HA H 17 4.361 4.361 4.056 0.305 19210 43 1 . 1 1 17 17 ALA H H 17 8.669 8.669 8.270 0.399 19210 44 1 . 1 1 18 18 THR N N 18 104.831 104.831 109.101 -4.270 19210 45 1 . 1 1 18 18 THR HA H 18 4.445 4.445 4.324 0.121 19210 46 1 . 1 1 18 18 THR H H 18 7.743 7.743 7.804 -0.061 19210 47 1 . 1 1 19 19 CYS N N 19 118.516 118.516 118.905 -0.389 19210 48 1 . 1 1 19 19 CYS HA H 19 4.642 4.642 4.147 0.495 19210 49 1 . 1 1 19 19 CYS H H 19 8.601 8.601 8.116 0.485 19210 50 1 . 1 1 20 20 LYS N N 20 117.755 117.755 117.797 -0.042 19210 51 1 . 1 1 20 20 LYS HA H 20 4.945 4.945 4.692 0.253 19210 52 1 . 1 1 20 20 LYS H H 20 7.964 7.964 7.488 0.476 19210 53 1 . 1 1 21 21 LEU N N 21 119.922 119.922 121.280 -1.358 19210 54 1 . 1 1 21 21 LEU HA H 21 4.285 4.285 4.372 -0.087 19210 55 1 . 1 1 21 21 LEU H H 21 9.211 9.211 8.615 0.596 19210 56 1 . 1 1 22 22 ARG N N 22 121.994 121.994 125.717 -3.723 19210 57 1 . 1 1 22 22 ARG HA H 22 4.448 4.448 4.390 0.058 19210 58 1 . 1 1 22 22 ARG H H 22 8.490 8.490 8.119 0.371 19210 59 1 . 1 1 23 23 PRO HA H 23 4.389 4.389 4.520 -0.131 19210 60 1 . 1 1 24 24 GLY N N 24 113.118 113.118 106.349 6.769 19210 61 1 . 1 1 24 24 GLY H H 24 8.830 8.830 8.315 0.515 19210 62 1 . 1 1 25 25 ALA N N 25 122.763 122.763 121.854 0.909 19210 63 1 . 1 1 25 25 ALA HA H 25 4.540 4.540 4.239 0.301 19210 64 1 . 1 1 25 25 ALA H H 25 7.942 7.942 7.432 0.510 19210 65 1 . 1 1 26 26 GLN N N 26 117.396 117.396 120.392 -2.996 19210 66 1 . 1 1 26 26 GLN HA H 26 4.113 4.113 4.076 0.037 19210 67 1 . 1 1 26 26 GLN H H 26 8.827 8.827 8.417 0.410 19210 68 1 . 1 1 27 27 CYS N N 27 112.799 112.799 114.776 -1.977 19210 69 1 . 1 1 27 27 CYS HA H 27 4.555 4.555 4.777 -0.222 19210 70 1 . 1 1 27 27 CYS H H 27 7.805 7.805 7.423 0.382 19210 71 1 . 1 1 28 28 GLY N N 28 104.351 104.351 109.687 -5.336 19210 72 1 . 1 1 28 28 GLY H H 28 9.163 9.163 8.750 0.413 19210 73 1 . 1 1 29 29 GLU N N 29 117.534 117.534 118.059 -0.525 19210 74 1 . 1 1 29 29 GLU HA H 29 4.782 4.782 4.504 0.278 19210 75 1 . 1 1 29 29 GLU H H 29 7.844 7.844 7.660 0.184 19210 76 1 . 1 1 30 30 GLY N N 30 107.933 107.933 108.256 -0.323 19210 77 1 . 1 1 30 30 GLY H H 30 8.391 8.391 8.057 0.334 19210 78 1 . 1 1 31 31 LEU N N 31 120.439 120.439 121.136 -0.697 19210 79 1 . 1 1 31 31 LEU HA H 31 4.354 4.354 4.344 0.010 19210 80 1 . 1 1 31 31 LEU H H 31 8.960 8.960 8.342 0.618 19210 81 1 . 1 1 32 32 CYS N N 32 114.457 114.457 117.831 -3.374 19210 82 1 . 1 1 32 32 CYS HA H 32 5.108 5.108 4.594 0.514 19210 83 1 . 1 1 32 32 CYS H H 32 8.467 8.467 7.912 0.555 19210 84 1 . 1 1 33 33 CYS N N 33 120.753 120.753 121.285 -0.532 19210 85 1 . 1 1 33 33 CYS HA H 33 5.291 5.291 5.367 -0.076 19210 86 1 . 1 1 33 33 CYS H H 33 7.365 7.365 7.926 -0.561 19210 87 1 . 1 1 34 34 GLU N N 34 128.062 128.062 126.161 1.901 19210 88 1 . 1 1 34 34 GLU HA H 34 4.682 4.682 4.510 0.172 19210 89 1 . 1 1 34 34 GLU H H 34 9.742 9.742 8.346 1.396 19210 90 1 . 1 1 35 35 GLN N N 35 124.793 124.793 122.781 2.012 19210 91 1 . 1 1 35 35 GLN HA H 35 3.999 3.999 3.978 0.021 19210 92 1 . 1 1 35 35 GLN H H 35 9.453 9.453 9.054 0.399 19210 93 1 . 1 1 36 36 CYS N N 36 104.799 104.799 113.410 -8.611 19210 94 1 . 1 1 36 36 CYS HA H 36 4.801 4.801 4.179 0.622 19210 95 1 . 1 1 36 36 CYS H H 36 8.492 8.492 8.459 0.033 19210 96 1 . 1 1 37 37 LYS N N 37 120.580 120.580 117.693 2.887 19210 97 1 . 1 1 37 37 LYS HA H 37 4.703 4.703 4.477 0.226 19210 98 1 . 1 1 37 37 LYS H H 37 8.024 8.024 7.425 0.599 19210 99 1 . 1 1 38 38 PHE N N 38 119.267 119.267 120.031 -0.764 19210 100 1 . 1 1 38 38 PHE HA H 38 5.141 5.141 4.802 0.339 19210 101 1 . 1 1 38 38 PHE H H 38 8.276 8.276 8.469 -0.193 19210 102 1 . 1 1 39 39 SER N N 39 120.055 120.055 120.571 -0.516 19210 103 1 . 1 1 39 39 SER HA H 39 4.274 4.274 4.378 -0.104 19210 104 1 . 1 1 39 39 SER H H 39 9.044 9.044 8.825 0.219 19210 105 1 . 1 1 40 40 ARG N N 40 121.118 121.118 119.966 1.152 19210 106 1 . 1 1 40 40 ARG HA H 40 4.101 4.101 4.396 -0.295 19210 107 1 . 1 1 40 40 ARG H H 40 8.573 8.573 8.384 0.189 19210 108 1 . 1 1 41 41 ALA N N 41 123.139 123.139 121.983 1.156 19210 109 1 . 1 1 41 41 ALA HA H 41 3.724 3.724 4.495 -0.771 19210 110 1 . 1 1 41 41 ALA H H 41 8.501 8.501 8.176 0.325 19210 111 1 . 1 1 42 42 GLY N N 42 109.789 109.789 107.949 1.840 19210 112 1 . 1 1 42 42 GLY H H 42 8.619 8.619 8.696 -0.077 19210 113 1 . 1 1 43 43 LYS N N 43 122.160 122.160 120.674 1.486 19210 114 1 . 1 1 43 43 LYS HA H 43 4.149 4.149 4.519 -0.370 19210 115 1 . 1 1 43 43 LYS H H 43 7.535 7.535 7.333 0.202 19210 116 1 . 1 1 44 44 ILE N N 44 128.214 128.214 129.095 -0.881 19210 117 1 . 1 1 44 44 ILE HA H 44 4.118 4.118 4.336 -0.218 19210 118 1 . 1 1 44 44 ILE H H 44 8.902 8.902 8.699 0.203 19210 119 1 . 1 1 45 45 CYS N N 45 123.076 123.076 124.706 -1.630 19210 120 1 . 1 1 45 45 CYS HA H 45 5.191 5.191 4.470 0.721 19210 121 1 . 1 1 45 45 CYS H H 45 9.417 9.417 8.690 0.727 19210 122 1 . 1 1 46 46 ARG N N 46 122.593 122.593 119.360 3.233 19210 123 1 . 1 1 46 46 ARG HA H 46 4.475 4.475 4.562 -0.087 19210 124 1 . 1 1 46 46 ARG H H 46 7.611 7.611 7.475 0.136 19210 125 1 . 1 1 47 47 ILE N N 47 126.701 126.701 122.591 4.110 19210 126 1 . 1 1 47 47 ILE HA H 47 4.288 4.288 4.312 -0.024 19210 127 1 . 1 1 47 47 ILE H H 47 8.517 8.517 8.466 0.051 19210 128 1 . 1 1 48 48 ALA N N 48 130.503 130.503 130.415 0.088 19210 129 1 . 1 1 48 48 ALA HA H 48 4.323 4.323 4.648 -0.325 19210 130 1 . 1 1 48 48 ALA H H 48 9.374 9.374 8.392 0.982 19210 131 1 . 1 1 49 49 ARG N N 49 118.315 118.315 123.067 -4.752 19210 132 1 . 1 1 49 49 ARG HA H 49 4.398 4.398 4.454 -0.056 19210 133 1 . 1 1 49 49 ARG H H 49 8.331 8.331 8.892 -0.561 19210 134 1 . 1 1 50 50 GLY N N 50 109.557 109.557 111.846 -2.289 19210 135 1 . 1 1 50 50 GLY H H 50 8.426 8.426 8.063 0.363 19210 136 1 . 1 1 51 51 ASP N N 51 120.231 120.231 119.378 0.854 19210 137 1 . 1 1 51 51 ASP HA H 51 4.659 4.659 4.450 0.209 19210 138 1 . 1 1 51 51 ASP H H 51 8.610 8.610 7.038 1.572 19210 139 1 . 1 1 52 52 TRP N N 52 118.920 118.920 120.155 -1.235 19210 140 1 . 1 1 52 52 TRP HA H 52 4.796 4.796 4.837 -0.041 19210 141 1 . 1 1 52 52 TRP H H 52 7.862 7.862 7.071 0.791 19210 142 1 . 1 1 53 53 ASN N N 53 116.604 116.604 120.487 -3.883 19210 143 1 . 1 1 53 53 ASN HA H 53 4.800 4.800 4.810 -0.010 19210 144 1 . 1 1 53 53 ASN H H 53 8.325 8.325 8.569 -0.244 19210 145 1 . 1 1 54 54 ASP N N 54 119.405 119.405 120.584 -1.179 19210 146 1 . 1 1 54 54 ASP HA H 54 4.704 4.704 4.649 0.055 19210 147 1 . 1 1 54 54 ASP H H 54 8.186 8.186 8.424 -0.238 19210 148 1 . 1 1 55 55 ASP N N 55 120.911 120.911 120.974 -0.063 19210 149 1 . 1 1 55 55 ASP HA H 55 5.051 5.051 4.884 0.167 19210 150 1 . 1 1 55 55 ASP H H 55 8.640 8.640 8.353 0.287 19210 151 1 . 1 1 56 56 ARG N N 56 119.204 119.204 123.176 -3.972 19210 152 1 . 1 1 56 56 ARG HA H 56 5.341 5.341 4.953 0.388 19210 153 1 . 1 1 56 56 ARG H H 56 8.234 8.234 8.393 -0.159 19210 154 1 . 1 1 57 57 CYS N N 57 119.250 119.250 124.224 -4.974 19210 155 1 . 1 1 57 57 CYS HA H 57 4.884 4.884 4.411 0.473 19210 156 1 . 1 1 57 57 CYS H H 57 9.344 9.344 8.899 0.445 19210 157 1 . 1 1 58 58 THR N N 58 112.882 112.882 113.063 -0.181 19210 158 1 . 1 1 58 58 THR HA H 58 4.442 4.442 4.216 0.226 19210 159 1 . 1 1 58 58 THR H H 58 10.180 10.180 8.677 1.503 19210 160 1 . 1 1 59 59 GLY N N 59 111.190 111.190 109.758 1.432 19210 161 1 . 1 1 59 59 GLY H H 59 8.546 8.546 8.136 0.410 19210 162 1 . 1 1 60 60 GLN N N 60 114.377 114.377 118.388 -4.011 19210 163 1 . 1 1 60 60 GLN HA H 60 4.298 4.298 4.148 0.150 19210 164 1 . 1 1 60 60 GLN H H 60 7.986 7.986 7.769 0.217 19210 165 1 . 1 1 61 61 SER N N 61 110.403 110.403 115.876 -5.473 19210 166 1 . 1 1 61 61 SER HA H 61 3.880 3.880 4.288 -0.408 19210 167 1 . 1 1 61 61 SER H H 61 6.630 6.630 7.400 -0.770 19210 168 1 . 1 1 62 62 ALA N N 62 125.118 125.118 126.353 -1.235 19210 169 1 . 1 1 62 62 ALA HA H 62 4.435 4.435 4.459 -0.024 19210 170 1 . 1 1 62 62 ALA H H 62 9.027 9.027 8.470 0.557 19210 171 1 . 1 1 63 63 ASP N N 63 116.936 116.936 118.862 -1.926 19210 172 1 . 1 1 63 63 ASP HA H 63 4.895 4.895 4.714 0.181 19210 173 1 . 1 1 63 63 ASP H H 63 8.080 8.080 8.027 0.053 19210 174 1 . 1 1 64 64 CYS N N 64 121.286 121.286 123.622 -2.336 19210 175 1 . 1 1 64 64 CYS HA H 64 5.403 5.403 4.524 0.879 19210 176 1 . 1 1 64 64 CYS H H 64 8.924 8.924 8.364 0.560 19210 177 1 . 1 1 65 65 PRO HA H 65 4.375 4.375 4.545 -0.170 19210 178 1 . 1 1 66 66 ARG N N 66 118.950 118.950 117.493 1.457 19210 179 1 . 1 1 66 66 ARG HA H 66 4.362 4.362 4.246 0.116 19210 180 1 . 1 1 66 66 ARG H H 66 8.203 8.203 8.060 0.143 19210 181 1 . 1 1 67 67 TYR N N 67 123.890 123.890 119.739 4.151 19210 182 1 . 1 1 67 67 TYR HA H 67 4.459 4.459 4.559 -0.100 19210 183 1 . 1 1 67 67 TYR H H 67 8.650 8.650 8.343 0.307 19210 stop_ save_