data_19249 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19249 _Entry.PDB_ID 2M8E 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 19249 _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 SER N N 2 119.504 119.504 115.625 3.879 19249 2 1 1 . 1 1 2 2 SER HA H 2 4.148 4.148 5.241 -1.093 19249 3 1 1 . 1 1 2 2 SER H H 2 8.216 8.216 9.109 -0.893 19249 4 1 1 . 1 1 3 3 MET N N 3 121.232 121.232 119.205 2.027 19249 5 1 1 . 1 1 3 3 MET HA H 3 4.293 4.293 5.222 -0.929 19249 6 1 1 . 1 1 3 3 MET H H 3 8.370 8.370 8.821 -0.451 19249 7 1 1 . 1 1 4 4 GLY N N 4 110.044 110.044 108.941 1.103 19249 8 1 1 . 1 1 4 4 GLY H H 4 8.509 8.509 8.512 -0.003 19249 9 1 1 . 1 1 5 5 LYS N N 5 121.232 121.232 122.972 -1.740 19249 10 1 1 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.847 -0.445 19249 11 1 1 . 1 1 5 5 LYS H H 5 8.301 8.301 8.306 -0.005 19249 12 1 1 . 1 1 6 6 SER N N 6 120.486 120.486 118.545 1.941 19249 13 1 1 . 1 1 6 6 SER HA H 6 4.305 4.305 4.904 -0.599 19249 14 1 1 . 1 1 6 6 SER H H 6 8.215 8.215 8.487 -0.272 19249 15 1 1 . 1 1 7 7 LYS N N 7 123.967 123.967 120.829 3.138 19249 16 1 1 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.751 -0.471 19249 17 1 1 . 1 1 7 7 LYS H H 7 8.504 8.504 8.244 0.260 19249 18 1 1 . 1 1 8 8 GLU N N 8 122.475 122.475 119.861 2.614 19249 19 1 1 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.452 -0.129 19249 20 1 1 . 1 1 8 8 GLU H H 8 8.386 8.386 8.594 -0.208 19249 21 1 1 . 1 1 9 9 ILE N N 9 123.504 123.504 121.090 2.414 19249 22 1 1 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.341 0.049 19249 23 1 1 . 1 1 9 9 ILE H H 9 8.434 8.434 7.838 0.596 19249 24 1 1 . 1 1 10 10 SER N N 10 117.254 117.254 119.079 -1.825 19249 25 1 1 . 1 1 10 10 SER HA H 10 4.454 4.454 4.353 0.101 19249 26 1 1 . 1 1 10 10 SER H H 10 8.440 8.440 8.656 -0.216 19249 27 1 1 . 1 1 11 11 GLN N N 11 121.678 121.678 128.258 -6.580 19249 28 1 1 . 1 1 11 11 GLN HA H 11 4.441 4.441 3.953 0.488 19249 29 1 1 . 1 1 11 11 GLN H H 11 9.073 9.073 8.881 0.192 19249 30 1 1 . 1 1 12 12 ASP N N 12 118.249 118.249 120.100 -1.851 19249 31 1 1 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.335 0.080 19249 32 1 1 . 1 1 12 12 ASP H H 12 8.509 8.509 8.209 0.300 19249 33 1 1 . 1 1 13 13 LEU N N 13 122.227 122.227 120.551 1.676 19249 34 1 1 . 1 1 13 13 LEU HA H 13 4.179 4.179 3.963 0.216 19249 35 1 1 . 1 1 13 13 LEU H H 13 7.739 7.739 7.516 0.223 19249 36 1 1 . 1 1 14 14 ARG N N 14 119.492 119.492 118.702 0.790 19249 37 1 1 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.923 -0.155 19249 38 1 1 . 1 1 14 14 ARG H H 14 8.456 8.456 7.908 0.548 19249 39 1 1 . 1 1 15 15 LYS N N 15 117.503 117.503 118.841 -1.338 19249 40 1 1 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.088 -0.146 19249 41 1 1 . 1 1 15 15 LYS H H 15 7.835 7.835 7.939 -0.104 19249 42 1 1 . 1 1 16 16 LYS N N 16 118.746 118.746 120.457 -1.711 19249 43 1 1 . 1 1 16 16 LYS HA H 16 4.139 4.139 3.952 0.187 19249 44 1 1 . 1 1 16 16 LYS H H 16 7.642 7.642 8.250 -0.608 19249 45 1 1 . 1 1 17 17 ILE N N 17 119.243 119.243 119.401 -0.158 19249 46 1 1 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.567 -0.137 19249 47 1 1 . 1 1 17 17 ILE H H 17 8.349 8.349 8.136 0.213 19249 48 1 1 . 1 1 18 18 VAL N N 18 118.995 118.995 119.770 -0.775 19249 49 1 1 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.495 -0.209 19249 50 1 1 . 1 1 18 18 VAL H H 18 7.910 7.910 7.276 0.634 19249 51 1 1 . 1 1 19 19 ASP N N 19 120.735 120.735 119.513 1.222 19249 52 1 1 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.252 0.110 19249 53 1 1 . 1 1 19 19 ASP H H 19 8.654 8.654 7.996 0.658 19249 54 1 1 . 1 1 20 20 LEU N N 20 120.780 120.780 118.174 2.606 19249 55 1 1 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.103 0.036 19249 56 1 1 . 1 1 20 20 LEU H H 20 8.343 8.343 8.244 0.099 19249 57 1 1 . 1 1 21 21 HIS N N 21 122.724 122.724 117.246 5.478 19249 58 1 1 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.365 0.050 19249 59 1 1 . 1 1 21 21 HIS H H 21 8.670 8.670 7.317 1.353 19249 60 1 1 . 1 1 22 22 LYS N N 22 121.277 121.277 117.876 3.401 19249 61 1 1 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.317 -0.480 19249 62 1 1 . 1 1 22 22 LYS H H 22 9.097 9.097 7.471 1.626 19249 63 1 1 . 1 1 23 23 SER N N 23 111.785 111.785 113.835 -2.050 19249 64 1 1 . 1 1 23 23 SER HA H 23 4.507 4.507 4.457 0.050 19249 65 1 1 . 1 1 23 23 SER H H 23 7.658 7.658 7.556 0.102 19249 66 1 1 . 1 1 24 24 GLY N N 24 108.056 108.056 110.632 -2.576 19249 67 1 1 . 1 1 24 24 GLY H H 24 7.669 7.669 8.780 -1.111 19249 68 1 1 . 1 1 25 25 SER N N 25 117.752 117.752 118.929 -1.177 19249 69 1 1 . 1 1 25 25 SER HA H 25 4.520 4.520 4.439 0.081 19249 70 1 1 . 1 1 25 25 SER H H 25 7.947 7.947 8.118 -0.171 19249 71 1 1 . 1 1 26 26 SER N N 26 119.954 119.954 115.280 4.674 19249 72 1 1 . 1 1 26 26 SER H H 26 8.749 8.749 8.166 0.583 19249 73 1 1 . 1 1 27 27 LEU N N 27 121.232 121.232 124.526 -3.294 19249 74 1 1 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.200 0.340 19249 75 1 1 . 1 1 27 27 LEU H H 27 8.761 8.761 7.615 1.146 19249 76 1 1 . 1 1 28 28 GLY N N 28 105.556 105.556 107.026 -1.470 19249 77 1 1 . 1 1 28 28 GLY H H 28 8.843 8.843 8.772 0.071 19249 78 1 1 . 1 1 29 29 ALA N N 29 125.956 125.956 123.637 2.319 19249 79 1 1 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.099 0.102 19249 80 1 1 . 1 1 29 29 ALA H H 29 7.996 7.996 7.498 0.498 19249 81 1 1 . 1 1 30 30 ILE N N 30 119.787 119.787 114.520 5.267 19249 82 1 1 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.713 -0.246 19249 83 1 1 . 1 1 30 30 ILE H H 30 8.439 8.439 7.445 0.994 19249 84 1 1 . 1 1 31 31 SER N N 31 112.282 112.282 115.945 -3.663 19249 85 1 1 . 1 1 31 31 SER HA H 31 4.271 4.271 4.253 0.018 19249 86 1 1 . 1 1 31 31 SER H H 31 8.017 8.017 8.298 -0.281 19249 87 1 1 . 1 1 32 32 LYS N N 32 118.497 118.497 122.571 -4.074 19249 88 1 1 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.180 -0.028 19249 89 1 1 . 1 1 32 32 LYS H H 32 8.022 8.022 7.568 0.454 19249 90 1 1 . 1 1 33 33 ARG N N 33 118.746 118.746 118.676 0.070 19249 91 1 1 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.138 -0.012 19249 92 1 1 . 1 1 33 33 ARG H H 33 8.226 8.226 7.709 0.517 19249 93 1 1 . 1 1 34 34 LEU N N 34 113.774 113.774 117.613 -3.839 19249 94 1 1 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.381 0.022 19249 95 1 1 . 1 1 34 34 LEU H H 34 8.199 8.199 8.319 -0.120 19249 96 1 1 . 1 1 35 35 LYS N N 35 116.757 116.757 117.938 -1.181 19249 97 1 1 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.048 -0.053 19249 98 1 1 . 1 1 35 35 LYS H H 35 7.776 7.776 7.446 0.330 19249 99 1 1 . 1 1 36 36 VAL N N 36 115.514 115.514 121.197 -5.683 19249 100 1 1 . 1 1 36 36 VAL H H 36 7.621 7.621 8.175 -0.554 19249 101 1 1 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.598 -0.612 19249 102 1 1 . 1 1 38 38 ARG N N 38 127.231 127.231 123.143 4.088 19249 103 1 1 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.943 0.482 19249 104 1 1 . 1 1 38 38 ARG H H 38 9.180 9.180 8.812 0.368 19249 105 1 1 . 1 1 39 39 SER N N 39 112.531 112.531 113.181 -0.650 19249 106 1 1 . 1 1 39 39 SER HA H 39 4.226 4.226 4.264 -0.038 19249 107 1 1 . 1 1 39 39 SER H H 39 8.895 8.895 8.632 0.263 19249 108 1 1 . 1 1 40 40 SER N N 40 118.995 118.995 118.866 0.129 19249 109 1 1 . 1 1 40 40 SER HA H 40 4.481 4.481 4.352 0.129 19249 110 1 1 . 1 1 40 40 SER H H 40 7.284 7.284 7.521 -0.237 19249 111 1 1 . 1 1 41 41 VAL N N 41 121.729 121.729 123.189 -1.460 19249 112 1 1 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.831 -0.420 19249 113 1 1 . 1 1 41 41 VAL H H 41 7.717 7.717 7.969 -0.252 19249 114 1 1 . 1 1 42 42 GLN N N 42 117.503 117.503 118.524 -1.021 19249 115 1 1 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.138 -0.253 19249 116 1 1 . 1 1 42 42 GLN H H 42 8.718 8.718 8.698 0.020 19249 117 1 1 . 1 1 43 43 THR N N 43 115.265 115.265 113.821 1.444 19249 118 1 1 . 1 1 43 43 THR HA H 43 4.353 4.353 4.168 0.185 19249 119 1 1 . 1 1 43 43 THR H H 43 7.819 7.819 7.829 -0.010 19249 120 1 1 . 1 1 44 44 ILE N N 44 121.978 121.978 119.319 2.659 19249 121 1 1 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.134 -0.376 19249 122 1 1 . 1 1 44 44 ILE H H 44 7.761 7.761 7.773 -0.012 19249 123 1 1 . 1 1 45 45 VAL N N 45 118.992 118.992 118.331 0.661 19249 124 1 1 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.850 -0.351 19249 125 1 1 . 1 1 45 45 VAL H H 45 8.447 8.447 8.020 0.427 19249 126 1 1 . 1 1 46 46 ARG N N 46 119.492 119.492 121.695 -2.203 19249 127 1 1 . 1 1 46 46 ARG HA H 46 4.014 4.014 4.034 -0.020 19249 128 1 1 . 1 1 46 46 ARG H H 46 8.247 8.247 7.526 0.721 19249 129 1 1 . 1 1 47 47 LYS N N 47 118.000 118.000 119.744 -1.744 19249 130 1 1 . 1 1 47 47 LYS H H 47 7.878 7.878 7.597 0.281 19249 131 1 1 . 1 1 48 48 TYR N N 48 119.989 119.989 121.398 -1.409 19249 132 1 1 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.156 0.279 19249 133 1 1 . 1 1 48 48 TYR H H 48 7.942 7.942 8.623 -0.681 19249 134 1 1 . 1 1 49 49 LYS N N 49 120.735 120.735 118.652 2.083 19249 135 1 1 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.615 0.367 19249 136 1 1 . 1 1 49 49 LYS H H 49 8.135 8.135 8.136 -0.001 19249 137 1 1 . 1 1 50 50 HIS N N 50 118.000 118.000 119.357 -1.357 19249 138 1 1 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.339 0.234 19249 139 1 1 . 1 1 50 50 HIS H H 50 8.081 8.081 8.006 0.075 19249 140 1 1 . 1 1 51 51 HIS N N 51 119.870 119.870 116.978 2.892 19249 141 1 1 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.514 0.100 19249 142 1 1 . 1 1 51 51 HIS H H 51 8.361 8.361 8.689 -0.328 19249 143 1 1 . 1 1 52 52 GLY N N 52 109.796 109.796 105.514 4.282 19249 144 1 1 . 1 1 52 52 GLY H H 52 8.429 8.429 7.898 0.531 19249 145 1 1 . 1 1 53 53 THR N N 53 113.525 113.525 114.449 -0.924 19249 146 1 1 . 1 1 53 53 THR HA H 53 4.507 4.507 4.405 0.102 19249 147 1 1 . 1 1 53 53 THR H H 53 8.151 8.151 7.267 0.884 19249 148 1 1 . 1 1 54 54 THR N N 54 116.508 116.508 114.628 1.880 19249 149 1 1 . 1 1 54 54 THR HA H 54 4.395 4.395 3.913 0.482 19249 150 1 1 . 1 1 54 54 THR H H 54 8.295 8.295 8.751 -0.456 19249 151 1 1 . 1 1 55 55 GLN N N 55 122.972 122.972 124.077 -1.105 19249 152 1 1 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.170 0.192 19249 153 1 1 . 1 1 55 55 GLN H H 55 8.472 8.472 8.369 0.103 19249 154 1 2 . 1 1 2 2 SER N N 2 119.504 119.504 115.827 3.677 19249 155 1 2 . 1 1 2 2 SER HA H 2 4.148 4.148 4.677 -0.529 19249 156 1 2 . 1 1 2 2 SER H H 2 8.216 8.216 8.297 -0.081 19249 157 1 2 . 1 1 3 3 MET N N 3 121.232 121.232 121.886 -0.654 19249 158 1 2 . 1 1 3 3 MET HA H 3 4.293 4.293 4.562 -0.269 19249 159 1 2 . 1 1 3 3 MET H H 3 8.370 8.370 8.463 -0.093 19249 160 1 2 . 1 1 4 4 GLY N N 4 110.044 110.044 113.892 -3.848 19249 161 1 2 . 1 1 4 4 GLY H H 4 8.509 8.509 8.660 -0.151 19249 162 1 2 . 1 1 5 5 LYS N N 5 121.232 121.232 122.092 -0.860 19249 163 1 2 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.313 0.089 19249 164 1 2 . 1 1 5 5 LYS H H 5 8.301 8.301 7.935 0.366 19249 165 1 2 . 1 1 6 6 SER N N 6 120.486 120.486 116.938 3.548 19249 166 1 2 . 1 1 6 6 SER HA H 6 4.305 4.305 4.501 -0.196 19249 167 1 2 . 1 1 6 6 SER H H 6 8.215 8.215 8.181 0.034 19249 168 1 2 . 1 1 7 7 LYS N N 7 123.967 123.967 125.224 -1.257 19249 169 1 2 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.384 -0.104 19249 170 1 2 . 1 1 7 7 LYS H H 7 8.504 8.504 8.350 0.154 19249 171 1 2 . 1 1 8 8 GLU N N 8 122.475 122.475 124.356 -1.881 19249 172 1 2 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.238 0.085 19249 173 1 2 . 1 1 8 8 GLU H H 8 8.386 8.386 8.572 -0.186 19249 174 1 2 . 1 1 9 9 ILE N N 9 123.504 123.504 126.278 -2.774 19249 175 1 2 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.049 0.341 19249 176 1 2 . 1 1 9 9 ILE H H 9 8.434 8.434 8.553 -0.119 19249 177 1 2 . 1 1 10 10 SER N N 10 117.254 117.254 123.224 -5.970 19249 178 1 2 . 1 1 10 10 SER HA H 10 4.454 4.454 4.585 -0.131 19249 179 1 2 . 1 1 10 10 SER H H 10 8.440 8.440 8.314 0.126 19249 180 1 2 . 1 1 11 11 GLN N N 11 121.678 121.678 122.295 -0.617 19249 181 1 2 . 1 1 11 11 GLN HA H 11 4.441 4.441 3.992 0.449 19249 182 1 2 . 1 1 11 11 GLN H H 11 9.073 9.073 8.356 0.717 19249 183 1 2 . 1 1 12 12 ASP N N 12 118.249 118.249 118.451 -0.202 19249 184 1 2 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.382 0.033 19249 185 1 2 . 1 1 12 12 ASP H H 12 8.509 8.509 8.713 -0.204 19249 186 1 2 . 1 1 13 13 LEU N N 13 122.227 122.227 120.847 1.380 19249 187 1 2 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.096 0.083 19249 188 1 2 . 1 1 13 13 LEU H H 13 7.739 7.739 7.800 -0.061 19249 189 1 2 . 1 1 14 14 ARG N N 14 119.492 119.492 119.694 -0.202 19249 190 1 2 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.868 -0.100 19249 191 1 2 . 1 1 14 14 ARG H H 14 8.456 8.456 8.721 -0.265 19249 192 1 2 . 1 1 15 15 LYS N N 15 117.503 117.503 118.021 -0.518 19249 193 1 2 . 1 1 15 15 LYS HA H 15 3.942 3.942 3.997 -0.055 19249 194 1 2 . 1 1 15 15 LYS H H 15 7.835 7.835 8.081 -0.246 19249 195 1 2 . 1 1 16 16 LYS N N 16 118.746 118.746 120.558 -1.812 19249 196 1 2 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.125 0.014 19249 197 1 2 . 1 1 16 16 LYS H H 16 7.642 7.642 7.620 0.022 19249 198 1 2 . 1 1 17 17 ILE N N 17 119.243 119.243 120.548 -1.305 19249 199 1 2 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.843 -0.413 19249 200 1 2 . 1 1 17 17 ILE H H 17 8.349 8.349 8.369 -0.020 19249 201 1 2 . 1 1 18 18 VAL N N 18 118.995 118.995 121.132 -2.137 19249 202 1 2 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.501 -0.215 19249 203 1 2 . 1 1 18 18 VAL H H 18 7.910 7.910 7.984 -0.074 19249 204 1 2 . 1 1 19 19 ASP N N 19 120.735 120.735 119.686 1.049 19249 205 1 2 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.426 -0.064 19249 206 1 2 . 1 1 19 19 ASP H H 19 8.654 8.654 7.638 1.016 19249 207 1 2 . 1 1 20 20 LEU N N 20 120.780 120.780 119.976 0.804 19249 208 1 2 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.000 0.139 19249 209 1 2 . 1 1 20 20 LEU H H 20 8.343 8.343 8.005 0.338 19249 210 1 2 . 1 1 21 21 HIS N N 21 122.724 122.724 117.929 4.795 19249 211 1 2 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.238 0.177 19249 212 1 2 . 1 1 21 21 HIS H H 21 8.670 8.670 8.128 0.542 19249 213 1 2 . 1 1 22 22 LYS N N 22 121.277 121.277 119.291 1.986 19249 214 1 2 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.164 -0.327 19249 215 1 2 . 1 1 22 22 LYS H H 22 9.097 9.097 7.705 1.392 19249 216 1 2 . 1 1 23 23 SER N N 23 111.785 111.785 113.436 -1.651 19249 217 1 2 . 1 1 23 23 SER HA H 23 4.507 4.507 4.481 0.026 19249 218 1 2 . 1 1 23 23 SER H H 23 7.658 7.658 7.671 -0.013 19249 219 1 2 . 1 1 24 24 GLY N N 24 108.056 108.056 110.033 -1.977 19249 220 1 2 . 1 1 24 24 GLY H H 24 7.669 7.669 8.261 -0.592 19249 221 1 2 . 1 1 25 25 SER N N 25 117.752 117.752 118.507 -0.755 19249 222 1 2 . 1 1 25 25 SER HA H 25 4.520 4.520 4.209 0.311 19249 223 1 2 . 1 1 25 25 SER H H 25 7.947 7.947 8.054 -0.107 19249 224 1 2 . 1 1 26 26 SER N N 26 119.954 119.954 116.992 2.962 19249 225 1 2 . 1 1 26 26 SER H H 26 8.749 8.749 8.517 0.232 19249 226 1 2 . 1 1 27 27 LEU N N 27 121.232 121.232 122.733 -1.501 19249 227 1 2 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.053 0.487 19249 228 1 2 . 1 1 27 27 LEU H H 27 8.761 8.761 7.594 1.167 19249 229 1 2 . 1 1 28 28 GLY N N 28 105.556 105.556 106.093 -0.537 19249 230 1 2 . 1 1 28 28 GLY H H 28 8.843 8.843 7.844 0.999 19249 231 1 2 . 1 1 29 29 ALA N N 29 125.956 125.956 124.970 0.986 19249 232 1 2 . 1 1 29 29 ALA HA H 29 4.201 4.201 3.988 0.213 19249 233 1 2 . 1 1 29 29 ALA H H 29 7.996 7.996 7.547 0.449 19249 234 1 2 . 1 1 30 30 ILE N N 30 119.787 119.787 114.357 5.430 19249 235 1 2 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.728 -0.261 19249 236 1 2 . 1 1 30 30 ILE H H 30 8.439 8.439 7.497 0.942 19249 237 1 2 . 1 1 31 31 SER N N 31 112.282 112.282 117.490 -5.208 19249 238 1 2 . 1 1 31 31 SER HA H 31 4.271 4.271 4.088 0.183 19249 239 1 2 . 1 1 31 31 SER H H 31 8.017 8.017 7.933 0.084 19249 240 1 2 . 1 1 32 32 LYS N N 32 118.497 118.497 120.991 -2.494 19249 241 1 2 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.225 -0.073 19249 242 1 2 . 1 1 32 32 LYS H H 32 8.022 8.022 7.835 0.187 19249 243 1 2 . 1 1 33 33 ARG N N 33 118.746 118.746 119.456 -0.710 19249 244 1 2 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.152 -0.026 19249 245 1 2 . 1 1 33 33 ARG H H 33 8.226 8.226 7.766 0.460 19249 246 1 2 . 1 1 34 34 LEU N N 34 113.774 113.774 113.532 0.242 19249 247 1 2 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.528 -0.125 19249 248 1 2 . 1 1 34 34 LEU H H 34 8.199 8.199 7.989 0.210 19249 249 1 2 . 1 1 35 35 LYS N N 35 116.757 116.757 118.504 -1.747 19249 250 1 2 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.170 -0.175 19249 251 1 2 . 1 1 35 35 LYS H H 35 7.776 7.776 7.607 0.169 19249 252 1 2 . 1 1 36 36 VAL N N 36 115.514 115.514 122.764 -7.250 19249 253 1 2 . 1 1 36 36 VAL H H 36 7.621 7.621 7.970 -0.349 19249 254 1 2 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.478 -0.492 19249 255 1 2 . 1 1 38 38 ARG N N 38 127.231 127.231 126.661 0.570 19249 256 1 2 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.944 0.481 19249 257 1 2 . 1 1 38 38 ARG H H 38 9.180 9.180 8.414 0.766 19249 258 1 2 . 1 1 39 39 SER N N 39 112.531 112.531 113.930 -1.399 19249 259 1 2 . 1 1 39 39 SER HA H 39 4.226 4.226 4.274 -0.048 19249 260 1 2 . 1 1 39 39 SER H H 39 8.895 8.895 8.545 0.350 19249 261 1 2 . 1 1 40 40 SER N N 40 118.995 118.995 117.349 1.646 19249 262 1 2 . 1 1 40 40 SER HA H 40 4.481 4.481 4.376 0.105 19249 263 1 2 . 1 1 40 40 SER H H 40 7.284 7.284 7.539 -0.255 19249 264 1 2 . 1 1 41 41 VAL N N 41 121.729 121.729 122.643 -0.914 19249 265 1 2 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.623 -0.212 19249 266 1 2 . 1 1 41 41 VAL H H 41 7.717 7.717 7.938 -0.221 19249 267 1 2 . 1 1 42 42 GLN N N 42 117.503 117.503 116.914 0.589 19249 268 1 2 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.046 -0.161 19249 269 1 2 . 1 1 42 42 GLN H H 42 8.718 8.718 8.647 0.071 19249 270 1 2 . 1 1 43 43 THR N N 43 115.265 115.265 115.929 -0.664 19249 271 1 2 . 1 1 43 43 THR HA H 43 4.353 4.353 4.238 0.115 19249 272 1 2 . 1 1 43 43 THR H H 43 7.819 7.819 7.431 0.388 19249 273 1 2 . 1 1 44 44 ILE N N 44 121.978 121.978 119.211 2.767 19249 274 1 2 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.083 -0.325 19249 275 1 2 . 1 1 44 44 ILE H H 44 7.761 7.761 7.743 0.018 19249 276 1 2 . 1 1 45 45 VAL N N 45 118.992 118.992 118.343 0.649 19249 277 1 2 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.781 -0.282 19249 278 1 2 . 1 1 45 45 VAL H H 45 8.447 8.447 8.555 -0.108 19249 279 1 2 . 1 1 46 46 ARG N N 46 119.492 119.492 120.384 -0.892 19249 280 1 2 . 1 1 46 46 ARG HA H 46 4.014 4.014 4.071 -0.057 19249 281 1 2 . 1 1 46 46 ARG H H 46 8.247 8.247 7.638 0.609 19249 282 1 2 . 1 1 47 47 LYS N N 47 118.000 118.000 119.851 -1.851 19249 283 1 2 . 1 1 47 47 LYS H H 47 7.878 7.878 7.535 0.343 19249 284 1 2 . 1 1 48 48 TYR N N 48 119.989 119.989 120.535 -0.546 19249 285 1 2 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.286 0.149 19249 286 1 2 . 1 1 48 48 TYR H H 48 7.942 7.942 8.415 -0.473 19249 287 1 2 . 1 1 49 49 LYS N N 49 120.735 120.735 118.512 2.223 19249 288 1 2 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.520 0.462 19249 289 1 2 . 1 1 49 49 LYS H H 49 8.135 8.135 8.336 -0.201 19249 290 1 2 . 1 1 50 50 HIS N N 50 118.000 118.000 117.083 0.917 19249 291 1 2 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.369 0.204 19249 292 1 2 . 1 1 50 50 HIS H H 50 8.081 8.081 7.613 0.468 19249 293 1 2 . 1 1 51 51 HIS N N 51 119.870 119.870 119.460 0.410 19249 294 1 2 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.391 0.223 19249 295 1 2 . 1 1 51 51 HIS H H 51 8.361 8.361 7.958 0.403 19249 296 1 2 . 1 1 52 52 GLY N N 52 109.796 109.796 105.084 4.712 19249 297 1 2 . 1 1 52 52 GLY H H 52 8.429 8.429 8.164 0.265 19249 298 1 2 . 1 1 53 53 THR N N 53 113.525 113.525 115.590 -2.065 19249 299 1 2 . 1 1 53 53 THR HA H 53 4.507 4.507 4.286 0.221 19249 300 1 2 . 1 1 53 53 THR H H 53 8.151 8.151 7.400 0.751 19249 301 1 2 . 1 1 54 54 THR N N 54 116.508 116.508 113.433 3.075 19249 302 1 2 . 1 1 54 54 THR HA H 54 4.395 4.395 4.403 -0.008 19249 303 1 2 . 1 1 54 54 THR H H 54 8.295 8.295 7.336 0.959 19249 304 1 2 . 1 1 55 55 GLN N N 55 122.972 122.972 120.125 2.847 19249 305 1 2 . 1 1 55 55 GLN HA H 55 4.362 4.362 3.611 0.751 19249 306 1 2 . 1 1 55 55 GLN H H 55 8.472 8.472 7.236 1.236 19249 307 1 3 . 1 1 2 2 SER N N 2 119.504 119.504 115.957 3.547 19249 308 1 3 . 1 1 2 2 SER HA H 2 4.148 4.148 4.644 -0.496 19249 309 1 3 . 1 1 2 2 SER H H 2 8.216 8.216 8.200 0.016 19249 310 1 3 . 1 1 3 3 MET N N 3 121.232 121.232 123.114 -1.882 19249 311 1 3 . 1 1 3 3 MET HA H 3 4.293 4.293 4.309 -0.016 19249 312 1 3 . 1 1 3 3 MET H H 3 8.370 8.370 8.033 0.337 19249 313 1 3 . 1 1 4 4 GLY N N 4 110.044 110.044 112.340 -2.296 19249 314 1 3 . 1 1 4 4 GLY H H 4 8.509 8.509 8.902 -0.393 19249 315 1 3 . 1 1 5 5 LYS N N 5 121.232 121.232 118.917 2.315 19249 316 1 3 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.156 0.246 19249 317 1 3 . 1 1 5 5 LYS H H 5 8.301 8.301 8.477 -0.176 19249 318 1 3 . 1 1 6 6 SER N N 6 120.486 120.486 109.949 10.537 19249 319 1 3 . 1 1 6 6 SER HA H 6 4.305 4.305 4.475 -0.170 19249 320 1 3 . 1 1 6 6 SER H H 6 8.215 8.215 7.540 0.675 19249 321 1 3 . 1 1 7 7 LYS N N 7 123.967 123.967 121.459 2.508 19249 322 1 3 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.345 -0.065 19249 323 1 3 . 1 1 7 7 LYS H H 7 8.504 8.504 8.481 0.023 19249 324 1 3 . 1 1 8 8 GLU N N 8 122.475 122.475 123.636 -1.161 19249 325 1 3 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.074 0.249 19249 326 1 3 . 1 1 8 8 GLU H H 8 8.386 8.386 8.575 -0.189 19249 327 1 3 . 1 1 9 9 ILE N N 9 123.504 123.504 118.827 4.677 19249 328 1 3 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.354 0.036 19249 329 1 3 . 1 1 9 9 ILE H H 9 8.434 8.434 7.928 0.506 19249 330 1 3 . 1 1 10 10 SER N N 10 117.254 117.254 123.210 -5.956 19249 331 1 3 . 1 1 10 10 SER HA H 10 4.454 4.454 4.073 0.381 19249 332 1 3 . 1 1 10 10 SER H H 10 8.440 8.440 8.909 -0.469 19249 333 1 3 . 1 1 11 11 GLN N N 11 121.678 121.678 120.400 1.278 19249 334 1 3 . 1 1 11 11 GLN HA H 11 4.441 4.441 4.098 0.343 19249 335 1 3 . 1 1 11 11 GLN H H 11 9.073 9.073 8.603 0.470 19249 336 1 3 . 1 1 12 12 ASP N N 12 118.249 118.249 120.154 -1.905 19249 337 1 3 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.381 0.034 19249 338 1 3 . 1 1 12 12 ASP H H 12 8.509 8.509 8.149 0.360 19249 339 1 3 . 1 1 13 13 LEU N N 13 122.227 122.227 121.093 1.134 19249 340 1 3 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.003 0.176 19249 341 1 3 . 1 1 13 13 LEU H H 13 7.739 7.739 8.372 -0.633 19249 342 1 3 . 1 1 14 14 ARG N N 14 119.492 119.492 118.809 0.683 19249 343 1 3 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.939 -0.171 19249 344 1 3 . 1 1 14 14 ARG H H 14 8.456 8.456 8.457 -0.001 19249 345 1 3 . 1 1 15 15 LYS N N 15 117.503 117.503 119.499 -1.996 19249 346 1 3 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.036 -0.094 19249 347 1 3 . 1 1 15 15 LYS H H 15 7.835 7.835 8.069 -0.234 19249 348 1 3 . 1 1 16 16 LYS N N 16 118.746 118.746 120.810 -2.064 19249 349 1 3 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.406 -0.267 19249 350 1 3 . 1 1 16 16 LYS H H 16 7.642 7.642 8.139 -0.497 19249 351 1 3 . 1 1 17 17 ILE N N 17 119.243 119.243 119.652 -0.409 19249 352 1 3 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.815 -0.385 19249 353 1 3 . 1 1 17 17 ILE H H 17 8.349 8.349 8.331 0.018 19249 354 1 3 . 1 1 18 18 VAL N N 18 118.995 118.995 120.040 -1.045 19249 355 1 3 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.142 0.144 19249 356 1 3 . 1 1 18 18 VAL H H 18 7.910 7.910 7.282 0.628 19249 357 1 3 . 1 1 19 19 ASP N N 19 120.735 120.735 120.457 0.278 19249 358 1 3 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.313 0.049 19249 359 1 3 . 1 1 19 19 ASP H H 19 8.654 8.654 8.091 0.563 19249 360 1 3 . 1 1 20 20 LEU N N 20 120.780 120.780 119.253 1.527 19249 361 1 3 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.170 -0.031 19249 362 1 3 . 1 1 20 20 LEU H H 20 8.343 8.343 8.161 0.182 19249 363 1 3 . 1 1 21 21 HIS N N 21 122.724 122.724 116.616 6.108 19249 364 1 3 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.401 0.014 19249 365 1 3 . 1 1 21 21 HIS H H 21 8.670 8.670 7.882 0.788 19249 366 1 3 . 1 1 22 22 LYS N N 22 121.277 121.277 117.524 3.753 19249 367 1 3 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.254 -0.417 19249 368 1 3 . 1 1 22 22 LYS H H 22 9.097 9.097 7.563 1.534 19249 369 1 3 . 1 1 23 23 SER N N 23 111.785 111.785 114.611 -2.826 19249 370 1 3 . 1 1 23 23 SER HA H 23 4.507 4.507 4.256 0.251 19249 371 1 3 . 1 1 23 23 SER H H 23 7.658 7.658 7.697 -0.039 19249 372 1 3 . 1 1 24 24 GLY N N 24 108.056 108.056 109.162 -1.106 19249 373 1 3 . 1 1 24 24 GLY H H 24 7.669 7.669 8.204 -0.535 19249 374 1 3 . 1 1 25 25 SER N N 25 117.752 117.752 119.132 -1.380 19249 375 1 3 . 1 1 25 25 SER HA H 25 4.520 4.520 4.172 0.348 19249 376 1 3 . 1 1 25 25 SER H H 25 7.947 7.947 8.034 -0.087 19249 377 1 3 . 1 1 26 26 SER N N 26 119.954 119.954 116.879 3.075 19249 378 1 3 . 1 1 26 26 SER H H 26 8.749 8.749 8.166 0.583 19249 379 1 3 . 1 1 27 27 LEU N N 27 121.232 121.232 122.424 -1.192 19249 380 1 3 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.168 0.372 19249 381 1 3 . 1 1 27 27 LEU H H 27 8.761 8.761 7.557 1.204 19249 382 1 3 . 1 1 28 28 GLY N N 28 105.556 105.556 106.237 -0.681 19249 383 1 3 . 1 1 28 28 GLY H H 28 8.843 8.843 7.759 1.084 19249 384 1 3 . 1 1 29 29 ALA N N 29 125.956 125.956 125.014 0.942 19249 385 1 3 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.108 0.093 19249 386 1 3 . 1 1 29 29 ALA H H 29 7.996 7.996 7.362 0.634 19249 387 1 3 . 1 1 30 30 ILE N N 30 119.787 119.787 114.600 5.187 19249 388 1 3 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.735 -0.268 19249 389 1 3 . 1 1 30 30 ILE H H 30 8.439 8.439 8.140 0.299 19249 390 1 3 . 1 1 31 31 SER N N 31 112.282 112.282 116.453 -4.171 19249 391 1 3 . 1 1 31 31 SER HA H 31 4.271 4.271 4.180 0.091 19249 392 1 3 . 1 1 31 31 SER H H 31 8.017 8.017 8.049 -0.032 19249 393 1 3 . 1 1 32 32 LYS N N 32 118.497 118.497 121.744 -3.247 19249 394 1 3 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.220 -0.068 19249 395 1 3 . 1 1 32 32 LYS H H 32 8.022 8.022 7.500 0.522 19249 396 1 3 . 1 1 33 33 ARG N N 33 118.746 118.746 118.894 -0.148 19249 397 1 3 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.235 -0.109 19249 398 1 3 . 1 1 33 33 ARG H H 33 8.226 8.226 8.322 -0.096 19249 399 1 3 . 1 1 34 34 LEU N N 34 113.774 113.774 118.565 -4.791 19249 400 1 3 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.363 0.040 19249 401 1 3 . 1 1 34 34 LEU H H 34 8.199 8.199 7.948 0.251 19249 402 1 3 . 1 1 35 35 LYS N N 35 116.757 116.757 117.196 -0.439 19249 403 1 3 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.159 -0.164 19249 404 1 3 . 1 1 35 35 LYS H H 35 7.776 7.776 7.732 0.044 19249 405 1 3 . 1 1 36 36 VAL N N 36 115.514 115.514 116.299 -0.785 19249 406 1 3 . 1 1 36 36 VAL H H 36 7.621 7.621 7.804 -0.183 19249 407 1 3 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.521 -0.535 19249 408 1 3 . 1 1 38 38 ARG N N 38 127.231 127.231 124.985 2.246 19249 409 1 3 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.970 0.455 19249 410 1 3 . 1 1 38 38 ARG H H 38 9.180 9.180 8.921 0.259 19249 411 1 3 . 1 1 39 39 SER N N 39 112.531 112.531 113.933 -1.402 19249 412 1 3 . 1 1 39 39 SER HA H 39 4.226 4.226 4.324 -0.098 19249 413 1 3 . 1 1 39 39 SER H H 39 8.895 8.895 8.536 0.359 19249 414 1 3 . 1 1 40 40 SER N N 40 118.995 118.995 115.627 3.368 19249 415 1 3 . 1 1 40 40 SER HA H 40 4.481 4.481 4.361 0.120 19249 416 1 3 . 1 1 40 40 SER H H 40 7.284 7.284 7.582 -0.298 19249 417 1 3 . 1 1 41 41 VAL N N 41 121.729 121.729 123.296 -1.567 19249 418 1 3 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.584 -0.173 19249 419 1 3 . 1 1 41 41 VAL H H 41 7.717 7.717 8.099 -0.382 19249 420 1 3 . 1 1 42 42 GLN N N 42 117.503 117.503 117.334 0.169 19249 421 1 3 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.000 -0.115 19249 422 1 3 . 1 1 42 42 GLN H H 42 8.718 8.718 8.436 0.282 19249 423 1 3 . 1 1 43 43 THR N N 43 115.265 115.265 116.896 -1.631 19249 424 1 3 . 1 1 43 43 THR HA H 43 4.353 4.353 4.088 0.265 19249 425 1 3 . 1 1 43 43 THR H H 43 7.819 7.819 7.499 0.320 19249 426 1 3 . 1 1 44 44 ILE N N 44 121.978 121.978 119.478 2.500 19249 427 1 3 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.040 -0.282 19249 428 1 3 . 1 1 44 44 ILE H H 44 7.761 7.761 8.143 -0.382 19249 429 1 3 . 1 1 45 45 VAL N N 45 118.992 118.992 117.793 1.199 19249 430 1 3 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.726 -0.227 19249 431 1 3 . 1 1 45 45 VAL H H 45 8.447 8.447 8.256 0.191 19249 432 1 3 . 1 1 46 46 ARG N N 46 119.492 119.492 119.035 0.457 19249 433 1 3 . 1 1 46 46 ARG HA H 46 4.014 4.014 4.032 -0.018 19249 434 1 3 . 1 1 46 46 ARG H H 46 8.247 8.247 7.524 0.723 19249 435 1 3 . 1 1 47 47 LYS N N 47 118.000 118.000 121.928 -3.928 19249 436 1 3 . 1 1 47 47 LYS H H 47 7.878 7.878 7.697 0.181 19249 437 1 3 . 1 1 48 48 TYR N N 48 119.989 119.989 116.918 3.071 19249 438 1 3 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.180 0.255 19249 439 1 3 . 1 1 48 48 TYR H H 48 7.942 7.942 8.410 -0.468 19249 440 1 3 . 1 1 49 49 LYS N N 49 120.735 120.735 119.935 0.800 19249 441 1 3 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.679 0.303 19249 442 1 3 . 1 1 49 49 LYS H H 49 8.135 8.135 7.005 1.130 19249 443 1 3 . 1 1 50 50 HIS N N 50 118.000 118.000 118.268 -0.268 19249 444 1 3 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.280 0.293 19249 445 1 3 . 1 1 50 50 HIS H H 50 8.081 8.081 7.975 0.106 19249 446 1 3 . 1 1 51 51 HIS N N 51 119.870 119.870 119.107 0.763 19249 447 1 3 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.281 0.333 19249 448 1 3 . 1 1 51 51 HIS H H 51 8.361 8.361 8.862 -0.501 19249 449 1 3 . 1 1 52 52 GLY N N 52 109.796 109.796 104.014 5.782 19249 450 1 3 . 1 1 52 52 GLY H H 52 8.429 8.429 8.043 0.386 19249 451 1 3 . 1 1 53 53 THR N N 53 113.525 113.525 116.065 -2.540 19249 452 1 3 . 1 1 53 53 THR HA H 53 4.507 4.507 4.240 0.267 19249 453 1 3 . 1 1 53 53 THR H H 53 8.151 8.151 7.373 0.778 19249 454 1 3 . 1 1 54 54 THR N N 54 116.508 116.508 116.796 -0.288 19249 455 1 3 . 1 1 54 54 THR HA H 54 4.395 4.395 4.246 0.149 19249 456 1 3 . 1 1 54 54 THR H H 54 8.295 8.295 7.456 0.839 19249 457 1 3 . 1 1 55 55 GLN N N 55 122.972 122.972 119.343 3.629 19249 458 1 3 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.550 -0.188 19249 459 1 3 . 1 1 55 55 GLN H H 55 8.472 8.472 8.092 0.380 19249 460 1 4 . 1 1 2 2 SER N N 2 119.504 119.504 118.351 1.153 19249 461 1 4 . 1 1 2 2 SER HA H 2 4.148 4.148 4.718 -0.570 19249 462 1 4 . 1 1 2 2 SER H H 2 8.216 8.216 8.239 -0.023 19249 463 1 4 . 1 1 3 3 MET N N 3 121.232 121.232 120.289 0.943 19249 464 1 4 . 1 1 3 3 MET HA H 3 4.293 4.293 4.827 -0.534 19249 465 1 4 . 1 1 3 3 MET H H 3 8.370 8.370 8.239 0.131 19249 466 1 4 . 1 1 4 4 GLY N N 4 110.044 110.044 110.949 -0.905 19249 467 1 4 . 1 1 4 4 GLY H H 4 8.509 8.509 8.651 -0.142 19249 468 1 4 . 1 1 5 5 LYS N N 5 121.232 121.232 121.477 -0.245 19249 469 1 4 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.559 -0.157 19249 470 1 4 . 1 1 5 5 LYS H H 5 8.301 8.301 8.023 0.278 19249 471 1 4 . 1 1 6 6 SER N N 6 120.486 120.486 119.051 1.435 19249 472 1 4 . 1 1 6 6 SER HA H 6 4.305 4.305 4.676 -0.371 19249 473 1 4 . 1 1 6 6 SER H H 6 8.215 8.215 8.459 -0.244 19249 474 1 4 . 1 1 7 7 LYS N N 7 123.967 123.967 124.238 -0.271 19249 475 1 4 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.502 -0.222 19249 476 1 4 . 1 1 7 7 LYS H H 7 8.504 8.504 8.455 0.049 19249 477 1 4 . 1 1 8 8 GLU N N 8 122.475 122.475 116.992 5.483 19249 478 1 4 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.325 -0.002 19249 479 1 4 . 1 1 8 8 GLU H H 8 8.386 8.386 8.051 0.335 19249 480 1 4 . 1 1 9 9 ILE N N 9 123.504 123.504 123.799 -0.295 19249 481 1 4 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.024 0.366 19249 482 1 4 . 1 1 9 9 ILE H H 9 8.434 8.434 8.120 0.314 19249 483 1 4 . 1 1 10 10 SER N N 10 117.254 117.254 123.599 -6.345 19249 484 1 4 . 1 1 10 10 SER HA H 10 4.454 4.454 4.663 -0.209 19249 485 1 4 . 1 1 10 10 SER H H 10 8.440 8.440 8.359 0.081 19249 486 1 4 . 1 1 11 11 GLN N N 11 121.678 121.678 120.834 0.844 19249 487 1 4 . 1 1 11 11 GLN HA H 11 4.441 4.441 3.963 0.478 19249 488 1 4 . 1 1 11 11 GLN H H 11 9.073 9.073 8.337 0.736 19249 489 1 4 . 1 1 12 12 ASP N N 12 118.249 118.249 120.171 -1.922 19249 490 1 4 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.374 0.041 19249 491 1 4 . 1 1 12 12 ASP H H 12 8.509 8.509 8.454 0.055 19249 492 1 4 . 1 1 13 13 LEU N N 13 122.227 122.227 120.685 1.542 19249 493 1 4 . 1 1 13 13 LEU HA H 13 4.179 4.179 3.977 0.202 19249 494 1 4 . 1 1 13 13 LEU H H 13 7.739 7.739 7.790 -0.051 19249 495 1 4 . 1 1 14 14 ARG N N 14 119.492 119.492 119.033 0.459 19249 496 1 4 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.921 -0.153 19249 497 1 4 . 1 1 14 14 ARG H H 14 8.456 8.456 8.392 0.064 19249 498 1 4 . 1 1 15 15 LYS N N 15 117.503 117.503 119.604 -2.101 19249 499 1 4 . 1 1 15 15 LYS HA H 15 3.942 3.942 3.940 0.002 19249 500 1 4 . 1 1 15 15 LYS H H 15 7.835 7.835 8.171 -0.336 19249 501 1 4 . 1 1 16 16 LYS N N 16 118.746 118.746 119.083 -0.337 19249 502 1 4 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.005 0.134 19249 503 1 4 . 1 1 16 16 LYS H H 16 7.642 7.642 8.197 -0.555 19249 504 1 4 . 1 1 17 17 ILE N N 17 119.243 119.243 120.797 -1.554 19249 505 1 4 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.689 -0.259 19249 506 1 4 . 1 1 17 17 ILE H H 17 8.349 8.349 8.319 0.030 19249 507 1 4 . 1 1 18 18 VAL N N 18 118.995 118.995 119.703 -0.708 19249 508 1 4 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.597 -0.311 19249 509 1 4 . 1 1 18 18 VAL H H 18 7.910 7.910 7.957 -0.047 19249 510 1 4 . 1 1 19 19 ASP N N 19 120.735 120.735 120.171 0.564 19249 511 1 4 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.360 0.002 19249 512 1 4 . 1 1 19 19 ASP H H 19 8.654 8.654 7.995 0.659 19249 513 1 4 . 1 1 20 20 LEU N N 20 120.780 120.780 119.595 1.185 19249 514 1 4 . 1 1 20 20 LEU HA H 20 4.139 4.139 3.943 0.196 19249 515 1 4 . 1 1 20 20 LEU H H 20 8.343 8.343 8.486 -0.143 19249 516 1 4 . 1 1 21 21 HIS N N 21 122.724 122.724 118.188 4.536 19249 517 1 4 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.241 0.174 19249 518 1 4 . 1 1 21 21 HIS H H 21 8.670 8.670 7.872 0.798 19249 519 1 4 . 1 1 22 22 LYS N N 22 121.277 121.277 116.855 4.422 19249 520 1 4 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.162 -0.325 19249 521 1 4 . 1 1 22 22 LYS H H 22 9.097 9.097 8.053 1.044 19249 522 1 4 . 1 1 23 23 SER N N 23 111.785 111.785 113.814 -2.029 19249 523 1 4 . 1 1 23 23 SER HA H 23 4.507 4.507 4.250 0.257 19249 524 1 4 . 1 1 23 23 SER H H 23 7.658 7.658 7.767 -0.109 19249 525 1 4 . 1 1 24 24 GLY N N 24 108.056 108.056 109.013 -0.957 19249 526 1 4 . 1 1 24 24 GLY H H 24 7.669 7.669 8.031 -0.362 19249 527 1 4 . 1 1 25 25 SER N N 25 117.752 117.752 119.114 -1.362 19249 528 1 4 . 1 1 25 25 SER HA H 25 4.520 4.520 4.336 0.184 19249 529 1 4 . 1 1 25 25 SER H H 25 7.947 7.947 8.339 -0.392 19249 530 1 4 . 1 1 26 26 SER N N 26 119.954 119.954 116.282 3.672 19249 531 1 4 . 1 1 26 26 SER H H 26 8.749 8.749 7.684 1.065 19249 532 1 4 . 1 1 27 27 LEU N N 27 121.232 121.232 123.535 -2.303 19249 533 1 4 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.137 0.403 19249 534 1 4 . 1 1 27 27 LEU H H 27 8.761 8.761 7.448 1.313 19249 535 1 4 . 1 1 28 28 GLY N N 28 105.556 105.556 106.029 -0.473 19249 536 1 4 . 1 1 28 28 GLY H H 28 8.843 8.843 8.495 0.348 19249 537 1 4 . 1 1 29 29 ALA N N 29 125.956 125.956 124.686 1.270 19249 538 1 4 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.136 0.065 19249 539 1 4 . 1 1 29 29 ALA H H 29 7.996 7.996 7.165 0.831 19249 540 1 4 . 1 1 30 30 ILE N N 30 119.787 119.787 118.176 1.611 19249 541 1 4 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.648 -0.181 19249 542 1 4 . 1 1 30 30 ILE H H 30 8.439 8.439 7.621 0.818 19249 543 1 4 . 1 1 31 31 SER N N 31 112.282 112.282 114.770 -2.488 19249 544 1 4 . 1 1 31 31 SER HA H 31 4.271 4.271 4.154 0.117 19249 545 1 4 . 1 1 31 31 SER H H 31 8.017 8.017 7.827 0.190 19249 546 1 4 . 1 1 32 32 LYS N N 32 118.497 118.497 121.529 -3.032 19249 547 1 4 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.182 -0.030 19249 548 1 4 . 1 1 32 32 LYS H H 32 8.022 8.022 7.498 0.524 19249 549 1 4 . 1 1 33 33 ARG N N 33 118.746 118.746 118.698 0.048 19249 550 1 4 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.304 -0.178 19249 551 1 4 . 1 1 33 33 ARG H H 33 8.226 8.226 8.021 0.205 19249 552 1 4 . 1 1 34 34 LEU N N 34 113.774 113.774 118.314 -4.540 19249 553 1 4 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.301 0.102 19249 554 1 4 . 1 1 34 34 LEU H H 34 8.199 8.199 7.910 0.289 19249 555 1 4 . 1 1 35 35 LYS N N 35 116.757 116.757 114.660 2.097 19249 556 1 4 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.086 -0.091 19249 557 1 4 . 1 1 35 35 LYS H H 35 7.776 7.776 7.591 0.185 19249 558 1 4 . 1 1 36 36 VAL N N 36 115.514 115.514 115.121 0.393 19249 559 1 4 . 1 1 36 36 VAL H H 36 7.621 7.621 7.858 -0.237 19249 560 1 4 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.468 -0.482 19249 561 1 4 . 1 1 38 38 ARG N N 38 127.231 127.231 125.475 1.756 19249 562 1 4 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.979 0.446 19249 563 1 4 . 1 1 38 38 ARG H H 38 9.180 9.180 8.816 0.364 19249 564 1 4 . 1 1 39 39 SER N N 39 112.531 112.531 113.974 -1.443 19249 565 1 4 . 1 1 39 39 SER HA H 39 4.226 4.226 4.298 -0.072 19249 566 1 4 . 1 1 39 39 SER H H 39 8.895 8.895 8.643 0.252 19249 567 1 4 . 1 1 40 40 SER N N 40 118.995 118.995 118.728 0.267 19249 568 1 4 . 1 1 40 40 SER HA H 40 4.481 4.481 4.382 0.099 19249 569 1 4 . 1 1 40 40 SER H H 40 7.284 7.284 7.390 -0.106 19249 570 1 4 . 1 1 41 41 VAL N N 41 121.729 121.729 124.149 -2.420 19249 571 1 4 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.752 -0.341 19249 572 1 4 . 1 1 41 41 VAL H H 41 7.717 7.717 8.300 -0.583 19249 573 1 4 . 1 1 42 42 GLN N N 42 117.503 117.503 118.396 -0.893 19249 574 1 4 . 1 1 42 42 GLN HA H 42 3.885 3.885 3.968 -0.083 19249 575 1 4 . 1 1 42 42 GLN H H 42 8.718 8.718 7.799 0.919 19249 576 1 4 . 1 1 43 43 THR N N 43 115.265 115.265 117.018 -1.753 19249 577 1 4 . 1 1 43 43 THR HA H 43 4.353 4.353 4.033 0.320 19249 578 1 4 . 1 1 43 43 THR H H 43 7.819 7.819 7.590 0.229 19249 579 1 4 . 1 1 44 44 ILE N N 44 121.978 121.978 122.245 -0.267 19249 580 1 4 . 1 1 44 44 ILE HA H 44 3.758 3.758 3.970 -0.212 19249 581 1 4 . 1 1 44 44 ILE H H 44 7.761 7.761 8.346 -0.585 19249 582 1 4 . 1 1 45 45 VAL N N 45 118.992 118.992 116.944 2.048 19249 583 1 4 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.374 0.125 19249 584 1 4 . 1 1 45 45 VAL H H 45 8.447 8.447 8.280 0.167 19249 585 1 4 . 1 1 46 46 ARG N N 46 119.492 119.492 120.168 -0.676 19249 586 1 4 . 1 1 46 46 ARG HA H 46 4.014 4.014 3.903 0.111 19249 587 1 4 . 1 1 46 46 ARG H H 46 8.247 8.247 7.546 0.701 19249 588 1 4 . 1 1 47 47 LYS N N 47 118.000 118.000 120.382 -2.382 19249 589 1 4 . 1 1 47 47 LYS H H 47 7.878 7.878 7.913 -0.035 19249 590 1 4 . 1 1 48 48 TYR N N 48 119.989 119.989 115.792 4.197 19249 591 1 4 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.525 -0.090 19249 592 1 4 . 1 1 48 48 TYR H H 48 7.942 7.942 7.891 0.051 19249 593 1 4 . 1 1 49 49 LYS N N 49 120.735 120.735 122.155 -1.420 19249 594 1 4 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.935 0.047 19249 595 1 4 . 1 1 49 49 LYS H H 49 8.135 8.135 7.116 1.019 19249 596 1 4 . 1 1 50 50 HIS N N 50 118.000 118.000 120.067 -2.067 19249 597 1 4 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.211 0.362 19249 598 1 4 . 1 1 50 50 HIS H H 50 8.081 8.081 8.584 -0.503 19249 599 1 4 . 1 1 51 51 HIS N N 51 119.870 119.870 118.351 1.519 19249 600 1 4 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.182 0.432 19249 601 1 4 . 1 1 51 51 HIS H H 51 8.361 8.361 8.740 -0.379 19249 602 1 4 . 1 1 52 52 GLY N N 52 109.796 109.796 105.548 4.248 19249 603 1 4 . 1 1 52 52 GLY H H 52 8.429 8.429 8.168 0.261 19249 604 1 4 . 1 1 53 53 THR N N 53 113.525 113.525 114.599 -1.074 19249 605 1 4 . 1 1 53 53 THR HA H 53 4.507 4.507 4.069 0.438 19249 606 1 4 . 1 1 53 53 THR H H 53 8.151 8.151 7.815 0.336 19249 607 1 4 . 1 1 54 54 THR N N 54 116.508 116.508 116.749 -0.241 19249 608 1 4 . 1 1 54 54 THR HA H 54 4.395 4.395 4.177 0.218 19249 609 1 4 . 1 1 54 54 THR H H 54 8.295 8.295 7.512 0.783 19249 610 1 4 . 1 1 55 55 GLN N N 55 122.972 122.972 120.521 2.451 19249 611 1 4 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.103 0.259 19249 612 1 4 . 1 1 55 55 GLN H H 55 8.472 8.472 7.141 1.331 19249 613 1 5 . 1 1 2 2 SER N N 2 119.504 119.504 115.750 3.754 19249 614 1 5 . 1 1 2 2 SER HA H 2 4.148 4.148 4.551 -0.403 19249 615 1 5 . 1 1 2 2 SER H H 2 8.216 8.216 8.515 -0.299 19249 616 1 5 . 1 1 3 3 MET N N 3 121.232 121.232 120.195 1.037 19249 617 1 5 . 1 1 3 3 MET HA H 3 4.293 4.293 4.303 -0.010 19249 618 1 5 . 1 1 3 3 MET H H 3 8.370 8.370 8.134 0.236 19249 619 1 5 . 1 1 4 4 GLY N N 4 110.044 110.044 107.152 2.892 19249 620 1 5 . 1 1 4 4 GLY H H 4 8.509 8.509 8.133 0.376 19249 621 1 5 . 1 1 5 5 LYS N N 5 121.232 121.232 120.109 1.123 19249 622 1 5 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.013 0.389 19249 623 1 5 . 1 1 5 5 LYS H H 5 8.301 8.301 7.888 0.413 19249 624 1 5 . 1 1 6 6 SER N N 6 120.486 120.486 119.232 1.254 19249 625 1 5 . 1 1 6 6 SER HA H 6 4.305 4.305 4.908 -0.603 19249 626 1 5 . 1 1 6 6 SER H H 6 8.215 8.215 8.669 -0.454 19249 627 1 5 . 1 1 7 7 LYS N N 7 123.967 123.967 127.166 -3.199 19249 628 1 5 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.369 -0.089 19249 629 1 5 . 1 1 7 7 LYS H H 7 8.504 8.504 8.056 0.448 19249 630 1 5 . 1 1 8 8 GLU N N 8 122.475 122.475 120.152 2.323 19249 631 1 5 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.129 0.194 19249 632 1 5 . 1 1 8 8 GLU H H 8 8.386 8.386 8.190 0.196 19249 633 1 5 . 1 1 9 9 ILE N N 9 123.504 123.504 120.564 2.940 19249 634 1 5 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.148 0.242 19249 635 1 5 . 1 1 9 9 ILE H H 9 8.434 8.434 8.142 0.292 19249 636 1 5 . 1 1 10 10 SER N N 10 117.254 117.254 124.626 -7.372 19249 637 1 5 . 1 1 10 10 SER HA H 10 4.454 4.454 3.991 0.463 19249 638 1 5 . 1 1 10 10 SER H H 10 8.440 8.440 8.946 -0.506 19249 639 1 5 . 1 1 11 11 GLN N N 11 121.678 121.678 119.980 1.698 19249 640 1 5 . 1 1 11 11 GLN HA H 11 4.441 4.441 4.149 0.292 19249 641 1 5 . 1 1 11 11 GLN H H 11 9.073 9.073 8.517 0.556 19249 642 1 5 . 1 1 12 12 ASP N N 12 118.249 118.249 119.570 -1.321 19249 643 1 5 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.364 0.051 19249 644 1 5 . 1 1 12 12 ASP H H 12 8.509 8.509 8.283 0.226 19249 645 1 5 . 1 1 13 13 LEU N N 13 122.227 122.227 121.082 1.145 19249 646 1 5 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.155 0.024 19249 647 1 5 . 1 1 13 13 LEU H H 13 7.739 7.739 8.443 -0.704 19249 648 1 5 . 1 1 14 14 ARG N N 14 119.492 119.492 119.413 0.079 19249 649 1 5 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.953 -0.185 19249 650 1 5 . 1 1 14 14 ARG H H 14 8.456 8.456 8.212 0.244 19249 651 1 5 . 1 1 15 15 LYS N N 15 117.503 117.503 119.033 -1.530 19249 652 1 5 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.043 -0.101 19249 653 1 5 . 1 1 15 15 LYS H H 15 7.835 7.835 7.875 -0.040 19249 654 1 5 . 1 1 16 16 LYS N N 16 118.746 118.746 120.624 -1.878 19249 655 1 5 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.042 0.097 19249 656 1 5 . 1 1 16 16 LYS H H 16 7.642 7.642 7.815 -0.173 19249 657 1 5 . 1 1 17 17 ILE N N 17 119.243 119.243 119.220 0.023 19249 658 1 5 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.852 -0.422 19249 659 1 5 . 1 1 17 17 ILE H H 17 8.349 8.349 8.102 0.247 19249 660 1 5 . 1 1 18 18 VAL N N 18 118.995 118.995 120.406 -1.411 19249 661 1 5 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.526 -0.240 19249 662 1 5 . 1 1 18 18 VAL H H 18 7.910 7.910 7.307 0.603 19249 663 1 5 . 1 1 19 19 ASP N N 19 120.735 120.735 121.205 -0.470 19249 664 1 5 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.376 -0.014 19249 665 1 5 . 1 1 19 19 ASP H H 19 8.654 8.654 8.258 0.396 19249 666 1 5 . 1 1 20 20 LEU N N 20 120.780 120.780 118.703 2.077 19249 667 1 5 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.122 0.017 19249 668 1 5 . 1 1 20 20 LEU H H 20 8.343 8.343 8.384 -0.041 19249 669 1 5 . 1 1 21 21 HIS N N 21 122.724 122.724 117.702 5.022 19249 670 1 5 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.252 0.163 19249 671 1 5 . 1 1 21 21 HIS H H 21 8.670 8.670 7.713 0.957 19249 672 1 5 . 1 1 22 22 LYS N N 22 121.277 121.277 118.501 2.776 19249 673 1 5 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.276 -0.439 19249 674 1 5 . 1 1 22 22 LYS H H 22 9.097 9.097 7.742 1.355 19249 675 1 5 . 1 1 23 23 SER N N 23 111.785 111.785 113.672 -1.887 19249 676 1 5 . 1 1 23 23 SER HA H 23 4.507 4.507 4.405 0.102 19249 677 1 5 . 1 1 23 23 SER H H 23 7.658 7.658 7.730 -0.072 19249 678 1 5 . 1 1 24 24 GLY N N 24 108.056 108.056 109.450 -1.394 19249 679 1 5 . 1 1 24 24 GLY H H 24 7.669 7.669 7.762 -0.093 19249 680 1 5 . 1 1 25 25 SER N N 25 117.752 117.752 118.962 -1.210 19249 681 1 5 . 1 1 25 25 SER HA H 25 4.520 4.520 4.445 0.075 19249 682 1 5 . 1 1 25 25 SER H H 25 7.947 7.947 8.022 -0.075 19249 683 1 5 . 1 1 26 26 SER N N 26 119.954 119.954 116.122 3.832 19249 684 1 5 . 1 1 26 26 SER H H 26 8.749 8.749 8.082 0.667 19249 685 1 5 . 1 1 27 27 LEU N N 27 121.232 121.232 123.579 -2.347 19249 686 1 5 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.007 0.533 19249 687 1 5 . 1 1 27 27 LEU H H 27 8.761 8.761 7.389 1.372 19249 688 1 5 . 1 1 28 28 GLY N N 28 105.556 105.556 105.207 0.349 19249 689 1 5 . 1 1 28 28 GLY H H 28 8.843 8.843 8.785 0.058 19249 690 1 5 . 1 1 29 29 ALA N N 29 125.956 125.956 124.746 1.210 19249 691 1 5 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.096 0.105 19249 692 1 5 . 1 1 29 29 ALA H H 29 7.996 7.996 7.624 0.372 19249 693 1 5 . 1 1 30 30 ILE N N 30 119.787 119.787 115.798 3.989 19249 694 1 5 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.655 -0.188 19249 695 1 5 . 1 1 30 30 ILE H H 30 8.439 8.439 7.664 0.775 19249 696 1 5 . 1 1 31 31 SER N N 31 112.282 112.282 117.125 -4.843 19249 697 1 5 . 1 1 31 31 SER HA H 31 4.271 4.271 4.080 0.191 19249 698 1 5 . 1 1 31 31 SER H H 31 8.017 8.017 8.257 -0.240 19249 699 1 5 . 1 1 32 32 LYS N N 32 118.497 118.497 120.468 -1.971 19249 700 1 5 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.194 -0.042 19249 701 1 5 . 1 1 32 32 LYS H H 32 8.022 8.022 7.631 0.391 19249 702 1 5 . 1 1 33 33 ARG N N 33 118.746 118.746 118.163 0.583 19249 703 1 5 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.121 0.005 19249 704 1 5 . 1 1 33 33 ARG H H 33 8.226 8.226 8.089 0.137 19249 705 1 5 . 1 1 34 34 LEU N N 34 113.774 113.774 116.709 -2.935 19249 706 1 5 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.292 0.111 19249 707 1 5 . 1 1 34 34 LEU H H 34 8.199 8.199 7.587 0.612 19249 708 1 5 . 1 1 35 35 LYS N N 35 116.757 116.757 116.752 0.005 19249 709 1 5 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.161 -0.166 19249 710 1 5 . 1 1 35 35 LYS H H 35 7.776 7.776 7.482 0.294 19249 711 1 5 . 1 1 36 36 VAL N N 36 115.514 115.514 119.971 -4.457 19249 712 1 5 . 1 1 36 36 VAL H H 36 7.621 7.621 7.986 -0.365 19249 713 1 5 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.488 -0.502 19249 714 1 5 . 1 1 38 38 ARG N N 38 127.231 127.231 124.922 2.309 19249 715 1 5 . 1 1 38 38 ARG HA H 38 4.425 4.425 4.002 0.423 19249 716 1 5 . 1 1 38 38 ARG H H 38 9.180 9.180 8.893 0.287 19249 717 1 5 . 1 1 39 39 SER N N 39 112.531 112.531 116.385 -3.854 19249 718 1 5 . 1 1 39 39 SER HA H 39 4.226 4.226 4.286 -0.060 19249 719 1 5 . 1 1 39 39 SER H H 39 8.895 8.895 8.427 0.468 19249 720 1 5 . 1 1 40 40 SER N N 40 118.995 118.995 117.279 1.716 19249 721 1 5 . 1 1 40 40 SER HA H 40 4.481 4.481 4.332 0.149 19249 722 1 5 . 1 1 40 40 SER H H 40 7.284 7.284 7.671 -0.387 19249 723 1 5 . 1 1 41 41 VAL N N 41 121.729 121.729 122.337 -0.608 19249 724 1 5 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.655 -0.244 19249 725 1 5 . 1 1 41 41 VAL H H 41 7.717 7.717 8.015 -0.298 19249 726 1 5 . 1 1 42 42 GLN N N 42 117.503 117.503 119.440 -1.937 19249 727 1 5 . 1 1 42 42 GLN HA H 42 3.885 3.885 3.940 -0.055 19249 728 1 5 . 1 1 42 42 GLN H H 42 8.718 8.718 8.485 0.233 19249 729 1 5 . 1 1 43 43 THR N N 43 115.265 115.265 114.893 0.372 19249 730 1 5 . 1 1 43 43 THR HA H 43 4.353 4.353 4.116 0.237 19249 731 1 5 . 1 1 43 43 THR H H 43 7.819 7.819 7.813 0.006 19249 732 1 5 . 1 1 44 44 ILE N N 44 121.978 121.978 119.472 2.506 19249 733 1 5 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.156 -0.398 19249 734 1 5 . 1 1 44 44 ILE H H 44 7.761 7.761 7.499 0.262 19249 735 1 5 . 1 1 45 45 VAL N N 45 118.992 118.992 119.028 -0.036 19249 736 1 5 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.834 -0.335 19249 737 1 5 . 1 1 45 45 VAL H H 45 8.447 8.447 8.285 0.162 19249 738 1 5 . 1 1 46 46 ARG N N 46 119.492 119.492 121.675 -2.183 19249 739 1 5 . 1 1 46 46 ARG HA H 46 4.014 4.014 3.984 0.030 19249 740 1 5 . 1 1 46 46 ARG H H 46 8.247 8.247 8.248 -0.001 19249 741 1 5 . 1 1 47 47 LYS N N 47 118.000 118.000 118.369 -0.369 19249 742 1 5 . 1 1 47 47 LYS H H 47 7.878 7.878 7.579 0.299 19249 743 1 5 . 1 1 48 48 TYR N N 48 119.989 119.989 122.068 -2.079 19249 744 1 5 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.458 -0.023 19249 745 1 5 . 1 1 48 48 TYR H H 48 7.942 7.942 7.863 0.079 19249 746 1 5 . 1 1 49 49 LYS N N 49 120.735 120.735 119.040 1.695 19249 747 1 5 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.575 0.407 19249 748 1 5 . 1 1 49 49 LYS H H 49 8.135 8.135 8.578 -0.443 19249 749 1 5 . 1 1 50 50 HIS N N 50 118.000 118.000 120.148 -2.148 19249 750 1 5 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.206 0.367 19249 751 1 5 . 1 1 50 50 HIS H H 50 8.081 8.081 7.864 0.217 19249 752 1 5 . 1 1 51 51 HIS N N 51 119.870 119.870 119.168 0.702 19249 753 1 5 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.426 0.188 19249 754 1 5 . 1 1 51 51 HIS H H 51 8.361 8.361 7.926 0.435 19249 755 1 5 . 1 1 52 52 GLY N N 52 109.796 109.796 105.010 4.786 19249 756 1 5 . 1 1 52 52 GLY H H 52 8.429 8.429 8.313 0.115 19249 757 1 5 . 1 1 53 53 THR N N 53 113.525 113.525 115.563 -2.038 19249 758 1 5 . 1 1 53 53 THR HA H 53 4.507 4.507 4.350 0.157 19249 759 1 5 . 1 1 53 53 THR H H 53 8.151 8.151 7.484 0.667 19249 760 1 5 . 1 1 54 54 THR N N 54 116.508 116.508 115.521 0.987 19249 761 1 5 . 1 1 54 54 THR HA H 54 4.395 4.395 4.215 0.180 19249 762 1 5 . 1 1 54 54 THR H H 54 8.295 8.295 7.589 0.706 19249 763 1 5 . 1 1 55 55 GLN N N 55 122.972 122.972 119.268 3.704 19249 764 1 5 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.269 0.093 19249 765 1 5 . 1 1 55 55 GLN H H 55 8.472 8.472 7.978 0.494 19249 766 1 6 . 1 1 2 2 SER N N 2 119.504 119.504 114.698 4.806 19249 767 1 6 . 1 1 2 2 SER HA H 2 4.148 4.148 4.256 -0.108 19249 768 1 6 . 1 1 2 2 SER H H 2 8.216 8.216 8.029 0.187 19249 769 1 6 . 1 1 3 3 MET N N 3 121.232 121.232 121.705 -0.473 19249 770 1 6 . 1 1 3 3 MET HA H 3 4.293 4.293 4.434 -0.141 19249 771 1 6 . 1 1 3 3 MET H H 3 8.370 8.370 8.405 -0.035 19249 772 1 6 . 1 1 4 4 GLY N N 4 110.044 110.044 111.940 -1.896 19249 773 1 6 . 1 1 4 4 GLY H H 4 8.509 8.509 8.910 -0.401 19249 774 1 6 . 1 1 5 5 LYS N N 5 121.232 121.232 117.189 4.043 19249 775 1 6 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.219 0.183 19249 776 1 6 . 1 1 5 5 LYS H H 5 8.301 8.301 7.737 0.564 19249 777 1 6 . 1 1 6 6 SER N N 6 120.486 120.486 115.293 5.193 19249 778 1 6 . 1 1 6 6 SER HA H 6 4.305 4.305 4.131 0.174 19249 779 1 6 . 1 1 6 6 SER H H 6 8.215 8.215 8.175 0.040 19249 780 1 6 . 1 1 7 7 LYS N N 7 123.967 123.967 120.597 3.370 19249 781 1 6 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.453 -0.173 19249 782 1 6 . 1 1 7 7 LYS H H 7 8.504 8.504 7.876 0.628 19249 783 1 6 . 1 1 8 8 GLU N N 8 122.475 122.475 122.772 -0.297 19249 784 1 6 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.208 0.115 19249 785 1 6 . 1 1 8 8 GLU H H 8 8.386 8.386 8.603 -0.217 19249 786 1 6 . 1 1 9 9 ILE N N 9 123.504 123.504 123.903 -0.399 19249 787 1 6 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.135 0.255 19249 788 1 6 . 1 1 9 9 ILE H H 9 8.434 8.434 8.267 0.167 19249 789 1 6 . 1 1 10 10 SER N N 10 117.254 117.254 120.978 -3.724 19249 790 1 6 . 1 1 10 10 SER HA H 10 4.454 4.454 4.420 0.034 19249 791 1 6 . 1 1 10 10 SER H H 10 8.440 8.440 8.177 0.263 19249 792 1 6 . 1 1 11 11 GLN N N 11 121.678 121.678 122.620 -0.942 19249 793 1 6 . 1 1 11 11 GLN HA H 11 4.441 4.441 4.151 0.290 19249 794 1 6 . 1 1 11 11 GLN H H 11 9.073 9.073 8.524 0.549 19249 795 1 6 . 1 1 12 12 ASP N N 12 118.249 118.249 120.774 -2.525 19249 796 1 6 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.354 0.061 19249 797 1 6 . 1 1 12 12 ASP H H 12 8.509 8.509 8.428 0.080 19249 798 1 6 . 1 1 13 13 LEU N N 13 122.227 122.227 118.898 3.329 19249 799 1 6 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.010 0.169 19249 800 1 6 . 1 1 13 13 LEU H H 13 7.739 7.739 7.446 0.293 19249 801 1 6 . 1 1 14 14 ARG N N 14 119.492 119.492 119.102 0.390 19249 802 1 6 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.992 -0.224 19249 803 1 6 . 1 1 14 14 ARG H H 14 8.456 8.456 7.491 0.965 19249 804 1 6 . 1 1 15 15 LYS N N 15 117.503 117.503 118.695 -1.192 19249 805 1 6 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.085 -0.143 19249 806 1 6 . 1 1 15 15 LYS H H 15 7.835 7.835 8.173 -0.338 19249 807 1 6 . 1 1 16 16 LYS N N 16 118.746 118.746 120.807 -2.061 19249 808 1 6 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.082 0.057 19249 809 1 6 . 1 1 16 16 LYS H H 16 7.642 7.642 7.727 -0.085 19249 810 1 6 . 1 1 17 17 ILE N N 17 119.243 119.243 119.465 -0.222 19249 811 1 6 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.784 -0.354 19249 812 1 6 . 1 1 17 17 ILE H H 17 8.349 8.349 7.850 0.499 19249 813 1 6 . 1 1 18 18 VAL N N 18 118.995 118.995 119.262 -0.267 19249 814 1 6 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.464 -0.178 19249 815 1 6 . 1 1 18 18 VAL H H 18 7.910 7.910 7.243 0.667 19249 816 1 6 . 1 1 19 19 ASP N N 19 120.735 120.735 120.919 -0.184 19249 817 1 6 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.339 0.023 19249 818 1 6 . 1 1 19 19 ASP H H 19 8.654 8.654 8.003 0.651 19249 819 1 6 . 1 1 20 20 LEU N N 20 120.780 120.780 118.478 2.302 19249 820 1 6 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.126 0.013 19249 821 1 6 . 1 1 20 20 LEU H H 20 8.343 8.343 8.009 0.334 19249 822 1 6 . 1 1 21 21 HIS N N 21 122.724 122.724 117.502 5.222 19249 823 1 6 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.178 0.237 19249 824 1 6 . 1 1 21 21 HIS H H 21 8.670 8.670 7.796 0.874 19249 825 1 6 . 1 1 22 22 LYS N N 22 121.277 121.277 119.065 2.212 19249 826 1 6 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.244 -0.407 19249 827 1 6 . 1 1 22 22 LYS H H 22 9.097 9.097 7.526 1.571 19249 828 1 6 . 1 1 23 23 SER N N 23 111.785 111.785 113.535 -1.750 19249 829 1 6 . 1 1 23 23 SER HA H 23 4.507 4.507 4.415 0.092 19249 830 1 6 . 1 1 23 23 SER H H 23 7.658 7.658 7.437 0.221 19249 831 1 6 . 1 1 24 24 GLY N N 24 108.056 108.056 109.610 -1.554 19249 832 1 6 . 1 1 24 24 GLY H H 24 7.669 7.669 7.644 0.025 19249 833 1 6 . 1 1 25 25 SER N N 25 117.752 117.752 119.200 -1.448 19249 834 1 6 . 1 1 25 25 SER HA H 25 4.520 4.520 4.251 0.269 19249 835 1 6 . 1 1 25 25 SER H H 25 7.947 7.947 8.118 -0.171 19249 836 1 6 . 1 1 26 26 SER N N 26 119.954 119.954 117.764 2.190 19249 837 1 6 . 1 1 26 26 SER H H 26 8.749 8.749 8.244 0.505 19249 838 1 6 . 1 1 27 27 LEU N N 27 121.232 121.232 123.885 -2.653 19249 839 1 6 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.204 0.336 19249 840 1 6 . 1 1 27 27 LEU H H 27 8.761 8.761 7.879 0.882 19249 841 1 6 . 1 1 28 28 GLY N N 28 105.556 105.556 105.157 0.399 19249 842 1 6 . 1 1 28 28 GLY H H 28 8.843 8.843 8.121 0.722 19249 843 1 6 . 1 1 29 29 ALA N N 29 125.956 125.956 124.720 1.236 19249 844 1 6 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.203 -0.002 19249 845 1 6 . 1 1 29 29 ALA H H 29 7.996 7.996 7.548 0.448 19249 846 1 6 . 1 1 30 30 ILE N N 30 119.787 119.787 116.146 3.641 19249 847 1 6 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.607 -0.140 19249 848 1 6 . 1 1 30 30 ILE H H 30 8.439 8.439 8.001 0.438 19249 849 1 6 . 1 1 31 31 SER N N 31 112.282 112.282 115.846 -3.564 19249 850 1 6 . 1 1 31 31 SER HA H 31 4.271 4.271 4.084 0.187 19249 851 1 6 . 1 1 31 31 SER H H 31 8.017 8.017 8.132 -0.115 19249 852 1 6 . 1 1 32 32 LYS N N 32 118.497 118.497 121.335 -2.838 19249 853 1 6 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.138 0.014 19249 854 1 6 . 1 1 32 32 LYS H H 32 8.022 8.022 7.293 0.729 19249 855 1 6 . 1 1 33 33 ARG N N 33 118.746 118.746 117.435 1.311 19249 856 1 6 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.225 -0.099 19249 857 1 6 . 1 1 33 33 ARG H H 33 8.226 8.226 8.216 0.010 19249 858 1 6 . 1 1 34 34 LEU N N 34 113.774 113.774 119.532 -5.758 19249 859 1 6 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.367 0.036 19249 860 1 6 . 1 1 34 34 LEU H H 34 8.199 8.199 7.771 0.428 19249 861 1 6 . 1 1 35 35 LYS N N 35 116.757 116.757 118.184 -1.427 19249 862 1 6 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.138 -0.143 19249 863 1 6 . 1 1 35 35 LYS H H 35 7.776 7.776 7.668 0.108 19249 864 1 6 . 1 1 36 36 VAL N N 36 115.514 115.514 115.764 -0.250 19249 865 1 6 . 1 1 36 36 VAL H H 36 7.621 7.621 7.773 -0.152 19249 866 1 6 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.561 -0.575 19249 867 1 6 . 1 1 38 38 ARG N N 38 127.231 127.231 123.214 4.017 19249 868 1 6 . 1 1 38 38 ARG HA H 38 4.425 4.425 4.005 0.420 19249 869 1 6 . 1 1 38 38 ARG H H 38 9.180 9.180 8.846 0.334 19249 870 1 6 . 1 1 39 39 SER N N 39 112.531 112.531 115.153 -2.622 19249 871 1 6 . 1 1 39 39 SER HA H 39 4.226 4.226 4.238 -0.012 19249 872 1 6 . 1 1 39 39 SER H H 39 8.895 8.895 8.657 0.238 19249 873 1 6 . 1 1 40 40 SER N N 40 118.995 118.995 118.333 0.662 19249 874 1 6 . 1 1 40 40 SER HA H 40 4.481 4.481 4.221 0.260 19249 875 1 6 . 1 1 40 40 SER H H 40 7.284 7.284 7.559 -0.275 19249 876 1 6 . 1 1 41 41 VAL N N 41 121.729 121.729 121.905 -0.176 19249 877 1 6 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.625 -0.214 19249 878 1 6 . 1 1 41 41 VAL H H 41 7.717 7.717 7.709 0.008 19249 879 1 6 . 1 1 42 42 GLN N N 42 117.503 117.503 118.009 -0.506 19249 880 1 6 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.053 -0.168 19249 881 1 6 . 1 1 42 42 GLN H H 42 8.718 8.718 8.760 -0.042 19249 882 1 6 . 1 1 43 43 THR N N 43 115.265 115.265 116.872 -1.607 19249 883 1 6 . 1 1 43 43 THR HA H 43 4.353 4.353 4.111 0.242 19249 884 1 6 . 1 1 43 43 THR H H 43 7.819 7.819 7.677 0.142 19249 885 1 6 . 1 1 44 44 ILE N N 44 121.978 121.978 119.434 2.544 19249 886 1 6 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.046 -0.288 19249 887 1 6 . 1 1 44 44 ILE H H 44 7.761 7.761 7.905 -0.144 19249 888 1 6 . 1 1 45 45 VAL N N 45 118.992 118.992 118.567 0.425 19249 889 1 6 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.666 -0.167 19249 890 1 6 . 1 1 45 45 VAL H H 45 8.447 8.447 8.284 0.163 19249 891 1 6 . 1 1 46 46 ARG N N 46 119.492 119.492 120.605 -1.113 19249 892 1 6 . 1 1 46 46 ARG HA H 46 4.014 4.014 4.065 -0.051 19249 893 1 6 . 1 1 46 46 ARG H H 46 8.247 8.247 7.654 0.593 19249 894 1 6 . 1 1 47 47 LYS N N 47 118.000 118.000 119.915 -1.915 19249 895 1 6 . 1 1 47 47 LYS H H 47 7.878 7.878 7.579 0.299 19249 896 1 6 . 1 1 48 48 TYR N N 48 119.989 119.989 121.677 -1.688 19249 897 1 6 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.289 0.146 19249 898 1 6 . 1 1 48 48 TYR H H 48 7.942 7.942 8.126 -0.184 19249 899 1 6 . 1 1 49 49 LYS N N 49 120.735 120.735 118.480 2.255 19249 900 1 6 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.787 0.195 19249 901 1 6 . 1 1 49 49 LYS H H 49 8.135 8.135 8.546 -0.411 19249 902 1 6 . 1 1 50 50 HIS N N 50 118.000 118.000 119.195 -1.195 19249 903 1 6 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.342 0.231 19249 904 1 6 . 1 1 50 50 HIS H H 50 8.081 8.081 7.932 0.149 19249 905 1 6 . 1 1 51 51 HIS N N 51 119.870 119.870 120.616 -0.746 19249 906 1 6 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.697 -0.083 19249 907 1 6 . 1 1 51 51 HIS H H 51 8.361 8.361 8.202 0.159 19249 908 1 6 . 1 1 52 52 GLY N N 52 109.796 109.796 107.383 2.413 19249 909 1 6 . 1 1 52 52 GLY H H 52 8.429 8.429 8.110 0.319 19249 910 1 6 . 1 1 53 53 THR N N 53 113.525 113.525 111.318 2.207 19249 911 1 6 . 1 1 53 53 THR HA H 53 4.507 4.507 4.135 0.372 19249 912 1 6 . 1 1 53 53 THR H H 53 8.151 8.151 7.634 0.517 19249 913 1 6 . 1 1 54 54 THR N N 54 116.508 116.508 115.647 0.861 19249 914 1 6 . 1 1 54 54 THR HA H 54 4.395 4.395 3.988 0.407 19249 915 1 6 . 1 1 54 54 THR H H 54 8.295 8.295 7.589 0.706 19249 916 1 6 . 1 1 55 55 GLN N N 55 122.972 122.972 122.331 0.641 19249 917 1 6 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.009 0.353 19249 918 1 6 . 1 1 55 55 GLN H H 55 8.472 8.472 7.478 0.994 19249 919 1 7 . 1 1 2 2 SER N N 2 119.504 119.504 114.515 4.989 19249 920 1 7 . 1 1 2 2 SER HA H 2 4.148 4.148 4.597 -0.449 19249 921 1 7 . 1 1 2 2 SER H H 2 8.216 8.216 8.001 0.215 19249 922 1 7 . 1 1 3 3 MET N N 3 121.232 121.232 121.393 -0.161 19249 923 1 7 . 1 1 3 3 MET HA H 3 4.293 4.293 4.513 -0.220 19249 924 1 7 . 1 1 3 3 MET H H 3 8.370 8.370 8.069 0.301 19249 925 1 7 . 1 1 4 4 GLY N N 4 110.044 110.044 107.858 2.186 19249 926 1 7 . 1 1 4 4 GLY H H 4 8.509 8.509 8.173 0.336 19249 927 1 7 . 1 1 5 5 LYS N N 5 121.232 121.232 121.622 -0.390 19249 928 1 7 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.197 0.205 19249 929 1 7 . 1 1 5 5 LYS H H 5 8.301 8.301 7.801 0.500 19249 930 1 7 . 1 1 6 6 SER N N 6 120.486 120.486 115.811 4.675 19249 931 1 7 . 1 1 6 6 SER HA H 6 4.305 4.305 4.140 0.165 19249 932 1 7 . 1 1 6 6 SER H H 6 8.215 8.215 8.692 -0.477 19249 933 1 7 . 1 1 7 7 LYS N N 7 123.967 123.967 123.527 0.440 19249 934 1 7 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.423 -0.143 19249 935 1 7 . 1 1 7 7 LYS H H 7 8.504 8.504 8.439 0.065 19249 936 1 7 . 1 1 8 8 GLU N N 8 122.475 122.475 126.119 -3.644 19249 937 1 7 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.431 -0.108 19249 938 1 7 . 1 1 8 8 GLU H H 8 8.386 8.386 8.886 -0.500 19249 939 1 7 . 1 1 9 9 ILE N N 9 123.504 123.504 123.059 0.445 19249 940 1 7 . 1 1 9 9 ILE HA H 9 4.390 4.390 3.884 0.506 19249 941 1 7 . 1 1 9 9 ILE H H 9 8.434 8.434 8.454 -0.020 19249 942 1 7 . 1 1 10 10 SER N N 10 117.254 117.254 116.906 0.348 19249 943 1 7 . 1 1 10 10 SER HA H 10 4.454 4.454 4.159 0.295 19249 944 1 7 . 1 1 10 10 SER H H 10 8.440 8.440 8.368 0.072 19249 945 1 7 . 1 1 11 11 GLN N N 11 121.678 121.678 121.866 -0.188 19249 946 1 7 . 1 1 11 11 GLN HA H 11 4.441 4.441 4.017 0.424 19249 947 1 7 . 1 1 11 11 GLN H H 11 9.073 9.073 7.590 1.483 19249 948 1 7 . 1 1 12 12 ASP N N 12 118.249 118.249 120.505 -2.256 19249 949 1 7 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.364 0.051 19249 950 1 7 . 1 1 12 12 ASP H H 12 8.509 8.509 7.690 0.819 19249 951 1 7 . 1 1 13 13 LEU N N 13 122.227 122.227 121.698 0.529 19249 952 1 7 . 1 1 13 13 LEU HA H 13 4.179 4.179 3.975 0.204 19249 953 1 7 . 1 1 13 13 LEU H H 13 7.739 7.739 8.311 -0.572 19249 954 1 7 . 1 1 14 14 ARG N N 14 119.492 119.492 118.896 0.596 19249 955 1 7 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.912 -0.144 19249 956 1 7 . 1 1 14 14 ARG H H 14 8.456 8.456 8.388 0.068 19249 957 1 7 . 1 1 15 15 LYS N N 15 117.503 117.503 119.130 -1.627 19249 958 1 7 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.017 -0.075 19249 959 1 7 . 1 1 15 15 LYS H H 15 7.835 7.835 7.915 -0.080 19249 960 1 7 . 1 1 16 16 LYS N N 16 118.746 118.746 119.884 -1.138 19249 961 1 7 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.096 0.043 19249 962 1 7 . 1 1 16 16 LYS H H 16 7.642 7.642 7.775 -0.133 19249 963 1 7 . 1 1 17 17 ILE N N 17 119.243 119.243 121.386 -2.143 19249 964 1 7 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.740 -0.310 19249 965 1 7 . 1 1 17 17 ILE H H 17 8.349 8.349 8.416 -0.067 19249 966 1 7 . 1 1 18 18 VAL N N 18 118.995 118.995 119.160 -0.165 19249 967 1 7 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.300 -0.014 19249 968 1 7 . 1 1 18 18 VAL H H 18 7.910 7.910 8.201 -0.291 19249 969 1 7 . 1 1 19 19 ASP N N 19 120.735 120.735 119.890 0.845 19249 970 1 7 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.332 0.030 19249 971 1 7 . 1 1 19 19 ASP H H 19 8.654 8.654 7.479 1.175 19249 972 1 7 . 1 1 20 20 LEU N N 20 120.780 120.780 119.476 1.304 19249 973 1 7 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.009 0.130 19249 974 1 7 . 1 1 20 20 LEU H H 20 8.343 8.343 8.514 -0.171 19249 975 1 7 . 1 1 21 21 HIS N N 21 122.724 122.724 118.083 4.641 19249 976 1 7 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.287 0.128 19249 977 1 7 . 1 1 21 21 HIS H H 21 8.670 8.670 8.146 0.524 19249 978 1 7 . 1 1 22 22 LYS N N 22 121.277 121.277 117.185 4.092 19249 979 1 7 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.284 -0.447 19249 980 1 7 . 1 1 22 22 LYS H H 22 9.097 9.097 7.787 1.310 19249 981 1 7 . 1 1 23 23 SER N N 23 111.785 111.785 113.150 -1.365 19249 982 1 7 . 1 1 23 23 SER HA H 23 4.507 4.507 4.477 0.030 19249 983 1 7 . 1 1 23 23 SER H H 23 7.658 7.658 7.628 0.030 19249 984 1 7 . 1 1 24 24 GLY N N 24 108.056 108.056 109.667 -1.611 19249 985 1 7 . 1 1 24 24 GLY H H 24 7.669 7.669 7.427 0.242 19249 986 1 7 . 1 1 25 25 SER N N 25 117.752 117.752 120.516 -2.764 19249 987 1 7 . 1 1 25 25 SER HA H 25 4.520 4.520 4.326 0.194 19249 988 1 7 . 1 1 25 25 SER H H 25 7.947 7.947 8.096 -0.149 19249 989 1 7 . 1 1 26 26 SER N N 26 119.954 119.954 117.926 2.028 19249 990 1 7 . 1 1 26 26 SER H H 26 8.749 8.749 8.034 0.715 19249 991 1 7 . 1 1 27 27 LEU N N 27 121.232 121.232 122.758 -1.526 19249 992 1 7 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.088 0.452 19249 993 1 7 . 1 1 27 27 LEU H H 27 8.761 8.761 7.387 1.374 19249 994 1 7 . 1 1 28 28 GLY N N 28 105.556 105.556 106.015 -0.459 19249 995 1 7 . 1 1 28 28 GLY H H 28 8.843 8.843 7.981 0.862 19249 996 1 7 . 1 1 29 29 ALA N N 29 125.956 125.956 124.891 1.065 19249 997 1 7 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.097 0.104 19249 998 1 7 . 1 1 29 29 ALA H H 29 7.996 7.996 7.247 0.749 19249 999 1 7 . 1 1 30 30 ILE N N 30 119.787 119.787 114.874 4.913 19249 1000 1 7 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.732 -0.265 19249 1001 1 7 . 1 1 30 30 ILE H H 30 8.439 8.439 7.464 0.975 19249 1002 1 7 . 1 1 31 31 SER N N 31 112.282 112.282 117.495 -5.213 19249 1003 1 7 . 1 1 31 31 SER HA H 31 4.271 4.271 4.071 0.200 19249 1004 1 7 . 1 1 31 31 SER H H 31 8.017 8.017 8.012 0.005 19249 1005 1 7 . 1 1 32 32 LYS N N 32 118.497 118.497 119.692 -1.195 19249 1006 1 7 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.114 0.038 19249 1007 1 7 . 1 1 32 32 LYS H H 32 8.022 8.022 7.645 0.377 19249 1008 1 7 . 1 1 33 33 ARG N N 33 118.746 118.746 118.389 0.357 19249 1009 1 7 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.163 -0.037 19249 1010 1 7 . 1 1 33 33 ARG H H 33 8.226 8.226 7.619 0.607 19249 1011 1 7 . 1 1 34 34 LEU N N 34 113.774 113.774 117.389 -3.615 19249 1012 1 7 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.306 0.097 19249 1013 1 7 . 1 1 34 34 LEU H H 34 8.199 8.199 8.186 0.013 19249 1014 1 7 . 1 1 35 35 LYS N N 35 116.757 116.757 115.227 1.530 19249 1015 1 7 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.061 -0.066 19249 1016 1 7 . 1 1 35 35 LYS H H 35 7.776 7.776 7.744 0.032 19249 1017 1 7 . 1 1 36 36 VAL N N 36 115.514 115.514 119.195 -3.681 19249 1018 1 7 . 1 1 36 36 VAL H H 36 7.621 7.621 7.880 -0.259 19249 1019 1 7 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.420 -0.434 19249 1020 1 7 . 1 1 38 38 ARG N N 38 127.231 127.231 126.685 0.546 19249 1021 1 7 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.926 0.499 19249 1022 1 7 . 1 1 38 38 ARG H H 38 9.180 9.180 8.889 0.291 19249 1023 1 7 . 1 1 39 39 SER N N 39 112.531 112.531 113.783 -1.252 19249 1024 1 7 . 1 1 39 39 SER HA H 39 4.226 4.226 4.218 0.008 19249 1025 1 7 . 1 1 39 39 SER H H 39 8.895 8.895 8.585 0.310 19249 1026 1 7 . 1 1 40 40 SER N N 40 118.995 118.995 118.423 0.572 19249 1027 1 7 . 1 1 40 40 SER HA H 40 4.481 4.481 4.240 0.241 19249 1028 1 7 . 1 1 40 40 SER H H 40 7.284 7.284 7.629 -0.345 19249 1029 1 7 . 1 1 41 41 VAL N N 41 121.729 121.729 122.190 -0.461 19249 1030 1 7 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.714 -0.303 19249 1031 1 7 . 1 1 41 41 VAL H H 41 7.717 7.717 8.077 -0.360 19249 1032 1 7 . 1 1 42 42 GLN N N 42 117.503 117.503 119.628 -2.125 19249 1033 1 7 . 1 1 42 42 GLN HA H 42 3.885 3.885 3.932 -0.047 19249 1034 1 7 . 1 1 42 42 GLN H H 42 8.718 8.718 8.612 0.106 19249 1035 1 7 . 1 1 43 43 THR N N 43 115.265 115.265 116.874 -1.609 19249 1036 1 7 . 1 1 43 43 THR HA H 43 4.353 4.353 3.982 0.371 19249 1037 1 7 . 1 1 43 43 THR H H 43 7.819 7.819 7.433 0.386 19249 1038 1 7 . 1 1 44 44 ILE N N 44 121.978 121.978 121.537 0.441 19249 1039 1 7 . 1 1 44 44 ILE HA H 44 3.758 3.758 3.844 -0.086 19249 1040 1 7 . 1 1 44 44 ILE H H 44 7.761 7.761 7.471 0.290 19249 1041 1 7 . 1 1 45 45 VAL N N 45 118.992 118.992 117.229 1.763 19249 1042 1 7 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.021 0.478 19249 1043 1 7 . 1 1 45 45 VAL H H 45 8.447 8.447 8.443 0.004 19249 1044 1 7 . 1 1 46 46 ARG N N 46 119.492 119.492 120.081 -0.589 19249 1045 1 7 . 1 1 46 46 ARG HA H 46 4.014 4.014 3.856 0.158 19249 1046 1 7 . 1 1 46 46 ARG H H 46 8.247 8.247 7.833 0.414 19249 1047 1 7 . 1 1 47 47 LYS N N 47 118.000 118.000 119.742 -1.742 19249 1048 1 7 . 1 1 47 47 LYS H H 47 7.878 7.878 7.685 0.193 19249 1049 1 7 . 1 1 48 48 TYR N N 48 119.989 119.989 116.658 3.331 19249 1050 1 7 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.528 -0.093 19249 1051 1 7 . 1 1 48 48 TYR H H 48 7.942 7.942 7.924 0.018 19249 1052 1 7 . 1 1 49 49 LYS N N 49 120.735 120.735 120.883 -0.148 19249 1053 1 7 . 1 1 49 49 LYS HA H 49 3.982 3.982 4.020 -0.038 19249 1054 1 7 . 1 1 49 49 LYS H H 49 8.135 8.135 7.344 0.791 19249 1055 1 7 . 1 1 50 50 HIS N N 50 118.000 118.000 120.259 -2.259 19249 1056 1 7 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.354 0.219 19249 1057 1 7 . 1 1 50 50 HIS H H 50 8.081 8.081 7.898 0.183 19249 1058 1 7 . 1 1 51 51 HIS N N 51 119.870 119.870 118.564 1.306 19249 1059 1 7 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.288 0.326 19249 1060 1 7 . 1 1 51 51 HIS H H 51 8.361 8.361 8.016 0.345 19249 1061 1 7 . 1 1 52 52 GLY N N 52 109.796 109.796 104.989 4.807 19249 1062 1 7 . 1 1 52 52 GLY H H 52 8.429 8.429 8.201 0.228 19249 1063 1 7 . 1 1 53 53 THR N N 53 113.525 113.525 117.996 -4.471 19249 1064 1 7 . 1 1 53 53 THR HA H 53 4.507 4.507 4.152 0.355 19249 1065 1 7 . 1 1 53 53 THR H H 53 8.151 8.151 7.583 0.568 19249 1066 1 7 . 1 1 54 54 THR N N 54 116.508 116.508 111.589 4.919 19249 1067 1 7 . 1 1 54 54 THR HA H 54 4.395 4.395 4.502 -0.107 19249 1068 1 7 . 1 1 54 54 THR H H 54 8.295 8.295 7.565 0.730 19249 1069 1 7 . 1 1 55 55 GLN N N 55 122.972 122.972 122.384 0.588 19249 1070 1 7 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.302 0.060 19249 1071 1 7 . 1 1 55 55 GLN H H 55 8.472 8.472 7.768 0.704 19249 1072 1 8 . 1 1 2 2 SER N N 2 119.504 119.504 117.324 2.180 19249 1073 1 8 . 1 1 2 2 SER HA H 2 4.148 4.148 4.421 -0.273 19249 1074 1 8 . 1 1 2 2 SER H H 2 8.216 8.216 8.653 -0.437 19249 1075 1 8 . 1 1 3 3 MET N N 3 121.232 121.232 120.411 0.821 19249 1076 1 8 . 1 1 3 3 MET HA H 3 4.293 4.293 4.633 -0.340 19249 1077 1 8 . 1 1 3 3 MET H H 3 8.370 8.370 8.302 0.068 19249 1078 1 8 . 1 1 4 4 GLY N N 4 110.044 110.044 109.405 0.639 19249 1079 1 8 . 1 1 4 4 GLY H H 4 8.509 8.509 7.697 0.812 19249 1080 1 8 . 1 1 5 5 LYS N N 5 121.232 121.232 121.071 0.161 19249 1081 1 8 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.470 -0.068 19249 1082 1 8 . 1 1 5 5 LYS H H 5 8.301 8.301 8.266 0.035 19249 1083 1 8 . 1 1 6 6 SER N N 6 120.486 120.486 120.610 -0.124 19249 1084 1 8 . 1 1 6 6 SER HA H 6 4.305 4.305 4.640 -0.335 19249 1085 1 8 . 1 1 6 6 SER H H 6 8.215 8.215 8.662 -0.447 19249 1086 1 8 . 1 1 7 7 LYS N N 7 123.967 123.967 125.864 -1.897 19249 1087 1 8 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.329 -0.049 19249 1088 1 8 . 1 1 7 7 LYS H H 7 8.504 8.504 8.525 -0.021 19249 1089 1 8 . 1 1 8 8 GLU N N 8 122.475 122.475 119.639 2.836 19249 1090 1 8 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.433 -0.110 19249 1091 1 8 . 1 1 8 8 GLU H H 8 8.386 8.386 8.222 0.164 19249 1092 1 8 . 1 1 9 9 ILE N N 9 123.504 123.504 125.844 -2.340 19249 1093 1 8 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.368 0.022 19249 1094 1 8 . 1 1 9 9 ILE H H 9 8.434 8.434 8.376 0.058 19249 1095 1 8 . 1 1 10 10 SER N N 10 117.254 117.254 124.409 -7.155 19249 1096 1 8 . 1 1 10 10 SER HA H 10 4.454 4.454 4.617 -0.163 19249 1097 1 8 . 1 1 10 10 SER H H 10 8.440 8.440 8.609 -0.169 19249 1098 1 8 . 1 1 11 11 GLN N N 11 121.678 121.678 126.069 -4.391 19249 1099 1 8 . 1 1 11 11 GLN HA H 11 4.441 4.441 4.283 0.158 19249 1100 1 8 . 1 1 11 11 GLN H H 11 9.073 9.073 8.286 0.787 19249 1101 1 8 . 1 1 12 12 ASP N N 12 118.249 118.249 119.928 -1.679 19249 1102 1 8 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.390 0.025 19249 1103 1 8 . 1 1 12 12 ASP H H 12 8.509 8.509 8.656 -0.147 19249 1104 1 8 . 1 1 13 13 LEU N N 13 122.227 122.227 119.779 2.448 19249 1105 1 8 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.077 0.102 19249 1106 1 8 . 1 1 13 13 LEU H H 13 7.739 7.739 7.962 -0.223 19249 1107 1 8 . 1 1 14 14 ARG N N 14 119.492 119.492 118.073 1.419 19249 1108 1 8 . 1 1 14 14 ARG HA H 14 3.768 3.768 4.022 -0.254 19249 1109 1 8 . 1 1 14 14 ARG H H 14 8.456 8.456 8.485 -0.029 19249 1110 1 8 . 1 1 15 15 LYS N N 15 117.503 117.503 119.517 -2.014 19249 1111 1 8 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.128 -0.186 19249 1112 1 8 . 1 1 15 15 LYS H H 15 7.835 7.835 7.475 0.360 19249 1113 1 8 . 1 1 16 16 LYS N N 16 118.746 118.746 121.120 -2.374 19249 1114 1 8 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.059 0.080 19249 1115 1 8 . 1 1 16 16 LYS H H 16 7.642 7.642 8.098 -0.456 19249 1116 1 8 . 1 1 17 17 ILE N N 17 119.243 119.243 119.743 -0.500 19249 1117 1 8 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.872 -0.442 19249 1118 1 8 . 1 1 17 17 ILE H H 17 8.349 8.349 8.369 -0.020 19249 1119 1 8 . 1 1 18 18 VAL N N 18 118.995 118.995 120.209 -1.214 19249 1120 1 8 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.314 -0.028 19249 1121 1 8 . 1 1 18 18 VAL H H 18 7.910 7.910 7.251 0.659 19249 1122 1 8 . 1 1 19 19 ASP N N 19 120.735 120.735 119.952 0.783 19249 1123 1 8 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.371 -0.009 19249 1124 1 8 . 1 1 19 19 ASP H H 19 8.654 8.654 8.097 0.557 19249 1125 1 8 . 1 1 20 20 LEU N N 20 120.780 120.780 117.166 3.614 19249 1126 1 8 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.292 -0.153 19249 1127 1 8 . 1 1 20 20 LEU H H 20 8.343 8.343 8.413 -0.070 19249 1128 1 8 . 1 1 21 21 HIS N N 21 122.724 122.724 117.657 5.067 19249 1129 1 8 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.468 -0.053 19249 1130 1 8 . 1 1 21 21 HIS H H 21 8.670 8.670 7.675 0.995 19249 1131 1 8 . 1 1 22 22 LYS N N 22 121.277 121.277 118.634 2.643 19249 1132 1 8 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.239 -0.402 19249 1133 1 8 . 1 1 22 22 LYS H H 22 9.097 9.097 7.547 1.550 19249 1134 1 8 . 1 1 23 23 SER N N 23 111.785 111.785 112.827 -1.042 19249 1135 1 8 . 1 1 23 23 SER HA H 23 4.507 4.507 4.394 0.113 19249 1136 1 8 . 1 1 23 23 SER H H 23 7.658 7.658 7.648 0.010 19249 1137 1 8 . 1 1 24 24 GLY N N 24 108.056 108.056 110.731 -2.675 19249 1138 1 8 . 1 1 24 24 GLY H H 24 7.669 7.669 8.421 -0.752 19249 1139 1 8 . 1 1 25 25 SER N N 25 117.752 117.752 117.032 0.720 19249 1140 1 8 . 1 1 25 25 SER HA H 25 4.520 4.520 4.362 0.158 19249 1141 1 8 . 1 1 25 25 SER H H 25 7.947 7.947 7.514 0.433 19249 1142 1 8 . 1 1 26 26 SER N N 26 119.954 119.954 115.884 4.070 19249 1143 1 8 . 1 1 26 26 SER H H 26 8.749 8.749 8.107 0.642 19249 1144 1 8 . 1 1 27 27 LEU N N 27 121.232 121.232 123.880 -2.648 19249 1145 1 8 . 1 1 27 27 LEU HA H 27 4.540 4.540 3.961 0.579 19249 1146 1 8 . 1 1 27 27 LEU H H 27 8.761 8.761 7.460 1.301 19249 1147 1 8 . 1 1 28 28 GLY N N 28 105.556 105.556 105.573 -0.017 19249 1148 1 8 . 1 1 28 28 GLY H H 28 8.843 8.843 8.773 0.070 19249 1149 1 8 . 1 1 29 29 ALA N N 29 125.956 125.956 124.414 1.542 19249 1150 1 8 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.144 0.057 19249 1151 1 8 . 1 1 29 29 ALA H H 29 7.996 7.996 7.604 0.392 19249 1152 1 8 . 1 1 30 30 ILE N N 30 119.787 119.787 115.851 3.936 19249 1153 1 8 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.715 -0.248 19249 1154 1 8 . 1 1 30 30 ILE H H 30 8.439 8.439 7.930 0.509 19249 1155 1 8 . 1 1 31 31 SER N N 31 112.282 112.282 116.195 -3.913 19249 1156 1 8 . 1 1 31 31 SER HA H 31 4.271 4.271 4.151 0.120 19249 1157 1 8 . 1 1 31 31 SER H H 31 8.017 8.017 8.393 -0.376 19249 1158 1 8 . 1 1 32 32 LYS N N 32 118.497 118.497 122.987 -4.490 19249 1159 1 8 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.162 -0.010 19249 1160 1 8 . 1 1 32 32 LYS H H 32 8.022 8.022 7.360 0.662 19249 1161 1 8 . 1 1 33 33 ARG N N 33 118.746 118.746 118.692 0.054 19249 1162 1 8 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.123 0.003 19249 1163 1 8 . 1 1 33 33 ARG H H 33 8.226 8.226 8.113 0.113 19249 1164 1 8 . 1 1 34 34 LEU N N 34 113.774 113.774 117.379 -3.605 19249 1165 1 8 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.344 0.059 19249 1166 1 8 . 1 1 34 34 LEU H H 34 8.199 8.199 8.162 0.037 19249 1167 1 8 . 1 1 35 35 LYS N N 35 116.757 116.757 115.708 1.049 19249 1168 1 8 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.091 -0.096 19249 1169 1 8 . 1 1 35 35 LYS H H 35 7.776 7.776 7.991 -0.215 19249 1170 1 8 . 1 1 36 36 VAL N N 36 115.514 115.514 120.324 -4.810 19249 1171 1 8 . 1 1 36 36 VAL H H 36 7.621 7.621 7.596 0.025 19249 1172 1 8 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.594 -0.608 19249 1173 1 8 . 1 1 38 38 ARG N N 38 127.231 127.231 126.707 0.524 19249 1174 1 8 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.919 0.506 19249 1175 1 8 . 1 1 38 38 ARG H H 38 9.180 9.180 8.785 0.395 19249 1176 1 8 . 1 1 39 39 SER N N 39 112.531 112.531 115.531 -3.000 19249 1177 1 8 . 1 1 39 39 SER HA H 39 4.226 4.226 4.412 -0.186 19249 1178 1 8 . 1 1 39 39 SER H H 39 8.895 8.895 8.421 0.474 19249 1179 1 8 . 1 1 40 40 SER N N 40 118.995 118.995 118.349 0.646 19249 1180 1 8 . 1 1 40 40 SER HA H 40 4.481 4.481 4.314 0.167 19249 1181 1 8 . 1 1 40 40 SER H H 40 7.284 7.284 8.044 -0.760 19249 1182 1 8 . 1 1 41 41 VAL N N 41 121.729 121.729 122.038 -0.309 19249 1183 1 8 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.780 -0.369 19249 1184 1 8 . 1 1 41 41 VAL H H 41 7.717 7.717 8.447 -0.730 19249 1185 1 8 . 1 1 42 42 GLN N N 42 117.503 117.503 118.193 -0.690 19249 1186 1 8 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.069 -0.184 19249 1187 1 8 . 1 1 42 42 GLN H H 42 8.718 8.718 7.742 0.976 19249 1188 1 8 . 1 1 43 43 THR N N 43 115.265 115.265 117.155 -1.890 19249 1189 1 8 . 1 1 43 43 THR HA H 43 4.353 4.353 4.016 0.337 19249 1190 1 8 . 1 1 43 43 THR H H 43 7.819 7.819 7.548 0.271 19249 1191 1 8 . 1 1 44 44 ILE N N 44 121.978 121.978 121.597 0.381 19249 1192 1 8 . 1 1 44 44 ILE HA H 44 3.758 3.758 3.919 -0.161 19249 1193 1 8 . 1 1 44 44 ILE H H 44 7.761 7.761 7.616 0.145 19249 1194 1 8 . 1 1 45 45 VAL N N 45 118.992 118.992 115.586 3.406 19249 1195 1 8 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.718 -0.219 19249 1196 1 8 . 1 1 45 45 VAL H H 45 8.447 8.447 7.455 0.992 19249 1197 1 8 . 1 1 46 46 ARG N N 46 119.492 119.492 121.564 -2.072 19249 1198 1 8 . 1 1 46 46 ARG HA H 46 4.014 4.014 4.043 -0.029 19249 1199 1 8 . 1 1 46 46 ARG H H 46 8.247 8.247 7.812 0.435 19249 1200 1 8 . 1 1 47 47 LYS N N 47 118.000 118.000 118.658 -0.658 19249 1201 1 8 . 1 1 47 47 LYS H H 47 7.878 7.878 7.641 0.237 19249 1202 1 8 . 1 1 48 48 TYR N N 48 119.989 119.989 122.702 -2.713 19249 1203 1 8 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.107 0.328 19249 1204 1 8 . 1 1 48 48 TYR H H 48 7.942 7.942 8.041 -0.099 19249 1205 1 8 . 1 1 49 49 LYS N N 49 120.735 120.735 119.045 1.690 19249 1206 1 8 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.646 0.336 19249 1207 1 8 . 1 1 49 49 LYS H H 49 8.135 8.135 7.725 0.410 19249 1208 1 8 . 1 1 50 50 HIS N N 50 118.000 118.000 118.753 -0.753 19249 1209 1 8 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.280 0.293 19249 1210 1 8 . 1 1 50 50 HIS H H 50 8.081 8.081 7.828 0.253 19249 1211 1 8 . 1 1 51 51 HIS N N 51 119.870 119.870 117.740 2.130 19249 1212 1 8 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.333 0.281 19249 1213 1 8 . 1 1 51 51 HIS H H 51 8.361 8.361 8.323 0.038 19249 1214 1 8 . 1 1 52 52 GLY N N 52 109.796 109.796 105.123 4.673 19249 1215 1 8 . 1 1 52 52 GLY H H 52 8.429 8.429 7.628 0.801 19249 1216 1 8 . 1 1 53 53 THR N N 53 113.525 113.525 115.958 -2.433 19249 1217 1 8 . 1 1 53 53 THR HA H 53 4.507 4.507 4.099 0.408 19249 1218 1 8 . 1 1 53 53 THR H H 53 8.151 8.151 7.251 0.900 19249 1219 1 8 . 1 1 54 54 THR N N 54 116.508 116.508 113.053 3.455 19249 1220 1 8 . 1 1 54 54 THR HA H 54 4.395 4.395 4.455 -0.060 19249 1221 1 8 . 1 1 54 54 THR H H 54 8.295 8.295 7.480 0.815 19249 1222 1 8 . 1 1 55 55 GLN N N 55 122.972 122.972 119.821 3.151 19249 1223 1 8 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.052 0.310 19249 1224 1 8 . 1 1 55 55 GLN H H 55 8.472 8.472 8.187 0.285 19249 1225 1 9 . 1 1 2 2 SER N N 2 119.504 119.504 120.136 -0.632 19249 1226 1 9 . 1 1 2 2 SER HA H 2 4.148 4.148 4.802 -0.654 19249 1227 1 9 . 1 1 2 2 SER H H 2 8.216 8.216 8.287 -0.071 19249 1228 1 9 . 1 1 3 3 MET N N 3 121.232 121.232 121.632 -0.400 19249 1229 1 9 . 1 1 3 3 MET HA H 3 4.293 4.293 4.888 -0.595 19249 1230 1 9 . 1 1 3 3 MET H H 3 8.370 8.370 8.359 0.011 19249 1231 1 9 . 1 1 4 4 GLY N N 4 110.044 110.044 109.936 0.108 19249 1232 1 9 . 1 1 4 4 GLY H H 4 8.509 8.509 8.288 0.221 19249 1233 1 9 . 1 1 5 5 LYS N N 5 121.232 121.232 122.264 -1.032 19249 1234 1 9 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.092 0.310 19249 1235 1 9 . 1 1 5 5 LYS H H 5 8.301 8.301 8.256 0.045 19249 1236 1 9 . 1 1 6 6 SER N N 6 120.486 120.486 118.528 1.958 19249 1237 1 9 . 1 1 6 6 SER HA H 6 4.305 4.305 4.507 -0.202 19249 1238 1 9 . 1 1 6 6 SER H H 6 8.215 8.215 8.635 -0.420 19249 1239 1 9 . 1 1 7 7 LYS N N 7 123.967 123.967 128.443 -4.476 19249 1240 1 9 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.356 -0.076 19249 1241 1 9 . 1 1 7 7 LYS H H 7 8.504 8.504 8.339 0.165 19249 1242 1 9 . 1 1 8 8 GLU N N 8 122.475 122.475 118.752 3.723 19249 1243 1 9 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.074 0.249 19249 1244 1 9 . 1 1 8 8 GLU H H 8 8.386 8.386 8.430 -0.044 19249 1245 1 9 . 1 1 9 9 ILE N N 9 123.504 123.504 118.903 4.601 19249 1246 1 9 . 1 1 9 9 ILE HA H 9 4.390 4.390 3.837 0.553 19249 1247 1 9 . 1 1 9 9 ILE H H 9 8.434 8.434 8.289 0.145 19249 1248 1 9 . 1 1 10 10 SER N N 10 117.254 117.254 121.275 -4.021 19249 1249 1 9 . 1 1 10 10 SER HA H 10 4.454 4.454 4.351 0.103 19249 1250 1 9 . 1 1 10 10 SER H H 10 8.440 8.440 8.588 -0.148 19249 1251 1 9 . 1 1 11 11 GLN N N 11 121.678 121.678 126.852 -5.174 19249 1252 1 9 . 1 1 11 11 GLN HA H 11 4.441 4.441 3.950 0.491 19249 1253 1 9 . 1 1 11 11 GLN H H 11 9.073 9.073 8.695 0.378 19249 1254 1 9 . 1 1 12 12 ASP N N 12 118.249 118.249 120.433 -2.184 19249 1255 1 9 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.426 -0.011 19249 1256 1 9 . 1 1 12 12 ASP H H 12 8.509 8.509 8.422 0.087 19249 1257 1 9 . 1 1 13 13 LEU N N 13 122.227 122.227 120.558 1.669 19249 1258 1 9 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.090 0.089 19249 1259 1 9 . 1 1 13 13 LEU H H 13 7.739 7.739 7.747 -0.008 19249 1260 1 9 . 1 1 14 14 ARG N N 14 119.492 119.492 118.849 0.643 19249 1261 1 9 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.921 -0.153 19249 1262 1 9 . 1 1 14 14 ARG H H 14 8.456 8.456 8.432 0.024 19249 1263 1 9 . 1 1 15 15 LYS N N 15 117.503 117.503 119.016 -1.513 19249 1264 1 9 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.100 -0.158 19249 1265 1 9 . 1 1 15 15 LYS H H 15 7.835 7.835 8.225 -0.390 19249 1266 1 9 . 1 1 16 16 LYS N N 16 118.746 118.746 120.153 -1.407 19249 1267 1 9 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.069 0.070 19249 1268 1 9 . 1 1 16 16 LYS H H 16 7.642 7.642 8.287 -0.645 19249 1269 1 9 . 1 1 17 17 ILE N N 17 119.243 119.243 120.596 -1.353 19249 1270 1 9 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.753 -0.323 19249 1271 1 9 . 1 1 17 17 ILE H H 17 8.349 8.349 8.346 0.003 19249 1272 1 9 . 1 1 18 18 VAL N N 18 118.995 118.995 120.621 -1.626 19249 1273 1 9 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.436 -0.150 19249 1274 1 9 . 1 1 18 18 VAL H H 18 7.910 7.910 7.478 0.432 19249 1275 1 9 . 1 1 19 19 ASP N N 19 120.735 120.735 120.549 0.186 19249 1276 1 9 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.367 -0.005 19249 1277 1 9 . 1 1 19 19 ASP H H 19 8.654 8.654 7.879 0.775 19249 1278 1 9 . 1 1 20 20 LEU N N 20 120.780 120.780 116.998 3.782 19249 1279 1 9 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.177 -0.038 19249 1280 1 9 . 1 1 20 20 LEU H H 20 8.343 8.343 8.120 0.223 19249 1281 1 9 . 1 1 21 21 HIS N N 21 122.724 122.724 115.860 6.864 19249 1282 1 9 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.406 0.009 19249 1283 1 9 . 1 1 21 21 HIS H H 21 8.670 8.670 7.515 1.155 19249 1284 1 9 . 1 1 22 22 LYS N N 22 121.277 121.277 118.362 2.915 19249 1285 1 9 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.346 -0.508 19249 1286 1 9 . 1 1 22 22 LYS H H 22 9.097 9.097 7.572 1.525 19249 1287 1 9 . 1 1 23 23 SER N N 23 111.785 111.785 114.430 -2.645 19249 1288 1 9 . 1 1 23 23 SER HA H 23 4.507 4.507 4.313 0.194 19249 1289 1 9 . 1 1 23 23 SER H H 23 7.658 7.658 7.770 -0.112 19249 1290 1 9 . 1 1 24 24 GLY N N 24 108.056 108.056 109.650 -1.594 19249 1291 1 9 . 1 1 24 24 GLY H H 24 7.669 7.669 7.753 -0.084 19249 1292 1 9 . 1 1 25 25 SER N N 25 117.752 117.752 120.568 -2.816 19249 1293 1 9 . 1 1 25 25 SER HA H 25 4.520 4.520 4.573 -0.053 19249 1294 1 9 . 1 1 25 25 SER H H 25 7.947 7.947 8.609 -0.662 19249 1295 1 9 . 1 1 26 26 SER N N 26 119.954 119.954 119.092 0.862 19249 1296 1 9 . 1 1 26 26 SER H H 26 8.749 8.749 8.270 0.479 19249 1297 1 9 . 1 1 27 27 LEU N N 27 121.232 121.232 121.848 -0.616 19249 1298 1 9 . 1 1 27 27 LEU HA H 27 4.540 4.540 3.939 0.601 19249 1299 1 9 . 1 1 27 27 LEU H H 27 8.761 8.761 7.352 1.409 19249 1300 1 9 . 1 1 28 28 GLY N N 28 105.556 105.556 105.971 -0.415 19249 1301 1 9 . 1 1 28 28 GLY H H 28 8.843 8.843 7.770 1.073 19249 1302 1 9 . 1 1 29 29 ALA N N 29 125.956 125.956 124.174 1.782 19249 1303 1 9 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.055 0.146 19249 1304 1 9 . 1 1 29 29 ALA H H 29 7.996 7.996 7.579 0.417 19249 1305 1 9 . 1 1 30 30 ILE N N 30 119.787 119.787 118.635 1.152 19249 1306 1 9 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.568 -0.101 19249 1307 1 9 . 1 1 30 30 ILE H H 30 8.439 8.439 7.701 0.738 19249 1308 1 9 . 1 1 31 31 SER N N 31 112.282 112.282 115.320 -3.038 19249 1309 1 9 . 1 1 31 31 SER HA H 31 4.271 4.271 4.250 0.021 19249 1310 1 9 . 1 1 31 31 SER H H 31 8.017 8.017 7.841 0.176 19249 1311 1 9 . 1 1 32 32 LYS N N 32 118.497 118.497 121.432 -2.935 19249 1312 1 9 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.196 -0.044 19249 1313 1 9 . 1 1 32 32 LYS H H 32 8.022 8.022 7.695 0.327 19249 1314 1 9 . 1 1 33 33 ARG N N 33 118.746 118.746 117.820 0.926 19249 1315 1 9 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.188 -0.062 19249 1316 1 9 . 1 1 33 33 ARG H H 33 8.226 8.226 8.105 0.121 19249 1317 1 9 . 1 1 34 34 LEU N N 34 113.774 113.774 117.574 -3.800 19249 1318 1 9 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.264 0.139 19249 1319 1 9 . 1 1 34 34 LEU H H 34 8.199 8.199 7.821 0.378 19249 1320 1 9 . 1 1 35 35 LYS N N 35 116.757 116.757 115.183 1.574 19249 1321 1 9 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.076 -0.081 19249 1322 1 9 . 1 1 35 35 LYS H H 35 7.776 7.776 7.695 0.081 19249 1323 1 9 . 1 1 36 36 VAL N N 36 115.514 115.514 115.100 0.414 19249 1324 1 9 . 1 1 36 36 VAL H H 36 7.621 7.621 7.671 -0.050 19249 1325 1 9 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.555 -0.569 19249 1326 1 9 . 1 1 38 38 ARG N N 38 127.231 127.231 124.751 2.480 19249 1327 1 9 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.954 0.471 19249 1328 1 9 . 1 1 38 38 ARG H H 38 9.180 9.180 8.822 0.358 19249 1329 1 9 . 1 1 39 39 SER N N 39 112.531 112.531 114.316 -1.785 19249 1330 1 9 . 1 1 39 39 SER HA H 39 4.226 4.226 4.284 -0.058 19249 1331 1 9 . 1 1 39 39 SER H H 39 8.895 8.895 8.504 0.391 19249 1332 1 9 . 1 1 40 40 SER N N 40 118.995 118.995 118.365 0.630 19249 1333 1 9 . 1 1 40 40 SER HA H 40 4.481 4.481 4.258 0.223 19249 1334 1 9 . 1 1 40 40 SER H H 40 7.284 7.284 7.583 -0.299 19249 1335 1 9 . 1 1 41 41 VAL N N 41 121.729 121.729 122.831 -1.102 19249 1336 1 9 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.621 -0.210 19249 1337 1 9 . 1 1 41 41 VAL H H 41 7.717 7.717 7.898 -0.181 19249 1338 1 9 . 1 1 42 42 GLN N N 42 117.503 117.503 117.698 -0.195 19249 1339 1 9 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.087 -0.202 19249 1340 1 9 . 1 1 42 42 GLN H H 42 8.718 8.718 8.655 0.063 19249 1341 1 9 . 1 1 43 43 THR N N 43 115.265 115.265 117.770 -2.505 19249 1342 1 9 . 1 1 43 43 THR HA H 43 4.353 4.353 4.072 0.281 19249 1343 1 9 . 1 1 43 43 THR H H 43 7.819 7.819 7.959 -0.140 19249 1344 1 9 . 1 1 44 44 ILE N N 44 121.978 121.978 122.231 -0.253 19249 1345 1 9 . 1 1 44 44 ILE HA H 44 3.758 3.758 3.954 -0.196 19249 1346 1 9 . 1 1 44 44 ILE H H 44 7.761 7.761 8.220 -0.459 19249 1347 1 9 . 1 1 45 45 VAL N N 45 118.992 118.992 118.579 0.413 19249 1348 1 9 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.600 -0.101 19249 1349 1 9 . 1 1 45 45 VAL H H 45 8.447 8.447 8.364 0.083 19249 1350 1 9 . 1 1 46 46 ARG N N 46 119.492 119.492 120.887 -1.395 19249 1351 1 9 . 1 1 46 46 ARG HA H 46 4.014 4.014 4.107 -0.093 19249 1352 1 9 . 1 1 46 46 ARG H H 46 8.247 8.247 7.846 0.401 19249 1353 1 9 . 1 1 47 47 LYS N N 47 118.000 118.000 119.604 -1.604 19249 1354 1 9 . 1 1 47 47 LYS H H 47 7.878 7.878 7.919 -0.041 19249 1355 1 9 . 1 1 48 48 TYR N N 48 119.989 119.989 120.234 -0.245 19249 1356 1 9 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.035 0.400 19249 1357 1 9 . 1 1 48 48 TYR H H 48 7.942 7.942 8.533 -0.591 19249 1358 1 9 . 1 1 49 49 LYS N N 49 120.735 120.735 117.804 2.931 19249 1359 1 9 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.458 0.524 19249 1360 1 9 . 1 1 49 49 LYS H H 49 8.135 8.135 8.214 -0.079 19249 1361 1 9 . 1 1 50 50 HIS N N 50 118.000 118.000 119.811 -1.811 19249 1362 1 9 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.213 0.360 19249 1363 1 9 . 1 1 50 50 HIS H H 50 8.081 8.081 8.256 -0.175 19249 1364 1 9 . 1 1 51 51 HIS N N 51 119.870 119.870 118.035 1.835 19249 1365 1 9 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.289 0.325 19249 1366 1 9 . 1 1 51 51 HIS H H 51 8.361 8.361 8.407 -0.046 19249 1367 1 9 . 1 1 52 52 GLY N N 52 109.796 109.796 105.302 4.494 19249 1368 1 9 . 1 1 52 52 GLY H H 52 8.429 8.429 8.300 0.129 19249 1369 1 9 . 1 1 53 53 THR N N 53 113.525 113.525 117.033 -3.508 19249 1370 1 9 . 1 1 53 53 THR HA H 53 4.507 4.507 4.219 0.288 19249 1371 1 9 . 1 1 53 53 THR H H 53 8.151 8.151 7.538 0.613 19249 1372 1 9 . 1 1 54 54 THR N N 54 116.508 116.508 116.537 -0.029 19249 1373 1 9 . 1 1 54 54 THR HA H 54 4.395 4.395 4.273 0.122 19249 1374 1 9 . 1 1 54 54 THR H H 54 8.295 8.295 7.575 0.720 19249 1375 1 9 . 1 1 55 55 GLN N N 55 122.972 122.972 123.406 -0.434 19249 1376 1 9 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.008 0.354 19249 1377 1 9 . 1 1 55 55 GLN H H 55 8.472 8.472 8.393 0.079 19249 1378 1 10 . 1 1 2 2 SER N N 2 119.504 119.504 115.607 3.897 19249 1379 1 10 . 1 1 2 2 SER HA H 2 4.148 4.148 4.603 -0.455 19249 1380 1 10 . 1 1 2 2 SER H H 2 8.216 8.216 8.553 -0.337 19249 1381 1 10 . 1 1 3 3 MET N N 3 121.232 121.232 120.297 0.935 19249 1382 1 10 . 1 1 3 3 MET HA H 3 4.293 4.293 4.697 -0.404 19249 1383 1 10 . 1 1 3 3 MET H H 3 8.370 8.370 7.960 0.410 19249 1384 1 10 . 1 1 4 4 GLY N N 4 110.044 110.044 108.266 1.778 19249 1385 1 10 . 1 1 4 4 GLY H H 4 8.509 8.509 8.446 0.063 19249 1386 1 10 . 1 1 5 5 LYS N N 5 121.232 121.232 122.467 -1.235 19249 1387 1 10 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.298 0.104 19249 1388 1 10 . 1 1 5 5 LYS H H 5 8.301 8.301 8.161 0.140 19249 1389 1 10 . 1 1 6 6 SER N N 6 120.486 120.486 114.351 6.135 19249 1390 1 10 . 1 1 6 6 SER HA H 6 4.305 4.305 4.240 0.065 19249 1391 1 10 . 1 1 6 6 SER H H 6 8.215 8.215 8.011 0.203 19249 1392 1 10 . 1 1 7 7 LYS N N 7 123.967 123.967 121.717 2.250 19249 1393 1 10 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.514 -0.234 19249 1394 1 10 . 1 1 7 7 LYS H H 7 8.504 8.504 8.296 0.208 19249 1395 1 10 . 1 1 8 8 GLU N N 8 122.475 122.475 122.420 0.055 19249 1396 1 10 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.476 -0.153 19249 1397 1 10 . 1 1 8 8 GLU H H 8 8.386 8.386 8.530 -0.144 19249 1398 1 10 . 1 1 9 9 ILE N N 9 123.504 123.504 122.029 1.475 19249 1399 1 10 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.238 0.152 19249 1400 1 10 . 1 1 9 9 ILE H H 9 8.434 8.434 8.291 0.143 19249 1401 1 10 . 1 1 10 10 SER N N 10 117.254 117.254 120.545 -3.291 19249 1402 1 10 . 1 1 10 10 SER HA H 10 4.454 4.454 4.591 -0.137 19249 1403 1 10 . 1 1 10 10 SER H H 10 8.440 8.440 8.457 -0.017 19249 1404 1 10 . 1 1 11 11 GLN N N 11 121.678 121.678 122.986 -1.308 19249 1405 1 10 . 1 1 11 11 GLN HA H 11 4.441 4.441 4.133 0.308 19249 1406 1 10 . 1 1 11 11 GLN H H 11 9.073 9.073 8.871 0.202 19249 1407 1 10 . 1 1 12 12 ASP N N 12 118.249 118.249 119.790 -1.541 19249 1408 1 10 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.287 0.128 19249 1409 1 10 . 1 1 12 12 ASP H H 12 8.509 8.509 8.747 -0.238 19249 1410 1 10 . 1 1 13 13 LEU N N 13 122.227 122.227 120.693 1.534 19249 1411 1 10 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.107 0.072 19249 1412 1 10 . 1 1 13 13 LEU H H 13 7.739 7.739 7.511 0.228 19249 1413 1 10 . 1 1 14 14 ARG N N 14 119.492 119.492 119.277 0.215 19249 1414 1 10 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.954 -0.186 19249 1415 1 10 . 1 1 14 14 ARG H H 14 8.456 8.456 7.592 0.864 19249 1416 1 10 . 1 1 15 15 LYS N N 15 117.503 117.503 118.810 -1.307 19249 1417 1 10 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.001 -0.059 19249 1418 1 10 . 1 1 15 15 LYS H H 15 7.835 7.835 8.404 -0.569 19249 1419 1 10 . 1 1 16 16 LYS N N 16 118.746 118.746 120.766 -2.020 19249 1420 1 10 . 1 1 16 16 LYS HA H 16 4.139 4.139 3.984 0.155 19249 1421 1 10 . 1 1 16 16 LYS H H 16 7.642 7.642 7.904 -0.262 19249 1422 1 10 . 1 1 17 17 ILE N N 17 119.243 119.243 119.601 -0.358 19249 1423 1 10 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.701 -0.271 19249 1424 1 10 . 1 1 17 17 ILE H H 17 8.349 8.349 7.866 0.483 19249 1425 1 10 . 1 1 18 18 VAL N N 18 118.995 118.995 120.724 -1.729 19249 1426 1 10 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.438 -0.152 19249 1427 1 10 . 1 1 18 18 VAL H H 18 7.910 7.910 7.453 0.457 19249 1428 1 10 . 1 1 19 19 ASP N N 19 120.735 120.735 120.456 0.279 19249 1429 1 10 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.334 0.028 19249 1430 1 10 . 1 1 19 19 ASP H H 19 8.654 8.654 8.244 0.410 19249 1431 1 10 . 1 1 20 20 LEU N N 20 120.780 120.780 119.351 1.429 19249 1432 1 10 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.056 0.083 19249 1433 1 10 . 1 1 20 20 LEU H H 20 8.343 8.343 8.321 0.022 19249 1434 1 10 . 1 1 21 21 HIS N N 21 122.724 122.724 119.307 3.417 19249 1435 1 10 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.290 0.125 19249 1436 1 10 . 1 1 21 21 HIS H H 21 8.670 8.670 7.752 0.918 19249 1437 1 10 . 1 1 22 22 LYS N N 22 121.277 121.277 118.160 3.117 19249 1438 1 10 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.047 -0.210 19249 1439 1 10 . 1 1 22 22 LYS H H 22 9.097 9.097 7.917 1.180 19249 1440 1 10 . 1 1 23 23 SER N N 23 111.785 111.785 112.425 -0.640 19249 1441 1 10 . 1 1 23 23 SER HA H 23 4.507 4.507 4.363 0.144 19249 1442 1 10 . 1 1 23 23 SER H H 23 7.658 7.658 7.893 -0.235 19249 1443 1 10 . 1 1 24 24 GLY N N 24 108.056 108.056 109.531 -1.475 19249 1444 1 10 . 1 1 24 24 GLY H H 24 7.669 7.669 8.063 -0.394 19249 1445 1 10 . 1 1 25 25 SER N N 25 117.752 117.752 115.414 2.338 19249 1446 1 10 . 1 1 25 25 SER HA H 25 4.520 4.520 4.535 -0.015 19249 1447 1 10 . 1 1 25 25 SER H H 25 7.947 7.947 8.018 -0.071 19249 1448 1 10 . 1 1 26 26 SER N N 26 119.954 119.954 121.735 -1.781 19249 1449 1 10 . 1 1 26 26 SER H H 26 8.749 8.749 8.553 0.196 19249 1450 1 10 . 1 1 27 27 LEU N N 27 121.232 121.232 122.875 -1.643 19249 1451 1 10 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.108 0.432 19249 1452 1 10 . 1 1 27 27 LEU H H 27 8.761 8.761 7.982 0.779 19249 1453 1 10 . 1 1 28 28 GLY N N 28 105.556 105.556 106.796 -1.240 19249 1454 1 10 . 1 1 28 28 GLY H H 28 8.843 8.843 8.184 0.659 19249 1455 1 10 . 1 1 29 29 ALA N N 29 125.956 125.956 124.606 1.350 19249 1456 1 10 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.105 0.096 19249 1457 1 10 . 1 1 29 29 ALA H H 29 7.996 7.996 7.726 0.270 19249 1458 1 10 . 1 1 30 30 ILE N N 30 119.787 119.787 118.124 1.663 19249 1459 1 10 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.563 -0.096 19249 1460 1 10 . 1 1 30 30 ILE H H 30 8.439 8.439 7.857 0.582 19249 1461 1 10 . 1 1 31 31 SER N N 31 112.282 112.282 116.032 -3.750 19249 1462 1 10 . 1 1 31 31 SER HA H 31 4.271 4.271 4.207 0.064 19249 1463 1 10 . 1 1 31 31 SER H H 31 8.017 8.017 8.058 -0.041 19249 1464 1 10 . 1 1 32 32 LYS N N 32 118.497 118.497 120.219 -1.722 19249 1465 1 10 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.348 -0.196 19249 1466 1 10 . 1 1 32 32 LYS H H 32 8.022 8.022 7.519 0.503 19249 1467 1 10 . 1 1 33 33 ARG N N 33 118.746 118.746 117.905 0.841 19249 1468 1 10 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.229 -0.103 19249 1469 1 10 . 1 1 33 33 ARG H H 33 8.226 8.226 8.164 0.062 19249 1470 1 10 . 1 1 34 34 LEU N N 34 113.774 113.774 117.198 -3.424 19249 1471 1 10 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.572 -0.169 19249 1472 1 10 . 1 1 34 34 LEU H H 34 8.199 8.199 7.991 0.208 19249 1473 1 10 . 1 1 35 35 LYS N N 35 116.757 116.757 114.862 1.895 19249 1474 1 10 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.103 -0.107 19249 1475 1 10 . 1 1 35 35 LYS H H 35 7.776 7.776 7.681 0.095 19249 1476 1 10 . 1 1 36 36 VAL N N 36 115.514 115.514 121.421 -5.907 19249 1477 1 10 . 1 1 36 36 VAL H H 36 7.621 7.621 7.639 -0.018 19249 1478 1 10 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.691 -0.705 19249 1479 1 10 . 1 1 38 38 ARG N N 38 127.231 127.231 120.607 6.624 19249 1480 1 10 . 1 1 38 38 ARG HA H 38 4.425 4.425 4.040 0.385 19249 1481 1 10 . 1 1 38 38 ARG H H 38 9.180 9.180 8.752 0.428 19249 1482 1 10 . 1 1 39 39 SER N N 39 112.531 112.531 115.717 -3.186 19249 1483 1 10 . 1 1 39 39 SER HA H 39 4.226 4.226 4.246 -0.020 19249 1484 1 10 . 1 1 39 39 SER H H 39 8.895 8.895 8.615 0.280 19249 1485 1 10 . 1 1 40 40 SER N N 40 118.995 118.995 117.752 1.243 19249 1486 1 10 . 1 1 40 40 SER HA H 40 4.481 4.481 4.529 -0.048 19249 1487 1 10 . 1 1 40 40 SER H H 40 7.284 7.284 7.790 -0.506 19249 1488 1 10 . 1 1 41 41 VAL N N 41 121.729 121.729 123.888 -2.159 19249 1489 1 10 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.720 -0.308 19249 1490 1 10 . 1 1 41 41 VAL H H 41 7.717 7.717 7.649 0.068 19249 1491 1 10 . 1 1 42 42 GLN N N 42 117.503 117.503 117.926 -0.423 19249 1492 1 10 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.031 -0.146 19249 1493 1 10 . 1 1 42 42 GLN H H 42 8.718 8.718 8.607 0.111 19249 1494 1 10 . 1 1 43 43 THR N N 43 115.265 115.265 112.089 3.176 19249 1495 1 10 . 1 1 43 43 THR HA H 43 4.353 4.353 4.105 0.248 19249 1496 1 10 . 1 1 43 43 THR H H 43 7.819 7.819 7.638 0.181 19249 1497 1 10 . 1 1 44 44 ILE N N 44 121.978 121.978 122.696 -0.718 19249 1498 1 10 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.089 -0.331 19249 1499 1 10 . 1 1 44 44 ILE H H 44 7.761 7.761 7.478 0.283 19249 1500 1 10 . 1 1 45 45 VAL N N 45 118.992 118.992 117.123 1.869 19249 1501 1 10 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.228 0.271 19249 1502 1 10 . 1 1 45 45 VAL H H 45 8.447 8.447 8.452 -0.005 19249 1503 1 10 . 1 1 46 46 ARG N N 46 119.492 119.492 118.569 0.923 19249 1504 1 10 . 1 1 46 46 ARG HA H 46 4.014 4.014 4.002 0.012 19249 1505 1 10 . 1 1 46 46 ARG H H 46 8.247 8.247 7.602 0.645 19249 1506 1 10 . 1 1 47 47 LYS N N 47 118.000 118.000 120.957 -2.957 19249 1507 1 10 . 1 1 47 47 LYS H H 47 7.878 7.878 7.441 0.437 19249 1508 1 10 . 1 1 48 48 TYR N N 48 119.989 119.989 116.770 3.219 19249 1509 1 10 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.316 0.119 19249 1510 1 10 . 1 1 48 48 TYR H H 48 7.942 7.942 7.909 0.033 19249 1511 1 10 . 1 1 49 49 LYS N N 49 120.735 120.735 118.894 1.841 19249 1512 1 10 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.963 0.019 19249 1513 1 10 . 1 1 49 49 LYS H H 49 8.135 8.135 7.123 1.012 19249 1514 1 10 . 1 1 50 50 HIS N N 50 118.000 118.000 120.223 -2.223 19249 1515 1 10 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.266 0.307 19249 1516 1 10 . 1 1 50 50 HIS H H 50 8.081 8.081 7.564 0.517 19249 1517 1 10 . 1 1 51 51 HIS N N 51 119.870 119.870 118.568 1.302 19249 1518 1 10 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.258 0.356 19249 1519 1 10 . 1 1 51 51 HIS H H 51 8.361 8.361 8.653 -0.292 19249 1520 1 10 . 1 1 52 52 GLY N N 52 109.796 109.796 104.379 5.417 19249 1521 1 10 . 1 1 52 52 GLY H H 52 8.429 8.429 8.116 0.313 19249 1522 1 10 . 1 1 53 53 THR N N 53 113.525 113.525 112.178 1.347 19249 1523 1 10 . 1 1 53 53 THR HA H 53 4.507 4.507 4.034 0.473 19249 1524 1 10 . 1 1 53 53 THR H H 53 8.151 8.151 7.246 0.905 19249 1525 1 10 . 1 1 54 54 THR N N 54 116.508 116.508 114.094 2.414 19249 1526 1 10 . 1 1 54 54 THR HA H 54 4.395 4.395 4.176 0.219 19249 1527 1 10 . 1 1 54 54 THR H H 54 8.295 8.295 7.477 0.818 19249 1528 1 10 . 1 1 55 55 GLN N N 55 122.972 122.972 119.804 3.168 19249 1529 1 10 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.123 0.239 19249 1530 1 10 . 1 1 55 55 GLN H H 55 8.472 8.472 7.729 0.743 19249 1531 1 11 . 1 1 2 2 SER N N 2 119.504 119.504 114.856 4.648 19249 1532 1 11 . 1 1 2 2 SER HA H 2 4.148 4.148 4.581 -0.433 19249 1533 1 11 . 1 1 2 2 SER H H 2 8.216 8.216 8.295 -0.079 19249 1534 1 11 . 1 1 3 3 MET N N 3 121.232 121.232 121.707 -0.475 19249 1535 1 11 . 1 1 3 3 MET HA H 3 4.293 4.293 4.554 -0.261 19249 1536 1 11 . 1 1 3 3 MET H H 3 8.370 8.370 7.667 0.703 19249 1537 1 11 . 1 1 4 4 GLY N N 4 110.044 110.044 112.386 -2.342 19249 1538 1 11 . 1 1 4 4 GLY H H 4 8.509 8.509 8.595 -0.086 19249 1539 1 11 . 1 1 5 5 LYS N N 5 121.232 121.232 120.290 0.942 19249 1540 1 11 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.385 0.017 19249 1541 1 11 . 1 1 5 5 LYS H H 5 8.301 8.301 8.009 0.292 19249 1542 1 11 . 1 1 6 6 SER N N 6 120.486 120.486 116.780 3.706 19249 1543 1 11 . 1 1 6 6 SER HA H 6 4.305 4.305 4.345 -0.040 19249 1544 1 11 . 1 1 6 6 SER H H 6 8.215 8.215 8.452 -0.237 19249 1545 1 11 . 1 1 7 7 LYS N N 7 123.967 123.967 118.986 4.981 19249 1546 1 11 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.001 0.279 19249 1547 1 11 . 1 1 7 7 LYS H H 7 8.504 8.504 8.225 0.279 19249 1548 1 11 . 1 1 8 8 GLU N N 8 122.475 122.475 118.341 4.134 19249 1549 1 11 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.608 -0.285 19249 1550 1 11 . 1 1 8 8 GLU H H 8 8.386 8.386 8.095 0.291 19249 1551 1 11 . 1 1 9 9 ILE N N 9 123.504 123.504 123.168 0.336 19249 1552 1 11 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.084 0.306 19249 1553 1 11 . 1 1 9 9 ILE H H 9 8.434 8.434 8.396 0.038 19249 1554 1 11 . 1 1 10 10 SER N N 10 117.254 117.254 123.512 -6.258 19249 1555 1 11 . 1 1 10 10 SER HA H 10 4.454 4.454 4.446 0.009 19249 1556 1 11 . 1 1 10 10 SER H H 10 8.440 8.440 8.091 0.349 19249 1557 1 11 . 1 1 11 11 GLN N N 11 121.678 121.678 120.696 0.982 19249 1558 1 11 . 1 1 11 11 GLN HA H 11 4.441 4.441 4.053 0.388 19249 1559 1 11 . 1 1 11 11 GLN H H 11 9.073 9.073 8.979 0.094 19249 1560 1 11 . 1 1 12 12 ASP N N 12 118.249 118.249 119.772 -1.523 19249 1561 1 11 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.420 -0.005 19249 1562 1 11 . 1 1 12 12 ASP H H 12 8.509 8.509 8.514 -0.005 19249 1563 1 11 . 1 1 13 13 LEU N N 13 122.227 122.227 120.700 1.527 19249 1564 1 11 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.159 0.020 19249 1565 1 11 . 1 1 13 13 LEU H H 13 7.739 7.739 7.732 0.007 19249 1566 1 11 . 1 1 14 14 ARG N N 14 119.492 119.492 119.676 -0.184 19249 1567 1 11 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.907 -0.139 19249 1568 1 11 . 1 1 14 14 ARG H H 14 8.456 8.456 8.281 0.175 19249 1569 1 11 . 1 1 15 15 LYS N N 15 117.503 117.503 118.023 -0.520 19249 1570 1 11 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.002 -0.060 19249 1571 1 11 . 1 1 15 15 LYS H H 15 7.835 7.835 7.884 -0.049 19249 1572 1 11 . 1 1 16 16 LYS N N 16 118.746 118.746 120.808 -2.062 19249 1573 1 11 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.085 0.054 19249 1574 1 11 . 1 1 16 16 LYS H H 16 7.642 7.642 7.162 0.480 19249 1575 1 11 . 1 1 17 17 ILE N N 17 119.243 119.243 120.272 -1.029 19249 1576 1 11 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.720 -0.290 19249 1577 1 11 . 1 1 17 17 ILE H H 17 8.349 8.349 7.549 0.800 19249 1578 1 11 . 1 1 18 18 VAL N N 18 118.995 118.995 119.905 -0.910 19249 1579 1 11 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.382 -0.096 19249 1580 1 11 . 1 1 18 18 VAL H H 18 7.910 7.910 7.539 0.371 19249 1581 1 11 . 1 1 19 19 ASP N N 19 120.735 120.735 119.144 1.591 19249 1582 1 11 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.375 -0.013 19249 1583 1 11 . 1 1 19 19 ASP H H 19 8.654 8.654 8.156 0.498 19249 1584 1 11 . 1 1 20 20 LEU N N 20 120.780 120.780 118.804 1.976 19249 1585 1 11 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.123 0.016 19249 1586 1 11 . 1 1 20 20 LEU H H 20 8.343 8.343 7.862 0.481 19249 1587 1 11 . 1 1 21 21 HIS N N 21 122.724 122.724 117.782 4.942 19249 1588 1 11 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.303 0.112 19249 1589 1 11 . 1 1 21 21 HIS H H 21 8.670 8.670 7.830 0.840 19249 1590 1 11 . 1 1 22 22 LYS N N 22 121.277 121.277 118.352 2.925 19249 1591 1 11 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.280 -0.443 19249 1592 1 11 . 1 1 22 22 LYS H H 22 9.097 9.097 7.670 1.427 19249 1593 1 11 . 1 1 23 23 SER N N 23 111.785 111.785 113.830 -2.045 19249 1594 1 11 . 1 1 23 23 SER HA H 23 4.507 4.507 4.427 0.080 19249 1595 1 11 . 1 1 23 23 SER H H 23 7.658 7.658 7.601 0.057 19249 1596 1 11 . 1 1 24 24 GLY N N 24 108.056 108.056 109.927 -1.871 19249 1597 1 11 . 1 1 24 24 GLY H H 24 7.669 7.669 8.308 -0.639 19249 1598 1 11 . 1 1 25 25 SER N N 25 117.752 117.752 119.104 -1.352 19249 1599 1 11 . 1 1 25 25 SER HA H 25 4.520 4.520 4.327 0.193 19249 1600 1 11 . 1 1 25 25 SER H H 25 7.947 7.947 7.978 -0.031 19249 1601 1 11 . 1 1 26 26 SER N N 26 119.954 119.954 117.523 2.431 19249 1602 1 11 . 1 1 26 26 SER H H 26 8.749 8.749 8.370 0.379 19249 1603 1 11 . 1 1 27 27 LEU N N 27 121.232 121.232 123.430 -2.198 19249 1604 1 11 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.091 0.449 19249 1605 1 11 . 1 1 27 27 LEU H H 27 8.761 8.761 7.659 1.102 19249 1606 1 11 . 1 1 28 28 GLY N N 28 105.556 105.556 106.222 -0.666 19249 1607 1 11 . 1 1 28 28 GLY H H 28 8.843 8.843 7.817 1.026 19249 1608 1 11 . 1 1 29 29 ALA N N 29 125.956 125.956 124.943 1.013 19249 1609 1 11 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.187 0.014 19249 1610 1 11 . 1 1 29 29 ALA H H 29 7.996 7.996 7.239 0.757 19249 1611 1 11 . 1 1 30 30 ILE N N 30 119.787 119.787 118.456 1.331 19249 1612 1 11 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.592 -0.125 19249 1613 1 11 . 1 1 30 30 ILE H H 30 8.439 8.439 7.674 0.765 19249 1614 1 11 . 1 1 31 31 SER N N 31 112.282 112.282 114.977 -2.695 19249 1615 1 11 . 1 1 31 31 SER HA H 31 4.271 4.271 4.245 0.026 19249 1616 1 11 . 1 1 31 31 SER H H 31 8.017 8.017 8.090 -0.073 19249 1617 1 11 . 1 1 32 32 LYS N N 32 118.497 118.497 122.916 -4.419 19249 1618 1 11 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.163 -0.011 19249 1619 1 11 . 1 1 32 32 LYS H H 32 8.022 8.022 7.694 0.328 19249 1620 1 11 . 1 1 33 33 ARG N N 33 118.746 118.746 118.007 0.739 19249 1621 1 11 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.165 -0.039 19249 1622 1 11 . 1 1 33 33 ARG H H 33 8.226 8.226 8.175 0.051 19249 1623 1 11 . 1 1 34 34 LEU N N 34 113.774 113.774 118.399 -4.625 19249 1624 1 11 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.349 0.054 19249 1625 1 11 . 1 1 34 34 LEU H H 34 8.199 8.199 7.814 0.385 19249 1626 1 11 . 1 1 35 35 LYS N N 35 116.757 116.757 114.455 2.302 19249 1627 1 11 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.224 -0.229 19249 1628 1 11 . 1 1 35 35 LYS H H 35 7.776 7.776 7.787 -0.011 19249 1629 1 11 . 1 1 36 36 VAL N N 36 115.514 115.514 120.248 -4.734 19249 1630 1 11 . 1 1 36 36 VAL H H 36 7.621 7.621 7.714 -0.093 19249 1631 1 11 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.558 -0.572 19249 1632 1 11 . 1 1 38 38 ARG N N 38 127.231 127.231 126.362 0.869 19249 1633 1 11 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.849 0.576 19249 1634 1 11 . 1 1 38 38 ARG H H 38 9.180 9.180 8.082 1.098 19249 1635 1 11 . 1 1 39 39 SER N N 39 112.531 112.531 114.223 -1.692 19249 1636 1 11 . 1 1 39 39 SER HA H 39 4.226 4.226 4.266 -0.040 19249 1637 1 11 . 1 1 39 39 SER H H 39 8.895 8.895 8.739 0.156 19249 1638 1 11 . 1 1 40 40 SER N N 40 118.995 118.995 117.983 1.012 19249 1639 1 11 . 1 1 40 40 SER HA H 40 4.481 4.481 4.291 0.190 19249 1640 1 11 . 1 1 40 40 SER H H 40 7.284 7.284 7.605 -0.321 19249 1641 1 11 . 1 1 41 41 VAL N N 41 121.729 121.729 122.895 -1.166 19249 1642 1 11 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.810 -0.399 19249 1643 1 11 . 1 1 41 41 VAL H H 41 7.717 7.717 8.759 -1.042 19249 1644 1 11 . 1 1 42 42 GLN N N 42 117.503 117.503 119.395 -1.892 19249 1645 1 11 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.029 -0.144 19249 1646 1 11 . 1 1 42 42 GLN H H 42 8.718 8.718 8.429 0.289 19249 1647 1 11 . 1 1 43 43 THR N N 43 115.265 115.265 115.667 -0.402 19249 1648 1 11 . 1 1 43 43 THR HA H 43 4.353 4.353 4.056 0.297 19249 1649 1 11 . 1 1 43 43 THR H H 43 7.819 7.819 7.536 0.283 19249 1650 1 11 . 1 1 44 44 ILE N N 44 121.978 121.978 120.727 1.251 19249 1651 1 11 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.004 -0.246 19249 1652 1 11 . 1 1 44 44 ILE H H 44 7.761 7.761 7.492 0.269 19249 1653 1 11 . 1 1 45 45 VAL N N 45 118.992 118.992 118.118 0.874 19249 1654 1 11 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.251 0.248 19249 1655 1 11 . 1 1 45 45 VAL H H 45 8.447 8.447 8.586 -0.139 19249 1656 1 11 . 1 1 46 46 ARG N N 46 119.492 119.492 116.775 2.717 19249 1657 1 11 . 1 1 46 46 ARG HA H 46 4.014 4.014 4.016 -0.002 19249 1658 1 11 . 1 1 46 46 ARG H H 46 8.247 8.247 7.930 0.317 19249 1659 1 11 . 1 1 47 47 LYS N N 47 118.000 118.000 120.942 -2.942 19249 1660 1 11 . 1 1 47 47 LYS H H 47 7.878 7.878 7.749 0.129 19249 1661 1 11 . 1 1 48 48 TYR N N 48 119.989 119.989 117.614 2.375 19249 1662 1 11 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.527 -0.092 19249 1663 1 11 . 1 1 48 48 TYR H H 48 7.942 7.942 8.484 -0.542 19249 1664 1 11 . 1 1 49 49 LYS N N 49 120.735 120.735 119.487 1.248 19249 1665 1 11 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.881 0.101 19249 1666 1 11 . 1 1 49 49 LYS H H 49 8.135 8.135 7.329 0.806 19249 1667 1 11 . 1 1 50 50 HIS N N 50 118.000 118.000 120.108 -2.108 19249 1668 1 11 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.290 0.283 19249 1669 1 11 . 1 1 50 50 HIS H H 50 8.081 8.081 7.524 0.557 19249 1670 1 11 . 1 1 51 51 HIS N N 51 119.870 119.870 117.397 2.473 19249 1671 1 11 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.384 0.230 19249 1672 1 11 . 1 1 51 51 HIS H H 51 8.361 8.361 8.616 -0.255 19249 1673 1 11 . 1 1 52 52 GLY N N 52 109.796 109.796 105.419 4.377 19249 1674 1 11 . 1 1 52 52 GLY H H 52 8.429 8.429 8.250 0.179 19249 1675 1 11 . 1 1 53 53 THR N N 53 113.525 113.525 110.294 3.231 19249 1676 1 11 . 1 1 53 53 THR HA H 53 4.507 4.507 4.428 0.079 19249 1677 1 11 . 1 1 53 53 THR H H 53 8.151 8.151 7.486 0.665 19249 1678 1 11 . 1 1 54 54 THR N N 54 116.508 116.508 115.080 1.428 19249 1679 1 11 . 1 1 54 54 THR HA H 54 4.395 4.395 4.462 -0.067 19249 1680 1 11 . 1 1 54 54 THR H H 54 8.295 8.295 7.493 0.802 19249 1681 1 11 . 1 1 55 55 GLN N N 55 122.972 122.972 119.697 3.275 19249 1682 1 11 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.692 -0.330 19249 1683 1 11 . 1 1 55 55 GLN H H 55 8.472 8.472 8.213 0.259 19249 1684 1 12 . 1 1 2 2 SER N N 2 119.504 119.504 114.981 4.523 19249 1685 1 12 . 1 1 2 2 SER HA H 2 4.148 4.148 4.179 -0.031 19249 1686 1 12 . 1 1 2 2 SER H H 2 8.216 8.216 8.335 -0.119 19249 1687 1 12 . 1 1 3 3 MET N N 3 121.232 121.232 119.865 1.367 19249 1688 1 12 . 1 1 3 3 MET HA H 3 4.293 4.293 4.272 0.021 19249 1689 1 12 . 1 1 3 3 MET H H 3 8.370 8.370 8.427 -0.057 19249 1690 1 12 . 1 1 4 4 GLY N N 4 110.044 110.044 109.682 0.362 19249 1691 1 12 . 1 1 4 4 GLY H H 4 8.509 8.509 8.037 0.472 19249 1692 1 12 . 1 1 5 5 LYS N N 5 121.232 121.232 119.382 1.850 19249 1693 1 12 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.344 0.058 19249 1694 1 12 . 1 1 5 5 LYS H H 5 8.301 8.301 8.333 -0.032 19249 1695 1 12 . 1 1 6 6 SER N N 6 120.486 120.486 116.758 3.728 19249 1696 1 12 . 1 1 6 6 SER HA H 6 4.305 4.305 4.522 -0.217 19249 1697 1 12 . 1 1 6 6 SER H H 6 8.215 8.215 7.935 0.280 19249 1698 1 12 . 1 1 7 7 LYS N N 7 123.967 123.967 125.730 -1.763 19249 1699 1 12 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.600 -0.320 19249 1700 1 12 . 1 1 7 7 LYS H H 7 8.504 8.504 8.045 0.459 19249 1701 1 12 . 1 1 8 8 GLU N N 8 122.475 122.475 121.962 0.513 19249 1702 1 12 . 1 1 8 8 GLU HA H 8 4.323 4.323 3.942 0.381 19249 1703 1 12 . 1 1 8 8 GLU H H 8 8.386 8.386 8.794 -0.408 19249 1704 1 12 . 1 1 9 9 ILE N N 9 123.504 123.504 119.902 3.602 19249 1705 1 12 . 1 1 9 9 ILE HA H 9 4.390 4.390 3.743 0.647 19249 1706 1 12 . 1 1 9 9 ILE H H 9 8.434 8.434 8.119 0.315 19249 1707 1 12 . 1 1 10 10 SER N N 10 117.254 117.254 116.975 0.279 19249 1708 1 12 . 1 1 10 10 SER HA H 10 4.454 4.454 4.701 -0.247 19249 1709 1 12 . 1 1 10 10 SER H H 10 8.440 8.440 8.630 -0.190 19249 1710 1 12 . 1 1 11 11 GLN N N 11 121.678 121.678 125.913 -4.235 19249 1711 1 12 . 1 1 11 11 GLN HA H 11 4.441 4.441 3.922 0.519 19249 1712 1 12 . 1 1 11 11 GLN H H 11 9.073 9.073 9.107 -0.034 19249 1713 1 12 . 1 1 12 12 ASP N N 12 118.249 118.249 118.744 -0.495 19249 1714 1 12 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.389 0.026 19249 1715 1 12 . 1 1 12 12 ASP H H 12 8.509 8.509 8.810 -0.301 19249 1716 1 12 . 1 1 13 13 LEU N N 13 122.227 122.227 121.498 0.729 19249 1717 1 12 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.112 0.067 19249 1718 1 12 . 1 1 13 13 LEU H H 13 7.739 7.739 7.774 -0.035 19249 1719 1 12 . 1 1 14 14 ARG N N 14 119.492 119.492 119.176 0.316 19249 1720 1 12 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.925 -0.157 19249 1721 1 12 . 1 1 14 14 ARG H H 14 8.456 8.456 8.613 -0.157 19249 1722 1 12 . 1 1 15 15 LYS N N 15 117.503 117.503 118.459 -0.956 19249 1723 1 12 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.054 -0.112 19249 1724 1 12 . 1 1 15 15 LYS H H 15 7.835 7.835 8.184 -0.349 19249 1725 1 12 . 1 1 16 16 LYS N N 16 118.746 118.746 120.884 -2.138 19249 1726 1 12 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.104 0.035 19249 1727 1 12 . 1 1 16 16 LYS H H 16 7.642 7.642 7.660 -0.018 19249 1728 1 12 . 1 1 17 17 ILE N N 17 119.243 119.243 119.959 -0.716 19249 1729 1 12 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.651 -0.221 19249 1730 1 12 . 1 1 17 17 ILE H H 17 8.349 8.349 8.217 0.132 19249 1731 1 12 . 1 1 18 18 VAL N N 18 118.995 118.995 115.863 3.132 19249 1732 1 12 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.799 -0.513 19249 1733 1 12 . 1 1 18 18 VAL H H 18 7.910 7.910 7.603 0.307 19249 1734 1 12 . 1 1 19 19 ASP N N 19 120.735 120.735 120.150 0.585 19249 1735 1 12 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.451 -0.089 19249 1736 1 12 . 1 1 19 19 ASP H H 19 8.654 8.654 7.352 1.302 19249 1737 1 12 . 1 1 20 20 LEU N N 20 120.780 120.780 120.120 0.660 19249 1738 1 12 . 1 1 20 20 LEU HA H 20 4.139 4.139 3.970 0.169 19249 1739 1 12 . 1 1 20 20 LEU H H 20 8.343 8.343 8.324 0.019 19249 1740 1 12 . 1 1 21 21 HIS N N 21 122.724 122.724 118.049 4.675 19249 1741 1 12 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.310 0.105 19249 1742 1 12 . 1 1 21 21 HIS H H 21 8.670 8.670 8.156 0.514 19249 1743 1 12 . 1 1 22 22 LYS N N 22 121.277 121.277 118.685 2.592 19249 1744 1 12 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.214 -0.377 19249 1745 1 12 . 1 1 22 22 LYS H H 22 9.097 9.097 7.480 1.617 19249 1746 1 12 . 1 1 23 23 SER N N 23 111.785 111.785 113.683 -1.898 19249 1747 1 12 . 1 1 23 23 SER HA H 23 4.507 4.507 4.392 0.115 19249 1748 1 12 . 1 1 23 23 SER H H 23 7.658 7.658 7.651 0.007 19249 1749 1 12 . 1 1 24 24 GLY N N 24 108.056 108.056 109.511 -1.455 19249 1750 1 12 . 1 1 24 24 GLY H H 24 7.669 7.669 8.674 -1.005 19249 1751 1 12 . 1 1 25 25 SER N N 25 117.752 117.752 119.081 -1.329 19249 1752 1 12 . 1 1 25 25 SER HA H 25 4.520 4.520 4.227 0.293 19249 1753 1 12 . 1 1 25 25 SER H H 25 7.947 7.947 8.360 -0.413 19249 1754 1 12 . 1 1 26 26 SER N N 26 119.954 119.954 116.961 2.993 19249 1755 1 12 . 1 1 26 26 SER H H 26 8.749 8.749 8.359 0.390 19249 1756 1 12 . 1 1 27 27 LEU N N 27 121.232 121.232 122.969 -1.737 19249 1757 1 12 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.161 0.379 19249 1758 1 12 . 1 1 27 27 LEU H H 27 8.761 8.761 7.853 0.908 19249 1759 1 12 . 1 1 28 28 GLY N N 28 105.556 105.556 106.239 -0.683 19249 1760 1 12 . 1 1 28 28 GLY H H 28 8.843 8.843 7.765 1.078 19249 1761 1 12 . 1 1 29 29 ALA N N 29 125.956 125.956 125.206 0.750 19249 1762 1 12 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.120 0.081 19249 1763 1 12 . 1 1 29 29 ALA H H 29 7.996 7.996 7.447 0.549 19249 1764 1 12 . 1 1 30 30 ILE N N 30 119.787 119.787 115.068 4.719 19249 1765 1 12 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.706 -0.239 19249 1766 1 12 . 1 1 30 30 ILE H H 30 8.439 8.439 7.919 0.520 19249 1767 1 12 . 1 1 31 31 SER N N 31 112.282 112.282 117.268 -4.986 19249 1768 1 12 . 1 1 31 31 SER HA H 31 4.271 4.271 4.174 0.097 19249 1769 1 12 . 1 1 31 31 SER H H 31 8.017 8.017 8.436 -0.419 19249 1770 1 12 . 1 1 32 32 LYS N N 32 118.497 118.497 120.744 -2.247 19249 1771 1 12 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.139 0.013 19249 1772 1 12 . 1 1 32 32 LYS H H 32 8.022 8.022 7.616 0.406 19249 1773 1 12 . 1 1 33 33 ARG N N 33 118.746 118.746 119.561 -0.815 19249 1774 1 12 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.202 -0.076 19249 1775 1 12 . 1 1 33 33 ARG H H 33 8.226 8.226 7.873 0.353 19249 1776 1 12 . 1 1 34 34 LEU N N 34 113.774 113.774 113.315 0.459 19249 1777 1 12 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.573 -0.170 19249 1778 1 12 . 1 1 34 34 LEU H H 34 8.199 8.199 8.027 0.172 19249 1779 1 12 . 1 1 35 35 LYS N N 35 116.757 116.757 120.670 -3.913 19249 1780 1 12 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.163 -0.168 19249 1781 1 12 . 1 1 35 35 LYS H H 35 7.776 7.776 7.627 0.149 19249 1782 1 12 . 1 1 36 36 VAL N N 36 115.514 115.514 120.670 -5.156 19249 1783 1 12 . 1 1 36 36 VAL H H 36 7.621 7.621 8.153 -0.532 19249 1784 1 12 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.665 -0.679 19249 1785 1 12 . 1 1 38 38 ARG N N 38 127.231 127.231 126.161 1.070 19249 1786 1 12 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.985 0.440 19249 1787 1 12 . 1 1 38 38 ARG H H 38 9.180 9.180 8.856 0.324 19249 1788 1 12 . 1 1 39 39 SER N N 39 112.531 112.531 112.672 -0.141 19249 1789 1 12 . 1 1 39 39 SER HA H 39 4.226 4.226 4.202 0.024 19249 1790 1 12 . 1 1 39 39 SER H H 39 8.895 8.895 8.833 0.062 19249 1791 1 12 . 1 1 40 40 SER N N 40 118.995 118.995 118.816 0.179 19249 1792 1 12 . 1 1 40 40 SER HA H 40 4.481 4.481 4.386 0.095 19249 1793 1 12 . 1 1 40 40 SER H H 40 7.284 7.284 7.399 -0.115 19249 1794 1 12 . 1 1 41 41 VAL N N 41 121.729 121.729 122.993 -1.264 19249 1795 1 12 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.755 -0.344 19249 1796 1 12 . 1 1 41 41 VAL H H 41 7.717 7.717 8.688 -0.971 19249 1797 1 12 . 1 1 42 42 GLN N N 42 117.503 117.503 116.895 0.608 19249 1798 1 12 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.132 -0.247 19249 1799 1 12 . 1 1 42 42 GLN H H 42 8.718 8.718 8.251 0.467 19249 1800 1 12 . 1 1 43 43 THR N N 43 115.265 115.265 113.353 1.912 19249 1801 1 12 . 1 1 43 43 THR HA H 43 4.353 4.353 4.176 0.177 19249 1802 1 12 . 1 1 43 43 THR H H 43 7.819 7.819 7.495 0.324 19249 1803 1 12 . 1 1 44 44 ILE N N 44 121.978 121.978 120.582 1.396 19249 1804 1 12 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.047 -0.289 19249 1805 1 12 . 1 1 44 44 ILE H H 44 7.761 7.761 7.974 -0.213 19249 1806 1 12 . 1 1 45 45 VAL N N 45 118.992 118.992 118.222 0.770 19249 1807 1 12 . 1 1 45 45 VAL HA H 45 3.499 3.499 4.173 -0.674 19249 1808 1 12 . 1 1 45 45 VAL H H 45 8.447 8.447 8.255 0.192 19249 1809 1 12 . 1 1 46 46 ARG N N 46 119.492 119.492 119.452 0.040 19249 1810 1 12 . 1 1 46 46 ARG HA H 46 4.014 4.014 4.098 -0.084 19249 1811 1 12 . 1 1 46 46 ARG H H 46 8.247 8.247 7.473 0.774 19249 1812 1 12 . 1 1 47 47 LYS N N 47 118.000 118.000 121.332 -3.332 19249 1813 1 12 . 1 1 47 47 LYS H H 47 7.878 7.878 7.999 -0.121 19249 1814 1 12 . 1 1 48 48 TYR N N 48 119.989 119.989 115.978 4.011 19249 1815 1 12 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.437 -0.002 19249 1816 1 12 . 1 1 48 48 TYR H H 48 7.942 7.942 8.554 -0.612 19249 1817 1 12 . 1 1 49 49 LYS N N 49 120.735 120.735 117.935 2.800 19249 1818 1 12 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.741 0.241 19249 1819 1 12 . 1 1 49 49 LYS H H 49 8.135 8.135 7.248 0.887 19249 1820 1 12 . 1 1 50 50 HIS N N 50 118.000 118.000 118.328 -0.328 19249 1821 1 12 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.318 0.255 19249 1822 1 12 . 1 1 50 50 HIS H H 50 8.081 8.081 7.986 0.095 19249 1823 1 12 . 1 1 51 51 HIS N N 51 119.870 119.870 118.458 1.412 19249 1824 1 12 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.619 -0.005 19249 1825 1 12 . 1 1 51 51 HIS H H 51 8.361 8.361 8.319 0.042 19249 1826 1 12 . 1 1 52 52 GLY N N 52 109.796 109.796 107.567 2.229 19249 1827 1 12 . 1 1 52 52 GLY H H 52 8.429 8.429 7.876 0.553 19249 1828 1 12 . 1 1 53 53 THR N N 53 113.525 113.525 114.451 -0.926 19249 1829 1 12 . 1 1 53 53 THR HA H 53 4.507 4.507 4.214 0.293 19249 1830 1 12 . 1 1 53 53 THR H H 53 8.151 8.151 7.655 0.496 19249 1831 1 12 . 1 1 54 54 THR N N 54 116.508 116.508 111.517 4.991 19249 1832 1 12 . 1 1 54 54 THR HA H 54 4.395 4.395 4.352 0.043 19249 1833 1 12 . 1 1 54 54 THR H H 54 8.295 8.295 7.351 0.944 19249 1834 1 12 . 1 1 55 55 GLN N N 55 122.972 122.972 121.710 1.262 19249 1835 1 12 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.274 0.088 19249 1836 1 12 . 1 1 55 55 GLN H H 55 8.472 8.472 7.332 1.140 19249 1837 1 13 . 1 1 2 2 SER N N 2 119.504 119.504 119.202 0.302 19249 1838 1 13 . 1 1 2 2 SER HA H 2 4.148 4.148 4.753 -0.605 19249 1839 1 13 . 1 1 2 2 SER H H 2 8.216 8.216 8.446 -0.230 19249 1840 1 13 . 1 1 3 3 MET N N 3 121.232 121.232 120.876 0.356 19249 1841 1 13 . 1 1 3 3 MET HA H 3 4.293 4.293 4.505 -0.212 19249 1842 1 13 . 1 1 3 3 MET H H 3 8.370 8.370 8.611 -0.241 19249 1843 1 13 . 1 1 4 4 GLY N N 4 110.044 110.044 108.634 1.410 19249 1844 1 13 . 1 1 4 4 GLY H H 4 8.509 8.509 7.754 0.755 19249 1845 1 13 . 1 1 5 5 LYS N N 5 121.232 121.232 119.643 1.589 19249 1846 1 13 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.693 -0.291 19249 1847 1 13 . 1 1 5 5 LYS H H 5 8.301 8.301 7.959 0.342 19249 1848 1 13 . 1 1 6 6 SER N N 6 120.486 120.486 116.058 4.428 19249 1849 1 13 . 1 1 6 6 SER HA H 6 4.305 4.305 4.350 -0.045 19249 1850 1 13 . 1 1 6 6 SER H H 6 8.215 8.215 8.432 -0.217 19249 1851 1 13 . 1 1 7 7 LYS N N 7 123.967 123.967 121.317 2.650 19249 1852 1 13 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.513 -0.233 19249 1853 1 13 . 1 1 7 7 LYS H H 7 8.504 8.504 7.580 0.924 19249 1854 1 13 . 1 1 8 8 GLU N N 8 122.475 122.475 124.054 -1.579 19249 1855 1 13 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.345 -0.022 19249 1856 1 13 . 1 1 8 8 GLU H H 8 8.386 8.386 8.686 -0.300 19249 1857 1 13 . 1 1 9 9 ILE N N 9 123.504 123.504 119.807 3.697 19249 1858 1 13 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.411 -0.021 19249 1859 1 13 . 1 1 9 9 ILE H H 9 8.434 8.434 7.879 0.555 19249 1860 1 13 . 1 1 10 10 SER N N 10 117.254 117.254 122.492 -5.238 19249 1861 1 13 . 1 1 10 10 SER HA H 10 4.454 4.454 4.456 -0.002 19249 1862 1 13 . 1 1 10 10 SER H H 10 8.440 8.440 9.001 -0.561 19249 1863 1 13 . 1 1 11 11 GLN N N 11 121.678 121.678 121.209 0.469 19249 1864 1 13 . 1 1 11 11 GLN HA H 11 4.441 4.441 4.031 0.410 19249 1865 1 13 . 1 1 11 11 GLN H H 11 9.073 9.073 8.414 0.659 19249 1866 1 13 . 1 1 12 12 ASP N N 12 118.249 118.249 119.463 -1.214 19249 1867 1 13 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.373 0.042 19249 1868 1 13 . 1 1 12 12 ASP H H 12 8.509 8.509 8.097 0.412 19249 1869 1 13 . 1 1 13 13 LEU N N 13 122.227 122.227 120.282 1.945 19249 1870 1 13 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.141 0.038 19249 1871 1 13 . 1 1 13 13 LEU H H 13 7.739 7.739 7.611 0.128 19249 1872 1 13 . 1 1 14 14 ARG N N 14 119.492 119.492 119.728 -0.236 19249 1873 1 13 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.964 -0.196 19249 1874 1 13 . 1 1 14 14 ARG H H 14 8.456 8.456 8.637 -0.181 19249 1875 1 13 . 1 1 15 15 LYS N N 15 117.503 117.503 118.147 -0.644 19249 1876 1 13 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.010 -0.068 19249 1877 1 13 . 1 1 15 15 LYS H H 15 7.835 7.835 8.209 -0.374 19249 1878 1 13 . 1 1 16 16 LYS N N 16 118.746 118.746 120.856 -2.110 19249 1879 1 13 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.104 0.035 19249 1880 1 13 . 1 1 16 16 LYS H H 16 7.642 7.642 7.474 0.168 19249 1881 1 13 . 1 1 17 17 ILE N N 17 119.243 119.243 120.577 -1.334 19249 1882 1 13 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.757 -0.327 19249 1883 1 13 . 1 1 17 17 ILE H H 17 8.349 8.349 8.337 0.012 19249 1884 1 13 . 1 1 18 18 VAL N N 18 118.995 118.995 118.721 0.274 19249 1885 1 13 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.528 -0.242 19249 1886 1 13 . 1 1 18 18 VAL H H 18 7.910 7.910 7.500 0.410 19249 1887 1 13 . 1 1 19 19 ASP N N 19 120.735 120.735 120.445 0.290 19249 1888 1 13 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.357 0.005 19249 1889 1 13 . 1 1 19 19 ASP H H 19 8.654 8.654 7.558 1.096 19249 1890 1 13 . 1 1 20 20 LEU N N 20 120.780 120.780 119.056 1.724 19249 1891 1 13 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.026 0.113 19249 1892 1 13 . 1 1 20 20 LEU H H 20 8.343 8.343 8.373 -0.030 19249 1893 1 13 . 1 1 21 21 HIS N N 21 122.724 122.724 117.839 4.885 19249 1894 1 13 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.413 0.002 19249 1895 1 13 . 1 1 21 21 HIS H H 21 8.670 8.670 7.622 1.048 19249 1896 1 13 . 1 1 22 22 LYS N N 22 121.277 121.277 117.141 4.136 19249 1897 1 13 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.355 -0.518 19249 1898 1 13 . 1 1 22 22 LYS H H 22 9.097 9.097 7.523 1.574 19249 1899 1 13 . 1 1 23 23 SER N N 23 111.785 111.785 113.694 -1.909 19249 1900 1 13 . 1 1 23 23 SER HA H 23 4.507 4.507 4.439 0.068 19249 1901 1 13 . 1 1 23 23 SER H H 23 7.658 7.658 7.492 0.166 19249 1902 1 13 . 1 1 24 24 GLY N N 24 108.056 108.056 109.227 -1.171 19249 1903 1 13 . 1 1 24 24 GLY H H 24 7.669 7.669 8.664 -0.995 19249 1904 1 13 . 1 1 25 25 SER N N 25 117.752 117.752 118.951 -1.199 19249 1905 1 13 . 1 1 25 25 SER HA H 25 4.520 4.520 4.405 0.115 19249 1906 1 13 . 1 1 25 25 SER H H 25 7.947 7.947 8.151 -0.204 19249 1907 1 13 . 1 1 26 26 SER N N 26 119.954 119.954 116.300 3.654 19249 1908 1 13 . 1 1 26 26 SER H H 26 8.749 8.749 7.864 0.885 19249 1909 1 13 . 1 1 27 27 LEU N N 27 121.232 121.232 123.185 -1.953 19249 1910 1 13 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.112 0.428 19249 1911 1 13 . 1 1 27 27 LEU H H 27 8.761 8.761 7.615 1.146 19249 1912 1 13 . 1 1 28 28 GLY N N 28 105.556 105.556 106.625 -1.069 19249 1913 1 13 . 1 1 28 28 GLY H H 28 8.843 8.843 8.573 0.270 19249 1914 1 13 . 1 1 29 29 ALA N N 29 125.956 125.956 124.385 1.571 19249 1915 1 13 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.019 0.182 19249 1916 1 13 . 1 1 29 29 ALA H H 29 7.996 7.996 7.953 0.043 19249 1917 1 13 . 1 1 30 30 ILE N N 30 119.787 119.787 114.597 5.190 19249 1918 1 13 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.701 -0.234 19249 1919 1 13 . 1 1 30 30 ILE H H 30 8.439 8.439 7.477 0.962 19249 1920 1 13 . 1 1 31 31 SER N N 31 112.282 112.282 117.594 -5.312 19249 1921 1 13 . 1 1 31 31 SER HA H 31 4.271 4.271 4.111 0.160 19249 1922 1 13 . 1 1 31 31 SER H H 31 8.017 8.017 8.199 -0.182 19249 1923 1 13 . 1 1 32 32 LYS N N 32 118.497 118.497 121.295 -2.798 19249 1924 1 13 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.241 -0.089 19249 1925 1 13 . 1 1 32 32 LYS H H 32 8.022 8.022 7.856 0.166 19249 1926 1 13 . 1 1 33 33 ARG N N 33 118.746 118.746 119.529 -0.783 19249 1927 1 13 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.136 -0.010 19249 1928 1 13 . 1 1 33 33 ARG H H 33 8.226 8.226 8.033 0.193 19249 1929 1 13 . 1 1 34 34 LEU N N 34 113.774 113.774 116.471 -2.697 19249 1930 1 13 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.336 0.067 19249 1931 1 13 . 1 1 34 34 LEU H H 34 8.199 8.199 7.813 0.386 19249 1932 1 13 . 1 1 35 35 LYS N N 35 116.757 116.757 119.176 -2.419 19249 1933 1 13 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.162 -0.167 19249 1934 1 13 . 1 1 35 35 LYS H H 35 7.776 7.776 7.652 0.124 19249 1935 1 13 . 1 1 36 36 VAL N N 36 115.514 115.514 124.703 -9.189 19249 1936 1 13 . 1 1 36 36 VAL H H 36 7.621 7.621 7.620 0.001 19249 1937 1 13 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.510 -0.524 19249 1938 1 13 . 1 1 38 38 ARG N N 38 127.231 127.231 125.229 2.002 19249 1939 1 13 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.968 0.457 19249 1940 1 13 . 1 1 38 38 ARG H H 38 9.180 9.180 8.838 0.342 19249 1941 1 13 . 1 1 39 39 SER N N 39 112.531 112.531 116.141 -3.610 19249 1942 1 13 . 1 1 39 39 SER HA H 39 4.226 4.226 4.262 -0.036 19249 1943 1 13 . 1 1 39 39 SER H H 39 8.895 8.895 8.579 0.316 19249 1944 1 13 . 1 1 40 40 SER N N 40 118.995 118.995 117.721 1.274 19249 1945 1 13 . 1 1 40 40 SER HA H 40 4.481 4.481 4.314 0.167 19249 1946 1 13 . 1 1 40 40 SER H H 40 7.284 7.284 7.716 -0.432 19249 1947 1 13 . 1 1 41 41 VAL N N 41 121.729 121.729 122.782 -1.053 19249 1948 1 13 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.717 -0.306 19249 1949 1 13 . 1 1 41 41 VAL H H 41 7.717 7.717 8.078 -0.361 19249 1950 1 13 . 1 1 42 42 GLN N N 42 117.503 117.503 119.102 -1.599 19249 1951 1 13 . 1 1 42 42 GLN HA H 42 3.885 3.885 3.938 -0.053 19249 1952 1 13 . 1 1 42 42 GLN H H 42 8.718 8.718 8.718 0.000 19249 1953 1 13 . 1 1 43 43 THR N N 43 115.265 115.265 116.083 -0.818 19249 1954 1 13 . 1 1 43 43 THR HA H 43 4.353 4.353 4.016 0.337 19249 1955 1 13 . 1 1 43 43 THR H H 43 7.819 7.819 7.549 0.270 19249 1956 1 13 . 1 1 44 44 ILE N N 44 121.978 121.978 119.139 2.839 19249 1957 1 13 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.128 -0.370 19249 1958 1 13 . 1 1 44 44 ILE H H 44 7.761 7.761 7.543 0.218 19249 1959 1 13 . 1 1 45 45 VAL N N 45 118.992 118.992 118.722 0.270 19249 1960 1 13 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.210 0.289 19249 1961 1 13 . 1 1 45 45 VAL H H 45 8.447 8.447 8.435 0.012 19249 1962 1 13 . 1 1 46 46 ARG N N 46 119.492 119.492 119.741 -0.249 19249 1963 1 13 . 1 1 46 46 ARG HA H 46 4.014 4.014 3.857 0.157 19249 1964 1 13 . 1 1 46 46 ARG H H 46 8.247 8.247 7.909 0.338 19249 1965 1 13 . 1 1 47 47 LYS N N 47 118.000 118.000 119.509 -1.509 19249 1966 1 13 . 1 1 47 47 LYS H H 47 7.878 7.878 7.417 0.461 19249 1967 1 13 . 1 1 48 48 TYR N N 48 119.989 119.989 117.056 2.933 19249 1968 1 13 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.440 -0.005 19249 1969 1 13 . 1 1 48 48 TYR H H 48 7.942 7.942 8.109 -0.167 19249 1970 1 13 . 1 1 49 49 LYS N N 49 120.735 120.735 119.809 0.926 19249 1971 1 13 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.897 0.085 19249 1972 1 13 . 1 1 49 49 LYS H H 49 8.135 8.135 7.752 0.383 19249 1973 1 13 . 1 1 50 50 HIS N N 50 118.000 118.000 120.533 -2.533 19249 1974 1 13 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.297 0.276 19249 1975 1 13 . 1 1 50 50 HIS H H 50 8.081 8.081 7.702 0.379 19249 1976 1 13 . 1 1 51 51 HIS N N 51 119.870 119.870 117.524 2.346 19249 1977 1 13 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.457 0.157 19249 1978 1 13 . 1 1 51 51 HIS H H 51 8.361 8.361 7.679 0.682 19249 1979 1 13 . 1 1 52 52 GLY N N 52 109.796 109.796 104.956 4.840 19249 1980 1 13 . 1 1 52 52 GLY H H 52 8.429 8.429 8.381 0.048 19249 1981 1 13 . 1 1 53 53 THR N N 53 113.525 113.525 115.593 -2.068 19249 1982 1 13 . 1 1 53 53 THR HA H 53 4.507 4.507 4.211 0.296 19249 1983 1 13 . 1 1 53 53 THR H H 53 8.151 8.151 7.282 0.869 19249 1984 1 13 . 1 1 54 54 THR N N 54 116.508 116.508 113.561 2.947 19249 1985 1 13 . 1 1 54 54 THR HA H 54 4.395 4.395 4.655 -0.260 19249 1986 1 13 . 1 1 54 54 THR H H 54 8.295 8.295 7.844 0.451 19249 1987 1 13 . 1 1 55 55 GLN N N 55 122.972 122.972 121.115 1.857 19249 1988 1 13 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.010 0.352 19249 1989 1 13 . 1 1 55 55 GLN H H 55 8.472 8.472 8.028 0.444 19249 1990 1 14 . 1 1 2 2 SER N N 2 119.504 119.504 116.199 3.305 19249 1991 1 14 . 1 1 2 2 SER HA H 2 4.148 4.148 4.465 -0.318 19249 1992 1 14 . 1 1 2 2 SER H H 2 8.216 8.216 8.514 -0.298 19249 1993 1 14 . 1 1 3 3 MET N N 3 121.232 121.232 117.151 4.081 19249 1994 1 14 . 1 1 3 3 MET HA H 3 4.293 4.293 4.073 0.220 19249 1995 1 14 . 1 1 3 3 MET H H 3 8.370 8.370 8.284 0.086 19249 1996 1 14 . 1 1 4 4 GLY N N 4 110.044 110.044 107.533 2.511 19249 1997 1 14 . 1 1 4 4 GLY H H 4 8.509 8.509 8.115 0.394 19249 1998 1 14 . 1 1 5 5 LYS N N 5 121.232 121.232 122.213 -0.981 19249 1999 1 14 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.484 -0.082 19249 2000 1 14 . 1 1 5 5 LYS H H 5 8.301 8.301 8.395 -0.094 19249 2001 1 14 . 1 1 6 6 SER N N 6 120.486 120.486 118.390 2.096 19249 2002 1 14 . 1 1 6 6 SER HA H 6 4.305 4.305 4.185 0.120 19249 2003 1 14 . 1 1 6 6 SER H H 6 8.215 8.215 8.880 -0.665 19249 2004 1 14 . 1 1 7 7 LYS N N 7 123.967 123.967 120.284 3.683 19249 2005 1 14 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.323 -0.043 19249 2006 1 14 . 1 1 7 7 LYS H H 7 8.504 8.504 8.259 0.245 19249 2007 1 14 . 1 1 8 8 GLU N N 8 122.475 122.475 117.895 4.580 19249 2008 1 14 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.326 -0.003 19249 2009 1 14 . 1 1 8 8 GLU H H 8 8.386 8.386 8.467 -0.081 19249 2010 1 14 . 1 1 9 9 ILE N N 9 123.504 123.504 121.253 2.251 19249 2011 1 14 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.268 0.122 19249 2012 1 14 . 1 1 9 9 ILE H H 9 8.434 8.434 8.194 0.240 19249 2013 1 14 . 1 1 10 10 SER N N 10 117.254 117.254 121.426 -4.172 19249 2014 1 14 . 1 1 10 10 SER HA H 10 4.454 4.454 4.696 -0.242 19249 2015 1 14 . 1 1 10 10 SER H H 10 8.440 8.440 8.150 0.290 19249 2016 1 14 . 1 1 11 11 GLN N N 11 121.678 121.678 122.241 -0.563 19249 2017 1 14 . 1 1 11 11 GLN HA H 11 4.441 4.441 3.976 0.465 19249 2018 1 14 . 1 1 11 11 GLN H H 11 9.073 9.073 8.962 0.111 19249 2019 1 14 . 1 1 12 12 ASP N N 12 118.249 118.249 119.755 -1.506 19249 2020 1 14 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.356 0.059 19249 2021 1 14 . 1 1 12 12 ASP H H 12 8.509 8.509 8.149 0.360 19249 2022 1 14 . 1 1 13 13 LEU N N 13 122.227 122.227 121.339 0.888 19249 2023 1 14 . 1 1 13 13 LEU HA H 13 4.179 4.179 3.953 0.226 19249 2024 1 14 . 1 1 13 13 LEU H H 13 7.739 7.739 7.707 0.032 19249 2025 1 14 . 1 1 14 14 ARG N N 14 119.492 119.492 118.291 1.201 19249 2026 1 14 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.885 -0.117 19249 2027 1 14 . 1 1 14 14 ARG H H 14 8.456 8.456 8.317 0.139 19249 2028 1 14 . 1 1 15 15 LYS N N 15 117.503 117.503 119.386 -1.883 19249 2029 1 14 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.006 -0.064 19249 2030 1 14 . 1 1 15 15 LYS H H 15 7.835 7.835 7.595 0.240 19249 2031 1 14 . 1 1 16 16 LYS N N 16 118.746 118.746 119.381 -0.635 19249 2032 1 14 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.083 0.056 19249 2033 1 14 . 1 1 16 16 LYS H H 16 7.642 7.642 8.366 -0.724 19249 2034 1 14 . 1 1 17 17 ILE N N 17 119.243 119.243 120.324 -1.081 19249 2035 1 14 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.798 -0.368 19249 2036 1 14 . 1 1 17 17 ILE H H 17 8.349 8.349 8.395 -0.046 19249 2037 1 14 . 1 1 18 18 VAL N N 18 118.995 118.995 119.136 -0.141 19249 2038 1 14 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.297 -0.011 19249 2039 1 14 . 1 1 18 18 VAL H H 18 7.910 7.910 7.415 0.495 19249 2040 1 14 . 1 1 19 19 ASP N N 19 120.735 120.735 120.483 0.252 19249 2041 1 14 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.323 0.039 19249 2042 1 14 . 1 1 19 19 ASP H H 19 8.654 8.654 7.528 1.126 19249 2043 1 14 . 1 1 20 20 LEU N N 20 120.780 120.780 120.370 0.410 19249 2044 1 14 . 1 1 20 20 LEU HA H 20 4.139 4.139 3.920 0.219 19249 2045 1 14 . 1 1 20 20 LEU H H 20 8.343 8.343 8.535 -0.192 19249 2046 1 14 . 1 1 21 21 HIS N N 21 122.724 122.724 117.778 4.946 19249 2047 1 14 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.393 0.022 19249 2048 1 14 . 1 1 21 21 HIS H H 21 8.670 8.670 7.776 0.894 19249 2049 1 14 . 1 1 22 22 LYS N N 22 121.277 121.277 117.507 3.770 19249 2050 1 14 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.269 -0.432 19249 2051 1 14 . 1 1 22 22 LYS H H 22 9.097 9.097 7.668 1.429 19249 2052 1 14 . 1 1 23 23 SER N N 23 111.785 111.785 113.750 -1.965 19249 2053 1 14 . 1 1 23 23 SER HA H 23 4.507 4.507 4.527 -0.020 19249 2054 1 14 . 1 1 23 23 SER H H 23 7.658 7.658 7.441 0.217 19249 2055 1 14 . 1 1 24 24 GLY N N 24 108.056 108.056 110.322 -2.266 19249 2056 1 14 . 1 1 24 24 GLY H H 24 7.669 7.669 8.666 -0.997 19249 2057 1 14 . 1 1 25 25 SER N N 25 117.752 117.752 119.481 -1.729 19249 2058 1 14 . 1 1 25 25 SER HA H 25 4.520 4.520 4.308 0.212 19249 2059 1 14 . 1 1 25 25 SER H H 25 7.947 7.947 8.074 -0.127 19249 2060 1 14 . 1 1 26 26 SER N N 26 119.954 119.954 117.477 2.477 19249 2061 1 14 . 1 1 26 26 SER H H 26 8.749 8.749 8.204 0.545 19249 2062 1 14 . 1 1 27 27 LEU N N 27 121.232 121.232 123.236 -2.004 19249 2063 1 14 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.083 0.457 19249 2064 1 14 . 1 1 27 27 LEU H H 27 8.761 8.761 7.592 1.169 19249 2065 1 14 . 1 1 28 28 GLY N N 28 105.556 105.556 106.064 -0.508 19249 2066 1 14 . 1 1 28 28 GLY H H 28 8.843 8.843 8.094 0.749 19249 2067 1 14 . 1 1 29 29 ALA N N 29 125.956 125.956 124.295 1.661 19249 2068 1 14 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.039 0.162 19249 2069 1 14 . 1 1 29 29 ALA H H 29 7.996 7.996 7.807 0.189 19249 2070 1 14 . 1 1 30 30 ILE N N 30 119.787 119.787 114.938 4.849 19249 2071 1 14 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.610 -0.143 19249 2072 1 14 . 1 1 30 30 ILE H H 30 8.439 8.439 7.500 0.939 19249 2073 1 14 . 1 1 31 31 SER N N 31 112.282 112.282 116.498 -4.216 19249 2074 1 14 . 1 1 31 31 SER HA H 31 4.271 4.271 4.122 0.149 19249 2075 1 14 . 1 1 31 31 SER H H 31 8.017 8.017 8.308 -0.291 19249 2076 1 14 . 1 1 32 32 LYS N N 32 118.497 118.497 119.798 -1.301 19249 2077 1 14 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.173 -0.021 19249 2078 1 14 . 1 1 32 32 LYS H H 32 8.022 8.022 7.737 0.285 19249 2079 1 14 . 1 1 33 33 ARG N N 33 118.746 118.746 118.595 0.151 19249 2080 1 14 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.294 -0.168 19249 2081 1 14 . 1 1 33 33 ARG H H 33 8.226 8.226 8.322 -0.096 19249 2082 1 14 . 1 1 34 34 LEU N N 34 113.774 113.774 121.405 -7.631 19249 2083 1 14 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.372 0.031 19249 2084 1 14 . 1 1 34 34 LEU H H 34 8.199 8.199 7.943 0.256 19249 2085 1 14 . 1 1 35 35 LYS N N 35 116.757 116.757 117.575 -0.818 19249 2086 1 14 . 1 1 35 35 LYS HA H 35 3.995 3.995 3.975 0.020 19249 2087 1 14 . 1 1 35 35 LYS H H 35 7.776 7.776 7.891 -0.115 19249 2088 1 14 . 1 1 36 36 VAL N N 36 115.514 115.514 121.607 -6.093 19249 2089 1 14 . 1 1 36 36 VAL H H 36 7.621 7.621 8.061 -0.440 19249 2090 1 14 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.603 -0.617 19249 2091 1 14 . 1 1 38 38 ARG N N 38 127.231 127.231 125.842 1.389 19249 2092 1 14 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.978 0.447 19249 2093 1 14 . 1 1 38 38 ARG H H 38 9.180 9.180 8.829 0.351 19249 2094 1 14 . 1 1 39 39 SER N N 39 112.531 112.531 114.803 -2.272 19249 2095 1 14 . 1 1 39 39 SER HA H 39 4.226 4.226 4.234 -0.008 19249 2096 1 14 . 1 1 39 39 SER H H 39 8.895 8.895 8.439 0.456 19249 2097 1 14 . 1 1 40 40 SER N N 40 118.995 118.995 117.531 1.464 19249 2098 1 14 . 1 1 40 40 SER HA H 40 4.481 4.481 4.386 0.095 19249 2099 1 14 . 1 1 40 40 SER H H 40 7.284 7.284 7.635 -0.351 19249 2100 1 14 . 1 1 41 41 VAL N N 41 121.729 121.729 123.266 -1.537 19249 2101 1 14 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.658 -0.247 19249 2102 1 14 . 1 1 41 41 VAL H H 41 7.717 7.717 7.798 -0.081 19249 2103 1 14 . 1 1 42 42 GLN N N 42 117.503 117.503 116.348 1.155 19249 2104 1 14 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.057 -0.172 19249 2105 1 14 . 1 1 42 42 GLN H H 42 8.718 8.718 8.698 0.020 19249 2106 1 14 . 1 1 43 43 THR N N 43 115.265 115.265 115.140 0.125 19249 2107 1 14 . 1 1 43 43 THR HA H 43 4.353 4.353 4.164 0.189 19249 2108 1 14 . 1 1 43 43 THR H H 43 7.819 7.819 7.472 0.347 19249 2109 1 14 . 1 1 44 44 ILE N N 44 121.978 121.978 122.278 -0.300 19249 2110 1 14 . 1 1 44 44 ILE HA H 44 3.758 3.758 3.975 -0.217 19249 2111 1 14 . 1 1 44 44 ILE H H 44 7.761 7.761 7.525 0.236 19249 2112 1 14 . 1 1 45 45 VAL N N 45 118.992 118.992 117.587 1.405 19249 2113 1 14 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.641 -0.142 19249 2114 1 14 . 1 1 45 45 VAL H H 45 8.447 8.447 8.101 0.346 19249 2115 1 14 . 1 1 46 46 ARG N N 46 119.492 119.492 118.080 1.412 19249 2116 1 14 . 1 1 46 46 ARG HA H 46 4.014 4.014 3.859 0.155 19249 2117 1 14 . 1 1 46 46 ARG H H 46 8.247 8.247 7.494 0.753 19249 2118 1 14 . 1 1 47 47 LYS N N 47 118.000 118.000 119.111 -1.111 19249 2119 1 14 . 1 1 47 47 LYS H H 47 7.878 7.878 7.171 0.707 19249 2120 1 14 . 1 1 48 48 TYR N N 48 119.989 119.989 117.833 2.156 19249 2121 1 14 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.243 0.192 19249 2122 1 14 . 1 1 48 48 TYR H H 48 7.942 7.942 8.613 -0.671 19249 2123 1 14 . 1 1 49 49 LYS N N 49 120.735 120.735 118.684 2.051 19249 2124 1 14 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.811 0.171 19249 2125 1 14 . 1 1 49 49 LYS H H 49 8.135 8.135 6.969 1.166 19249 2126 1 14 . 1 1 50 50 HIS N N 50 118.000 118.000 119.294 -1.294 19249 2127 1 14 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.346 0.227 19249 2128 1 14 . 1 1 50 50 HIS H H 50 8.081 8.081 7.365 0.716 19249 2129 1 14 . 1 1 51 51 HIS N N 51 119.870 119.870 118.310 1.560 19249 2130 1 14 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.366 0.248 19249 2131 1 14 . 1 1 51 51 HIS H H 51 8.361 8.361 8.273 0.088 19249 2132 1 14 . 1 1 52 52 GLY N N 52 109.796 109.796 105.867 3.929 19249 2133 1 14 . 1 1 52 52 GLY H H 52 8.429 8.429 7.810 0.619 19249 2134 1 14 . 1 1 53 53 THR N N 53 113.525 113.525 114.336 -0.811 19249 2135 1 14 . 1 1 53 53 THR HA H 53 4.507 4.507 4.471 0.036 19249 2136 1 14 . 1 1 53 53 THR H H 53 8.151 8.151 8.217 -0.066 19249 2137 1 14 . 1 1 54 54 THR N N 54 116.508 116.508 116.226 0.282 19249 2138 1 14 . 1 1 54 54 THR HA H 54 4.395 4.395 4.471 -0.076 19249 2139 1 14 . 1 1 54 54 THR H H 54 8.295 8.295 7.938 0.357 19249 2140 1 14 . 1 1 55 55 GLN N N 55 122.972 122.972 120.871 2.101 19249 2141 1 14 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.380 -0.018 19249 2142 1 14 . 1 1 55 55 GLN H H 55 8.472 8.472 7.708 0.764 19249 2143 1 15 . 1 1 2 2 SER N N 2 119.504 119.504 114.116 5.388 19249 2144 1 15 . 1 1 2 2 SER HA H 2 4.148 4.148 4.003 0.145 19249 2145 1 15 . 1 1 2 2 SER H H 2 8.216 8.216 8.556 -0.340 19249 2146 1 15 . 1 1 3 3 MET N N 3 121.232 121.232 122.571 -1.339 19249 2147 1 15 . 1 1 3 3 MET HA H 3 4.293 4.293 4.561 -0.268 19249 2148 1 15 . 1 1 3 3 MET H H 3 8.370 8.370 7.963 0.407 19249 2149 1 15 . 1 1 4 4 GLY N N 4 110.044 110.044 108.907 1.137 19249 2150 1 15 . 1 1 4 4 GLY H H 4 8.509 8.509 8.047 0.462 19249 2151 1 15 . 1 1 5 5 LYS N N 5 121.232 121.232 123.285 -2.053 19249 2152 1 15 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.622 -0.220 19249 2153 1 15 . 1 1 5 5 LYS H H 5 8.301 8.301 7.930 0.371 19249 2154 1 15 . 1 1 6 6 SER N N 6 120.486 120.486 117.471 3.015 19249 2155 1 15 . 1 1 6 6 SER HA H 6 4.305 4.305 4.518 -0.213 19249 2156 1 15 . 1 1 6 6 SER H H 6 8.215 8.215 8.390 -0.175 19249 2157 1 15 . 1 1 7 7 LYS N N 7 123.967 123.967 121.072 2.895 19249 2158 1 15 . 1 1 7 7 LYS HA H 7 4.280 4.280 3.892 0.388 19249 2159 1 15 . 1 1 7 7 LYS H H 7 8.504 8.504 8.394 0.110 19249 2160 1 15 . 1 1 8 8 GLU N N 8 122.475 122.475 113.886 8.589 19249 2161 1 15 . 1 1 8 8 GLU HA H 8 4.323 4.323 3.861 0.462 19249 2162 1 15 . 1 1 8 8 GLU H H 8 8.386 8.386 8.670 -0.284 19249 2163 1 15 . 1 1 9 9 ILE N N 9 123.504 123.504 118.707 4.797 19249 2164 1 15 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.168 0.222 19249 2165 1 15 . 1 1 9 9 ILE H H 9 8.434 8.434 7.869 0.565 19249 2166 1 15 . 1 1 10 10 SER N N 10 117.254 117.254 121.026 -3.772 19249 2167 1 15 . 1 1 10 10 SER HA H 10 4.454 4.454 4.750 -0.296 19249 2168 1 15 . 1 1 10 10 SER H H 10 8.440 8.440 8.157 0.283 19249 2169 1 15 . 1 1 11 11 GLN N N 11 121.678 121.678 122.343 -0.665 19249 2170 1 15 . 1 1 11 11 GLN HA H 11 4.441 4.441 3.894 0.547 19249 2171 1 15 . 1 1 11 11 GLN H H 11 9.073 9.073 7.458 1.615 19249 2172 1 15 . 1 1 12 12 ASP N N 12 118.249 118.249 118.665 -0.416 19249 2173 1 15 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.375 0.040 19249 2174 1 15 . 1 1 12 12 ASP H H 12 8.509 8.509 8.516 -0.007 19249 2175 1 15 . 1 1 13 13 LEU N N 13 122.227 122.227 120.472 1.755 19249 2176 1 15 . 1 1 13 13 LEU HA H 13 4.179 4.179 3.939 0.240 19249 2177 1 15 . 1 1 13 13 LEU H H 13 7.739 7.739 7.831 -0.092 19249 2178 1 15 . 1 1 14 14 ARG N N 14 119.492 119.492 118.862 0.630 19249 2179 1 15 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.891 -0.123 19249 2180 1 15 . 1 1 14 14 ARG H H 14 8.456 8.456 8.523 -0.067 19249 2181 1 15 . 1 1 15 15 LYS N N 15 117.503 117.503 119.096 -1.593 19249 2182 1 15 . 1 1 15 15 LYS HA H 15 3.942 3.942 3.948 -0.006 19249 2183 1 15 . 1 1 15 15 LYS H H 15 7.835 7.835 8.092 -0.257 19249 2184 1 15 . 1 1 16 16 LYS N N 16 118.746 118.746 119.479 -0.733 19249 2185 1 15 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.130 0.009 19249 2186 1 15 . 1 1 16 16 LYS H H 16 7.642 7.642 7.906 -0.264 19249 2187 1 15 . 1 1 17 17 ILE N N 17 119.243 119.243 121.266 -2.023 19249 2188 1 15 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.754 -0.324 19249 2189 1 15 . 1 1 17 17 ILE H H 17 8.349 8.349 8.194 0.155 19249 2190 1 15 . 1 1 18 18 VAL N N 18 118.995 118.995 118.660 0.335 19249 2191 1 15 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.497 -0.211 19249 2192 1 15 . 1 1 18 18 VAL H H 18 7.910 7.910 8.229 -0.319 19249 2193 1 15 . 1 1 19 19 ASP N N 19 120.735 120.735 120.111 0.624 19249 2194 1 15 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.368 -0.006 19249 2195 1 15 . 1 1 19 19 ASP H H 19 8.654 8.654 7.571 1.083 19249 2196 1 15 . 1 1 20 20 LEU N N 20 120.780 120.780 119.520 1.260 19249 2197 1 15 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.070 0.069 19249 2198 1 15 . 1 1 20 20 LEU H H 20 8.343 8.343 8.094 0.249 19249 2199 1 15 . 1 1 21 21 HIS N N 21 122.724 122.724 117.665 5.059 19249 2200 1 15 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.362 0.053 19249 2201 1 15 . 1 1 21 21 HIS H H 21 8.670 8.670 7.632 1.038 19249 2202 1 15 . 1 1 22 22 LYS N N 22 121.277 121.277 117.561 3.716 19249 2203 1 15 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.367 -0.530 19249 2204 1 15 . 1 1 22 22 LYS H H 22 9.097 9.097 7.504 1.593 19249 2205 1 15 . 1 1 23 23 SER N N 23 111.785 111.785 114.055 -2.270 19249 2206 1 15 . 1 1 23 23 SER HA H 23 4.507 4.507 4.409 0.098 19249 2207 1 15 . 1 1 23 23 SER H H 23 7.658 7.658 7.604 0.054 19249 2208 1 15 . 1 1 24 24 GLY N N 24 108.056 108.056 110.367 -2.311 19249 2209 1 15 . 1 1 24 24 GLY H H 24 7.669 7.669 8.826 -1.157 19249 2210 1 15 . 1 1 25 25 SER N N 25 117.752 117.752 117.888 -0.136 19249 2211 1 15 . 1 1 25 25 SER HA H 25 4.520 4.520 4.264 0.256 19249 2212 1 15 . 1 1 25 25 SER H H 25 7.947 7.947 8.104 -0.157 19249 2213 1 15 . 1 1 26 26 SER N N 26 119.954 119.954 116.251 3.703 19249 2214 1 15 . 1 1 26 26 SER H H 26 8.749 8.749 8.230 0.519 19249 2215 1 15 . 1 1 27 27 LEU N N 27 121.232 121.232 123.456 -2.224 19249 2216 1 15 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.159 0.381 19249 2217 1 15 . 1 1 27 27 LEU H H 27 8.761 8.761 7.781 0.980 19249 2218 1 15 . 1 1 28 28 GLY N N 28 105.556 105.556 106.498 -0.942 19249 2219 1 15 . 1 1 28 28 GLY H H 28 8.843 8.843 8.697 0.146 19249 2220 1 15 . 1 1 29 29 ALA N N 29 125.956 125.956 124.297 1.659 19249 2221 1 15 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.079 0.122 19249 2222 1 15 . 1 1 29 29 ALA H H 29 7.996 7.996 7.810 0.186 19249 2223 1 15 . 1 1 30 30 ILE N N 30 119.787 119.787 115.336 4.451 19249 2224 1 15 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.750 -0.283 19249 2225 1 15 . 1 1 30 30 ILE H H 30 8.439 8.439 7.949 0.490 19249 2226 1 15 . 1 1 31 31 SER N N 31 112.282 112.282 117.473 -5.191 19249 2227 1 15 . 1 1 31 31 SER HA H 31 4.271 4.271 4.144 0.127 19249 2228 1 15 . 1 1 31 31 SER H H 31 8.017 8.017 8.486 -0.469 19249 2229 1 15 . 1 1 32 32 LYS N N 32 118.497 118.497 121.707 -3.210 19249 2230 1 15 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.215 -0.063 19249 2231 1 15 . 1 1 32 32 LYS H H 32 8.022 8.022 7.580 0.442 19249 2232 1 15 . 1 1 33 33 ARG N N 33 118.746 118.746 119.983 -1.237 19249 2233 1 15 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.128 -0.002 19249 2234 1 15 . 1 1 33 33 ARG H H 33 8.226 8.226 7.993 0.233 19249 2235 1 15 . 1 1 34 34 LEU N N 34 113.774 113.774 117.509 -3.735 19249 2236 1 15 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.309 0.094 19249 2237 1 15 . 1 1 34 34 LEU H H 34 8.199 8.199 7.986 0.213 19249 2238 1 15 . 1 1 35 35 LYS N N 35 116.757 116.757 119.416 -2.659 19249 2239 1 15 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.052 -0.057 19249 2240 1 15 . 1 1 35 35 LYS H H 35 7.776 7.776 7.429 0.347 19249 2241 1 15 . 1 1 36 36 VAL N N 36 115.514 115.514 122.276 -6.762 19249 2242 1 15 . 1 1 36 36 VAL H H 36 7.621 7.621 7.683 -0.062 19249 2243 1 15 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.576 -0.590 19249 2244 1 15 . 1 1 38 38 ARG N N 38 127.231 127.231 124.343 2.888 19249 2245 1 15 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.943 0.482 19249 2246 1 15 . 1 1 38 38 ARG H H 38 9.180 9.180 8.853 0.327 19249 2247 1 15 . 1 1 39 39 SER N N 39 112.531 112.531 113.908 -1.377 19249 2248 1 15 . 1 1 39 39 SER HA H 39 4.226 4.226 4.227 -0.001 19249 2249 1 15 . 1 1 39 39 SER H H 39 8.895 8.895 8.548 0.347 19249 2250 1 15 . 1 1 40 40 SER N N 40 118.995 118.995 117.488 1.507 19249 2251 1 15 . 1 1 40 40 SER HA H 40 4.481 4.481 4.435 0.046 19249 2252 1 15 . 1 1 40 40 SER H H 40 7.284 7.284 7.741 -0.457 19249 2253 1 15 . 1 1 41 41 VAL N N 41 121.729 121.729 123.480 -1.751 19249 2254 1 15 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.662 -0.251 19249 2255 1 15 . 1 1 41 41 VAL H H 41 7.717 7.717 7.793 -0.076 19249 2256 1 15 . 1 1 42 42 GLN N N 42 117.503 117.503 119.272 -1.769 19249 2257 1 15 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.024 -0.139 19249 2258 1 15 . 1 1 42 42 GLN H H 42 8.718 8.718 8.286 0.432 19249 2259 1 15 . 1 1 43 43 THR N N 43 115.265 115.265 112.228 3.037 19249 2260 1 15 . 1 1 43 43 THR HA H 43 4.353 4.353 4.128 0.225 19249 2261 1 15 . 1 1 43 43 THR H H 43 7.819 7.819 7.697 0.122 19249 2262 1 15 . 1 1 44 44 ILE N N 44 121.978 121.978 121.425 0.553 19249 2263 1 15 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.095 -0.337 19249 2264 1 15 . 1 1 44 44 ILE H H 44 7.761 7.761 7.492 0.269 19249 2265 1 15 . 1 1 45 45 VAL N N 45 118.992 118.992 117.685 1.307 19249 2266 1 15 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.284 0.215 19249 2267 1 15 . 1 1 45 45 VAL H H 45 8.447 8.447 8.459 -0.012 19249 2268 1 15 . 1 1 46 46 ARG N N 46 119.492 119.492 119.379 0.113 19249 2269 1 15 . 1 1 46 46 ARG HA H 46 4.014 4.014 3.900 0.114 19249 2270 1 15 . 1 1 46 46 ARG H H 46 8.247 8.247 8.005 0.242 19249 2271 1 15 . 1 1 47 47 LYS N N 47 118.000 118.000 119.744 -1.744 19249 2272 1 15 . 1 1 47 47 LYS H H 47 7.878 7.878 7.523 0.355 19249 2273 1 15 . 1 1 48 48 TYR N N 48 119.989 119.989 115.679 4.310 19249 2274 1 15 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.658 -0.223 19249 2275 1 15 . 1 1 48 48 TYR H H 48 7.942 7.942 7.889 0.053 19249 2276 1 15 . 1 1 49 49 LYS N N 49 120.735 120.735 121.629 -0.894 19249 2277 1 15 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.974 0.008 19249 2278 1 15 . 1 1 49 49 LYS H H 49 8.135 8.135 7.254 0.881 19249 2279 1 15 . 1 1 50 50 HIS N N 50 118.000 118.000 119.321 -1.321 19249 2280 1 15 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.348 0.225 19249 2281 1 15 . 1 1 50 50 HIS H H 50 8.081 8.081 7.713 0.368 19249 2282 1 15 . 1 1 51 51 HIS N N 51 119.870 119.870 118.046 1.824 19249 2283 1 15 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.469 0.145 19249 2284 1 15 . 1 1 51 51 HIS H H 51 8.361 8.361 8.714 -0.353 19249 2285 1 15 . 1 1 52 52 GLY N N 52 109.796 109.796 105.226 4.570 19249 2286 1 15 . 1 1 52 52 GLY H H 52 8.429 8.429 8.543 -0.114 19249 2287 1 15 . 1 1 53 53 THR N N 53 113.525 113.525 116.406 -2.881 19249 2288 1 15 . 1 1 53 53 THR HA H 53 4.507 4.507 4.618 -0.111 19249 2289 1 15 . 1 1 53 53 THR H H 53 8.151 8.151 7.482 0.669 19249 2290 1 15 . 1 1 54 54 THR N N 54 116.508 116.508 117.137 -0.629 19249 2291 1 15 . 1 1 54 54 THR HA H 54 4.395 4.395 4.460 -0.065 19249 2292 1 15 . 1 1 54 54 THR H H 54 8.295 8.295 8.408 -0.113 19249 2293 1 15 . 1 1 55 55 GLN N N 55 122.972 122.972 121.777 1.195 19249 2294 1 15 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.077 0.285 19249 2295 1 15 . 1 1 55 55 GLN H H 55 8.472 8.472 7.921 0.551 19249 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 53 2.731 -0.149 2.753 19249 2 1 1 "Average Difference" HA 55 0.348 0.004 0.351 19249 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19249 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19249 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19249 6 1 1 "Average Difference" HN 53 0.548 -0.153 0.531 19249 7 1 2 "Average Difference" N 53 2.529 0.169 2.548 19249 8 1 2 "Average Difference" HA 55 0.292 -0.048 0.290 19249 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19249 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19249 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19249 12 1 2 "Average Difference" HN 53 0.511 -0.234 0.459 19249 13 1 3 "Average Difference" N 53 3.027 -0.385 3.031 19249 14 1 3 "Average Difference" HA 55 0.274 -0.057 0.270 19249 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19249 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19249 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19249 18 1 3 "Average Difference" HN 53 0.530 -0.209 0.492 19249 19 1 4 "Average Difference" N 53 2.296 -0.031 2.318 19249 20 1 4 "Average Difference" HA 55 0.293 -0.059 0.290 19249 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19249 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19249 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19249 24 1 4 "Average Difference" HN 53 0.532 -0.225 0.487 19249 25 1 5 "Average Difference" N 53 2.569 -0.064 2.592 19249 26 1 5 "Average Difference" HA 55 0.284 -0.055 0.281 19249 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19249 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19249 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19249 30 1 5 "Average Difference" HN 53 0.473 -0.216 0.425 19249 31 1 6 "Average Difference" N 53 2.415 -0.164 2.433 19249 32 1 6 "Average Difference" HA 55 0.274 -0.083 0.264 19249 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19249 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19249 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19249 36 1 6 "Average Difference" HN 53 0.488 -0.281 0.402 19249 37 1 7 "Average Difference" N 53 2.472 -0.103 2.494 19249 38 1 7 "Average Difference" HA 55 0.270 -0.082 0.259 19249 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19249 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19249 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19249 42 1 7 "Average Difference" HN 53 0.551 -0.283 0.477 19249 43 1 8 "Average Difference" N 53 2.678 0.139 2.700 19249 44 1 8 "Average Difference" HA 55 0.273 -0.030 0.274 19249 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19249 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19249 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19249 48 1 8 "Average Difference" HN 53 0.556 -0.240 0.507 19249 49 1 9 "Average Difference" N 53 2.454 0.200 2.469 19249 50 1 9 "Average Difference" HA 55 0.302 -0.066 0.297 19249 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19249 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19249 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19249 54 1 9 "Average Difference" HN 53 0.485 -0.162 0.462 19249 55 1 10 "Average Difference" N 53 2.588 -0.398 2.581 19249 56 1 10 "Average Difference" HA 55 0.254 -0.037 0.254 19249 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19249 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19249 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19249 60 1 10 "Average Difference" HN 53 0.463 -0.244 0.397 19249 61 1 11 "Average Difference" N 53 2.616 -0.293 2.625 19249 62 1 11 "Average Difference" HA 55 0.257 -0.030 0.258 19249 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19249 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 19249 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 19249 66 1 11 "Average Difference" HN 53 0.528 -0.268 0.459 19249 67 1 12 "Average Difference" N 53 2.436 -0.377 2.429 19249 68 1 12 "Average Difference" HA 55 0.293 -0.034 0.293 19249 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19249 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 19249 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 19249 72 1 12 "Average Difference" HN 53 0.557 -0.192 0.528 19249 73 1 13 "Average Difference" N 53 2.796 -0.085 2.821 19249 74 1 13 "Average Difference" HA 55 0.273 -0.021 0.275 19249 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19249 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19249 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 19249 78 1 13 "Average Difference" HN 53 0.541 -0.248 0.485 19249 79 1 14 "Average Difference" N 53 2.610 -0.289 2.619 19249 80 1 14 "Average Difference" HA 55 0.255 -0.057 0.251 19249 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19249 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19249 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 19249 84 1 14 "Average Difference" HN 53 0.549 -0.227 0.504 19249 85 1 15 "Average Difference" N 53 2.959 -0.277 2.975 19249 86 1 15 "Average Difference" HA 55 0.270 -0.040 0.269 19249 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19249 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19249 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 19249 90 1 15 "Average Difference" HN 53 0.534 -0.215 0.494 19249 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 19249 _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 SER N N 2 119.504 119.504 116.210 3.294 19249 2 1 . 1 1 2 2 SER HA H 2 4.148 4.148 4.566 -0.418 19249 3 1 . 1 1 2 2 SER H H 2 8.216 8.216 8.402 -0.186 19249 4 1 . 1 1 3 3 MET N N 3 121.232 121.232 120.820 0.412 19249 5 1 . 1 1 3 3 MET HA H 3 4.293 4.293 4.557 -0.264 19249 6 1 . 1 1 3 3 MET H H 3 8.370 8.370 8.249 0.121 19249 7 1 . 1 1 4 4 GLY N N 4 110.044 110.044 109.855 0.189 19249 8 1 . 1 1 4 4 GLY H H 4 8.509 8.509 8.328 0.181 19249 9 1 . 1 1 5 5 LYS N N 5 121.232 121.232 121.000 0.232 19249 10 1 . 1 1 5 5 LYS HA H 5 4.402 4.402 4.379 0.023 19249 11 1 . 1 1 5 5 LYS H H 5 8.301 8.301 8.098 0.203 19249 12 1 . 1 1 6 6 SER N N 6 120.486 120.486 116.918 3.568 19249 13 1 . 1 1 6 6 SER HA H 6 4.305 4.305 4.469 -0.164 19249 14 1 . 1 1 6 6 SER H H 6 8.215 8.215 8.373 -0.158 19249 15 1 . 1 1 7 7 LYS N N 7 123.967 123.967 123.097 0.870 19249 16 1 . 1 1 7 7 LYS HA H 7 4.280 4.280 4.384 -0.104 19249 17 1 . 1 1 7 7 LYS H H 7 8.504 8.504 8.238 0.266 19249 18 1 . 1 1 8 8 GLU N N 8 122.475 122.475 120.722 1.753 19249 19 1 . 1 1 8 8 GLU HA H 8 4.323 4.323 4.261 0.062 19249 20 1 . 1 1 8 8 GLU H H 8 8.386 8.386 8.491 -0.105 19249 21 1 . 1 1 9 9 ILE N N 9 123.504 123.504 121.809 1.695 19249 22 1 . 1 1 9 9 ILE HA H 9 4.390 4.390 4.137 0.253 19249 23 1 . 1 1 9 9 ILE H H 9 8.434 8.434 8.181 0.253 19249 24 1 . 1 1 10 10 SER N N 10 117.254 117.254 121.552 -4.298 19249 25 1 . 1 1 10 10 SER HA H 10 4.454 4.454 4.457 -0.003 19249 26 1 . 1 1 10 10 SER H H 10 8.440 8.440 8.494 -0.054 19249 27 1 . 1 1 11 11 GLN N N 11 121.678 121.678 122.971 -1.293 19249 28 1 . 1 1 11 11 GLN HA H 11 4.441 4.441 4.038 0.403 19249 29 1 . 1 1 11 11 GLN H H 11 9.073 9.073 8.505 0.568 19249 30 1 . 1 1 12 12 ASP N N 12 118.249 118.249 119.752 -1.503 19249 31 1 . 1 1 12 12 ASP HA H 12 4.415 4.415 4.371 0.044 19249 32 1 . 1 1 12 12 ASP H H 12 8.509 8.509 8.389 0.120 19249 33 1 . 1 1 13 13 LEU N N 13 122.227 122.227 120.678 1.549 19249 34 1 . 1 1 13 13 LEU HA H 13 4.179 4.179 4.050 0.129 19249 35 1 . 1 1 13 13 LEU H H 13 7.739 7.739 7.837 -0.098 19249 36 1 . 1 1 14 14 ARG N N 14 119.492 119.492 119.039 0.453 19249 37 1 . 1 1 14 14 ARG HA H 14 3.768 3.768 3.932 -0.164 19249 38 1 . 1 1 14 14 ARG H H 14 8.456 8.456 8.297 0.159 19249 39 1 . 1 1 15 15 LYS N N 15 117.503 117.503 118.885 -1.382 19249 40 1 . 1 1 15 15 LYS HA H 15 3.942 3.942 4.030 -0.088 19249 41 1 . 1 1 15 15 LYS H H 15 7.835 7.835 8.019 -0.184 19249 42 1 . 1 1 16 16 LYS N N 16 118.746 118.746 120.378 -1.632 19249 43 1 . 1 1 16 16 LYS HA H 16 4.139 4.139 4.088 0.051 19249 44 1 . 1 1 16 16 LYS H H 16 7.642 7.642 7.892 -0.250 19249 45 1 . 1 1 17 17 ILE N N 17 119.243 119.243 120.187 -0.944 19249 46 1 . 1 1 17 17 ILE HA H 17 3.430 3.430 3.753 -0.323 19249 47 1 . 1 1 17 17 ILE H H 17 8.349 8.349 8.186 0.163 19249 48 1 . 1 1 18 18 VAL N N 18 118.995 118.995 119.554 -0.559 19249 49 1 . 1 1 18 18 VAL HA H 18 3.286 3.286 3.448 -0.162 19249 50 1 . 1 1 18 18 VAL H H 18 7.910 7.910 7.581 0.329 19249 51 1 . 1 1 19 19 ASP N N 19 120.735 120.735 120.209 0.526 19249 52 1 . 1 1 19 19 ASP HA H 19 4.362 4.362 4.356 0.006 19249 53 1 . 1 1 19 19 ASP H H 19 8.654 8.654 7.856 0.798 19249 54 1 . 1 1 20 20 LEU N N 20 120.780 120.780 119.003 1.777 19249 55 1 . 1 1 20 20 LEU HA H 20 4.139 4.139 4.074 0.065 19249 56 1 . 1 1 20 20 LEU H H 20 8.343 8.343 8.256 0.087 19249 57 1 . 1 1 21 21 HIS N N 21 122.724 122.724 117.680 5.044 19249 58 1 . 1 1 21 21 HIS HA H 21 4.415 4.415 4.327 0.088 19249 59 1 . 1 1 21 21 HIS H H 21 8.670 8.670 7.787 0.883 19249 60 1 . 1 1 22 22 LYS N N 22 121.277 121.277 118.047 3.230 19249 61 1 . 1 1 22 22 LYS HA H 22 3.837 3.837 4.255 -0.417 19249 62 1 . 1 1 22 22 LYS H H 22 9.097 9.097 7.649 1.448 19249 63 1 . 1 1 23 23 SER N N 23 111.785 111.785 113.650 -1.865 19249 64 1 . 1 1 23 23 SER HA H 23 4.507 4.507 4.400 0.107 19249 65 1 . 1 1 23 23 SER H H 23 7.658 7.658 7.639 0.019 19249 66 1 . 1 1 24 24 GLY N N 24 108.056 108.056 109.789 -1.733 19249 67 1 . 1 1 24 24 GLY H H 24 7.669 7.669 8.232 -0.563 19249 68 1 . 1 1 25 25 SER N N 25 117.752 117.752 118.792 -1.040 19249 69 1 . 1 1 25 25 SER HA H 25 4.520 4.520 4.345 0.175 19249 70 1 . 1 1 25 25 SER H H 25 7.947 7.947 8.106 -0.159 19249 71 1 . 1 1 26 26 SER N N 26 119.954 119.954 117.231 2.723 19249 72 1 . 1 1 26 26 SER H H 26 8.749 8.749 8.190 0.559 19249 73 1 . 1 1 27 27 LEU N N 27 121.232 121.232 123.221 -1.989 19249 74 1 . 1 1 27 27 LEU HA H 27 4.540 4.540 4.098 0.442 19249 75 1 . 1 1 27 27 LEU H H 27 8.761 8.761 7.611 1.150 19249 76 1 . 1 1 28 28 GLY N N 28 105.556 105.556 106.117 -0.561 19249 77 1 . 1 1 28 28 GLY H H 28 8.843 8.843 8.229 0.614 19249 78 1 . 1 1 29 29 ALA N N 29 125.956 125.956 124.599 1.357 19249 79 1 . 1 1 29 29 ALA HA H 29 4.201 4.201 4.098 0.103 19249 80 1 . 1 1 29 29 ALA H H 29 7.996 7.996 7.544 0.452 19249 81 1 . 1 1 30 30 ILE N N 30 119.787 119.787 115.965 3.822 19249 82 1 . 1 1 30 30 ILE HA H 30 3.467 3.467 3.668 -0.201 19249 83 1 . 1 1 30 30 ILE H H 30 8.439 8.439 7.723 0.716 19249 84 1 . 1 1 31 31 SER N N 31 112.282 112.282 116.432 -4.150 19249 85 1 . 1 1 31 31 SER HA H 31 4.271 4.271 4.154 0.117 19249 86 1 . 1 1 31 31 SER H H 31 8.017 8.017 8.155 -0.138 19249 87 1 . 1 1 32 32 LYS N N 32 118.497 118.497 121.295 -2.798 19249 88 1 . 1 1 32 32 LYS HA H 32 4.152 4.152 4.193 -0.041 19249 89 1 . 1 1 32 32 LYS H H 32 8.022 8.022 7.602 0.420 19249 90 1 . 1 1 33 33 ARG N N 33 118.746 118.746 118.654 0.092 19249 91 1 . 1 1 33 33 ARG HA H 33 4.126 4.126 4.187 -0.061 19249 92 1 . 1 1 33 33 ARG H H 33 8.226 8.226 8.035 0.191 19249 93 1 . 1 1 34 34 LEU N N 34 113.774 113.774 117.394 -3.620 19249 94 1 . 1 1 34 34 LEU HA H 34 4.403 4.403 4.377 0.026 19249 95 1 . 1 1 34 34 LEU H H 34 8.199 8.199 7.951 0.248 19249 96 1 . 1 1 35 35 LYS N N 35 116.757 116.757 117.034 -0.277 19249 97 1 . 1 1 35 35 LYS HA H 35 3.995 3.995 4.111 -0.116 19249 98 1 . 1 1 35 35 LYS H H 35 7.776 7.776 7.668 0.108 19249 99 1 . 1 1 36 36 VAL N N 36 115.514 115.514 119.777 -4.263 19249 100 1 . 1 1 36 36 VAL H H 36 7.621 7.621 7.839 -0.218 19249 101 1 . 1 1 37 37 PRO HA H 37 3.986 3.986 4.552 -0.566 19249 102 1 . 1 1 38 38 ARG N N 38 127.231 127.231 125.006 2.225 19249 103 1 . 1 1 38 38 ARG HA H 38 4.425 4.425 3.960 0.465 19249 104 1 . 1 1 38 38 ARG H H 38 9.180 9.180 8.761 0.419 19249 105 1 . 1 1 39 39 SER N N 39 112.531 112.531 114.510 -1.979 19249 106 1 . 1 1 39 39 SER HA H 39 4.226 4.226 4.269 -0.043 19249 107 1 . 1 1 39 39 SER H H 39 8.895 8.895 8.580 0.315 19249 108 1 . 1 1 40 40 SER N N 40 118.995 118.995 117.907 1.088 19249 109 1 . 1 1 40 40 SER HA H 40 4.481 4.481 4.345 0.136 19249 110 1 . 1 1 40 40 SER H H 40 7.284 7.284 7.627 -0.343 19249 111 1 . 1 1 41 41 VAL N N 41 121.729 121.729 122.925 -1.196 19249 112 1 . 1 1 41 41 VAL HA H 41 3.411 3.411 3.700 -0.289 19249 113 1 . 1 1 41 41 VAL H H 41 7.717 7.717 8.081 -0.364 19249 114 1 . 1 1 42 42 GLN N N 42 117.503 117.503 118.205 -0.702 19249 115 1 . 1 1 42 42 GLN HA H 42 3.885 3.885 4.030 -0.145 19249 116 1 . 1 1 42 42 GLN H H 42 8.718 8.718 8.455 0.263 19249 117 1 . 1 1 43 43 THR N N 43 115.265 115.265 115.453 -0.188 19249 118 1 . 1 1 43 43 THR HA H 43 4.353 4.353 4.098 0.255 19249 119 1 . 1 1 43 43 THR H H 43 7.819 7.819 7.611 0.208 19249 120 1 . 1 1 44 44 ILE N N 44 121.978 121.978 120.758 1.220 19249 121 1 . 1 1 44 44 ILE HA H 44 3.758 3.758 4.032 -0.274 19249 122 1 . 1 1 44 44 ILE H H 44 7.761 7.761 7.748 0.013 19249 123 1 . 1 1 45 45 VAL N N 45 118.992 118.992 117.857 1.135 19249 124 1 . 1 1 45 45 VAL HA H 45 3.499 3.499 3.557 -0.058 19249 125 1 . 1 1 45 45 VAL H H 45 8.447 8.447 8.282 0.165 19249 126 1 . 1 1 46 46 ARG N N 46 119.492 119.492 119.873 -0.381 19249 127 1 . 1 1 46 46 ARG HA H 46 4.014 4.014 3.988 0.026 19249 128 1 . 1 1 46 46 ARG H H 46 8.247 8.247 7.736 0.511 19249 129 1 . 1 1 47 47 LYS N N 47 118.000 118.000 119.986 -1.986 19249 130 1 . 1 1 47 47 LYS H H 47 7.878 7.878 7.630 0.248 19249 131 1 . 1 1 48 48 TYR N N 48 119.989 119.989 118.594 1.395 19249 132 1 . 1 1 48 48 TYR HA H 48 4.435 4.435 4.346 0.089 19249 133 1 . 1 1 48 48 TYR H H 48 7.942 7.942 8.226 -0.284 19249 134 1 . 1 1 49 49 LYS N N 49 120.735 120.735 119.396 1.339 19249 135 1 . 1 1 49 49 LYS HA H 49 3.982 3.982 3.767 0.215 19249 136 1 . 1 1 49 49 LYS H H 49 8.135 8.135 7.645 0.490 19249 137 1 . 1 1 50 50 HIS N N 50 118.000 118.000 119.383 -1.383 19249 138 1 . 1 1 50 50 HIS HA H 50 4.573 4.573 4.297 0.276 19249 139 1 . 1 1 50 50 HIS H H 50 8.081 8.081 7.854 0.227 19249 140 1 . 1 1 51 51 HIS N N 51 119.870 119.870 118.421 1.449 19249 141 1 . 1 1 51 51 HIS HA H 51 4.614 4.614 4.397 0.217 19249 142 1 . 1 1 51 51 HIS H H 51 8.361 8.361 8.358 0.003 19249 143 1 . 1 1 52 52 GLY N N 52 109.796 109.796 105.425 4.371 19249 144 1 . 1 1 52 52 GLY H H 52 8.429 8.429 8.120 0.309 19249 145 1 . 1 1 53 53 THR N N 53 113.525 113.525 114.789 -1.264 19249 146 1 . 1 1 53 53 THR HA H 53 4.507 4.507 4.262 0.245 19249 147 1 . 1 1 53 53 THR H H 53 8.151 8.151 7.514 0.637 19249 148 1 . 1 1 54 54 THR N N 54 116.508 116.508 114.771 1.737 19249 149 1 . 1 1 54 54 THR HA H 54 4.395 4.395 4.317 0.078 19249 150 1 . 1 1 54 54 THR H H 54 8.295 8.295 7.691 0.604 19249 151 1 . 1 1 55 55 GLN N N 55 122.972 122.972 121.083 1.889 19249 152 1 . 1 1 55 55 GLN HA H 55 4.362 4.362 4.175 0.187 19249 153 1 . 1 1 55 55 GLN H H 55 8.472 8.472 7.838 0.634 19249 stop_ save_