data_18912 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18912 _Entry.PDB_ID 2M2F 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 18912 _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 CYS N N 2 116.766 116.766 119.545 -2.779 18912 2 1 1 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.597 -1.026 18912 3 1 1 . 1 1 2 2 CYS H H 2 8.485 8.485 7.564 0.921 18912 4 1 1 . 1 1 3 3 GLU N N 3 124.348 124.348 122.161 2.187 18912 5 1 1 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.082 -0.119 18912 6 1 1 . 1 1 3 3 GLU H H 3 9.345 9.345 8.394 0.951 18912 7 1 1 . 1 1 4 4 ARG N N 4 119.167 119.167 119.289 -0.122 18912 8 1 1 . 1 1 4 4 ARG HA H 4 3.959 3.959 3.998 -0.039 18912 9 1 1 . 1 1 4 4 ARG H H 4 8.390 8.390 8.175 0.215 18912 10 1 1 . 1 1 5 5 GLU N N 5 114.022 114.022 115.937 -1.915 18912 11 1 1 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.061 0.170 18912 12 1 1 . 1 1 5 5 GLU H H 5 8.309 8.309 8.428 -0.119 18912 13 1 1 . 1 1 6 6 GLN N N 6 113.489 113.489 112.712 0.777 18912 14 1 1 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.461 0.084 18912 15 1 1 . 1 1 6 6 GLN H H 6 7.210 7.210 7.725 -0.515 18912 16 1 1 . 1 1 7 7 GLN N N 7 114.953 114.953 115.315 -0.362 18912 17 1 1 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.146 -0.056 18912 18 1 1 . 1 1 7 7 GLN H H 7 7.454 7.454 8.004 -0.550 18912 19 1 1 . 1 1 8 8 LEU N N 8 118.695 118.695 118.350 0.345 18912 20 1 1 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.567 0.146 18912 21 1 1 . 1 1 8 8 LEU H H 8 7.414 7.414 7.726 -0.312 18912 22 1 1 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.313 -0.005 18912 23 1 1 . 1 1 9 9 GLU CA C 9 55.627 55.627 54.849 0.778 18912 24 1 1 . 1 1 9 9 GLU CB C 9 31.778 31.778 32.061 -0.283 18912 25 1 1 . 1 1 9 9 GLU H H 9 8.250 8.250 8.315 -0.065 18912 26 1 1 . 1 1 10 10 SER N N 10 120.943 120.943 117.254 3.689 18912 27 1 1 . 1 1 10 10 SER HA H 10 5.063 5.063 5.131 -0.068 18912 28 1 1 . 1 1 10 10 SER H H 10 8.886 8.886 8.361 0.525 18912 29 1 1 . 1 1 11 11 CYS N N 11 118.295 118.295 117.387 0.908 18912 30 1 1 . 1 1 11 11 CYS HA H 11 4.843 4.843 5.274 -0.431 18912 31 1 1 . 1 1 11 11 CYS H H 11 8.094 8.094 8.798 -0.704 18912 32 1 1 . 1 1 12 12 ALA N N 12 123.087 123.087 121.092 1.995 18912 33 1 1 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.712 0.082 18912 34 1 1 . 1 1 12 12 ALA H H 12 8.419 8.419 8.341 0.078 18912 35 1 1 . 1 1 13 13 CYS N N 13 123.511 123.511 123.471 0.040 18912 36 1 1 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.426 -0.223 18912 37 1 1 . 1 1 13 13 CYS H H 13 9.174 9.174 8.497 0.677 18912 38 1 1 . 1 1 14 14 ASN N N 14 118.292 118.292 121.853 -3.561 18912 39 1 1 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.354 0.159 18912 40 1 1 . 1 1 14 14 ASN H H 14 8.290 8.290 8.753 -0.463 18912 41 1 1 . 1 1 15 15 GLU N N 15 119.065 119.065 118.342 0.723 18912 42 1 1 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.346 0.126 18912 43 1 1 . 1 1 15 15 GLU H H 15 8.197 8.197 8.189 0.008 18912 44 1 1 . 1 1 16 16 THR HA H 16 3.823 3.823 3.985 -0.162 18912 45 1 1 . 1 1 16 16 THR CA C 16 67.200 67.200 66.102 1.099 18912 46 1 1 . 1 1 16 16 THR CB C 16 68.382 68.382 68.791 -0.409 18912 47 1 1 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.489 -0.007 18912 48 1 1 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.542 -0.059 18912 49 1 1 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.212 -1.208 18912 50 1 1 . 1 1 18 18 ASN N N 18 114.925 114.925 117.085 -2.160 18912 51 1 1 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.671 0.303 18912 52 1 1 . 1 1 18 18 ASN H H 18 7.606 7.606 8.892 -1.286 18912 53 1 1 . 1 1 19 19 SER N N 19 115.866 115.866 117.268 -1.402 18912 54 1 1 . 1 1 19 19 SER HA H 19 4.209 4.209 4.475 -0.266 18912 55 1 1 . 1 1 19 19 SER H H 19 7.702 7.702 8.039 -0.337 18912 56 1 1 . 1 1 20 20 CYS N N 20 118.266 118.266 117.580 0.686 18912 57 1 1 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.598 0.380 18912 58 1 1 . 1 1 20 20 CYS H H 20 8.811 8.811 7.875 0.936 18912 59 1 1 . 1 1 21 21 LYS N N 21 120.561 120.561 119.485 1.076 18912 60 1 1 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.861 0.251 18912 61 1 1 . 1 1 21 21 LYS H H 21 7.715 7.715 7.400 0.315 18912 62 1 1 . 1 1 22 22 VAL N N 22 119.640 119.640 122.200 -2.560 18912 63 1 1 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.201 -0.446 18912 64 1 1 . 1 1 22 22 VAL H H 22 8.422 8.422 8.155 0.267 18912 65 1 1 . 1 1 23 23 CYS N N 23 129.569 129.569 126.282 3.287 18912 66 1 1 . 1 1 23 23 CYS HA H 23 5.401 5.401 4.975 0.426 18912 67 1 1 . 1 1 23 23 CYS H H 23 9.030 9.030 8.519 0.511 18912 68 1 1 . 1 1 24 24 CYS N N 24 116.307 116.307 120.951 -4.644 18912 69 1 1 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.555 -0.165 18912 70 1 1 . 1 1 24 24 CYS H H 24 8.746 8.746 9.368 -0.622 18912 71 1 1 . 1 1 25 25 ARG N N 25 125.239 125.239 121.995 3.244 18912 72 1 1 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.561 -0.628 18912 73 1 1 . 1 1 25 25 ARG H H 25 9.219 9.219 8.869 0.350 18912 74 1 1 . 1 1 26 26 ASP N N 26 125.707 125.707 125.969 -0.262 18912 75 1 1 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.752 -0.061 18912 76 1 1 . 1 1 26 26 ASP H H 26 8.825 8.825 8.325 0.500 18912 77 1 1 . 1 1 27 27 LEU N N 27 117.682 117.682 117.500 0.182 18912 78 1 1 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.181 -0.018 18912 79 1 1 . 1 1 27 27 LEU H H 27 8.238 8.238 8.397 -0.159 18912 80 1 1 . 1 1 28 28 SER N N 28 115.328 115.328 111.895 3.433 18912 81 1 1 . 1 1 28 28 SER HA H 28 4.550 4.550 4.444 0.106 18912 82 1 1 . 1 1 28 28 SER H H 28 8.413 8.413 8.521 -0.108 18912 83 1 1 . 1 1 29 29 GLY N N 29 110.481 110.481 110.702 -0.221 18912 84 1 1 . 1 1 29 29 GLY H H 29 8.296 8.296 7.640 0.656 18912 85 1 1 . 1 1 30 30 ARG N N 30 123.895 123.895 118.482 5.413 18912 86 1 1 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.689 -0.421 18912 87 1 1 . 1 1 30 30 ARG H H 30 8.180 8.180 9.042 -0.862 18912 88 1 1 . 1 1 31 31 CYS N N 31 124.749 124.749 120.132 4.617 18912 89 1 1 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.267 -0.429 18912 90 1 1 . 1 1 31 31 CYS H H 31 9.030 9.030 8.525 0.505 18912 91 1 1 . 1 1 32 32 VAL N N 32 125.179 125.179 127.263 -2.084 18912 92 1 1 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.727 0.329 18912 93 1 1 . 1 1 32 32 VAL H H 32 8.634 8.634 9.275 -0.641 18912 94 1 1 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.617 0.488 18912 95 1 1 . 1 1 34 34 TYR N N 34 125.935 125.935 126.992 -1.057 18912 96 1 1 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.344 0.075 18912 97 1 1 . 1 1 34 34 TYR H H 34 8.900 8.900 9.301 -0.401 18912 98 1 1 . 1 1 35 35 VAL N N 35 128.155 128.155 126.935 1.220 18912 99 1 1 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.901 -0.722 18912 100 1 1 . 1 1 35 35 VAL H H 35 7.347 7.347 8.000 -0.653 18912 101 1 1 . 1 1 36 36 ASP N N 36 125.146 125.146 123.942 1.204 18912 102 1 1 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.855 -0.500 18912 103 1 1 . 1 1 36 36 ASP H H 36 8.367 8.367 7.900 0.467 18912 104 1 1 . 1 1 37 37 ALA N N 37 119.166 119.166 121.731 -2.565 18912 105 1 1 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.159 -0.032 18912 106 1 1 . 1 1 37 37 ALA H H 37 8.215 8.215 8.680 -0.465 18912 107 1 1 . 1 1 38 38 GLU N N 38 117.714 117.714 116.632 1.082 18912 108 1 1 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.391 -0.014 18912 109 1 1 . 1 1 38 38 GLU H H 38 8.253 8.253 7.909 0.344 18912 110 1 1 . 1 1 39 39 GLN N N 39 112.433 112.433 113.829 -1.396 18912 111 1 1 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.920 -0.346 18912 112 1 1 . 1 1 39 39 GLN H H 39 8.145 8.145 8.048 0.097 18912 113 1 1 . 1 1 40 40 LYS N N 40 120.092 120.092 119.739 0.353 18912 114 1 1 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.177 0.325 18912 115 1 1 . 1 1 40 40 LYS H H 40 8.436 8.436 8.077 0.359 18912 116 1 1 . 1 1 41 41 ASN N N 41 115.767 115.767 119.532 -3.765 18912 117 1 1 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.097 -0.172 18912 118 1 1 . 1 1 41 41 ASN H H 41 8.151 8.151 8.356 -0.205 18912 119 1 1 . 1 1 42 42 LEU N N 42 121.155 121.155 121.422 -0.267 18912 120 1 1 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.705 -0.385 18912 121 1 1 . 1 1 42 42 LEU H H 42 9.130 9.130 8.397 0.733 18912 122 1 1 . 1 1 43 43 PHE N N 43 120.509 120.509 124.547 -4.038 18912 123 1 1 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.844 0.621 18912 124 1 1 . 1 1 43 43 PHE H H 43 8.406 8.406 8.280 0.126 18912 125 1 1 . 1 1 44 44 LEU N N 44 120.978 120.978 126.839 -5.861 18912 126 1 1 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.081 0.197 18912 127 1 1 . 1 1 44 44 LEU H H 44 8.427 8.427 8.664 -0.237 18912 128 1 1 . 1 1 45 45 ARG N N 45 120.074 120.074 118.480 1.594 18912 129 1 1 . 1 1 45 45 ARG HA H 45 4.044 4.044 3.894 0.150 18912 130 1 1 . 1 1 45 45 ARG H H 45 8.291 8.291 8.015 0.276 18912 131 1 1 . 1 1 46 46 LYS N N 46 121.707 121.707 119.582 2.125 18912 132 1 1 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.557 -0.749 18912 133 1 1 . 1 1 46 46 LYS H H 46 8.110 8.110 8.031 0.079 18912 134 1 1 . 1 1 47 47 GLY N N 47 114.992 114.992 110.019 4.973 18912 135 1 1 . 1 1 47 47 GLY H H 47 9.514 9.514 9.155 0.359 18912 136 1 1 . 1 1 48 48 LYS N N 48 122.565 122.565 122.221 0.344 18912 137 1 1 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.666 -0.082 18912 138 1 1 . 1 1 48 48 LYS H H 48 7.855 7.855 7.721 0.134 18912 139 1 1 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.132 0.377 18912 140 1 1 . 1 1 50 50 CYS N N 50 118.602 118.602 126.021 -7.419 18912 141 1 1 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.796 0.143 18912 142 1 1 . 1 1 50 50 CYS H H 50 8.274 8.274 8.472 -0.198 18912 143 1 1 . 1 1 51 51 THR N N 51 112.483 112.483 118.116 -5.633 18912 144 1 1 . 1 1 51 51 THR HA H 51 3.798 3.798 4.016 -0.218 18912 145 1 1 . 1 1 51 51 THR H H 51 7.498 7.498 8.777 -1.279 18912 146 1 1 . 1 1 52 52 VAL N N 52 108.404 108.404 116.417 -8.013 18912 147 1 1 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.434 0.170 18912 148 1 1 . 1 1 52 52 VAL H H 52 6.672 6.672 7.642 -0.970 18912 149 1 1 . 1 1 53 53 GLY N N 53 109.222 109.222 108.637 0.585 18912 150 1 1 . 1 1 53 53 GLY H H 53 6.481 6.481 7.166 -0.685 18912 151 1 1 . 1 1 54 54 PHE N N 54 127.065 127.065 118.680 8.385 18912 152 1 1 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.599 -0.471 18912 153 1 1 . 1 1 54 54 PHE H H 54 9.314 9.314 9.369 -0.055 18912 154 1 1 . 1 1 55 55 CYS N N 55 121.901 121.901 120.802 1.099 18912 155 1 1 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.429 -0.308 18912 156 1 1 . 1 1 55 55 CYS H H 55 9.375 9.375 8.911 0.464 18912 157 1 1 . 1 1 56 56 ASP N N 56 127.032 127.032 124.942 2.090 18912 158 1 1 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.088 -0.303 18912 159 1 1 . 1 1 56 56 ASP H H 56 9.135 9.135 8.633 0.502 18912 160 1 1 . 1 1 57 57 MET N N 57 113.781 113.781 118.879 -5.098 18912 161 1 1 . 1 1 57 57 MET HA H 57 4.405 4.405 4.263 0.142 18912 162 1 1 . 1 1 57 57 MET H H 57 8.246 8.246 8.534 -0.288 18912 163 1 1 . 1 1 58 58 ASN N N 58 118.453 118.453 117.278 1.175 18912 164 1 1 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.492 0.159 18912 165 1 1 . 1 1 58 58 ASN H H 58 8.678 8.678 7.879 0.799 18912 166 1 1 . 1 1 59 59 GLY N N 59 107.488 107.488 107.642 -0.154 18912 167 1 1 . 1 1 59 59 GLY H H 59 7.820 7.820 8.005 -0.185 18912 168 1 1 . 1 1 60 60 LYS N N 60 123.743 123.743 117.647 6.096 18912 169 1 1 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.859 -0.445 18912 170 1 1 . 1 1 60 60 LYS H H 60 8.471 8.471 7.307 1.164 18912 171 1 1 . 1 1 61 61 CYS N N 61 124.711 124.711 122.227 2.484 18912 172 1 1 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.238 -0.639 18912 173 1 1 . 1 1 61 61 CYS H H 61 8.613 8.613 8.751 -0.138 18912 174 1 2 . 1 1 2 2 CYS N N 2 116.766 116.766 119.701 -2.935 18912 175 1 2 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.325 -0.754 18912 176 1 2 . 1 1 2 2 CYS H H 2 8.485 8.485 8.758 -0.273 18912 177 1 2 . 1 1 3 3 GLU N N 3 124.348 124.348 123.172 1.176 18912 178 1 2 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.053 -0.090 18912 179 1 2 . 1 1 3 3 GLU H H 3 9.345 9.345 8.572 0.773 18912 180 1 2 . 1 1 4 4 ARG N N 4 119.167 119.167 118.999 0.168 18912 181 1 2 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.132 -0.173 18912 182 1 2 . 1 1 4 4 ARG H H 4 8.390 8.390 8.298 0.092 18912 183 1 2 . 1 1 5 5 GLU N N 5 114.022 114.022 116.711 -2.689 18912 184 1 2 . 1 1 5 5 GLU HA H 5 4.231 4.231 3.985 0.246 18912 185 1 2 . 1 1 5 5 GLU H H 5 8.309 8.309 8.244 0.065 18912 186 1 2 . 1 1 6 6 GLN N N 6 113.489 113.489 115.040 -1.551 18912 187 1 2 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.511 0.034 18912 188 1 2 . 1 1 6 6 GLN H H 6 7.210 7.210 8.101 -0.891 18912 189 1 2 . 1 1 7 7 GLN N N 7 114.953 114.953 113.629 1.324 18912 190 1 2 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.098 -0.008 18912 191 1 2 . 1 1 7 7 GLN H H 7 7.454 7.454 7.925 -0.471 18912 192 1 2 . 1 1 8 8 LEU N N 8 118.695 118.695 119.027 -0.332 18912 193 1 2 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.488 0.225 18912 194 1 2 . 1 1 8 8 LEU H H 8 7.414 7.414 7.312 0.102 18912 195 1 2 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.288 0.020 18912 196 1 2 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.915 -0.288 18912 197 1 2 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.057 0.721 18912 198 1 2 . 1 1 9 9 GLU H H 9 8.250 8.250 8.767 -0.517 18912 199 1 2 . 1 1 10 10 SER N N 10 120.943 120.943 117.316 3.627 18912 200 1 2 . 1 1 10 10 SER HA H 10 5.063 5.063 4.747 0.316 18912 201 1 2 . 1 1 10 10 SER H H 10 8.886 8.886 8.351 0.535 18912 202 1 2 . 1 1 11 11 CYS N N 11 118.295 118.295 118.932 -0.637 18912 203 1 2 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.673 0.170 18912 204 1 2 . 1 1 11 11 CYS H H 11 8.094 8.094 8.566 -0.472 18912 205 1 2 . 1 1 12 12 ALA N N 12 123.087 123.087 121.892 1.195 18912 206 1 2 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.795 -0.001 18912 207 1 2 . 1 1 12 12 ALA H H 12 8.419 8.419 8.341 0.078 18912 208 1 2 . 1 1 13 13 CYS N N 13 123.511 123.511 122.427 1.084 18912 209 1 2 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.457 -0.254 18912 210 1 2 . 1 1 13 13 CYS H H 13 9.174 9.174 8.407 0.767 18912 211 1 2 . 1 1 14 14 ASN N N 14 118.292 118.292 121.450 -3.158 18912 212 1 2 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.470 0.043 18912 213 1 2 . 1 1 14 14 ASN H H 14 8.290 8.290 8.707 -0.417 18912 214 1 2 . 1 1 15 15 GLU N N 15 119.065 119.065 118.089 0.976 18912 215 1 2 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.282 0.190 18912 216 1 2 . 1 1 15 15 GLU H H 15 8.197 8.197 7.912 0.285 18912 217 1 2 . 1 1 16 16 THR HA H 16 3.823 3.823 4.048 -0.225 18912 218 1 2 . 1 1 16 16 THR CA C 16 67.200 67.200 66.831 0.369 18912 219 1 2 . 1 1 16 16 THR CB C 16 68.382 68.382 68.845 -0.463 18912 220 1 2 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.480 0.002 18912 221 1 2 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.166 -0.683 18912 222 1 2 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.082 -1.078 18912 223 1 2 . 1 1 18 18 ASN N N 18 114.925 114.925 116.991 -2.066 18912 224 1 2 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.565 0.409 18912 225 1 2 . 1 1 18 18 ASN H H 18 7.606 7.606 9.102 -1.496 18912 226 1 2 . 1 1 19 19 SER N N 19 115.866 115.866 115.078 0.788 18912 227 1 2 . 1 1 19 19 SER HA H 19 4.209 4.209 4.449 -0.240 18912 228 1 2 . 1 1 19 19 SER H H 19 7.702 7.702 7.855 -0.153 18912 229 1 2 . 1 1 20 20 CYS N N 20 118.266 118.266 120.548 -2.282 18912 230 1 2 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.688 0.290 18912 231 1 2 . 1 1 20 20 CYS H H 20 8.811 8.811 7.604 1.207 18912 232 1 2 . 1 1 21 21 LYS N N 21 120.561 120.561 119.583 0.978 18912 233 1 2 . 1 1 21 21 LYS HA H 21 5.112 5.112 5.012 0.100 18912 234 1 2 . 1 1 21 21 LYS H H 21 7.715 7.715 7.765 -0.050 18912 235 1 2 . 1 1 22 22 VAL N N 22 119.640 119.640 123.662 -4.022 18912 236 1 2 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.838 -0.083 18912 237 1 2 . 1 1 22 22 VAL H H 22 8.422 8.422 8.578 -0.156 18912 238 1 2 . 1 1 23 23 CYS N N 23 129.569 129.569 126.020 3.549 18912 239 1 2 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.265 0.136 18912 240 1 2 . 1 1 23 23 CYS H H 23 9.030 9.030 8.670 0.360 18912 241 1 2 . 1 1 24 24 CYS N N 24 116.307 116.307 120.836 -4.529 18912 242 1 2 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.435 -0.045 18912 243 1 2 . 1 1 24 24 CYS H H 24 8.746 8.746 9.380 -0.634 18912 244 1 2 . 1 1 25 25 ARG N N 25 125.239 125.239 120.096 5.143 18912 245 1 2 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.396 -0.463 18912 246 1 2 . 1 1 25 25 ARG H H 25 9.219 9.219 8.651 0.568 18912 247 1 2 . 1 1 26 26 ASP N N 26 125.707 125.707 123.151 2.556 18912 248 1 2 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.980 -0.289 18912 249 1 2 . 1 1 26 26 ASP H H 26 8.825 8.825 8.655 0.170 18912 250 1 2 . 1 1 27 27 LEU N N 27 117.682 117.682 115.116 2.566 18912 251 1 2 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.323 -0.160 18912 252 1 2 . 1 1 27 27 LEU H H 27 8.238 8.238 8.296 -0.058 18912 253 1 2 . 1 1 28 28 SER N N 28 115.328 115.328 115.140 0.188 18912 254 1 2 . 1 1 28 28 SER HA H 28 4.550 4.550 4.475 0.075 18912 255 1 2 . 1 1 28 28 SER H H 28 8.413 8.413 8.653 -0.240 18912 256 1 2 . 1 1 29 29 GLY N N 29 110.481 110.481 109.509 0.972 18912 257 1 2 . 1 1 29 29 GLY H H 29 8.296 8.296 7.742 0.554 18912 258 1 2 . 1 1 30 30 ARG N N 30 123.895 123.895 119.977 3.918 18912 259 1 2 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.510 -0.242 18912 260 1 2 . 1 1 30 30 ARG H H 30 8.180 8.180 8.729 -0.549 18912 261 1 2 . 1 1 31 31 CYS N N 31 124.749 124.749 121.840 2.909 18912 262 1 2 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.213 -0.375 18912 263 1 2 . 1 1 31 31 CYS H H 31 9.030 9.030 8.723 0.307 18912 264 1 2 . 1 1 32 32 VAL N N 32 125.179 125.179 122.667 2.512 18912 265 1 2 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.775 0.281 18912 266 1 2 . 1 1 32 32 VAL H H 32 8.634 8.634 8.795 -0.161 18912 267 1 2 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.732 0.373 18912 268 1 2 . 1 1 34 34 TYR N N 34 125.935 125.935 126.407 -0.472 18912 269 1 2 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.390 0.029 18912 270 1 2 . 1 1 34 34 TYR H H 34 8.900 8.900 9.175 -0.275 18912 271 1 2 . 1 1 35 35 VAL N N 35 128.155 128.155 125.943 2.212 18912 272 1 2 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.988 -0.809 18912 273 1 2 . 1 1 35 35 VAL H H 35 7.347 7.347 8.140 -0.793 18912 274 1 2 . 1 1 36 36 ASP N N 36 125.146 125.146 122.295 2.851 18912 275 1 2 . 1 1 36 36 ASP HA H 36 4.355 4.355 5.125 -0.770 18912 276 1 2 . 1 1 36 36 ASP H H 36 8.367 8.367 7.931 0.436 18912 277 1 2 . 1 1 37 37 ALA N N 37 119.166 119.166 121.292 -2.126 18912 278 1 2 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.176 -0.049 18912 279 1 2 . 1 1 37 37 ALA H H 37 8.215 8.215 8.734 -0.519 18912 280 1 2 . 1 1 38 38 GLU N N 38 117.714 117.714 116.758 0.956 18912 281 1 2 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.316 0.062 18912 282 1 2 . 1 1 38 38 GLU H H 38 8.253 8.253 7.919 0.334 18912 283 1 2 . 1 1 39 39 GLN N N 39 112.433 112.433 115.197 -2.764 18912 284 1 2 . 1 1 39 39 GLN HA H 39 3.574 3.574 4.040 -0.466 18912 285 1 2 . 1 1 39 39 GLN H H 39 8.145 8.145 8.165 -0.020 18912 286 1 2 . 1 1 40 40 LYS N N 40 120.092 120.092 118.277 1.815 18912 287 1 2 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.364 0.138 18912 288 1 2 . 1 1 40 40 LYS H H 40 8.436 8.436 7.549 0.887 18912 289 1 2 . 1 1 41 41 ASN N N 41 115.767 115.767 119.547 -3.780 18912 290 1 2 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.125 -0.200 18912 291 1 2 . 1 1 41 41 ASN H H 41 8.151 8.151 8.433 -0.282 18912 292 1 2 . 1 1 42 42 LEU N N 42 121.155 121.155 121.990 -0.835 18912 293 1 2 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.532 -0.212 18912 294 1 2 . 1 1 42 42 LEU H H 42 9.130 9.130 8.513 0.617 18912 295 1 2 . 1 1 43 43 PHE N N 43 120.509 120.509 121.985 -1.476 18912 296 1 2 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.917 0.548 18912 297 1 2 . 1 1 43 43 PHE H H 43 8.406 8.406 8.064 0.342 18912 298 1 2 . 1 1 44 44 LEU N N 44 120.978 120.978 122.345 -1.367 18912 299 1 2 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.065 0.213 18912 300 1 2 . 1 1 44 44 LEU H H 44 8.427 8.427 8.788 -0.361 18912 301 1 2 . 1 1 45 45 ARG N N 45 120.074 120.074 119.442 0.632 18912 302 1 2 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.384 -0.340 18912 303 1 2 . 1 1 45 45 ARG H H 45 8.291 8.291 8.453 -0.162 18912 304 1 2 . 1 1 46 46 LYS N N 46 121.707 121.707 118.447 3.260 18912 305 1 2 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.471 -0.663 18912 306 1 2 . 1 1 46 46 LYS H H 46 8.110 8.110 8.315 -0.205 18912 307 1 2 . 1 1 47 47 GLY N N 47 114.992 114.992 113.023 1.969 18912 308 1 2 . 1 1 47 47 GLY H H 47 9.514 9.514 9.262 0.252 18912 309 1 2 . 1 1 48 48 LYS N N 48 122.565 122.565 121.572 0.993 18912 310 1 2 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.948 -0.364 18912 311 1 2 . 1 1 48 48 LYS H H 48 7.855 7.855 7.722 0.133 18912 312 1 2 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.768 -0.259 18912 313 1 2 . 1 1 50 50 CYS N N 50 118.602 118.602 121.997 -3.395 18912 314 1 2 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.885 0.054 18912 315 1 2 . 1 1 50 50 CYS H H 50 8.274 8.274 8.539 -0.265 18912 316 1 2 . 1 1 51 51 THR N N 51 112.483 112.483 115.288 -2.805 18912 317 1 2 . 1 1 51 51 THR HA H 51 3.798 3.798 4.053 -0.255 18912 318 1 2 . 1 1 51 51 THR H H 51 7.498 7.498 8.191 -0.693 18912 319 1 2 . 1 1 52 52 VAL N N 52 108.404 108.404 118.681 -10.277 18912 320 1 2 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.135 0.468 18912 321 1 2 . 1 1 52 52 VAL H H 52 6.672 6.672 7.983 -1.311 18912 322 1 2 . 1 1 53 53 GLY N N 53 109.222 109.222 107.227 1.995 18912 323 1 2 . 1 1 53 53 GLY H H 53 6.481 6.481 7.426 -0.945 18912 324 1 2 . 1 1 54 54 PHE N N 54 127.065 127.065 119.673 7.392 18912 325 1 2 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.472 -0.344 18912 326 1 2 . 1 1 54 54 PHE H H 54 9.314 9.314 8.985 0.329 18912 327 1 2 . 1 1 55 55 CYS N N 55 121.901 121.901 121.013 0.888 18912 328 1 2 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.316 -0.195 18912 329 1 2 . 1 1 55 55 CYS H H 55 9.375 9.375 9.211 0.164 18912 330 1 2 . 1 1 56 56 ASP N N 56 127.032 127.032 124.024 3.008 18912 331 1 2 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.051 -0.266 18912 332 1 2 . 1 1 56 56 ASP H H 56 9.135 9.135 9.044 0.091 18912 333 1 2 . 1 1 57 57 MET N N 57 113.781 113.781 117.770 -3.989 18912 334 1 2 . 1 1 57 57 MET HA H 57 4.405 4.405 4.674 -0.269 18912 335 1 2 . 1 1 57 57 MET H H 57 8.246 8.246 8.554 -0.308 18912 336 1 2 . 1 1 58 58 ASN N N 58 118.453 118.453 116.196 2.257 18912 337 1 2 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.456 0.195 18912 338 1 2 . 1 1 58 58 ASN H H 58 8.678 8.678 7.855 0.823 18912 339 1 2 . 1 1 59 59 GLY N N 59 107.488 107.488 107.876 -0.388 18912 340 1 2 . 1 1 59 59 GLY H H 59 7.820 7.820 8.076 -0.256 18912 341 1 2 . 1 1 60 60 LYS N N 60 123.743 123.743 119.218 4.525 18912 342 1 2 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.800 -0.386 18912 343 1 2 . 1 1 60 60 LYS H H 60 8.471 8.471 7.689 0.782 18912 344 1 2 . 1 1 61 61 CYS N N 61 124.711 124.711 121.587 3.124 18912 345 1 2 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.142 -0.543 18912 346 1 2 . 1 1 61 61 CYS H H 61 8.613 8.613 8.908 -0.295 18912 347 1 3 . 1 1 2 2 CYS N N 2 116.766 116.766 118.346 -1.580 18912 348 1 3 . 1 1 2 2 CYS HA H 2 3.571 3.571 3.908 -0.337 18912 349 1 3 . 1 1 2 2 CYS H H 2 8.485 8.485 9.223 -0.738 18912 350 1 3 . 1 1 3 3 GLU N N 3 124.348 124.348 120.637 3.711 18912 351 1 3 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.414 -0.451 18912 352 1 3 . 1 1 3 3 GLU H H 3 9.345 9.345 8.084 1.261 18912 353 1 3 . 1 1 4 4 ARG N N 4 119.167 119.167 118.985 0.182 18912 354 1 3 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.143 -0.184 18912 355 1 3 . 1 1 4 4 ARG H H 4 8.390 8.390 8.345 0.045 18912 356 1 3 . 1 1 5 5 GLU N N 5 114.022 114.022 118.430 -4.408 18912 357 1 3 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.151 0.080 18912 358 1 3 . 1 1 5 5 GLU H H 5 8.309 8.309 8.460 -0.151 18912 359 1 3 . 1 1 6 6 GLN N N 6 113.489 113.489 117.005 -3.516 18912 360 1 3 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.532 0.013 18912 361 1 3 . 1 1 6 6 GLN H H 6 7.210 7.210 7.561 -0.351 18912 362 1 3 . 1 1 7 7 GLN N N 7 114.953 114.953 112.998 1.955 18912 363 1 3 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.048 0.042 18912 364 1 3 . 1 1 7 7 GLN H H 7 7.454 7.454 7.899 -0.445 18912 365 1 3 . 1 1 8 8 LEU N N 8 118.695 118.695 118.300 0.395 18912 366 1 3 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.437 0.276 18912 367 1 3 . 1 1 8 8 LEU H H 8 7.414 7.414 8.031 -0.617 18912 368 1 3 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.620 -0.312 18912 369 1 3 . 1 1 9 9 GLU CA C 9 55.627 55.627 54.066 1.561 18912 370 1 3 . 1 1 9 9 GLU CB C 9 31.778 31.778 33.516 -1.738 18912 371 1 3 . 1 1 9 9 GLU H H 9 8.250 8.250 8.141 0.109 18912 372 1 3 . 1 1 10 10 SER N N 10 120.943 120.943 115.899 5.044 18912 373 1 3 . 1 1 10 10 SER HA H 10 5.063 5.063 4.558 0.505 18912 374 1 3 . 1 1 10 10 SER H H 10 8.886 8.886 8.366 0.520 18912 375 1 3 . 1 1 11 11 CYS N N 11 118.295 118.295 117.493 0.802 18912 376 1 3 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.587 0.256 18912 377 1 3 . 1 1 11 11 CYS H H 11 8.094 8.094 8.567 -0.473 18912 378 1 3 . 1 1 12 12 ALA N N 12 123.087 123.087 122.033 1.054 18912 379 1 3 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.761 0.033 18912 380 1 3 . 1 1 12 12 ALA H H 12 8.419 8.419 8.320 0.099 18912 381 1 3 . 1 1 13 13 CYS N N 13 123.511 123.511 122.644 0.867 18912 382 1 3 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.426 -0.223 18912 383 1 3 . 1 1 13 13 CYS H H 13 9.174 9.174 8.339 0.835 18912 384 1 3 . 1 1 14 14 ASN N N 14 118.292 118.292 120.865 -2.573 18912 385 1 3 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.529 -0.016 18912 386 1 3 . 1 1 14 14 ASN H H 14 8.290 8.290 8.745 -0.455 18912 387 1 3 . 1 1 15 15 GLU N N 15 119.065 119.065 118.774 0.291 18912 388 1 3 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.291 0.181 18912 389 1 3 . 1 1 15 15 GLU H H 15 8.197 8.197 7.883 0.314 18912 390 1 3 . 1 1 16 16 THR HA H 16 3.823 3.823 4.010 -0.187 18912 391 1 3 . 1 1 16 16 THR CA C 16 67.200 67.200 66.951 0.249 18912 392 1 3 . 1 1 16 16 THR CB C 16 68.382 68.382 68.874 -0.492 18912 393 1 3 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.516 -0.034 18912 394 1 3 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.081 -0.598 18912 395 1 3 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.045 -1.041 18912 396 1 3 . 1 1 18 18 ASN N N 18 114.925 114.925 117.591 -2.666 18912 397 1 3 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.605 0.369 18912 398 1 3 . 1 1 18 18 ASN H H 18 7.606 7.606 8.986 -1.380 18912 399 1 3 . 1 1 19 19 SER N N 19 115.866 115.866 114.019 1.847 18912 400 1 3 . 1 1 19 19 SER HA H 19 4.209 4.209 4.450 -0.241 18912 401 1 3 . 1 1 19 19 SER H H 19 7.702 7.702 7.638 0.064 18912 402 1 3 . 1 1 20 20 CYS N N 20 118.266 118.266 120.375 -2.109 18912 403 1 3 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.640 0.338 18912 404 1 3 . 1 1 20 20 CYS H H 20 8.811 8.811 7.612 1.199 18912 405 1 3 . 1 1 21 21 LYS N N 21 120.561 120.561 119.401 1.160 18912 406 1 3 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.954 0.158 18912 407 1 3 . 1 1 21 21 LYS H H 21 7.715 7.715 7.766 -0.051 18912 408 1 3 . 1 1 22 22 VAL N N 22 119.640 119.640 122.519 -2.879 18912 409 1 3 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.945 -0.190 18912 410 1 3 . 1 1 22 22 VAL H H 22 8.422 8.422 8.401 0.021 18912 411 1 3 . 1 1 23 23 CYS N N 23 129.569 129.569 126.404 3.165 18912 412 1 3 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.182 0.219 18912 413 1 3 . 1 1 23 23 CYS H H 23 9.030 9.030 8.517 0.513 18912 414 1 3 . 1 1 24 24 CYS N N 24 116.307 116.307 120.633 -4.326 18912 415 1 3 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.021 0.369 18912 416 1 3 . 1 1 24 24 CYS H H 24 8.746 8.746 9.479 -0.733 18912 417 1 3 . 1 1 25 25 ARG N N 25 125.239 125.239 120.112 5.127 18912 418 1 3 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.567 -0.634 18912 419 1 3 . 1 1 25 25 ARG H H 25 9.219 9.219 8.864 0.355 18912 420 1 3 . 1 1 26 26 ASP N N 26 125.707 125.707 121.683 4.024 18912 421 1 3 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.896 -0.205 18912 422 1 3 . 1 1 26 26 ASP H H 26 8.825 8.825 8.378 0.447 18912 423 1 3 . 1 1 27 27 LEU N N 27 117.682 117.682 119.564 -1.882 18912 424 1 3 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.254 -0.091 18912 425 1 3 . 1 1 27 27 LEU H H 27 8.238 8.238 8.456 -0.218 18912 426 1 3 . 1 1 28 28 SER N N 28 115.328 115.328 114.048 1.280 18912 427 1 3 . 1 1 28 28 SER HA H 28 4.550 4.550 4.477 0.073 18912 428 1 3 . 1 1 28 28 SER H H 28 8.413 8.413 8.534 -0.121 18912 429 1 3 . 1 1 29 29 GLY N N 29 110.481 110.481 110.401 0.080 18912 430 1 3 . 1 1 29 29 GLY H H 29 8.296 8.296 7.916 0.380 18912 431 1 3 . 1 1 30 30 ARG N N 30 123.895 123.895 119.751 4.144 18912 432 1 3 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.562 -0.294 18912 433 1 3 . 1 1 30 30 ARG H H 30 8.180 8.180 8.715 -0.535 18912 434 1 3 . 1 1 31 31 CYS N N 31 124.749 124.749 120.644 4.105 18912 435 1 3 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.266 -0.428 18912 436 1 3 . 1 1 31 31 CYS H H 31 9.030 9.030 8.699 0.331 18912 437 1 3 . 1 1 32 32 VAL N N 32 125.179 125.179 121.228 3.951 18912 438 1 3 . 1 1 32 32 VAL HA H 32 5.056 5.056 5.000 0.056 18912 439 1 3 . 1 1 32 32 VAL H H 32 8.634 8.634 9.105 -0.471 18912 440 1 3 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.770 0.335 18912 441 1 3 . 1 1 34 34 TYR N N 34 125.935 125.935 126.390 -0.455 18912 442 1 3 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.551 -0.132 18912 443 1 3 . 1 1 34 34 TYR H H 34 8.900 8.900 9.350 -0.450 18912 444 1 3 . 1 1 35 35 VAL N N 35 128.155 128.155 127.032 1.123 18912 445 1 3 . 1 1 35 35 VAL HA H 35 4.179 4.179 5.042 -0.863 18912 446 1 3 . 1 1 35 35 VAL H H 35 7.347 7.347 8.056 -0.709 18912 447 1 3 . 1 1 36 36 ASP N N 36 125.146 125.146 125.070 0.076 18912 448 1 3 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.888 -0.533 18912 449 1 3 . 1 1 36 36 ASP H H 36 8.367 8.367 8.032 0.335 18912 450 1 3 . 1 1 37 37 ALA N N 37 119.166 119.166 120.611 -1.445 18912 451 1 3 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.254 -0.127 18912 452 1 3 . 1 1 37 37 ALA H H 37 8.215 8.215 8.575 -0.360 18912 453 1 3 . 1 1 38 38 GLU N N 38 117.714 117.714 116.882 0.832 18912 454 1 3 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.339 0.038 18912 455 1 3 . 1 1 38 38 GLU H H 38 8.253 8.253 8.036 0.217 18912 456 1 3 . 1 1 39 39 GLN N N 39 112.433 112.433 114.365 -1.932 18912 457 1 3 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.923 -0.349 18912 458 1 3 . 1 1 39 39 GLN H H 39 8.145 8.145 8.140 0.005 18912 459 1 3 . 1 1 40 40 LYS N N 40 120.092 120.092 118.224 1.868 18912 460 1 3 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.391 0.111 18912 461 1 3 . 1 1 40 40 LYS H H 40 8.436 8.436 7.624 0.812 18912 462 1 3 . 1 1 41 41 ASN N N 41 115.767 115.767 120.788 -5.021 18912 463 1 3 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.649 -0.724 18912 464 1 3 . 1 1 41 41 ASN H H 41 8.151 8.151 8.445 -0.294 18912 465 1 3 . 1 1 42 42 LEU N N 42 121.155 121.155 120.103 1.052 18912 466 1 3 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.737 -0.417 18912 467 1 3 . 1 1 42 42 LEU H H 42 9.130 9.130 8.618 0.512 18912 468 1 3 . 1 1 43 43 PHE N N 43 120.509 120.509 122.488 -1.979 18912 469 1 3 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.786 0.679 18912 470 1 3 . 1 1 43 43 PHE H H 43 8.406 8.406 8.631 -0.225 18912 471 1 3 . 1 1 44 44 LEU N N 44 120.978 120.978 125.345 -4.367 18912 472 1 3 . 1 1 44 44 LEU HA H 44 4.278 4.278 3.799 0.479 18912 473 1 3 . 1 1 44 44 LEU H H 44 8.427 8.427 8.053 0.374 18912 474 1 3 . 1 1 45 45 ARG N N 45 120.074 120.074 118.742 1.332 18912 475 1 3 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.096 -0.052 18912 476 1 3 . 1 1 45 45 ARG H H 45 8.291 8.291 8.072 0.219 18912 477 1 3 . 1 1 46 46 LYS N N 46 121.707 121.707 122.233 -0.526 18912 478 1 3 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.441 -0.633 18912 479 1 3 . 1 1 46 46 LYS H H 46 8.110 8.110 8.544 -0.434 18912 480 1 3 . 1 1 47 47 GLY N N 47 114.992 114.992 116.146 -1.154 18912 481 1 3 . 1 1 47 47 GLY H H 47 9.514 9.514 9.181 0.333 18912 482 1 3 . 1 1 48 48 LYS N N 48 122.565 122.565 119.892 2.673 18912 483 1 3 . 1 1 48 48 LYS HA H 48 4.584 4.584 5.028 -0.444 18912 484 1 3 . 1 1 48 48 LYS H H 48 7.855 7.855 7.609 0.246 18912 485 1 3 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.707 -0.198 18912 486 1 3 . 1 1 50 50 CYS N N 50 118.602 118.602 122.404 -3.802 18912 487 1 3 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.862 0.077 18912 488 1 3 . 1 1 50 50 CYS H H 50 8.274 8.274 8.602 -0.328 18912 489 1 3 . 1 1 51 51 THR N N 51 112.483 112.483 115.434 -2.951 18912 490 1 3 . 1 1 51 51 THR HA H 51 3.798 3.798 4.064 -0.266 18912 491 1 3 . 1 1 51 51 THR H H 51 7.498 7.498 8.281 -0.783 18912 492 1 3 . 1 1 52 52 VAL N N 52 108.404 108.404 117.748 -9.344 18912 493 1 3 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.234 0.369 18912 494 1 3 . 1 1 52 52 VAL H H 52 6.672 6.672 8.023 -1.351 18912 495 1 3 . 1 1 53 53 GLY N N 53 109.222 109.222 108.269 0.953 18912 496 1 3 . 1 1 53 53 GLY H H 53 6.481 6.481 7.212 -0.731 18912 497 1 3 . 1 1 54 54 PHE N N 54 127.065 127.065 118.848 8.217 18912 498 1 3 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.406 -0.278 18912 499 1 3 . 1 1 54 54 PHE H H 54 9.314 9.314 8.866 0.448 18912 500 1 3 . 1 1 55 55 CYS N N 55 121.901 121.901 123.277 -1.376 18912 501 1 3 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.304 -0.183 18912 502 1 3 . 1 1 55 55 CYS H H 55 9.375 9.375 9.080 0.295 18912 503 1 3 . 1 1 56 56 ASP N N 56 127.032 127.032 128.201 -1.169 18912 504 1 3 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.071 -0.286 18912 505 1 3 . 1 1 56 56 ASP H H 56 9.135 9.135 8.962 0.173 18912 506 1 3 . 1 1 57 57 MET N N 57 113.781 113.781 119.928 -6.147 18912 507 1 3 . 1 1 57 57 MET HA H 57 4.405 4.405 4.297 0.108 18912 508 1 3 . 1 1 57 57 MET H H 57 8.246 8.246 8.605 -0.359 18912 509 1 3 . 1 1 58 58 ASN N N 58 118.453 118.453 117.028 1.425 18912 510 1 3 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.549 0.102 18912 511 1 3 . 1 1 58 58 ASN H H 58 8.678 8.678 7.824 0.854 18912 512 1 3 . 1 1 59 59 GLY N N 59 107.488 107.488 107.922 -0.434 18912 513 1 3 . 1 1 59 59 GLY H H 59 7.820 7.820 8.380 -0.560 18912 514 1 3 . 1 1 60 60 LYS N N 60 123.743 123.743 117.646 6.097 18912 515 1 3 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.849 -0.435 18912 516 1 3 . 1 1 60 60 LYS H H 60 8.471 8.471 7.463 1.008 18912 517 1 3 . 1 1 61 61 CYS N N 61 124.711 124.711 119.867 4.844 18912 518 1 3 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.693 -1.094 18912 519 1 3 . 1 1 61 61 CYS H H 61 8.613 8.613 8.903 -0.290 18912 520 1 4 . 1 1 2 2 CYS N N 2 116.766 116.766 120.661 -3.895 18912 521 1 4 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.295 -0.724 18912 522 1 4 . 1 1 2 2 CYS H H 2 8.485 8.485 7.575 0.910 18912 523 1 4 . 1 1 3 3 GLU N N 3 124.348 124.348 124.214 0.134 18912 524 1 4 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.194 -0.231 18912 525 1 4 . 1 1 3 3 GLU H H 3 9.345 9.345 8.183 1.162 18912 526 1 4 . 1 1 4 4 ARG N N 4 119.167 119.167 119.161 0.006 18912 527 1 4 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.288 -0.329 18912 528 1 4 . 1 1 4 4 ARG H H 4 8.390 8.390 8.221 0.169 18912 529 1 4 . 1 1 5 5 GLU N N 5 114.022 114.022 119.287 -5.265 18912 530 1 4 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.094 0.137 18912 531 1 4 . 1 1 5 5 GLU H H 5 8.309 8.309 8.335 -0.026 18912 532 1 4 . 1 1 6 6 GLN N N 6 113.489 113.489 115.947 -2.458 18912 533 1 4 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.403 0.142 18912 534 1 4 . 1 1 6 6 GLN H H 6 7.210 7.210 8.008 -0.798 18912 535 1 4 . 1 1 7 7 GLN N N 7 114.953 114.953 112.916 2.037 18912 536 1 4 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.043 0.047 18912 537 1 4 . 1 1 7 7 GLN H H 7 7.454 7.454 7.989 -0.535 18912 538 1 4 . 1 1 8 8 LEU N N 8 118.695 118.695 119.991 -1.296 18912 539 1 4 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.333 0.380 18912 540 1 4 . 1 1 8 8 LEU H H 8 7.414 7.414 7.183 0.231 18912 541 1 4 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.184 0.124 18912 542 1 4 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.496 0.131 18912 543 1 4 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.373 0.405 18912 544 1 4 . 1 1 9 9 GLU H H 9 8.250 8.250 8.772 -0.522 18912 545 1 4 . 1 1 10 10 SER N N 10 120.943 120.943 117.767 3.176 18912 546 1 4 . 1 1 10 10 SER HA H 10 5.063 5.063 4.438 0.625 18912 547 1 4 . 1 1 10 10 SER H H 10 8.886 8.886 8.304 0.582 18912 548 1 4 . 1 1 11 11 CYS N N 11 118.295 118.295 118.681 -0.386 18912 549 1 4 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.670 0.173 18912 550 1 4 . 1 1 11 11 CYS H H 11 8.094 8.094 8.338 -0.244 18912 551 1 4 . 1 1 12 12 ALA N N 12 123.087 123.087 122.487 0.600 18912 552 1 4 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.563 0.231 18912 553 1 4 . 1 1 12 12 ALA H H 12 8.419 8.419 8.311 0.108 18912 554 1 4 . 1 1 13 13 CYS N N 13 123.511 123.511 123.287 0.224 18912 555 1 4 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.378 -0.175 18912 556 1 4 . 1 1 13 13 CYS H H 13 9.174 9.174 8.313 0.861 18912 557 1 4 . 1 1 14 14 ASN N N 14 118.292 118.292 121.149 -2.857 18912 558 1 4 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.360 0.153 18912 559 1 4 . 1 1 14 14 ASN H H 14 8.290 8.290 8.598 -0.308 18912 560 1 4 . 1 1 15 15 GLU N N 15 119.065 119.065 117.948 1.117 18912 561 1 4 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.287 0.185 18912 562 1 4 . 1 1 15 15 GLU H H 15 8.197 8.197 7.961 0.236 18912 563 1 4 . 1 1 16 16 THR HA H 16 3.823 3.823 3.954 -0.131 18912 564 1 4 . 1 1 16 16 THR CA C 16 67.200 67.200 66.935 0.265 18912 565 1 4 . 1 1 16 16 THR CB C 16 68.382 68.382 68.839 -0.457 18912 566 1 4 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.392 0.090 18912 567 1 4 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.957 -0.474 18912 568 1 4 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.919 -0.915 18912 569 1 4 . 1 1 18 18 ASN N N 18 114.925 114.925 117.079 -2.154 18912 570 1 4 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.469 0.505 18912 571 1 4 . 1 1 18 18 ASN H H 18 7.606 7.606 8.979 -1.373 18912 572 1 4 . 1 1 19 19 SER N N 19 115.866 115.866 115.038 0.828 18912 573 1 4 . 1 1 19 19 SER HA H 19 4.209 4.209 4.342 -0.133 18912 574 1 4 . 1 1 19 19 SER H H 19 7.702 7.702 7.572 0.130 18912 575 1 4 . 1 1 20 20 CYS N N 20 118.266 118.266 120.940 -2.674 18912 576 1 4 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.251 0.727 18912 577 1 4 . 1 1 20 20 CYS H H 20 8.811 8.811 7.853 0.958 18912 578 1 4 . 1 1 21 21 LYS N N 21 120.561 120.561 119.877 0.684 18912 579 1 4 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.537 0.575 18912 580 1 4 . 1 1 21 21 LYS H H 21 7.715 7.715 7.418 0.297 18912 581 1 4 . 1 1 22 22 VAL N N 22 119.640 119.640 124.506 -4.866 18912 582 1 4 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.988 -0.233 18912 583 1 4 . 1 1 22 22 VAL H H 22 8.422 8.422 8.200 0.222 18912 584 1 4 . 1 1 23 23 CYS N N 23 129.569 129.569 125.740 3.829 18912 585 1 4 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.328 0.073 18912 586 1 4 . 1 1 23 23 CYS H H 23 9.030 9.030 8.186 0.844 18912 587 1 4 . 1 1 24 24 CYS N N 24 116.307 116.307 121.348 -5.041 18912 588 1 4 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.246 0.144 18912 589 1 4 . 1 1 24 24 CYS H H 24 8.746 8.746 9.475 -0.729 18912 590 1 4 . 1 1 25 25 ARG N N 25 125.239 125.239 120.346 4.893 18912 591 1 4 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.474 -0.541 18912 592 1 4 . 1 1 25 25 ARG H H 25 9.219 9.219 8.846 0.373 18912 593 1 4 . 1 1 26 26 ASP N N 26 125.707 125.707 121.566 4.141 18912 594 1 4 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.898 -0.207 18912 595 1 4 . 1 1 26 26 ASP H H 26 8.825 8.825 8.397 0.428 18912 596 1 4 . 1 1 27 27 LEU N N 27 117.682 117.682 119.307 -1.625 18912 597 1 4 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.180 -0.017 18912 598 1 4 . 1 1 27 27 LEU H H 27 8.238 8.238 8.523 -0.285 18912 599 1 4 . 1 1 28 28 SER N N 28 115.328 115.328 113.953 1.375 18912 600 1 4 . 1 1 28 28 SER HA H 28 4.550 4.550 4.462 0.088 18912 601 1 4 . 1 1 28 28 SER H H 28 8.413 8.413 8.621 -0.208 18912 602 1 4 . 1 1 29 29 GLY N N 29 110.481 110.481 110.638 -0.157 18912 603 1 4 . 1 1 29 29 GLY H H 29 8.296 8.296 8.175 0.121 18912 604 1 4 . 1 1 30 30 ARG N N 30 123.895 123.895 120.126 3.769 18912 605 1 4 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.471 -0.203 18912 606 1 4 . 1 1 30 30 ARG H H 30 8.180 8.180 7.616 0.564 18912 607 1 4 . 1 1 31 31 CYS N N 31 124.749 124.749 122.565 2.184 18912 608 1 4 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.313 -0.475 18912 609 1 4 . 1 1 31 31 CYS H H 31 9.030 9.030 8.602 0.428 18912 610 1 4 . 1 1 32 32 VAL N N 32 125.179 125.179 121.532 3.647 18912 611 1 4 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.787 0.269 18912 612 1 4 . 1 1 32 32 VAL H H 32 8.634 8.634 9.162 -0.528 18912 613 1 4 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.653 0.452 18912 614 1 4 . 1 1 34 34 TYR N N 34 125.935 125.935 127.753 -1.818 18912 615 1 4 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.322 0.097 18912 616 1 4 . 1 1 34 34 TYR H H 34 8.900 8.900 9.383 -0.483 18912 617 1 4 . 1 1 35 35 VAL N N 35 128.155 128.155 126.280 1.875 18912 618 1 4 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.788 -0.609 18912 619 1 4 . 1 1 35 35 VAL H H 35 7.347 7.347 8.056 -0.709 18912 620 1 4 . 1 1 36 36 ASP N N 36 125.146 125.146 124.214 0.932 18912 621 1 4 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.910 -0.555 18912 622 1 4 . 1 1 36 36 ASP H H 36 8.367 8.367 8.094 0.273 18912 623 1 4 . 1 1 37 37 ALA N N 37 119.166 119.166 121.459 -2.293 18912 624 1 4 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.188 -0.061 18912 625 1 4 . 1 1 37 37 ALA H H 37 8.215 8.215 8.732 -0.517 18912 626 1 4 . 1 1 38 38 GLU N N 38 117.714 117.714 116.855 0.859 18912 627 1 4 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.393 -0.016 18912 628 1 4 . 1 1 38 38 GLU H H 38 8.253 8.253 7.918 0.335 18912 629 1 4 . 1 1 39 39 GLN N N 39 112.433 112.433 113.910 -1.477 18912 630 1 4 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.955 -0.381 18912 631 1 4 . 1 1 39 39 GLN H H 39 8.145 8.145 8.191 -0.046 18912 632 1 4 . 1 1 40 40 LYS N N 40 120.092 120.092 119.519 0.573 18912 633 1 4 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.200 0.302 18912 634 1 4 . 1 1 40 40 LYS H H 40 8.436 8.436 8.048 0.388 18912 635 1 4 . 1 1 41 41 ASN N N 41 115.767 115.767 119.558 -3.791 18912 636 1 4 . 1 1 41 41 ASN HA H 41 4.925 4.925 4.876 0.049 18912 637 1 4 . 1 1 41 41 ASN H H 41 8.151 8.151 8.449 -0.298 18912 638 1 4 . 1 1 42 42 LEU N N 42 121.155 121.155 124.938 -3.783 18912 639 1 4 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.788 -0.468 18912 640 1 4 . 1 1 42 42 LEU H H 42 9.130 9.130 8.231 0.899 18912 641 1 4 . 1 1 43 43 PHE N N 43 120.509 120.509 126.682 -6.173 18912 642 1 4 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.669 0.796 18912 643 1 4 . 1 1 43 43 PHE H H 43 8.406 8.406 8.758 -0.352 18912 644 1 4 . 1 1 44 44 LEU N N 44 120.978 120.978 128.649 -7.671 18912 645 1 4 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.275 0.003 18912 646 1 4 . 1 1 44 44 LEU H H 44 8.427 8.427 8.538 -0.111 18912 647 1 4 . 1 1 45 45 ARG N N 45 120.074 120.074 120.276 -0.202 18912 648 1 4 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.596 -0.552 18912 649 1 4 . 1 1 45 45 ARG H H 45 8.291 8.291 8.342 -0.051 18912 650 1 4 . 1 1 46 46 LYS N N 46 121.707 121.707 120.716 0.991 18912 651 1 4 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.140 -0.332 18912 652 1 4 . 1 1 46 46 LYS H H 46 8.110 8.110 8.475 -0.365 18912 653 1 4 . 1 1 47 47 GLY N N 47 114.992 114.992 115.139 -0.147 18912 654 1 4 . 1 1 47 47 GLY H H 47 9.514 9.514 9.306 0.208 18912 655 1 4 . 1 1 48 48 LYS N N 48 122.565 122.565 121.072 1.493 18912 656 1 4 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.961 -0.377 18912 657 1 4 . 1 1 48 48 LYS H H 48 7.855 7.855 7.621 0.234 18912 658 1 4 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.604 -0.095 18912 659 1 4 . 1 1 50 50 CYS N N 50 118.602 118.602 120.748 -2.146 18912 660 1 4 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.611 0.328 18912 661 1 4 . 1 1 50 50 CYS H H 50 8.274 8.274 8.575 -0.301 18912 662 1 4 . 1 1 51 51 THR N N 51 112.483 112.483 115.477 -2.994 18912 663 1 4 . 1 1 51 51 THR HA H 51 3.798 3.798 3.939 -0.141 18912 664 1 4 . 1 1 51 51 THR H H 51 7.498 7.498 8.353 -0.855 18912 665 1 4 . 1 1 52 52 VAL N N 52 108.404 108.404 117.096 -8.692 18912 666 1 4 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.089 0.514 18912 667 1 4 . 1 1 52 52 VAL H H 52 6.672 6.672 8.062 -1.390 18912 668 1 4 . 1 1 53 53 GLY N N 53 109.222 109.222 106.905 2.317 18912 669 1 4 . 1 1 53 53 GLY H H 53 6.481 6.481 7.122 -0.641 18912 670 1 4 . 1 1 54 54 PHE N N 54 127.065 127.065 119.532 7.533 18912 671 1 4 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.372 -0.244 18912 672 1 4 . 1 1 54 54 PHE H H 54 9.314 9.314 9.448 -0.134 18912 673 1 4 . 1 1 55 55 CYS N N 55 121.901 121.901 121.392 0.509 18912 674 1 4 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.030 0.091 18912 675 1 4 . 1 1 55 55 CYS H H 55 9.375 9.375 9.119 0.256 18912 676 1 4 . 1 1 56 56 ASP N N 56 127.032 127.032 126.538 0.494 18912 677 1 4 . 1 1 56 56 ASP HA H 56 4.785 4.785 4.934 -0.149 18912 678 1 4 . 1 1 56 56 ASP H H 56 9.135 9.135 9.043 0.092 18912 679 1 4 . 1 1 57 57 MET N N 57 113.781 113.781 119.817 -6.036 18912 680 1 4 . 1 1 57 57 MET HA H 57 4.405 4.405 4.364 0.041 18912 681 1 4 . 1 1 57 57 MET H H 57 8.246 8.246 8.505 -0.259 18912 682 1 4 . 1 1 58 58 ASN N N 58 118.453 118.453 116.632 1.821 18912 683 1 4 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.574 0.077 18912 684 1 4 . 1 1 58 58 ASN H H 58 8.678 8.678 8.009 0.669 18912 685 1 4 . 1 1 59 59 GLY N N 59 107.488 107.488 107.387 0.101 18912 686 1 4 . 1 1 59 59 GLY H H 59 7.820 7.820 7.988 -0.168 18912 687 1 4 . 1 1 60 60 LYS N N 60 123.743 123.743 117.619 6.124 18912 688 1 4 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.869 -0.455 18912 689 1 4 . 1 1 60 60 LYS H H 60 8.471 8.471 7.546 0.925 18912 690 1 4 . 1 1 61 61 CYS N N 61 124.711 124.711 121.638 3.073 18912 691 1 4 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.516 -0.917 18912 692 1 4 . 1 1 61 61 CYS H H 61 8.613 8.613 8.774 -0.162 18912 693 1 5 . 1 1 2 2 CYS N N 2 116.766 116.766 120.696 -3.930 18912 694 1 5 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.078 -0.507 18912 695 1 5 . 1 1 2 2 CYS H H 2 8.485 8.485 8.959 -0.474 18912 696 1 5 . 1 1 3 3 GLU N N 3 124.348 124.348 121.249 3.099 18912 697 1 5 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.099 -0.136 18912 698 1 5 . 1 1 3 3 GLU H H 3 9.345 9.345 8.381 0.964 18912 699 1 5 . 1 1 4 4 ARG N N 4 119.167 119.167 118.763 0.404 18912 700 1 5 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.185 -0.226 18912 701 1 5 . 1 1 4 4 ARG H H 4 8.390 8.390 8.282 0.108 18912 702 1 5 . 1 1 5 5 GLU N N 5 114.022 114.022 117.928 -3.906 18912 703 1 5 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.328 -0.097 18912 704 1 5 . 1 1 5 5 GLU H H 5 8.309 8.309 7.985 0.324 18912 705 1 5 . 1 1 6 6 GLN N N 6 113.489 113.489 115.697 -2.208 18912 706 1 5 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.565 -0.020 18912 707 1 5 . 1 1 6 6 GLN H H 6 7.210 7.210 8.187 -0.977 18912 708 1 5 . 1 1 7 7 GLN N N 7 114.953 114.953 113.412 1.541 18912 709 1 5 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.078 0.012 18912 710 1 5 . 1 1 7 7 GLN H H 7 7.454 7.454 8.103 -0.649 18912 711 1 5 . 1 1 8 8 LEU N N 8 118.695 118.695 118.368 0.327 18912 712 1 5 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.518 0.195 18912 713 1 5 . 1 1 8 8 LEU H H 8 7.414 7.414 7.468 -0.054 18912 714 1 5 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.548 -0.240 18912 715 1 5 . 1 1 9 9 GLU CA C 9 55.627 55.627 53.901 1.726 18912 716 1 5 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.828 -0.050 18912 717 1 5 . 1 1 9 9 GLU H H 9 8.250 8.250 8.613 -0.363 18912 718 1 5 . 1 1 10 10 SER N N 10 120.943 120.943 115.270 5.673 18912 719 1 5 . 1 1 10 10 SER HA H 10 5.063 5.063 5.103 -0.040 18912 720 1 5 . 1 1 10 10 SER H H 10 8.886 8.886 8.360 0.526 18912 721 1 5 . 1 1 11 11 CYS N N 11 118.295 118.295 121.960 -3.665 18912 722 1 5 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.750 0.093 18912 723 1 5 . 1 1 11 11 CYS H H 11 8.094 8.094 8.828 -0.734 18912 724 1 5 . 1 1 12 12 ALA N N 12 123.087 123.087 121.578 1.509 18912 725 1 5 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.592 0.202 18912 726 1 5 . 1 1 12 12 ALA H H 12 8.419 8.419 8.319 0.100 18912 727 1 5 . 1 1 13 13 CYS N N 13 123.511 123.511 123.007 0.504 18912 728 1 5 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.424 -0.221 18912 729 1 5 . 1 1 13 13 CYS H H 13 9.174 9.174 8.441 0.733 18912 730 1 5 . 1 1 14 14 ASN N N 14 118.292 118.292 120.674 -2.382 18912 731 1 5 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.376 0.137 18912 732 1 5 . 1 1 14 14 ASN H H 14 8.290 8.290 8.735 -0.445 18912 733 1 5 . 1 1 15 15 GLU N N 15 119.065 119.065 117.796 1.269 18912 734 1 5 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.313 0.159 18912 735 1 5 . 1 1 15 15 GLU H H 15 8.197 8.197 7.863 0.334 18912 736 1 5 . 1 1 16 16 THR HA H 16 3.823 3.823 4.009 -0.186 18912 737 1 5 . 1 1 16 16 THR CA C 16 67.200 67.200 66.619 0.581 18912 738 1 5 . 1 1 16 16 THR CB C 16 68.382 68.382 68.871 -0.489 18912 739 1 5 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.467 0.015 18912 740 1 5 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.095 -0.612 18912 741 1 5 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.853 -0.849 18912 742 1 5 . 1 1 18 18 ASN N N 18 114.925 114.925 116.855 -1.930 18912 743 1 5 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.762 0.212 18912 744 1 5 . 1 1 18 18 ASN H H 18 7.606 7.606 8.873 -1.267 18912 745 1 5 . 1 1 19 19 SER N N 19 115.866 115.866 117.277 -1.411 18912 746 1 5 . 1 1 19 19 SER HA H 19 4.209 4.209 4.427 -0.218 18912 747 1 5 . 1 1 19 19 SER H H 19 7.702 7.702 7.922 -0.220 18912 748 1 5 . 1 1 20 20 CYS N N 20 118.266 118.266 118.143 0.123 18912 749 1 5 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.712 0.266 18912 750 1 5 . 1 1 20 20 CYS H H 20 8.811 8.811 7.838 0.973 18912 751 1 5 . 1 1 21 21 LYS N N 21 120.561 120.561 120.235 0.326 18912 752 1 5 . 1 1 21 21 LYS HA H 21 5.112 5.112 5.004 0.108 18912 753 1 5 . 1 1 21 21 LYS H H 21 7.715 7.715 7.402 0.313 18912 754 1 5 . 1 1 22 22 VAL N N 22 119.640 119.640 123.870 -4.230 18912 755 1 5 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.129 -0.374 18912 756 1 5 . 1 1 22 22 VAL H H 22 8.422 8.422 8.158 0.264 18912 757 1 5 . 1 1 23 23 CYS N N 23 129.569 129.569 126.147 3.422 18912 758 1 5 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.270 0.131 18912 759 1 5 . 1 1 23 23 CYS H H 23 9.030 9.030 8.415 0.615 18912 760 1 5 . 1 1 24 24 CYS N N 24 116.307 116.307 121.735 -5.428 18912 761 1 5 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.553 -0.163 18912 762 1 5 . 1 1 24 24 CYS H H 24 8.746 8.746 9.466 -0.720 18912 763 1 5 . 1 1 25 25 ARG N N 25 125.239 125.239 121.547 3.692 18912 764 1 5 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.180 -0.247 18912 765 1 5 . 1 1 25 25 ARG H H 25 9.219 9.219 8.344 0.875 18912 766 1 5 . 1 1 26 26 ASP N N 26 125.707 125.707 124.784 0.923 18912 767 1 5 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.765 -0.074 18912 768 1 5 . 1 1 26 26 ASP H H 26 8.825 8.825 8.808 0.017 18912 769 1 5 . 1 1 27 27 LEU N N 27 117.682 117.682 117.350 0.332 18912 770 1 5 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.255 -0.092 18912 771 1 5 . 1 1 27 27 LEU H H 27 8.238 8.238 8.535 -0.297 18912 772 1 5 . 1 1 28 28 SER N N 28 115.328 115.328 112.472 2.856 18912 773 1 5 . 1 1 28 28 SER HA H 28 4.550 4.550 4.494 0.056 18912 774 1 5 . 1 1 28 28 SER H H 28 8.413 8.413 8.445 -0.032 18912 775 1 5 . 1 1 29 29 GLY N N 29 110.481 110.481 109.413 1.068 18912 776 1 5 . 1 1 29 29 GLY H H 29 8.296 8.296 7.922 0.374 18912 777 1 5 . 1 1 30 30 ARG N N 30 123.895 123.895 120.162 3.733 18912 778 1 5 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.529 -0.261 18912 779 1 5 . 1 1 30 30 ARG H H 30 8.180 8.180 8.802 -0.622 18912 780 1 5 . 1 1 31 31 CYS N N 31 124.749 124.749 123.143 1.606 18912 781 1 5 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.318 -0.480 18912 782 1 5 . 1 1 31 31 CYS H H 31 9.030 9.030 8.913 0.117 18912 783 1 5 . 1 1 32 32 VAL N N 32 125.179 125.179 122.099 3.080 18912 784 1 5 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.744 0.312 18912 785 1 5 . 1 1 32 32 VAL H H 32 8.634 8.634 9.175 -0.541 18912 786 1 5 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.617 0.488 18912 787 1 5 . 1 1 34 34 TYR N N 34 125.935 125.935 127.710 -1.775 18912 788 1 5 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.469 -0.050 18912 789 1 5 . 1 1 34 34 TYR H H 34 8.900 8.900 9.322 -0.422 18912 790 1 5 . 1 1 35 35 VAL N N 35 128.155 128.155 124.254 3.901 18912 791 1 5 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.587 -0.408 18912 792 1 5 . 1 1 35 35 VAL H H 35 7.347 7.347 7.786 -0.439 18912 793 1 5 . 1 1 36 36 ASP N N 36 125.146 125.146 123.794 1.352 18912 794 1 5 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.691 -0.336 18912 795 1 5 . 1 1 36 36 ASP H H 36 8.367 8.367 7.682 0.685 18912 796 1 5 . 1 1 37 37 ALA N N 37 119.166 119.166 122.600 -3.434 18912 797 1 5 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.177 -0.050 18912 798 1 5 . 1 1 37 37 ALA H H 37 8.215 8.215 8.539 -0.324 18912 799 1 5 . 1 1 38 38 GLU N N 38 117.714 117.714 118.375 -0.661 18912 800 1 5 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.107 0.270 18912 801 1 5 . 1 1 38 38 GLU H H 38 8.253 8.253 8.145 0.108 18912 802 1 5 . 1 1 39 39 GLN N N 39 112.433 112.433 113.759 -1.326 18912 803 1 5 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.889 -0.315 18912 804 1 5 . 1 1 39 39 GLN H H 39 8.145 8.145 8.134 0.011 18912 805 1 5 . 1 1 40 40 LYS N N 40 120.092 120.092 117.357 2.735 18912 806 1 5 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.415 0.087 18912 807 1 5 . 1 1 40 40 LYS H H 40 8.436 8.436 7.756 0.680 18912 808 1 5 . 1 1 41 41 ASN N N 41 115.767 115.767 121.087 -5.320 18912 809 1 5 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.455 -0.530 18912 810 1 5 . 1 1 41 41 ASN H H 41 8.151 8.151 8.558 -0.407 18912 811 1 5 . 1 1 42 42 LEU N N 42 121.155 121.155 119.733 1.422 18912 812 1 5 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.760 -0.440 18912 813 1 5 . 1 1 42 42 LEU H H 42 9.130 9.130 8.694 0.436 18912 814 1 5 . 1 1 43 43 PHE N N 43 120.509 120.509 121.526 -1.017 18912 815 1 5 . 1 1 43 43 PHE HA H 43 5.465 5.465 5.035 0.430 18912 816 1 5 . 1 1 43 43 PHE H H 43 8.406 8.406 8.408 -0.002 18912 817 1 5 . 1 1 44 44 LEU N N 44 120.978 120.978 127.148 -6.170 18912 818 1 5 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.294 -0.016 18912 819 1 5 . 1 1 44 44 LEU H H 44 8.427 8.427 8.700 -0.273 18912 820 1 5 . 1 1 45 45 ARG N N 45 120.074 120.074 119.309 0.765 18912 821 1 5 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.009 0.035 18912 822 1 5 . 1 1 45 45 ARG H H 45 8.291 8.291 8.037 0.254 18912 823 1 5 . 1 1 46 46 LYS N N 46 121.707 121.707 120.288 1.419 18912 824 1 5 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.388 -0.580 18912 825 1 5 . 1 1 46 46 LYS H H 46 8.110 8.110 8.142 -0.032 18912 826 1 5 . 1 1 47 47 GLY N N 47 114.992 114.992 115.332 -0.340 18912 827 1 5 . 1 1 47 47 GLY H H 47 9.514 9.514 9.367 0.147 18912 828 1 5 . 1 1 48 48 LYS N N 48 122.565 122.565 121.650 0.915 18912 829 1 5 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.859 -0.275 18912 830 1 5 . 1 1 48 48 LYS H H 48 7.855 7.855 7.432 0.423 18912 831 1 5 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.015 0.494 18912 832 1 5 . 1 1 50 50 CYS N N 50 118.602 118.602 125.113 -6.511 18912 833 1 5 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.775 0.164 18912 834 1 5 . 1 1 50 50 CYS H H 50 8.274 8.274 8.494 -0.220 18912 835 1 5 . 1 1 51 51 THR N N 51 112.483 112.483 115.045 -2.562 18912 836 1 5 . 1 1 51 51 THR HA H 51 3.798 3.798 4.059 -0.261 18912 837 1 5 . 1 1 51 51 THR H H 51 7.498 7.498 8.383 -0.885 18912 838 1 5 . 1 1 52 52 VAL N N 52 108.404 108.404 116.301 -7.897 18912 839 1 5 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.372 0.231 18912 840 1 5 . 1 1 52 52 VAL H H 52 6.672 6.672 7.725 -1.053 18912 841 1 5 . 1 1 53 53 GLY N N 53 109.222 109.222 106.998 2.224 18912 842 1 5 . 1 1 53 53 GLY H H 53 6.481 6.481 7.326 -0.845 18912 843 1 5 . 1 1 54 54 PHE N N 54 127.065 127.065 118.686 8.379 18912 844 1 5 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.487 -0.359 18912 845 1 5 . 1 1 54 54 PHE H H 54 9.314 9.314 8.118 1.196 18912 846 1 5 . 1 1 55 55 CYS N N 55 121.901 121.901 121.288 0.613 18912 847 1 5 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.593 -0.472 18912 848 1 5 . 1 1 55 55 CYS H H 55 9.375 9.375 9.051 0.324 18912 849 1 5 . 1 1 56 56 ASP N N 56 127.032 127.032 124.208 2.824 18912 850 1 5 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.089 -0.304 18912 851 1 5 . 1 1 56 56 ASP H H 56 9.135 9.135 9.073 0.062 18912 852 1 5 . 1 1 57 57 MET N N 57 113.781 113.781 119.839 -6.058 18912 853 1 5 . 1 1 57 57 MET HA H 57 4.405 4.405 4.418 -0.013 18912 854 1 5 . 1 1 57 57 MET H H 57 8.246 8.246 8.553 -0.307 18912 855 1 5 . 1 1 58 58 ASN N N 58 118.453 118.453 115.366 3.087 18912 856 1 5 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.505 0.145 18912 857 1 5 . 1 1 58 58 ASN H H 58 8.678 8.678 7.863 0.815 18912 858 1 5 . 1 1 59 59 GLY N N 59 107.488 107.488 108.311 -0.823 18912 859 1 5 . 1 1 59 59 GLY H H 59 7.820 7.820 8.238 -0.418 18912 860 1 5 . 1 1 60 60 LYS N N 60 123.743 123.743 118.397 5.346 18912 861 1 5 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.811 -0.397 18912 862 1 5 . 1 1 60 60 LYS H H 60 8.471 8.471 7.401 1.070 18912 863 1 5 . 1 1 61 61 CYS N N 61 124.711 124.711 121.901 2.810 18912 864 1 5 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.443 -0.844 18912 865 1 5 . 1 1 61 61 CYS H H 61 8.613 8.613 8.497 0.116 18912 866 1 6 . 1 1 2 2 CYS N N 2 116.766 116.766 118.407 -1.641 18912 867 1 6 . 1 1 2 2 CYS HA H 2 3.571 3.571 3.756 -0.185 18912 868 1 6 . 1 1 2 2 CYS H H 2 8.485 8.485 9.062 -0.577 18912 869 1 6 . 1 1 3 3 GLU N N 3 124.348 124.348 122.762 1.586 18912 870 1 6 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.109 -0.146 18912 871 1 6 . 1 1 3 3 GLU H H 3 9.345 9.345 8.578 0.767 18912 872 1 6 . 1 1 4 4 ARG N N 4 119.167 119.167 118.146 1.021 18912 873 1 6 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.190 -0.231 18912 874 1 6 . 1 1 4 4 ARG H H 4 8.390 8.390 8.287 0.103 18912 875 1 6 . 1 1 5 5 GLU N N 5 114.022 114.022 118.833 -4.811 18912 876 1 6 . 1 1 5 5 GLU HA H 5 4.231 4.231 3.952 0.279 18912 877 1 6 . 1 1 5 5 GLU H H 5 8.309 8.309 8.322 -0.013 18912 878 1 6 . 1 1 6 6 GLN N N 6 113.489 113.489 112.553 0.936 18912 879 1 6 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.547 -0.002 18912 880 1 6 . 1 1 6 6 GLN H H 6 7.210 7.210 7.955 -0.745 18912 881 1 6 . 1 1 7 7 GLN N N 7 114.953 114.953 114.555 0.398 18912 882 1 6 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.200 -0.110 18912 883 1 6 . 1 1 7 7 GLN H H 7 7.454 7.454 7.989 -0.535 18912 884 1 6 . 1 1 8 8 LEU N N 8 118.695 118.695 116.875 1.820 18912 885 1 6 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.653 0.060 18912 886 1 6 . 1 1 8 8 LEU H H 8 7.414 7.414 7.326 0.088 18912 887 1 6 . 1 1 9 9 GLU HA H 9 4.308 4.308 5.183 -0.875 18912 888 1 6 . 1 1 9 9 GLU CA C 9 55.627 55.627 52.841 2.786 18912 889 1 6 . 1 1 9 9 GLU CB C 9 31.778 31.778 32.542 -0.764 18912 890 1 6 . 1 1 9 9 GLU H H 9 8.250 8.250 8.556 -0.306 18912 891 1 6 . 1 1 10 10 SER N N 10 120.943 120.943 116.433 4.510 18912 892 1 6 . 1 1 10 10 SER HA H 10 5.063 5.063 4.637 0.426 18912 893 1 6 . 1 1 10 10 SER H H 10 8.886 8.886 7.765 1.121 18912 894 1 6 . 1 1 11 11 CYS N N 11 118.295 118.295 114.468 3.827 18912 895 1 6 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.797 0.046 18912 896 1 6 . 1 1 11 11 CYS H H 11 8.094 8.094 8.121 -0.027 18912 897 1 6 . 1 1 12 12 ALA N N 12 123.087 123.087 122.266 0.821 18912 898 1 6 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.624 0.170 18912 899 1 6 . 1 1 12 12 ALA H H 12 8.419 8.419 8.165 0.254 18912 900 1 6 . 1 1 13 13 CYS N N 13 123.511 123.511 123.529 -0.018 18912 901 1 6 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.394 -0.191 18912 902 1 6 . 1 1 13 13 CYS H H 13 9.174 9.174 8.377 0.797 18912 903 1 6 . 1 1 14 14 ASN N N 14 118.292 118.292 120.539 -2.247 18912 904 1 6 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.422 0.091 18912 905 1 6 . 1 1 14 14 ASN H H 14 8.290 8.290 8.707 -0.417 18912 906 1 6 . 1 1 15 15 GLU N N 15 119.065 119.065 117.856 1.209 18912 907 1 6 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.327 0.145 18912 908 1 6 . 1 1 15 15 GLU H H 15 8.197 8.197 7.933 0.264 18912 909 1 6 . 1 1 16 16 THR HA H 16 3.823 3.823 4.049 -0.226 18912 910 1 6 . 1 1 16 16 THR CA C 16 67.200 67.200 66.442 0.758 18912 911 1 6 . 1 1 16 16 THR CB C 16 68.382 68.382 68.773 -0.391 18912 912 1 6 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.660 -0.178 18912 913 1 6 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.441 -0.958 18912 914 1 6 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.791 -0.787 18912 915 1 6 . 1 1 18 18 ASN N N 18 114.925 114.925 118.218 -3.293 18912 916 1 6 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.591 0.383 18912 917 1 6 . 1 1 18 18 ASN H H 18 7.606 7.606 9.235 -1.629 18912 918 1 6 . 1 1 19 19 SER N N 19 115.866 115.866 114.629 1.237 18912 919 1 6 . 1 1 19 19 SER HA H 19 4.209 4.209 4.469 -0.260 18912 920 1 6 . 1 1 19 19 SER H H 19 7.702 7.702 8.276 -0.574 18912 921 1 6 . 1 1 20 20 CYS N N 20 118.266 118.266 120.779 -2.513 18912 922 1 6 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.732 0.246 18912 923 1 6 . 1 1 20 20 CYS H H 20 8.811 8.811 7.878 0.933 18912 924 1 6 . 1 1 21 21 LYS N N 21 120.561 120.561 120.393 0.168 18912 925 1 6 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.830 0.282 18912 926 1 6 . 1 1 21 21 LYS H H 21 7.715 7.715 7.697 0.018 18912 927 1 6 . 1 1 22 22 VAL N N 22 119.640 119.640 122.166 -2.526 18912 928 1 6 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.261 -0.506 18912 929 1 6 . 1 1 22 22 VAL H H 22 8.422 8.422 8.517 -0.095 18912 930 1 6 . 1 1 23 23 CYS N N 23 129.569 129.569 126.297 3.272 18912 931 1 6 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.090 0.311 18912 932 1 6 . 1 1 23 23 CYS H H 23 9.030 9.030 8.426 0.604 18912 933 1 6 . 1 1 24 24 CYS N N 24 116.307 116.307 119.738 -3.431 18912 934 1 6 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.055 0.335 18912 935 1 6 . 1 1 24 24 CYS H H 24 8.746 8.746 9.368 -0.622 18912 936 1 6 . 1 1 25 25 ARG N N 25 125.239 125.239 123.615 1.624 18912 937 1 6 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.060 -0.127 18912 938 1 6 . 1 1 25 25 ARG H H 25 9.219 9.219 8.533 0.686 18912 939 1 6 . 1 1 26 26 ASP N N 26 125.707 125.707 126.934 -1.227 18912 940 1 6 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.635 0.056 18912 941 1 6 . 1 1 26 26 ASP H H 26 8.825 8.825 8.855 -0.030 18912 942 1 6 . 1 1 27 27 LEU N N 27 117.682 117.682 120.978 -3.296 18912 943 1 6 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.104 0.059 18912 944 1 6 . 1 1 27 27 LEU H H 27 8.238 8.238 8.564 -0.326 18912 945 1 6 . 1 1 28 28 SER N N 28 115.328 115.328 113.241 2.087 18912 946 1 6 . 1 1 28 28 SER HA H 28 4.550 4.550 4.359 0.191 18912 947 1 6 . 1 1 28 28 SER H H 28 8.413 8.413 8.280 0.133 18912 948 1 6 . 1 1 29 29 GLY N N 29 110.481 110.481 109.203 1.278 18912 949 1 6 . 1 1 29 29 GLY H H 29 8.296 8.296 7.853 0.443 18912 950 1 6 . 1 1 30 30 ARG N N 30 123.895 123.895 119.788 4.107 18912 951 1 6 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.532 -0.264 18912 952 1 6 . 1 1 30 30 ARG H H 30 8.180 8.180 8.752 -0.572 18912 953 1 6 . 1 1 31 31 CYS N N 31 124.749 124.749 121.790 2.959 18912 954 1 6 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.203 -0.365 18912 955 1 6 . 1 1 31 31 CYS H H 31 9.030 9.030 8.644 0.386 18912 956 1 6 . 1 1 32 32 VAL N N 32 125.179 125.179 126.441 -1.262 18912 957 1 6 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.884 0.172 18912 958 1 6 . 1 1 32 32 VAL H H 32 8.634 8.634 9.109 -0.475 18912 959 1 6 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.637 0.468 18912 960 1 6 . 1 1 34 34 TYR N N 34 125.935 125.935 126.233 -0.298 18912 961 1 6 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.381 0.038 18912 962 1 6 . 1 1 34 34 TYR H H 34 8.900 8.900 9.249 -0.349 18912 963 1 6 . 1 1 35 35 VAL N N 35 128.155 128.155 126.881 1.274 18912 964 1 6 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.425 -0.246 18912 965 1 6 . 1 1 35 35 VAL H H 35 7.347 7.347 7.961 -0.614 18912 966 1 6 . 1 1 36 36 ASP N N 36 125.146 125.146 124.050 1.096 18912 967 1 6 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.917 -0.562 18912 968 1 6 . 1 1 36 36 ASP H H 36 8.367 8.367 8.152 0.215 18912 969 1 6 . 1 1 37 37 ALA N N 37 119.166 119.166 121.330 -2.164 18912 970 1 6 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.153 -0.026 18912 971 1 6 . 1 1 37 37 ALA H H 37 8.215 8.215 8.768 -0.553 18912 972 1 6 . 1 1 38 38 GLU N N 38 117.714 117.714 116.414 1.300 18912 973 1 6 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.359 0.018 18912 974 1 6 . 1 1 38 38 GLU H H 38 8.253 8.253 7.959 0.294 18912 975 1 6 . 1 1 39 39 GLN N N 39 112.433 112.433 114.250 -1.817 18912 976 1 6 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.923 -0.349 18912 977 1 6 . 1 1 39 39 GLN H H 39 8.145 8.145 8.054 0.091 18912 978 1 6 . 1 1 40 40 LYS N N 40 120.092 120.092 119.948 0.144 18912 979 1 6 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.294 0.208 18912 980 1 6 . 1 1 40 40 LYS H H 40 8.436 8.436 8.025 0.411 18912 981 1 6 . 1 1 41 41 ASN N N 41 115.767 115.767 122.718 -6.951 18912 982 1 6 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.166 -0.241 18912 983 1 6 . 1 1 41 41 ASN H H 41 8.151 8.151 8.440 -0.289 18912 984 1 6 . 1 1 42 42 LEU N N 42 121.155 121.155 119.475 1.680 18912 985 1 6 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.465 -0.145 18912 986 1 6 . 1 1 42 42 LEU H H 42 9.130 9.130 8.379 0.751 18912 987 1 6 . 1 1 43 43 PHE N N 43 120.509 120.509 121.374 -0.865 18912 988 1 6 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.724 0.741 18912 989 1 6 . 1 1 43 43 PHE H H 43 8.406 8.406 8.590 -0.184 18912 990 1 6 . 1 1 44 44 LEU N N 44 120.978 120.978 123.727 -2.749 18912 991 1 6 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.184 0.094 18912 992 1 6 . 1 1 44 44 LEU H H 44 8.427 8.427 8.860 -0.433 18912 993 1 6 . 1 1 45 45 ARG N N 45 120.074 120.074 119.646 0.428 18912 994 1 6 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.421 -0.377 18912 995 1 6 . 1 1 45 45 ARG H H 45 8.291 8.291 8.308 -0.017 18912 996 1 6 . 1 1 46 46 LYS N N 46 121.707 121.707 121.171 0.536 18912 997 1 6 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.351 -0.543 18912 998 1 6 . 1 1 46 46 LYS H H 46 8.110 8.110 8.437 -0.327 18912 999 1 6 . 1 1 47 47 GLY N N 47 114.992 114.992 113.973 1.019 18912 1000 1 6 . 1 1 47 47 GLY H H 47 9.514 9.514 9.163 0.351 18912 1001 1 6 . 1 1 48 48 LYS N N 48 122.565 122.565 121.148 1.417 18912 1002 1 6 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.935 -0.351 18912 1003 1 6 . 1 1 48 48 LYS H H 48 7.855 7.855 7.674 0.181 18912 1004 1 6 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.541 -0.032 18912 1005 1 6 . 1 1 50 50 CYS N N 50 118.602 118.602 122.307 -3.705 18912 1006 1 6 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.929 0.010 18912 1007 1 6 . 1 1 50 50 CYS H H 50 8.274 8.274 8.679 -0.405 18912 1008 1 6 . 1 1 51 51 THR N N 51 112.483 112.483 115.619 -3.136 18912 1009 1 6 . 1 1 51 51 THR HA H 51 3.798 3.798 4.024 -0.226 18912 1010 1 6 . 1 1 51 51 THR H H 51 7.498 7.498 8.482 -0.984 18912 1011 1 6 . 1 1 52 52 VAL N N 52 108.404 108.404 115.008 -6.604 18912 1012 1 6 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.142 0.461 18912 1013 1 6 . 1 1 52 52 VAL H H 52 6.672 6.672 7.920 -1.248 18912 1014 1 6 . 1 1 53 53 GLY N N 53 109.222 109.222 107.612 1.610 18912 1015 1 6 . 1 1 53 53 GLY H H 53 6.481 6.481 7.232 -0.751 18912 1016 1 6 . 1 1 54 54 PHE N N 54 127.065 127.065 119.403 7.662 18912 1017 1 6 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.447 -0.319 18912 1018 1 6 . 1 1 54 54 PHE H H 54 9.314 9.314 8.920 0.394 18912 1019 1 6 . 1 1 55 55 CYS N N 55 121.901 121.901 122.254 -0.353 18912 1020 1 6 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.007 0.114 18912 1021 1 6 . 1 1 55 55 CYS H H 55 9.375 9.375 9.369 0.006 18912 1022 1 6 . 1 1 56 56 ASP N N 56 127.032 127.032 127.085 -0.053 18912 1023 1 6 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.078 -0.293 18912 1024 1 6 . 1 1 56 56 ASP H H 56 9.135 9.135 9.076 0.059 18912 1025 1 6 . 1 1 57 57 MET N N 57 113.781 113.781 120.068 -6.287 18912 1026 1 6 . 1 1 57 57 MET HA H 57 4.405 4.405 4.464 -0.059 18912 1027 1 6 . 1 1 57 57 MET H H 57 8.246 8.246 8.467 -0.221 18912 1028 1 6 . 1 1 58 58 ASN N N 58 118.453 118.453 116.040 2.413 18912 1029 1 6 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.361 0.290 18912 1030 1 6 . 1 1 58 58 ASN H H 58 8.678 8.678 8.298 0.380 18912 1031 1 6 . 1 1 59 59 GLY N N 59 107.488 107.488 107.426 0.062 18912 1032 1 6 . 1 1 59 59 GLY H H 59 7.820 7.820 8.241 -0.421 18912 1033 1 6 . 1 1 60 60 LYS N N 60 123.743 123.743 119.364 4.379 18912 1034 1 6 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.790 -0.376 18912 1035 1 6 . 1 1 60 60 LYS H H 60 8.471 8.471 7.536 0.935 18912 1036 1 6 . 1 1 61 61 CYS N N 61 124.711 124.711 121.218 3.493 18912 1037 1 6 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.687 -1.088 18912 1038 1 6 . 1 1 61 61 CYS H H 61 8.613 8.613 8.813 -0.200 18912 1039 1 7 . 1 1 2 2 CYS N N 2 116.766 116.766 118.294 -1.528 18912 1040 1 7 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.605 -1.034 18912 1041 1 7 . 1 1 2 2 CYS H H 2 8.485 8.485 8.088 0.397 18912 1042 1 7 . 1 1 3 3 GLU N N 3 124.348 124.348 123.158 1.190 18912 1043 1 7 . 1 1 3 3 GLU HA H 3 3.963 3.963 3.951 0.012 18912 1044 1 7 . 1 1 3 3 GLU H H 3 9.345 9.345 8.384 0.961 18912 1045 1 7 . 1 1 4 4 ARG N N 4 119.167 119.167 120.226 -1.059 18912 1046 1 7 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.156 -0.197 18912 1047 1 7 . 1 1 4 4 ARG H H 4 8.390 8.390 8.500 -0.110 18912 1048 1 7 . 1 1 5 5 GLU N N 5 114.022 114.022 116.097 -2.075 18912 1049 1 7 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.187 0.044 18912 1050 1 7 . 1 1 5 5 GLU H H 5 8.309 8.309 8.391 -0.082 18912 1051 1 7 . 1 1 6 6 GLN N N 6 113.489 113.489 114.240 -0.751 18912 1052 1 7 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.574 -0.029 18912 1053 1 7 . 1 1 6 6 GLN H H 6 7.210 7.210 8.040 -0.830 18912 1054 1 7 . 1 1 7 7 GLN N N 7 114.953 114.953 113.939 1.014 18912 1055 1 7 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.108 -0.018 18912 1056 1 7 . 1 1 7 7 GLN H H 7 7.454 7.454 7.990 -0.536 18912 1057 1 7 . 1 1 8 8 LEU N N 8 118.695 118.695 117.820 0.875 18912 1058 1 7 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.615 0.098 18912 1059 1 7 . 1 1 8 8 LEU H H 8 7.414 7.414 7.349 0.065 18912 1060 1 7 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.394 -0.086 18912 1061 1 7 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.221 0.406 18912 1062 1 7 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.711 0.067 18912 1063 1 7 . 1 1 9 9 GLU H H 9 8.250 8.250 8.402 -0.152 18912 1064 1 7 . 1 1 10 10 SER N N 10 120.943 120.943 119.565 1.378 18912 1065 1 7 . 1 1 10 10 SER HA H 10 5.063 5.063 4.707 0.356 18912 1066 1 7 . 1 1 10 10 SER H H 10 8.886 8.886 8.419 0.467 18912 1067 1 7 . 1 1 11 11 CYS N N 11 118.295 118.295 118.065 0.230 18912 1068 1 7 . 1 1 11 11 CYS HA H 11 4.843 4.843 5.009 -0.166 18912 1069 1 7 . 1 1 11 11 CYS H H 11 8.094 8.094 8.257 -0.163 18912 1070 1 7 . 1 1 12 12 ALA N N 12 123.087 123.087 121.058 2.029 18912 1071 1 7 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.645 0.149 18912 1072 1 7 . 1 1 12 12 ALA H H 12 8.419 8.419 8.242 0.177 18912 1073 1 7 . 1 1 13 13 CYS N N 13 123.511 123.511 123.216 0.295 18912 1074 1 7 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.396 -0.193 18912 1075 1 7 . 1 1 13 13 CYS H H 13 9.174 9.174 8.484 0.690 18912 1076 1 7 . 1 1 14 14 ASN N N 14 118.292 118.292 122.549 -4.257 18912 1077 1 7 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.329 0.184 18912 1078 1 7 . 1 1 14 14 ASN H H 14 8.290 8.290 8.798 -0.508 18912 1079 1 7 . 1 1 15 15 GLU N N 15 119.065 119.065 118.243 0.822 18912 1080 1 7 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.277 0.195 18912 1081 1 7 . 1 1 15 15 GLU H H 15 8.197 8.197 8.321 -0.124 18912 1082 1 7 . 1 1 16 16 THR HA H 16 3.823 3.823 3.976 -0.153 18912 1083 1 7 . 1 1 16 16 THR CA C 16 67.200 67.200 66.218 0.982 18912 1084 1 7 . 1 1 16 16 THR CB C 16 68.382 68.382 68.798 -0.416 18912 1085 1 7 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.530 -0.048 18912 1086 1 7 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.600 -0.117 18912 1087 1 7 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.114 -1.110 18912 1088 1 7 . 1 1 18 18 ASN N N 18 114.925 114.925 117.188 -2.263 18912 1089 1 7 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.682 0.292 18912 1090 1 7 . 1 1 18 18 ASN H H 18 7.606 7.606 8.890 -1.284 18912 1091 1 7 . 1 1 19 19 SER N N 19 115.866 115.866 116.444 -0.578 18912 1092 1 7 . 1 1 19 19 SER HA H 19 4.209 4.209 4.513 -0.304 18912 1093 1 7 . 1 1 19 19 SER H H 19 7.702 7.702 7.842 -0.140 18912 1094 1 7 . 1 1 20 20 CYS N N 20 118.266 118.266 119.338 -1.072 18912 1095 1 7 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.693 0.285 18912 1096 1 7 . 1 1 20 20 CYS H H 20 8.811 8.811 7.663 1.148 18912 1097 1 7 . 1 1 21 21 LYS N N 21 120.561 120.561 120.308 0.253 18912 1098 1 7 . 1 1 21 21 LYS HA H 21 5.112 5.112 5.015 0.097 18912 1099 1 7 . 1 1 21 21 LYS H H 21 7.715 7.715 7.488 0.227 18912 1100 1 7 . 1 1 22 22 VAL N N 22 119.640 119.640 123.662 -4.022 18912 1101 1 7 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.145 -0.390 18912 1102 1 7 . 1 1 22 22 VAL H H 22 8.422 8.422 8.106 0.316 18912 1103 1 7 . 1 1 23 23 CYS N N 23 129.569 129.569 126.087 3.482 18912 1104 1 7 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.218 0.183 18912 1105 1 7 . 1 1 23 23 CYS H H 23 9.030 9.030 8.315 0.715 18912 1106 1 7 . 1 1 24 24 CYS N N 24 116.307 116.307 118.655 -2.348 18912 1107 1 7 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.486 -0.096 18912 1108 1 7 . 1 1 24 24 CYS H H 24 8.746 8.746 9.240 -0.494 18912 1109 1 7 . 1 1 25 25 ARG N N 25 125.239 125.239 122.182 3.057 18912 1110 1 7 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.581 -0.648 18912 1111 1 7 . 1 1 25 25 ARG H H 25 9.219 9.219 8.901 0.318 18912 1112 1 7 . 1 1 26 26 ASP N N 26 125.707 125.707 125.235 0.472 18912 1113 1 7 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.775 -0.084 18912 1114 1 7 . 1 1 26 26 ASP H H 26 8.825 8.825 8.228 0.597 18912 1115 1 7 . 1 1 27 27 LEU N N 27 117.682 117.682 117.345 0.337 18912 1116 1 7 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.231 -0.068 18912 1117 1 7 . 1 1 27 27 LEU H H 27 8.238 8.238 8.391 -0.153 18912 1118 1 7 . 1 1 28 28 SER N N 28 115.328 115.328 112.644 2.684 18912 1119 1 7 . 1 1 28 28 SER HA H 28 4.550 4.550 4.367 0.183 18912 1120 1 7 . 1 1 28 28 SER H H 28 8.413 8.413 8.945 -0.532 18912 1121 1 7 . 1 1 29 29 GLY N N 29 110.481 110.481 108.341 2.140 18912 1122 1 7 . 1 1 29 29 GLY H H 29 8.296 8.296 7.295 1.001 18912 1123 1 7 . 1 1 30 30 ARG N N 30 123.895 123.895 118.900 4.995 18912 1124 1 7 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.691 -0.423 18912 1125 1 7 . 1 1 30 30 ARG H H 30 8.180 8.180 9.223 -1.043 18912 1126 1 7 . 1 1 31 31 CYS N N 31 124.749 124.749 120.383 4.366 18912 1127 1 7 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.451 -0.613 18912 1128 1 7 . 1 1 31 31 CYS H H 31 9.030 9.030 8.416 0.614 18912 1129 1 7 . 1 1 32 32 VAL N N 32 125.179 125.179 123.242 1.937 18912 1130 1 7 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.729 0.327 18912 1131 1 7 . 1 1 32 32 VAL H H 32 8.634 8.634 9.217 -0.583 18912 1132 1 7 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.519 0.586 18912 1133 1 7 . 1 1 34 34 TYR N N 34 125.935 125.935 125.459 0.476 18912 1134 1 7 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.292 0.127 18912 1135 1 7 . 1 1 34 34 TYR H H 34 8.900 8.900 9.020 -0.120 18912 1136 1 7 . 1 1 35 35 VAL N N 35 128.155 128.155 124.632 3.523 18912 1137 1 7 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.494 -0.315 18912 1138 1 7 . 1 1 35 35 VAL H H 35 7.347 7.347 7.923 -0.576 18912 1139 1 7 . 1 1 36 36 ASP N N 36 125.146 125.146 125.637 -0.491 18912 1140 1 7 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.925 -0.570 18912 1141 1 7 . 1 1 36 36 ASP H H 36 8.367 8.367 8.143 0.224 18912 1142 1 7 . 1 1 37 37 ALA N N 37 119.166 119.166 127.690 -8.524 18912 1143 1 7 . 1 1 37 37 ALA HA H 37 4.127 4.127 3.987 0.140 18912 1144 1 7 . 1 1 37 37 ALA H H 37 8.215 8.215 8.978 -0.763 18912 1145 1 7 . 1 1 38 38 GLU N N 38 117.714 117.714 116.199 1.515 18912 1146 1 7 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.288 0.089 18912 1147 1 7 . 1 1 38 38 GLU H H 38 8.253 8.253 7.961 0.292 18912 1148 1 7 . 1 1 39 39 GLN N N 39 112.433 112.433 115.205 -2.772 18912 1149 1 7 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.968 -0.394 18912 1150 1 7 . 1 1 39 39 GLN H H 39 8.145 8.145 8.067 0.078 18912 1151 1 7 . 1 1 40 40 LYS N N 40 120.092 120.092 117.844 2.248 18912 1152 1 7 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.399 0.103 18912 1153 1 7 . 1 1 40 40 LYS H H 40 8.436 8.436 7.803 0.633 18912 1154 1 7 . 1 1 41 41 ASN N N 41 115.767 115.767 120.660 -4.893 18912 1155 1 7 . 1 1 41 41 ASN HA H 41 4.925 4.925 4.844 0.081 18912 1156 1 7 . 1 1 41 41 ASN H H 41 8.151 8.151 8.403 -0.252 18912 1157 1 7 . 1 1 42 42 LEU N N 42 121.155 121.155 119.168 1.987 18912 1158 1 7 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.656 -0.336 18912 1159 1 7 . 1 1 42 42 LEU H H 42 9.130 9.130 8.314 0.816 18912 1160 1 7 . 1 1 43 43 PHE N N 43 120.509 120.509 119.234 1.275 18912 1161 1 7 . 1 1 43 43 PHE HA H 43 5.465 5.465 5.039 0.426 18912 1162 1 7 . 1 1 43 43 PHE H H 43 8.406 8.406 8.446 -0.040 18912 1163 1 7 . 1 1 44 44 LEU N N 44 120.978 120.978 124.075 -3.097 18912 1164 1 7 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.356 -0.078 18912 1165 1 7 . 1 1 44 44 LEU H H 44 8.427 8.427 9.085 -0.658 18912 1166 1 7 . 1 1 45 45 ARG N N 45 120.074 120.074 119.943 0.131 18912 1167 1 7 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.282 -0.238 18912 1168 1 7 . 1 1 45 45 ARG H H 45 8.291 8.291 8.505 -0.214 18912 1169 1 7 . 1 1 46 46 LYS N N 46 121.707 121.707 118.421 3.286 18912 1170 1 7 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.559 -0.751 18912 1171 1 7 . 1 1 46 46 LYS H H 46 8.110 8.110 8.256 -0.146 18912 1172 1 7 . 1 1 47 47 GLY N N 47 114.992 114.992 113.687 1.305 18912 1173 1 7 . 1 1 47 47 GLY H H 47 9.514 9.514 9.045 0.469 18912 1174 1 7 . 1 1 48 48 LYS N N 48 122.565 122.565 119.174 3.391 18912 1175 1 7 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.872 -0.288 18912 1176 1 7 . 1 1 48 48 LYS H H 48 7.855 7.855 7.593 0.262 18912 1177 1 7 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.363 0.146 18912 1178 1 7 . 1 1 50 50 CYS N N 50 118.602 118.602 124.767 -6.165 18912 1179 1 7 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.737 0.202 18912 1180 1 7 . 1 1 50 50 CYS H H 50 8.274 8.274 8.668 -0.394 18912 1181 1 7 . 1 1 51 51 THR N N 51 112.483 112.483 114.816 -2.333 18912 1182 1 7 . 1 1 51 51 THR HA H 51 3.798 3.798 4.091 -0.293 18912 1183 1 7 . 1 1 51 51 THR H H 51 7.498 7.498 8.395 -0.897 18912 1184 1 7 . 1 1 52 52 VAL N N 52 108.404 108.404 116.813 -8.409 18912 1185 1 7 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.317 0.286 18912 1186 1 7 . 1 1 52 52 VAL H H 52 6.672 6.672 7.772 -1.100 18912 1187 1 7 . 1 1 53 53 GLY N N 53 109.222 109.222 108.482 0.740 18912 1188 1 7 . 1 1 53 53 GLY H H 53 6.481 6.481 7.440 -0.959 18912 1189 1 7 . 1 1 54 54 PHE N N 54 127.065 127.065 117.407 9.658 18912 1190 1 7 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.703 -0.575 18912 1191 1 7 . 1 1 54 54 PHE H H 54 9.314 9.314 9.009 0.305 18912 1192 1 7 . 1 1 55 55 CYS N N 55 121.901 121.901 121.746 0.155 18912 1193 1 7 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.437 -0.316 18912 1194 1 7 . 1 1 55 55 CYS H H 55 9.375 9.375 9.022 0.353 18912 1195 1 7 . 1 1 56 56 ASP N N 56 127.032 127.032 125.945 1.087 18912 1196 1 7 . 1 1 56 56 ASP HA H 56 4.785 4.785 4.997 -0.212 18912 1197 1 7 . 1 1 56 56 ASP H H 56 9.135 9.135 9.228 -0.093 18912 1198 1 7 . 1 1 57 57 MET N N 57 113.781 113.781 118.403 -4.622 18912 1199 1 7 . 1 1 57 57 MET HA H 57 4.405 4.405 4.236 0.169 18912 1200 1 7 . 1 1 57 57 MET H H 57 8.246 8.246 8.488 -0.242 18912 1201 1 7 . 1 1 58 58 ASN N N 58 118.453 118.453 115.134 3.319 18912 1202 1 7 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.412 0.239 18912 1203 1 7 . 1 1 58 58 ASN H H 58 8.678 8.678 8.900 -0.222 18912 1204 1 7 . 1 1 59 59 GLY N N 59 107.488 107.488 107.256 0.232 18912 1205 1 7 . 1 1 59 59 GLY H H 59 7.820 7.820 8.580 -0.760 18912 1206 1 7 . 1 1 60 60 LYS N N 60 123.743 123.743 119.828 3.915 18912 1207 1 7 . 1 1 60 60 LYS HA H 60 4.414 4.414 5.393 -0.979 18912 1208 1 7 . 1 1 60 60 LYS H H 60 8.471 8.471 9.292 -0.821 18912 1209 1 7 . 1 1 61 61 CYS N N 61 124.711 124.711 121.587 3.124 18912 1210 1 7 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.507 -0.908 18912 1211 1 7 . 1 1 61 61 CYS H H 61 8.613 8.613 8.785 -0.172 18912 1212 1 8 . 1 1 2 2 CYS N N 2 116.766 116.766 123.454 -6.688 18912 1213 1 8 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.200 -0.629 18912 1214 1 8 . 1 1 2 2 CYS H H 2 8.485 8.485 8.687 -0.202 18912 1215 1 8 . 1 1 3 3 GLU N N 3 124.348 124.348 120.270 4.078 18912 1216 1 8 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.216 -0.253 18912 1217 1 8 . 1 1 3 3 GLU H H 3 9.345 9.345 8.376 0.969 18912 1218 1 8 . 1 1 4 4 ARG N N 4 119.167 119.167 118.523 0.644 18912 1219 1 8 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.382 -0.423 18912 1220 1 8 . 1 1 4 4 ARG H H 4 8.390 8.390 8.062 0.328 18912 1221 1 8 . 1 1 5 5 GLU N N 5 114.022 114.022 118.735 -4.713 18912 1222 1 8 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.211 0.020 18912 1223 1 8 . 1 1 5 5 GLU H H 5 8.309 8.309 7.621 0.688 18912 1224 1 8 . 1 1 6 6 GLN N N 6 113.489 113.489 115.118 -1.629 18912 1225 1 8 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.385 0.160 18912 1226 1 8 . 1 1 6 6 GLN H H 6 7.210 7.210 7.942 -0.732 18912 1227 1 8 . 1 1 7 7 GLN N N 7 114.953 114.953 113.676 1.277 18912 1228 1 8 . 1 1 7 7 GLN HA H 7 4.090 4.090 3.961 0.129 18912 1229 1 8 . 1 1 7 7 GLN H H 7 7.454 7.454 7.996 -0.542 18912 1230 1 8 . 1 1 8 8 LEU N N 8 118.695 118.695 118.555 0.140 18912 1231 1 8 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.538 0.175 18912 1232 1 8 . 1 1 8 8 LEU H H 8 7.414 7.414 7.385 0.029 18912 1233 1 8 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.240 0.068 18912 1234 1 8 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.162 0.465 18912 1235 1 8 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.641 0.137 18912 1236 1 8 . 1 1 9 9 GLU H H 9 8.250 8.250 8.483 -0.233 18912 1237 1 8 . 1 1 10 10 SER N N 10 120.943 120.943 117.843 3.100 18912 1238 1 8 . 1 1 10 10 SER HA H 10 5.063 5.063 4.631 0.432 18912 1239 1 8 . 1 1 10 10 SER H H 10 8.886 8.886 8.183 0.703 18912 1240 1 8 . 1 1 11 11 CYS N N 11 118.295 118.295 117.838 0.457 18912 1241 1 8 . 1 1 11 11 CYS HA H 11 4.843 4.843 5.054 -0.211 18912 1242 1 8 . 1 1 11 11 CYS H H 11 8.094 8.094 8.155 -0.061 18912 1243 1 8 . 1 1 12 12 ALA N N 12 123.087 123.087 122.251 0.836 18912 1244 1 8 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.844 -0.050 18912 1245 1 8 . 1 1 12 12 ALA H H 12 8.419 8.419 8.325 0.094 18912 1246 1 8 . 1 1 13 13 CYS N N 13 123.511 123.511 123.907 -0.396 18912 1247 1 8 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.359 -0.156 18912 1248 1 8 . 1 1 13 13 CYS H H 13 9.174 9.174 8.148 1.026 18912 1249 1 8 . 1 1 14 14 ASN N N 14 118.292 118.292 120.888 -2.596 18912 1250 1 8 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.453 0.060 18912 1251 1 8 . 1 1 14 14 ASN H H 14 8.290 8.290 8.671 -0.381 18912 1252 1 8 . 1 1 15 15 GLU N N 15 119.065 119.065 118.514 0.551 18912 1253 1 8 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.277 0.195 18912 1254 1 8 . 1 1 15 15 GLU H H 15 8.197 8.197 7.901 0.296 18912 1255 1 8 . 1 1 16 16 THR HA H 16 3.823 3.823 3.998 -0.175 18912 1256 1 8 . 1 1 16 16 THR CA C 16 67.200 67.200 67.049 0.151 18912 1257 1 8 . 1 1 16 16 THR CB C 16 68.382 68.382 68.844 -0.462 18912 1258 1 8 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.525 -0.043 18912 1259 1 8 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.012 -0.529 18912 1260 1 8 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.054 -1.050 18912 1261 1 8 . 1 1 18 18 ASN N N 18 114.925 114.925 117.779 -2.854 18912 1262 1 8 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.630 0.344 18912 1263 1 8 . 1 1 18 18 ASN H H 18 7.606 7.606 8.938 -1.333 18912 1264 1 8 . 1 1 19 19 SER N N 19 115.866 115.866 114.537 1.329 18912 1265 1 8 . 1 1 19 19 SER HA H 19 4.209 4.209 4.433 -0.224 18912 1266 1 8 . 1 1 19 19 SER H H 19 7.702 7.702 7.892 -0.190 18912 1267 1 8 . 1 1 20 20 CYS N N 20 118.266 118.266 120.668 -2.402 18912 1268 1 8 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.695 0.283 18912 1269 1 8 . 1 1 20 20 CYS H H 20 8.811 8.811 7.538 1.273 18912 1270 1 8 . 1 1 21 21 LYS N N 21 120.561 120.561 119.928 0.633 18912 1271 1 8 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.914 0.198 18912 1272 1 8 . 1 1 21 21 LYS H H 21 7.715 7.715 7.662 0.053 18912 1273 1 8 . 1 1 22 22 VAL N N 22 119.640 119.640 122.682 -3.042 18912 1274 1 8 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.904 -0.149 18912 1275 1 8 . 1 1 22 22 VAL H H 22 8.422 8.422 8.120 0.302 18912 1276 1 8 . 1 1 23 23 CYS N N 23 129.569 129.569 125.976 3.593 18912 1277 1 8 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.046 0.355 18912 1278 1 8 . 1 1 23 23 CYS H H 23 9.030 9.030 8.421 0.609 18912 1279 1 8 . 1 1 24 24 CYS N N 24 116.307 116.307 120.062 -3.755 18912 1280 1 8 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.464 -0.074 18912 1281 1 8 . 1 1 24 24 CYS H H 24 8.746 8.746 9.310 -0.564 18912 1282 1 8 . 1 1 25 25 ARG N N 25 125.239 125.239 121.870 3.369 18912 1283 1 8 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.504 -0.571 18912 1284 1 8 . 1 1 25 25 ARG H H 25 9.219 9.219 8.671 0.548 18912 1285 1 8 . 1 1 26 26 ASP N N 26 125.707 125.707 125.674 0.033 18912 1286 1 8 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.770 -0.079 18912 1287 1 8 . 1 1 26 26 ASP H H 26 8.825 8.825 8.293 0.532 18912 1288 1 8 . 1 1 27 27 LEU N N 27 117.682 117.682 118.559 -0.877 18912 1289 1 8 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.212 -0.049 18912 1290 1 8 . 1 1 27 27 LEU H H 27 8.238 8.238 8.369 -0.131 18912 1291 1 8 . 1 1 28 28 SER N N 28 115.328 115.328 112.533 2.795 18912 1292 1 8 . 1 1 28 28 SER HA H 28 4.550 4.550 4.437 0.113 18912 1293 1 8 . 1 1 28 28 SER H H 28 8.413 8.413 7.929 0.484 18912 1294 1 8 . 1 1 29 29 GLY N N 29 110.481 110.481 110.023 0.458 18912 1295 1 8 . 1 1 29 29 GLY H H 29 8.296 8.296 7.722 0.574 18912 1296 1 8 . 1 1 30 30 ARG N N 30 123.895 123.895 119.253 4.642 18912 1297 1 8 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.645 -0.377 18912 1298 1 8 . 1 1 30 30 ARG H H 30 8.180 8.180 8.995 -0.815 18912 1299 1 8 . 1 1 31 31 CYS N N 31 124.749 124.749 121.792 2.957 18912 1300 1 8 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.077 -0.239 18912 1301 1 8 . 1 1 31 31 CYS H H 31 9.030 9.030 8.620 0.410 18912 1302 1 8 . 1 1 32 32 VAL N N 32 125.179 125.179 127.437 -2.258 18912 1303 1 8 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.706 0.350 18912 1304 1 8 . 1 1 32 32 VAL H H 32 8.634 8.634 9.112 -0.478 18912 1305 1 8 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.568 0.537 18912 1306 1 8 . 1 1 34 34 TYR N N 34 125.935 125.935 127.320 -1.385 18912 1307 1 8 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.320 0.099 18912 1308 1 8 . 1 1 34 34 TYR H H 34 8.900 8.900 9.275 -0.375 18912 1309 1 8 . 1 1 35 35 VAL N N 35 128.155 128.155 125.384 2.771 18912 1310 1 8 . 1 1 35 35 VAL HA H 35 4.179 4.179 5.035 -0.856 18912 1311 1 8 . 1 1 35 35 VAL H H 35 7.347 7.347 8.044 -0.697 18912 1312 1 8 . 1 1 36 36 ASP N N 36 125.146 125.146 122.819 2.327 18912 1313 1 8 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.873 -0.518 18912 1314 1 8 . 1 1 36 36 ASP H H 36 8.367 8.367 8.040 0.327 18912 1315 1 8 . 1 1 37 37 ALA N N 37 119.166 119.166 122.162 -2.996 18912 1316 1 8 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.204 -0.077 18912 1317 1 8 . 1 1 37 37 ALA H H 37 8.215 8.215 8.489 -0.274 18912 1318 1 8 . 1 1 38 38 GLU N N 38 117.714 117.714 117.382 0.332 18912 1319 1 8 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.314 0.063 18912 1320 1 8 . 1 1 38 38 GLU H H 38 8.253 8.253 8.308 -0.055 18912 1321 1 8 . 1 1 39 39 GLN N N 39 112.433 112.433 113.972 -1.539 18912 1322 1 8 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.941 -0.367 18912 1323 1 8 . 1 1 39 39 GLN H H 39 8.145 8.145 8.147 -0.002 18912 1324 1 8 . 1 1 40 40 LYS N N 40 120.092 120.092 118.176 1.916 18912 1325 1 8 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.386 0.116 18912 1326 1 8 . 1 1 40 40 LYS H H 40 8.436 8.436 8.273 0.163 18912 1327 1 8 . 1 1 41 41 ASN N N 41 115.767 115.767 119.648 -3.881 18912 1328 1 8 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.078 -0.153 18912 1329 1 8 . 1 1 41 41 ASN H H 41 8.151 8.151 8.279 -0.128 18912 1330 1 8 . 1 1 42 42 LEU N N 42 121.155 121.155 119.473 1.682 18912 1331 1 8 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.497 -0.177 18912 1332 1 8 . 1 1 42 42 LEU H H 42 9.130 9.130 8.301 0.829 18912 1333 1 8 . 1 1 43 43 PHE N N 43 120.509 120.509 118.708 1.801 18912 1334 1 8 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.812 0.652 18912 1335 1 8 . 1 1 43 43 PHE H H 43 8.406 8.406 8.201 0.205 18912 1336 1 8 . 1 1 44 44 LEU N N 44 120.978 120.978 122.677 -1.699 18912 1337 1 8 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.201 0.077 18912 1338 1 8 . 1 1 44 44 LEU H H 44 8.427 8.427 8.878 -0.451 18912 1339 1 8 . 1 1 45 45 ARG N N 45 120.074 120.074 119.304 0.770 18912 1340 1 8 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.410 -0.366 18912 1341 1 8 . 1 1 45 45 ARG H H 45 8.291 8.291 8.440 -0.149 18912 1342 1 8 . 1 1 46 46 LYS N N 46 121.707 121.707 120.260 1.447 18912 1343 1 8 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.518 -0.710 18912 1344 1 8 . 1 1 46 46 LYS H H 46 8.110 8.110 8.427 -0.317 18912 1345 1 8 . 1 1 47 47 GLY N N 47 114.992 114.992 112.920 2.072 18912 1346 1 8 . 1 1 47 47 GLY H H 47 9.514 9.514 9.254 0.260 18912 1347 1 8 . 1 1 48 48 LYS N N 48 122.565 122.565 121.682 0.883 18912 1348 1 8 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.905 -0.321 18912 1349 1 8 . 1 1 48 48 LYS H H 48 7.855 7.855 7.650 0.205 18912 1350 1 8 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.566 -0.057 18912 1351 1 8 . 1 1 50 50 CYS N N 50 118.602 118.602 122.923 -4.321 18912 1352 1 8 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.875 0.064 18912 1353 1 8 . 1 1 50 50 CYS H H 50 8.274 8.274 8.631 -0.357 18912 1354 1 8 . 1 1 51 51 THR N N 51 112.483 112.483 115.858 -3.375 18912 1355 1 8 . 1 1 51 51 THR HA H 51 3.798 3.798 4.031 -0.233 18912 1356 1 8 . 1 1 51 51 THR H H 51 7.498 7.498 8.303 -0.805 18912 1357 1 8 . 1 1 52 52 VAL N N 52 108.404 108.404 118.352 -9.948 18912 1358 1 8 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.165 0.438 18912 1359 1 8 . 1 1 52 52 VAL H H 52 6.672 6.672 7.847 -1.175 18912 1360 1 8 . 1 1 53 53 GLY N N 53 109.222 109.222 106.812 2.410 18912 1361 1 8 . 1 1 53 53 GLY H H 53 6.481 6.481 7.215 -0.734 18912 1362 1 8 . 1 1 54 54 PHE N N 54 127.065 127.065 118.806 8.259 18912 1363 1 8 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.381 -0.253 18912 1364 1 8 . 1 1 54 54 PHE H H 54 9.314 9.314 8.769 0.545 18912 1365 1 8 . 1 1 55 55 CYS N N 55 121.901 121.901 122.872 -0.971 18912 1366 1 8 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.282 -0.161 18912 1367 1 8 . 1 1 55 55 CYS H H 55 9.375 9.375 9.124 0.251 18912 1368 1 8 . 1 1 56 56 ASP N N 56 127.032 127.032 127.314 -0.282 18912 1369 1 8 . 1 1 56 56 ASP HA H 56 4.785 4.785 4.958 -0.173 18912 1370 1 8 . 1 1 56 56 ASP H H 56 9.135 9.135 8.622 0.513 18912 1371 1 8 . 1 1 57 57 MET N N 57 113.781 113.781 119.956 -6.175 18912 1372 1 8 . 1 1 57 57 MET HA H 57 4.405 4.405 4.245 0.160 18912 1373 1 8 . 1 1 57 57 MET H H 57 8.246 8.246 8.494 -0.248 18912 1374 1 8 . 1 1 58 58 ASN N N 58 118.453 118.453 116.181 2.272 18912 1375 1 8 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.384 0.267 18912 1376 1 8 . 1 1 58 58 ASN H H 58 8.678 8.678 7.829 0.849 18912 1377 1 8 . 1 1 59 59 GLY N N 59 107.488 107.488 108.228 -0.740 18912 1378 1 8 . 1 1 59 59 GLY H H 59 7.820 7.820 8.174 -0.354 18912 1379 1 8 . 1 1 60 60 LYS N N 60 123.743 123.743 117.329 6.414 18912 1380 1 8 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.745 -0.331 18912 1381 1 8 . 1 1 60 60 LYS H H 60 8.471 8.471 7.370 1.101 18912 1382 1 8 . 1 1 61 61 CYS N N 61 124.711 124.711 120.495 4.216 18912 1383 1 8 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.573 -0.974 18912 1384 1 8 . 1 1 61 61 CYS H H 61 8.613 8.613 8.838 -0.225 18912 1385 1 9 . 1 1 2 2 CYS N N 2 116.766 116.766 120.687 -3.921 18912 1386 1 9 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.457 -0.886 18912 1387 1 9 . 1 1 2 2 CYS H H 2 8.485 8.485 7.382 1.103 18912 1388 1 9 . 1 1 3 3 GLU N N 3 124.348 124.348 123.395 0.953 18912 1389 1 9 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.151 -0.188 18912 1390 1 9 . 1 1 3 3 GLU H H 3 9.345 9.345 7.590 1.755 18912 1391 1 9 . 1 1 4 4 ARG N N 4 119.167 119.167 121.398 -2.231 18912 1392 1 9 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.032 -0.073 18912 1393 1 9 . 1 1 4 4 ARG H H 4 8.390 8.390 8.399 -0.009 18912 1394 1 9 . 1 1 5 5 GLU N N 5 114.022 114.022 116.980 -2.958 18912 1395 1 9 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.108 0.123 18912 1396 1 9 . 1 1 5 5 GLU H H 5 8.309 8.309 8.552 -0.243 18912 1397 1 9 . 1 1 6 6 GLN N N 6 113.489 113.489 113.441 0.048 18912 1398 1 9 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.502 0.043 18912 1399 1 9 . 1 1 6 6 GLN H H 6 7.210 7.210 8.132 -0.922 18912 1400 1 9 . 1 1 7 7 GLN N N 7 114.953 114.953 115.046 -0.093 18912 1401 1 9 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.187 -0.097 18912 1402 1 9 . 1 1 7 7 GLN H H 7 7.454 7.454 8.003 -0.549 18912 1403 1 9 . 1 1 8 8 LEU N N 8 118.695 118.695 118.767 -0.072 18912 1404 1 9 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.594 0.119 18912 1405 1 9 . 1 1 8 8 LEU H H 8 7.414 7.414 7.297 0.117 18912 1406 1 9 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.315 -0.007 18912 1407 1 9 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.608 0.019 18912 1408 1 9 . 1 1 9 9 GLU CB C 9 31.778 31.778 30.980 0.798 18912 1409 1 9 . 1 1 9 9 GLU H H 9 8.250 8.250 8.567 -0.317 18912 1410 1 9 . 1 1 10 10 SER N N 10 120.943 120.943 118.656 2.287 18912 1411 1 9 . 1 1 10 10 SER HA H 10 5.063 5.063 4.874 0.189 18912 1412 1 9 . 1 1 10 10 SER H H 10 8.886 8.886 8.440 0.446 18912 1413 1 9 . 1 1 11 11 CYS N N 11 118.295 118.295 119.989 -1.694 18912 1414 1 9 . 1 1 11 11 CYS HA H 11 4.843 4.843 5.247 -0.404 18912 1415 1 9 . 1 1 11 11 CYS H H 11 8.094 8.094 8.797 -0.703 18912 1416 1 9 . 1 1 12 12 ALA N N 12 123.087 123.087 121.169 1.918 18912 1417 1 9 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.670 0.124 18912 1418 1 9 . 1 1 12 12 ALA H H 12 8.419 8.419 8.259 0.160 18912 1419 1 9 . 1 1 13 13 CYS N N 13 123.511 123.511 123.260 0.251 18912 1420 1 9 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.382 -0.179 18912 1421 1 9 . 1 1 13 13 CYS H H 13 9.174 9.174 8.203 0.971 18912 1422 1 9 . 1 1 14 14 ASN N N 14 118.292 118.292 119.291 -0.999 18912 1423 1 9 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.492 0.021 18912 1424 1 9 . 1 1 14 14 ASN H H 14 8.290 8.290 8.760 -0.470 18912 1425 1 9 . 1 1 15 15 GLU N N 15 119.065 119.065 118.011 1.054 18912 1426 1 9 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.334 0.138 18912 1427 1 9 . 1 1 15 15 GLU H H 15 8.197 8.197 7.963 0.234 18912 1428 1 9 . 1 1 16 16 THR HA H 16 3.823 3.823 3.964 -0.141 18912 1429 1 9 . 1 1 16 16 THR CA C 16 67.200 67.200 67.310 -0.110 18912 1430 1 9 . 1 1 16 16 THR CB C 16 68.382 68.382 68.669 -0.287 18912 1431 1 9 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.572 -0.090 18912 1432 1 9 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.729 -1.246 18912 1433 1 9 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.259 -0.255 18912 1434 1 9 . 1 1 18 18 ASN N N 18 114.925 114.925 115.753 -0.828 18912 1435 1 9 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.681 0.293 18912 1436 1 9 . 1 1 18 18 ASN H H 18 7.606 7.606 8.380 -0.774 18912 1437 1 9 . 1 1 19 19 SER N N 19 115.866 115.866 115.932 -0.066 18912 1438 1 9 . 1 1 19 19 SER HA H 19 4.209 4.209 4.440 -0.231 18912 1439 1 9 . 1 1 19 19 SER H H 19 7.702 7.702 8.325 -0.623 18912 1440 1 9 . 1 1 20 20 CYS N N 20 118.266 118.266 120.153 -1.887 18912 1441 1 9 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.976 0.002 18912 1442 1 9 . 1 1 20 20 CYS H H 20 8.811 8.811 7.637 1.174 18912 1443 1 9 . 1 1 21 21 LYS N N 21 120.561 120.561 120.126 0.435 18912 1444 1 9 . 1 1 21 21 LYS HA H 21 5.112 5.112 5.090 0.022 18912 1445 1 9 . 1 1 21 21 LYS H H 21 7.715 7.715 7.822 -0.107 18912 1446 1 9 . 1 1 22 22 VAL N N 22 119.640 119.640 123.095 -3.455 18912 1447 1 9 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.041 -0.286 18912 1448 1 9 . 1 1 22 22 VAL H H 22 8.422 8.422 8.079 0.343 18912 1449 1 9 . 1 1 23 23 CYS N N 23 129.569 129.569 126.075 3.494 18912 1450 1 9 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.289 0.112 18912 1451 1 9 . 1 1 23 23 CYS H H 23 9.030 9.030 8.383 0.647 18912 1452 1 9 . 1 1 24 24 CYS N N 24 116.307 116.307 119.510 -3.203 18912 1453 1 9 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.538 -0.148 18912 1454 1 9 . 1 1 24 24 CYS H H 24 8.746 8.746 9.345 -0.599 18912 1455 1 9 . 1 1 25 25 ARG N N 25 125.239 125.239 122.122 3.117 18912 1456 1 9 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.515 -0.582 18912 1457 1 9 . 1 1 25 25 ARG H H 25 9.219 9.219 8.628 0.591 18912 1458 1 9 . 1 1 26 26 ASP N N 26 125.707 125.707 125.173 0.534 18912 1459 1 9 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.756 -0.065 18912 1460 1 9 . 1 1 26 26 ASP H H 26 8.825 8.825 8.065 0.760 18912 1461 1 9 . 1 1 27 27 LEU N N 27 117.682 117.682 117.908 -0.226 18912 1462 1 9 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.233 -0.070 18912 1463 1 9 . 1 1 27 27 LEU H H 27 8.238 8.238 8.383 -0.145 18912 1464 1 9 . 1 1 28 28 SER N N 28 115.328 115.328 113.074 2.254 18912 1465 1 9 . 1 1 28 28 SER HA H 28 4.550 4.550 4.422 0.128 18912 1466 1 9 . 1 1 28 28 SER H H 28 8.413 8.413 8.815 -0.402 18912 1467 1 9 . 1 1 29 29 GLY N N 29 110.481 110.481 109.606 0.875 18912 1468 1 9 . 1 1 29 29 GLY H H 29 8.296 8.296 7.483 0.813 18912 1469 1 9 . 1 1 30 30 ARG N N 30 123.895 123.895 118.330 5.565 18912 1470 1 9 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.695 -0.427 18912 1471 1 9 . 1 1 30 30 ARG H H 30 8.180 8.180 9.284 -1.104 18912 1472 1 9 . 1 1 31 31 CYS N N 31 124.749 124.749 119.150 5.599 18912 1473 1 9 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.345 -0.507 18912 1474 1 9 . 1 1 31 31 CYS H H 31 9.030 9.030 8.605 0.425 18912 1475 1 9 . 1 1 32 32 VAL N N 32 125.179 125.179 123.197 1.982 18912 1476 1 9 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.726 0.330 18912 1477 1 9 . 1 1 32 32 VAL H H 32 8.634 8.634 9.147 -0.513 18912 1478 1 9 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.517 0.588 18912 1479 1 9 . 1 1 34 34 TYR N N 34 125.935 125.935 126.598 -0.663 18912 1480 1 9 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.475 -0.056 18912 1481 1 9 . 1 1 34 34 TYR H H 34 8.900 8.900 9.036 -0.136 18912 1482 1 9 . 1 1 35 35 VAL N N 35 128.155 128.155 124.565 3.590 18912 1483 1 9 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.566 -0.387 18912 1484 1 9 . 1 1 35 35 VAL H H 35 7.347 7.347 7.584 -0.237 18912 1485 1 9 . 1 1 36 36 ASP N N 36 125.146 125.146 124.095 1.051 18912 1486 1 9 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.706 -0.351 18912 1487 1 9 . 1 1 36 36 ASP H H 36 8.367 8.367 8.041 0.326 18912 1488 1 9 . 1 1 37 37 ALA N N 37 119.166 119.166 126.125 -6.959 18912 1489 1 9 . 1 1 37 37 ALA HA H 37 4.127 4.127 3.983 0.144 18912 1490 1 9 . 1 1 37 37 ALA H H 37 8.215 8.215 8.593 -0.378 18912 1491 1 9 . 1 1 38 38 GLU N N 38 117.714 117.714 117.946 -0.232 18912 1492 1 9 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.268 0.109 18912 1493 1 9 . 1 1 38 38 GLU H H 38 8.253 8.253 8.022 0.231 18912 1494 1 9 . 1 1 39 39 GLN N N 39 112.433 112.433 112.487 -0.054 18912 1495 1 9 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.849 -0.275 18912 1496 1 9 . 1 1 39 39 GLN H H 39 8.145 8.145 8.368 -0.223 18912 1497 1 9 . 1 1 40 40 LYS N N 40 120.092 120.092 118.277 1.815 18912 1498 1 9 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.355 0.147 18912 1499 1 9 . 1 1 40 40 LYS H H 40 8.436 8.436 7.754 0.682 18912 1500 1 9 . 1 1 41 41 ASN N N 41 115.767 115.767 120.808 -5.041 18912 1501 1 9 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.222 -0.297 18912 1502 1 9 . 1 1 41 41 ASN H H 41 8.151 8.151 8.538 -0.387 18912 1503 1 9 . 1 1 42 42 LEU N N 42 121.155 121.155 119.786 1.369 18912 1504 1 9 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.835 -0.515 18912 1505 1 9 . 1 1 42 42 LEU H H 42 9.130 9.130 8.599 0.531 18912 1506 1 9 . 1 1 43 43 PHE N N 43 120.509 120.509 118.423 2.086 18912 1507 1 9 . 1 1 43 43 PHE HA H 43 5.465 5.465 5.051 0.414 18912 1508 1 9 . 1 1 43 43 PHE H H 43 8.406 8.406 8.313 0.092 18912 1509 1 9 . 1 1 44 44 LEU N N 44 120.978 120.978 122.595 -1.617 18912 1510 1 9 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.260 0.018 18912 1511 1 9 . 1 1 44 44 LEU H H 44 8.427 8.427 8.923 -0.496 18912 1512 1 9 . 1 1 45 45 ARG N N 45 120.074 120.074 119.612 0.462 18912 1513 1 9 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.143 -0.099 18912 1514 1 9 . 1 1 45 45 ARG H H 45 8.291 8.291 8.221 0.070 18912 1515 1 9 . 1 1 46 46 LYS N N 46 121.707 121.707 120.248 1.459 18912 1516 1 9 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.461 -0.653 18912 1517 1 9 . 1 1 46 46 LYS H H 46 8.110 8.110 8.178 -0.068 18912 1518 1 9 . 1 1 47 47 GLY N N 47 114.992 114.992 115.576 -0.584 18912 1519 1 9 . 1 1 47 47 GLY H H 47 9.514 9.514 9.086 0.428 18912 1520 1 9 . 1 1 48 48 LYS N N 48 122.565 122.565 121.844 0.721 18912 1521 1 9 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.722 -0.138 18912 1522 1 9 . 1 1 48 48 LYS H H 48 7.855 7.855 7.599 0.256 18912 1523 1 9 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.420 0.089 18912 1524 1 9 . 1 1 50 50 CYS N N 50 118.602 118.602 123.690 -5.088 18912 1525 1 9 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.864 0.075 18912 1526 1 9 . 1 1 50 50 CYS H H 50 8.274 8.274 8.638 -0.364 18912 1527 1 9 . 1 1 51 51 THR N N 51 112.483 112.483 114.411 -1.928 18912 1528 1 9 . 1 1 51 51 THR HA H 51 3.798 3.798 4.021 -0.223 18912 1529 1 9 . 1 1 51 51 THR H H 51 7.498 7.498 8.164 -0.666 18912 1530 1 9 . 1 1 52 52 VAL N N 52 108.404 108.404 116.591 -8.187 18912 1531 1 9 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.375 0.228 18912 1532 1 9 . 1 1 52 52 VAL H H 52 6.672 6.672 7.902 -1.230 18912 1533 1 9 . 1 1 53 53 GLY N N 53 109.222 109.222 107.467 1.755 18912 1534 1 9 . 1 1 53 53 GLY H H 53 6.481 6.481 7.294 -0.813 18912 1535 1 9 . 1 1 54 54 PHE N N 54 127.065 127.065 120.225 6.840 18912 1536 1 9 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.231 -0.103 18912 1537 1 9 . 1 1 54 54 PHE H H 54 9.314 9.314 8.153 1.161 18912 1538 1 9 . 1 1 55 55 CYS N N 55 121.901 121.901 121.625 0.276 18912 1539 1 9 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.299 -0.178 18912 1540 1 9 . 1 1 55 55 CYS H H 55 9.375 9.375 8.936 0.439 18912 1541 1 9 . 1 1 56 56 ASP N N 56 127.032 127.032 124.906 2.126 18912 1542 1 9 . 1 1 56 56 ASP HA H 56 4.785 4.785 4.998 -0.213 18912 1543 1 9 . 1 1 56 56 ASP H H 56 9.135 9.135 9.114 0.021 18912 1544 1 9 . 1 1 57 57 MET N N 57 113.781 113.781 123.342 -9.561 18912 1545 1 9 . 1 1 57 57 MET HA H 57 4.405 4.405 4.209 0.196 18912 1546 1 9 . 1 1 57 57 MET H H 57 8.246 8.246 8.565 -0.319 18912 1547 1 9 . 1 1 58 58 ASN N N 58 118.453 118.453 116.201 2.252 18912 1548 1 9 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.452 0.199 18912 1549 1 9 . 1 1 58 58 ASN H H 58 8.678 8.678 8.510 0.168 18912 1550 1 9 . 1 1 59 59 GLY N N 59 107.488 107.488 105.781 1.707 18912 1551 1 9 . 1 1 59 59 GLY H H 59 7.820 7.820 7.864 -0.044 18912 1552 1 9 . 1 1 60 60 LYS N N 60 123.743 123.743 118.668 5.075 18912 1553 1 9 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.836 -0.422 18912 1554 1 9 . 1 1 60 60 LYS H H 60 8.471 8.471 7.600 0.871 18912 1555 1 9 . 1 1 61 61 CYS N N 61 124.711 124.711 121.244 3.467 18912 1556 1 9 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.845 -1.246 18912 1557 1 9 . 1 1 61 61 CYS H H 61 8.613 8.613 8.819 -0.206 18912 1558 1 10 . 1 1 2 2 CYS N N 2 116.766 116.766 120.015 -3.249 18912 1559 1 10 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.451 -0.880 18912 1560 1 10 . 1 1 2 2 CYS H H 2 8.485 8.485 7.854 0.631 18912 1561 1 10 . 1 1 3 3 GLU N N 3 124.348 124.348 122.082 2.266 18912 1562 1 10 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.395 -0.432 18912 1563 1 10 . 1 1 3 3 GLU H H 3 9.345 9.345 8.523 0.822 18912 1564 1 10 . 1 1 4 4 ARG N N 4 119.167 119.167 118.970 0.197 18912 1565 1 10 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.275 -0.316 18912 1566 1 10 . 1 1 4 4 ARG H H 4 8.390 8.390 8.220 0.170 18912 1567 1 10 . 1 1 5 5 GLU N N 5 114.022 114.022 119.576 -5.554 18912 1568 1 10 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.103 0.128 18912 1569 1 10 . 1 1 5 5 GLU H H 5 8.309 8.309 8.433 -0.124 18912 1570 1 10 . 1 1 6 6 GLN N N 6 113.489 113.489 115.301 -1.812 18912 1571 1 10 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.361 0.184 18912 1572 1 10 . 1 1 6 6 GLN H H 6 7.210 7.210 7.697 -0.487 18912 1573 1 10 . 1 1 7 7 GLN N N 7 114.953 114.953 113.284 1.669 18912 1574 1 10 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.047 0.043 18912 1575 1 10 . 1 1 7 7 GLN H H 7 7.454 7.454 7.726 -0.272 18912 1576 1 10 . 1 1 8 8 LEU N N 8 118.695 118.695 118.679 0.016 18912 1577 1 10 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.642 0.071 18912 1578 1 10 . 1 1 8 8 LEU H H 8 7.414 7.414 7.775 -0.361 18912 1579 1 10 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.208 0.100 18912 1580 1 10 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.958 -0.331 18912 1581 1 10 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.433 0.344 18912 1582 1 10 . 1 1 9 9 GLU H H 9 8.250 8.250 8.617 -0.367 18912 1583 1 10 . 1 1 10 10 SER N N 10 120.943 120.943 117.970 2.973 18912 1584 1 10 . 1 1 10 10 SER HA H 10 5.063 5.063 4.827 0.236 18912 1585 1 10 . 1 1 10 10 SER H H 10 8.886 8.886 8.252 0.634 18912 1586 1 10 . 1 1 11 11 CYS N N 11 118.295 118.295 121.219 -2.924 18912 1587 1 10 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.756 0.087 18912 1588 1 10 . 1 1 11 11 CYS H H 11 8.094 8.094 8.305 -0.211 18912 1589 1 10 . 1 1 12 12 ALA N N 12 123.087 123.087 121.486 1.601 18912 1590 1 10 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.703 0.091 18912 1591 1 10 . 1 1 12 12 ALA H H 12 8.419 8.419 8.445 -0.026 18912 1592 1 10 . 1 1 13 13 CYS N N 13 123.511 123.511 124.881 -1.370 18912 1593 1 10 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.523 -0.320 18912 1594 1 10 . 1 1 13 13 CYS H H 13 9.174 9.174 8.930 0.244 18912 1595 1 10 . 1 1 14 14 ASN N N 14 118.292 118.292 120.056 -1.764 18912 1596 1 10 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.249 0.264 18912 1597 1 10 . 1 1 14 14 ASN H H 14 8.290 8.290 8.593 -0.303 18912 1598 1 10 . 1 1 15 15 GLU N N 15 119.065 119.065 117.867 1.198 18912 1599 1 10 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.292 0.180 18912 1600 1 10 . 1 1 15 15 GLU H H 15 8.197 8.197 8.317 -0.120 18912 1601 1 10 . 1 1 16 16 THR HA H 16 3.823 3.823 4.035 -0.212 18912 1602 1 10 . 1 1 16 16 THR CA C 16 67.200 67.200 66.888 0.312 18912 1603 1 10 . 1 1 16 16 THR CB C 16 68.382 68.382 68.823 -0.440 18912 1604 1 10 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.606 -0.124 18912 1605 1 10 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.535 -0.052 18912 1606 1 10 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.758 -0.754 18912 1607 1 10 . 1 1 18 18 ASN N N 18 114.925 114.925 117.687 -2.762 18912 1608 1 10 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.664 0.310 18912 1609 1 10 . 1 1 18 18 ASN H H 18 7.606 7.606 9.064 -1.458 18912 1610 1 10 . 1 1 19 19 SER N N 19 115.866 115.866 114.654 1.212 18912 1611 1 10 . 1 1 19 19 SER HA H 19 4.209 4.209 4.484 -0.275 18912 1612 1 10 . 1 1 19 19 SER H H 19 7.702 7.702 7.662 0.040 18912 1613 1 10 . 1 1 20 20 CYS N N 20 118.266 118.266 118.976 -0.710 18912 1614 1 10 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.804 0.174 18912 1615 1 10 . 1 1 20 20 CYS H H 20 8.811 8.811 8.028 0.783 18912 1616 1 10 . 1 1 21 21 LYS N N 21 120.561 120.561 120.523 0.038 18912 1617 1 10 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.640 0.472 18912 1618 1 10 . 1 1 21 21 LYS H H 21 7.715 7.715 7.339 0.376 18912 1619 1 10 . 1 1 22 22 VAL N N 22 119.640 119.640 124.783 -5.143 18912 1620 1 10 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.888 -0.133 18912 1621 1 10 . 1 1 22 22 VAL H H 22 8.422 8.422 8.035 0.387 18912 1622 1 10 . 1 1 23 23 CYS N N 23 129.569 129.569 125.733 3.836 18912 1623 1 10 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.466 -0.065 18912 1624 1 10 . 1 1 23 23 CYS H H 23 9.030 9.030 8.378 0.652 18912 1625 1 10 . 1 1 24 24 CYS N N 24 116.307 116.307 121.146 -4.839 18912 1626 1 10 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.536 -0.146 18912 1627 1 10 . 1 1 24 24 CYS H H 24 8.746 8.746 9.484 -0.738 18912 1628 1 10 . 1 1 25 25 ARG N N 25 125.239 125.239 121.486 3.753 18912 1629 1 10 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.476 -0.543 18912 1630 1 10 . 1 1 25 25 ARG H H 25 9.219 9.219 8.709 0.510 18912 1631 1 10 . 1 1 26 26 ASP N N 26 125.707 125.707 125.940 -0.233 18912 1632 1 10 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.805 -0.114 18912 1633 1 10 . 1 1 26 26 ASP H H 26 8.825 8.825 8.648 0.177 18912 1634 1 10 . 1 1 27 27 LEU N N 27 117.682 117.682 114.721 2.961 18912 1635 1 10 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.257 -0.094 18912 1636 1 10 . 1 1 27 27 LEU H H 27 8.238 8.238 8.324 -0.086 18912 1637 1 10 . 1 1 28 28 SER N N 28 115.328 115.328 113.015 2.313 18912 1638 1 10 . 1 1 28 28 SER HA H 28 4.550 4.550 4.419 0.131 18912 1639 1 10 . 1 1 28 28 SER H H 28 8.413 8.413 8.464 -0.051 18912 1640 1 10 . 1 1 29 29 GLY N N 29 110.481 110.481 110.594 -0.113 18912 1641 1 10 . 1 1 29 29 GLY H H 29 8.296 8.296 7.783 0.513 18912 1642 1 10 . 1 1 30 30 ARG N N 30 123.895 123.895 119.504 4.391 18912 1643 1 10 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.737 -0.469 18912 1644 1 10 . 1 1 30 30 ARG H H 30 8.180 8.180 8.910 -0.730 18912 1645 1 10 . 1 1 31 31 CYS N N 31 124.749 124.749 121.036 3.713 18912 1646 1 10 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.297 -0.459 18912 1647 1 10 . 1 1 31 31 CYS H H 31 9.030 9.030 8.866 0.164 18912 1648 1 10 . 1 1 32 32 VAL N N 32 125.179 125.179 121.627 3.552 18912 1649 1 10 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.700 0.356 18912 1650 1 10 . 1 1 32 32 VAL H H 32 8.634 8.634 9.178 -0.544 18912 1651 1 10 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.570 0.535 18912 1652 1 10 . 1 1 34 34 TYR N N 34 125.935 125.935 128.436 -2.501 18912 1653 1 10 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.367 0.052 18912 1654 1 10 . 1 1 34 34 TYR H H 34 8.900 8.900 9.288 -0.388 18912 1655 1 10 . 1 1 35 35 VAL N N 35 128.155 128.155 127.030 1.125 18912 1656 1 10 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.887 -0.708 18912 1657 1 10 . 1 1 35 35 VAL H H 35 7.347 7.347 8.033 -0.686 18912 1658 1 10 . 1 1 36 36 ASP N N 36 125.146 125.146 123.863 1.283 18912 1659 1 10 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.870 -0.515 18912 1660 1 10 . 1 1 36 36 ASP H H 36 8.367 8.367 7.955 0.412 18912 1661 1 10 . 1 1 37 37 ALA N N 37 119.166 119.166 120.639 -1.473 18912 1662 1 10 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.246 -0.119 18912 1663 1 10 . 1 1 37 37 ALA H H 37 8.215 8.215 8.581 -0.366 18912 1664 1 10 . 1 1 38 38 GLU N N 38 117.714 117.714 116.788 0.926 18912 1665 1 10 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.356 0.021 18912 1666 1 10 . 1 1 38 38 GLU H H 38 8.253 8.253 8.029 0.224 18912 1667 1 10 . 1 1 39 39 GLN N N 39 112.433 112.433 114.093 -1.660 18912 1668 1 10 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.906 -0.332 18912 1669 1 10 . 1 1 39 39 GLN H H 39 8.145 8.145 8.117 0.028 18912 1670 1 10 . 1 1 40 40 LYS N N 40 120.092 120.092 119.044 1.048 18912 1671 1 10 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.226 0.276 18912 1672 1 10 . 1 1 40 40 LYS H H 40 8.436 8.436 7.810 0.626 18912 1673 1 10 . 1 1 41 41 ASN N N 41 115.767 115.767 120.731 -4.964 18912 1674 1 10 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.310 -0.385 18912 1675 1 10 . 1 1 41 41 ASN H H 41 8.151 8.151 8.353 -0.202 18912 1676 1 10 . 1 1 42 42 LEU N N 42 121.155 121.155 119.802 1.353 18912 1677 1 10 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.751 -0.431 18912 1678 1 10 . 1 1 42 42 LEU H H 42 9.130 9.130 8.608 0.522 18912 1679 1 10 . 1 1 43 43 PHE N N 43 120.509 120.509 120.401 0.108 18912 1680 1 10 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.795 0.670 18912 1681 1 10 . 1 1 43 43 PHE H H 43 8.406 8.406 8.293 0.113 18912 1682 1 10 . 1 1 44 44 LEU N N 44 120.978 120.978 124.546 -3.568 18912 1683 1 10 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.141 0.137 18912 1684 1 10 . 1 1 44 44 LEU H H 44 8.427 8.427 8.475 -0.048 18912 1685 1 10 . 1 1 45 45 ARG N N 45 120.074 120.074 119.446 0.628 18912 1686 1 10 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.010 0.034 18912 1687 1 10 . 1 1 45 45 ARG H H 45 8.291 8.291 8.125 0.166 18912 1688 1 10 . 1 1 46 46 LYS N N 46 121.707 121.707 119.498 2.209 18912 1689 1 10 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.333 -0.525 18912 1690 1 10 . 1 1 46 46 LYS H H 46 8.110 8.110 8.171 -0.061 18912 1691 1 10 . 1 1 47 47 GLY N N 47 114.992 114.992 110.141 4.851 18912 1692 1 10 . 1 1 47 47 GLY H H 47 9.514 9.514 8.852 0.662 18912 1693 1 10 . 1 1 48 48 LYS N N 48 122.565 122.565 122.413 0.152 18912 1694 1 10 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.648 -0.064 18912 1695 1 10 . 1 1 48 48 LYS H H 48 7.855 7.855 7.665 0.190 18912 1696 1 10 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.436 0.073 18912 1697 1 10 . 1 1 50 50 CYS N N 50 118.602 118.602 122.929 -4.327 18912 1698 1 10 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.837 0.102 18912 1699 1 10 . 1 1 50 50 CYS H H 50 8.274 8.274 8.456 -0.182 18912 1700 1 10 . 1 1 51 51 THR N N 51 112.483 112.483 115.221 -2.738 18912 1701 1 10 . 1 1 51 51 THR HA H 51 3.798 3.798 3.994 -0.196 18912 1702 1 10 . 1 1 51 51 THR H H 51 7.498 7.498 8.107 -0.609 18912 1703 1 10 . 1 1 52 52 VAL N N 52 108.404 108.404 117.948 -9.544 18912 1704 1 10 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.248 0.355 18912 1705 1 10 . 1 1 52 52 VAL H H 52 6.672 6.672 7.673 -1.001 18912 1706 1 10 . 1 1 53 53 GLY N N 53 109.222 109.222 106.484 2.738 18912 1707 1 10 . 1 1 53 53 GLY H H 53 6.481 6.481 7.461 -0.980 18912 1708 1 10 . 1 1 54 54 PHE N N 54 127.065 127.065 118.799 8.266 18912 1709 1 10 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.459 -0.331 18912 1710 1 10 . 1 1 54 54 PHE H H 54 9.314 9.314 8.123 1.191 18912 1711 1 10 . 1 1 55 55 CYS N N 55 121.901 121.901 120.970 0.931 18912 1712 1 10 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.588 -0.467 18912 1713 1 10 . 1 1 55 55 CYS H H 55 9.375 9.375 8.961 0.414 18912 1714 1 10 . 1 1 56 56 ASP N N 56 127.032 127.032 124.162 2.870 18912 1715 1 10 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.103 -0.318 18912 1716 1 10 . 1 1 56 56 ASP H H 56 9.135 9.135 8.948 0.187 18912 1717 1 10 . 1 1 57 57 MET N N 57 113.781 113.781 118.554 -4.773 18912 1718 1 10 . 1 1 57 57 MET HA H 57 4.405 4.405 4.108 0.297 18912 1719 1 10 . 1 1 57 57 MET H H 57 8.246 8.246 8.398 -0.152 18912 1720 1 10 . 1 1 58 58 ASN N N 58 118.453 118.453 115.281 3.172 18912 1721 1 10 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.458 0.193 18912 1722 1 10 . 1 1 58 58 ASN H H 58 8.678 8.678 8.113 0.565 18912 1723 1 10 . 1 1 59 59 GLY N N 59 107.488 107.488 107.728 -0.240 18912 1724 1 10 . 1 1 59 59 GLY H H 59 7.820 7.820 7.728 0.092 18912 1725 1 10 . 1 1 60 60 LYS N N 60 123.743 123.743 119.126 4.617 18912 1726 1 10 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.759 -0.345 18912 1727 1 10 . 1 1 60 60 LYS H H 60 8.471 8.471 7.437 1.034 18912 1728 1 10 . 1 1 61 61 CYS N N 61 124.711 124.711 123.574 1.137 18912 1729 1 10 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.157 -0.558 18912 1730 1 10 . 1 1 61 61 CYS H H 61 8.613 8.613 9.440 -0.827 18912 1731 1 11 . 1 1 2 2 CYS N N 2 116.766 116.766 118.918 -2.152 18912 1732 1 11 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.533 -0.962 18912 1733 1 11 . 1 1 2 2 CYS H H 2 8.485 8.485 7.216 1.269 18912 1734 1 11 . 1 1 3 3 GLU N N 3 124.348 124.348 122.113 2.235 18912 1735 1 11 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.068 -0.105 18912 1736 1 11 . 1 1 3 3 GLU H H 3 9.345 9.345 8.319 1.026 18912 1737 1 11 . 1 1 4 4 ARG N N 4 119.167 119.167 120.707 -1.540 18912 1738 1 11 . 1 1 4 4 ARG HA H 4 3.959 3.959 3.988 -0.029 18912 1739 1 11 . 1 1 4 4 ARG H H 4 8.390 8.390 8.451 -0.061 18912 1740 1 11 . 1 1 5 5 GLU N N 5 114.022 114.022 118.679 -4.657 18912 1741 1 11 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.128 0.103 18912 1742 1 11 . 1 1 5 5 GLU H H 5 8.309 8.309 8.431 -0.122 18912 1743 1 11 . 1 1 6 6 GLN N N 6 113.489 113.489 116.799 -3.310 18912 1744 1 11 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.448 0.097 18912 1745 1 11 . 1 1 6 6 GLN H H 6 7.210 7.210 7.474 -0.264 18912 1746 1 11 . 1 1 7 7 GLN N N 7 114.953 114.953 114.597 0.356 18912 1747 1 11 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.061 0.029 18912 1748 1 11 . 1 1 7 7 GLN H H 7 7.454 7.454 7.754 -0.300 18912 1749 1 11 . 1 1 8 8 LEU N N 8 118.695 118.695 118.074 0.621 18912 1750 1 11 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.477 0.236 18912 1751 1 11 . 1 1 8 8 LEU H H 8 7.414 7.414 7.539 -0.125 18912 1752 1 11 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.243 0.065 18912 1753 1 11 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.163 0.464 18912 1754 1 11 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.698 0.080 18912 1755 1 11 . 1 1 9 9 GLU H H 9 8.250 8.250 8.635 -0.385 18912 1756 1 11 . 1 1 10 10 SER N N 10 120.943 120.943 116.596 4.347 18912 1757 1 11 . 1 1 10 10 SER HA H 10 5.063 5.063 4.736 0.327 18912 1758 1 11 . 1 1 10 10 SER H H 10 8.886 8.886 8.336 0.550 18912 1759 1 11 . 1 1 11 11 CYS N N 11 118.295 118.295 118.124 0.171 18912 1760 1 11 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.787 0.056 18912 1761 1 11 . 1 1 11 11 CYS H H 11 8.094 8.094 8.518 -0.424 18912 1762 1 11 . 1 1 12 12 ALA N N 12 123.087 123.087 122.042 1.045 18912 1763 1 11 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.784 0.010 18912 1764 1 11 . 1 1 12 12 ALA H H 12 8.419 8.419 8.308 0.111 18912 1765 1 11 . 1 1 13 13 CYS N N 13 123.511 123.511 123.778 -0.267 18912 1766 1 11 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.375 -0.172 18912 1767 1 11 . 1 1 13 13 CYS H H 13 9.174 9.174 8.572 0.602 18912 1768 1 11 . 1 1 14 14 ASN N N 14 118.292 118.292 120.044 -1.752 18912 1769 1 11 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.538 -0.025 18912 1770 1 11 . 1 1 14 14 ASN H H 14 8.290 8.290 8.563 -0.273 18912 1771 1 11 . 1 1 15 15 GLU N N 15 119.065 119.065 120.104 -1.039 18912 1772 1 11 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.342 0.130 18912 1773 1 11 . 1 1 15 15 GLU H H 15 8.197 8.197 8.195 0.002 18912 1774 1 11 . 1 1 16 16 THR HA H 16 3.823 3.823 3.923 -0.100 18912 1775 1 11 . 1 1 16 16 THR CA C 16 67.200 67.200 67.091 0.109 18912 1776 1 11 . 1 1 16 16 THR CB C 16 68.382 68.382 68.714 -0.332 18912 1777 1 11 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.404 0.078 18912 1778 1 11 . 1 1 17 17 ASP CA C 17 56.483 56.483 58.154 -1.671 18912 1779 1 11 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.724 -0.720 18912 1780 1 11 . 1 1 18 18 ASN N N 18 114.925 114.925 116.573 -1.648 18912 1781 1 11 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.586 0.388 18912 1782 1 11 . 1 1 18 18 ASN H H 18 7.606 7.606 8.509 -0.903 18912 1783 1 11 . 1 1 19 19 SER N N 19 115.866 115.866 114.870 0.996 18912 1784 1 11 . 1 1 19 19 SER HA H 19 4.209 4.209 4.398 -0.189 18912 1785 1 11 . 1 1 19 19 SER H H 19 7.702 7.702 8.178 -0.476 18912 1786 1 11 . 1 1 20 20 CYS N N 20 118.266 118.266 120.677 -2.411 18912 1787 1 11 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.656 0.322 18912 1788 1 11 . 1 1 20 20 CYS H H 20 8.811 8.811 7.707 1.104 18912 1789 1 11 . 1 1 21 21 LYS N N 21 120.561 120.561 119.704 0.857 18912 1790 1 11 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.839 0.273 18912 1791 1 11 . 1 1 21 21 LYS H H 21 7.715 7.715 7.932 -0.217 18912 1792 1 11 . 1 1 22 22 VAL N N 22 119.640 119.640 122.746 -3.106 18912 1793 1 11 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.125 -0.370 18912 1794 1 11 . 1 1 22 22 VAL H H 22 8.422 8.422 8.307 0.115 18912 1795 1 11 . 1 1 23 23 CYS N N 23 129.569 129.569 126.444 3.125 18912 1796 1 11 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.001 0.400 18912 1797 1 11 . 1 1 23 23 CYS H H 23 9.030 9.030 8.591 0.439 18912 1798 1 11 . 1 1 24 24 CYS N N 24 116.307 116.307 121.814 -5.507 18912 1799 1 11 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.141 0.249 18912 1800 1 11 . 1 1 24 24 CYS H H 24 8.746 8.746 9.448 -0.702 18912 1801 1 11 . 1 1 25 25 ARG N N 25 125.239 125.239 121.584 3.655 18912 1802 1 11 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.077 -0.144 18912 1803 1 11 . 1 1 25 25 ARG H H 25 9.219 9.219 8.593 0.626 18912 1804 1 11 . 1 1 26 26 ASP N N 26 125.707 125.707 125.345 0.362 18912 1805 1 11 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.623 0.068 18912 1806 1 11 . 1 1 26 26 ASP H H 26 8.825 8.825 8.481 0.344 18912 1807 1 11 . 1 1 27 27 LEU N N 27 117.682 117.682 120.095 -2.413 18912 1808 1 11 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.198 -0.035 18912 1809 1 11 . 1 1 27 27 LEU H H 27 8.238 8.238 8.408 -0.170 18912 1810 1 11 . 1 1 28 28 SER N N 28 115.328 115.328 112.545 2.783 18912 1811 1 11 . 1 1 28 28 SER HA H 28 4.550 4.550 4.441 0.109 18912 1812 1 11 . 1 1 28 28 SER H H 28 8.413 8.413 9.022 -0.609 18912 1813 1 11 . 1 1 29 29 GLY N N 29 110.481 110.481 110.279 0.202 18912 1814 1 11 . 1 1 29 29 GLY H H 29 8.296 8.296 7.750 0.546 18912 1815 1 11 . 1 1 30 30 ARG N N 30 123.895 123.895 119.718 4.177 18912 1816 1 11 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.417 -0.149 18912 1817 1 11 . 1 1 30 30 ARG H H 30 8.180 8.180 7.657 0.523 18912 1818 1 11 . 1 1 31 31 CYS N N 31 124.749 124.749 122.644 2.105 18912 1819 1 11 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.032 -0.194 18912 1820 1 11 . 1 1 31 31 CYS H H 31 9.030 9.030 8.587 0.443 18912 1821 1 11 . 1 1 32 32 VAL N N 32 125.179 125.179 127.533 -2.354 18912 1822 1 11 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.816 0.240 18912 1823 1 11 . 1 1 32 32 VAL H H 32 8.634 8.634 8.879 -0.245 18912 1824 1 11 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.580 0.525 18912 1825 1 11 . 1 1 34 34 TYR N N 34 125.935 125.935 127.132 -1.197 18912 1826 1 11 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.326 0.093 18912 1827 1 11 . 1 1 34 34 TYR H H 34 8.900 8.900 9.087 -0.187 18912 1828 1 11 . 1 1 35 35 VAL N N 35 128.155 128.155 126.263 1.892 18912 1829 1 11 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.951 -0.772 18912 1830 1 11 . 1 1 35 35 VAL H H 35 7.347 7.347 8.034 -0.687 18912 1831 1 11 . 1 1 36 36 ASP N N 36 125.146 125.146 125.439 -0.293 18912 1832 1 11 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.855 -0.500 18912 1833 1 11 . 1 1 36 36 ASP H H 36 8.367 8.367 8.094 0.273 18912 1834 1 11 . 1 1 37 37 ALA N N 37 119.166 119.166 126.948 -7.782 18912 1835 1 11 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.072 0.055 18912 1836 1 11 . 1 1 37 37 ALA H H 37 8.215 8.215 8.708 -0.493 18912 1837 1 11 . 1 1 38 38 GLU N N 38 117.714 117.714 118.300 -0.586 18912 1838 1 11 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.303 0.073 18912 1839 1 11 . 1 1 38 38 GLU H H 38 8.253 8.253 8.618 -0.365 18912 1840 1 11 . 1 1 39 39 GLN N N 39 112.433 112.433 113.014 -0.581 18912 1841 1 11 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.872 -0.298 18912 1842 1 11 . 1 1 39 39 GLN H H 39 8.145 8.145 8.285 -0.140 18912 1843 1 11 . 1 1 40 40 LYS N N 40 120.092 120.092 119.360 0.732 18912 1844 1 11 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.193 0.309 18912 1845 1 11 . 1 1 40 40 LYS H H 40 8.436 8.436 8.025 0.411 18912 1846 1 11 . 1 1 41 41 ASN N N 41 115.767 115.767 119.223 -3.456 18912 1847 1 11 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.123 -0.198 18912 1848 1 11 . 1 1 41 41 ASN H H 41 8.151 8.151 8.383 -0.232 18912 1849 1 11 . 1 1 42 42 LEU N N 42 121.155 121.155 120.850 0.305 18912 1850 1 11 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.631 -0.311 18912 1851 1 11 . 1 1 42 42 LEU H H 42 9.130 9.130 8.506 0.624 18912 1852 1 11 . 1 1 43 43 PHE N N 43 120.509 120.509 121.311 -0.802 18912 1853 1 11 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.757 0.708 18912 1854 1 11 . 1 1 43 43 PHE H H 43 8.406 8.406 8.184 0.222 18912 1855 1 11 . 1 1 44 44 LEU N N 44 120.978 120.978 120.959 0.019 18912 1856 1 11 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.140 0.138 18912 1857 1 11 . 1 1 44 44 LEU H H 44 8.427 8.427 8.700 -0.273 18912 1858 1 11 . 1 1 45 45 ARG N N 45 120.074 120.074 117.414 2.660 18912 1859 1 11 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.642 -0.598 18912 1860 1 11 . 1 1 45 45 ARG H H 45 8.291 8.291 8.381 -0.090 18912 1861 1 11 . 1 1 46 46 LYS N N 46 121.707 121.707 119.880 1.827 18912 1862 1 11 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.584 -0.776 18912 1863 1 11 . 1 1 46 46 LYS H H 46 8.110 8.110 8.186 -0.076 18912 1864 1 11 . 1 1 47 47 GLY N N 47 114.992 114.992 112.954 2.038 18912 1865 1 11 . 1 1 47 47 GLY H H 47 9.514 9.514 9.273 0.241 18912 1866 1 11 . 1 1 48 48 LYS N N 48 122.565 122.565 121.366 1.199 18912 1867 1 11 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.764 -0.180 18912 1868 1 11 . 1 1 48 48 LYS H H 48 7.855 7.855 7.648 0.207 18912 1869 1 11 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.774 -0.265 18912 1870 1 11 . 1 1 50 50 CYS N N 50 118.602 118.602 123.020 -4.418 18912 1871 1 11 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.929 0.010 18912 1872 1 11 . 1 1 50 50 CYS H H 50 8.274 8.274 8.830 -0.556 18912 1873 1 11 . 1 1 51 51 THR N N 51 112.483 112.483 114.849 -2.366 18912 1874 1 11 . 1 1 51 51 THR HA H 51 3.798 3.798 4.030 -0.232 18912 1875 1 11 . 1 1 51 51 THR H H 51 7.498 7.498 8.236 -0.738 18912 1876 1 11 . 1 1 52 52 VAL N N 52 108.404 108.404 117.310 -8.906 18912 1877 1 11 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.229 0.374 18912 1878 1 11 . 1 1 52 52 VAL H H 52 6.672 6.672 8.022 -1.350 18912 1879 1 11 . 1 1 53 53 GLY N N 53 109.222 109.222 108.676 0.546 18912 1880 1 11 . 1 1 53 53 GLY H H 53 6.481 6.481 7.390 -0.909 18912 1881 1 11 . 1 1 54 54 PHE N N 54 127.065 127.065 118.323 8.742 18912 1882 1 11 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.578 -0.450 18912 1883 1 11 . 1 1 54 54 PHE H H 54 9.314 9.314 9.338 -0.024 18912 1884 1 11 . 1 1 55 55 CYS N N 55 121.901 121.901 121.411 0.490 18912 1885 1 11 . 1 1 55 55 CYS HA H 55 5.121 5.121 4.946 0.175 18912 1886 1 11 . 1 1 55 55 CYS H H 55 9.375 9.375 8.974 0.401 18912 1887 1 11 . 1 1 56 56 ASP N N 56 127.032 127.032 126.286 0.746 18912 1888 1 11 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.163 -0.378 18912 1889 1 11 . 1 1 56 56 ASP H H 56 9.135 9.135 9.074 0.061 18912 1890 1 11 . 1 1 57 57 MET N N 57 113.781 113.781 117.901 -4.120 18912 1891 1 11 . 1 1 57 57 MET HA H 57 4.405 4.405 4.866 -0.461 18912 1892 1 11 . 1 1 57 57 MET H H 57 8.246 8.246 8.680 -0.434 18912 1893 1 11 . 1 1 58 58 ASN N N 58 118.453 118.453 116.706 1.747 18912 1894 1 11 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.536 0.115 18912 1895 1 11 . 1 1 58 58 ASN H H 58 8.678 8.678 7.871 0.807 18912 1896 1 11 . 1 1 59 59 GLY N N 59 107.488 107.488 109.262 -1.774 18912 1897 1 11 . 1 1 59 59 GLY H H 59 7.820 7.820 8.234 -0.414 18912 1898 1 11 . 1 1 60 60 LYS N N 60 123.743 123.743 118.181 5.562 18912 1899 1 11 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.645 -0.231 18912 1900 1 11 . 1 1 60 60 LYS H H 60 8.471 8.471 7.630 0.841 18912 1901 1 11 . 1 1 61 61 CYS N N 61 124.711 124.711 121.888 2.823 18912 1902 1 11 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.365 -0.766 18912 1903 1 11 . 1 1 61 61 CYS H H 61 8.613 8.613 8.584 0.029 18912 1904 1 12 . 1 1 2 2 CYS N N 2 116.766 116.766 117.933 -1.167 18912 1905 1 12 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.528 -0.957 18912 1906 1 12 . 1 1 2 2 CYS H H 2 8.485 8.485 8.592 -0.107 18912 1907 1 12 . 1 1 3 3 GLU N N 3 124.348 124.348 123.430 0.918 18912 1908 1 12 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.469 -0.506 18912 1909 1 12 . 1 1 3 3 GLU H H 3 9.345 9.345 8.513 0.832 18912 1910 1 12 . 1 1 4 4 ARG N N 4 119.167 119.167 118.996 0.171 18912 1911 1 12 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.237 -0.278 18912 1912 1 12 . 1 1 4 4 ARG H H 4 8.390 8.390 8.321 0.069 18912 1913 1 12 . 1 1 5 5 GLU N N 5 114.022 114.022 117.483 -3.461 18912 1914 1 12 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.049 0.182 18912 1915 1 12 . 1 1 5 5 GLU H H 5 8.309 8.309 8.409 -0.100 18912 1916 1 12 . 1 1 6 6 GLN N N 6 113.489 113.489 116.226 -2.737 18912 1917 1 12 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.411 0.134 18912 1918 1 12 . 1 1 6 6 GLN H H 6 7.210 7.210 7.920 -0.710 18912 1919 1 12 . 1 1 7 7 GLN N N 7 114.953 114.953 113.165 1.788 18912 1920 1 12 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.161 -0.071 18912 1921 1 12 . 1 1 7 7 GLN H H 7 7.454 7.454 7.962 -0.508 18912 1922 1 12 . 1 1 8 8 LEU N N 8 118.695 118.695 117.353 1.342 18912 1923 1 12 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.604 0.109 18912 1924 1 12 . 1 1 8 8 LEU H H 8 7.414 7.414 8.139 -0.725 18912 1925 1 12 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.546 -0.238 18912 1926 1 12 . 1 1 9 9 GLU CA C 9 55.627 55.627 53.902 1.725 18912 1927 1 12 . 1 1 9 9 GLU CB C 9 31.778 31.778 32.783 -1.005 18912 1928 1 12 . 1 1 9 9 GLU H H 9 8.250 8.250 8.607 -0.357 18912 1929 1 12 . 1 1 10 10 SER N N 10 120.943 120.943 117.966 2.977 18912 1930 1 12 . 1 1 10 10 SER HA H 10 5.063 5.063 4.846 0.217 18912 1931 1 12 . 1 1 10 10 SER H H 10 8.886 8.886 8.407 0.479 18912 1932 1 12 . 1 1 11 11 CYS N N 11 118.295 118.295 117.668 0.627 18912 1933 1 12 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.666 0.177 18912 1934 1 12 . 1 1 11 11 CYS H H 11 8.094 8.094 8.405 -0.311 18912 1935 1 12 . 1 1 12 12 ALA N N 12 123.087 123.087 121.634 1.453 18912 1936 1 12 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.672 0.122 18912 1937 1 12 . 1 1 12 12 ALA H H 12 8.419 8.419 8.201 0.218 18912 1938 1 12 . 1 1 13 13 CYS N N 13 123.511 123.511 123.701 -0.190 18912 1939 1 12 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.389 -0.186 18912 1940 1 12 . 1 1 13 13 CYS H H 13 9.174 9.174 8.299 0.875 18912 1941 1 12 . 1 1 14 14 ASN N N 14 118.292 118.292 120.349 -2.057 18912 1942 1 12 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.442 0.071 18912 1943 1 12 . 1 1 14 14 ASN H H 14 8.290 8.290 8.512 -0.222 18912 1944 1 12 . 1 1 15 15 GLU N N 15 119.065 119.065 118.239 0.826 18912 1945 1 12 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.310 0.162 18912 1946 1 12 . 1 1 15 15 GLU H H 15 8.197 8.197 7.841 0.356 18912 1947 1 12 . 1 1 16 16 THR HA H 16 3.823 3.823 4.011 -0.188 18912 1948 1 12 . 1 1 16 16 THR CA C 16 67.200 67.200 66.829 0.371 18912 1949 1 12 . 1 1 16 16 THR CB C 16 68.382 68.382 68.897 -0.515 18912 1950 1 12 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.599 -0.117 18912 1951 1 12 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.151 -0.668 18912 1952 1 12 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.926 -0.922 18912 1953 1 12 . 1 1 18 18 ASN N N 18 114.925 114.925 117.618 -2.693 18912 1954 1 12 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.622 0.352 18912 1955 1 12 . 1 1 18 18 ASN H H 18 7.606 7.606 9.010 -1.404 18912 1956 1 12 . 1 1 19 19 SER N N 19 115.866 115.866 115.015 0.851 18912 1957 1 12 . 1 1 19 19 SER HA H 19 4.209 4.209 4.431 -0.222 18912 1958 1 12 . 1 1 19 19 SER H H 19 7.702 7.702 7.943 -0.241 18912 1959 1 12 . 1 1 20 20 CYS N N 20 118.266 118.266 119.522 -1.256 18912 1960 1 12 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.538 0.440 18912 1961 1 12 . 1 1 20 20 CYS H H 20 8.811 8.811 7.690 1.121 18912 1962 1 12 . 1 1 21 21 LYS N N 21 120.561 120.561 119.143 1.418 18912 1963 1 12 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.690 0.422 18912 1964 1 12 . 1 1 21 21 LYS H H 21 7.715 7.715 7.609 0.106 18912 1965 1 12 . 1 1 22 22 VAL N N 22 119.640 119.640 122.838 -3.198 18912 1966 1 12 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.918 -0.163 18912 1967 1 12 . 1 1 22 22 VAL H H 22 8.422 8.422 8.261 0.161 18912 1968 1 12 . 1 1 23 23 CYS N N 23 129.569 129.569 125.866 3.703 18912 1969 1 12 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.089 0.312 18912 1970 1 12 . 1 1 23 23 CYS H H 23 9.030 9.030 8.260 0.770 18912 1971 1 12 . 1 1 24 24 CYS N N 24 116.307 116.307 120.787 -4.480 18912 1972 1 12 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.224 0.166 18912 1973 1 12 . 1 1 24 24 CYS H H 24 8.746 8.746 9.385 -0.639 18912 1974 1 12 . 1 1 25 25 ARG N N 25 125.239 125.239 120.389 4.850 18912 1975 1 12 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.633 -0.700 18912 1976 1 12 . 1 1 25 25 ARG H H 25 9.219 9.219 8.718 0.501 18912 1977 1 12 . 1 1 26 26 ASP N N 26 125.707 125.707 121.800 3.907 18912 1978 1 12 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.856 -0.165 18912 1979 1 12 . 1 1 26 26 ASP H H 26 8.825 8.825 8.163 0.662 18912 1980 1 12 . 1 1 27 27 LEU N N 27 117.682 117.682 119.354 -1.672 18912 1981 1 12 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.248 -0.085 18912 1982 1 12 . 1 1 27 27 LEU H H 27 8.238 8.238 8.444 -0.206 18912 1983 1 12 . 1 1 28 28 SER N N 28 115.328 115.328 113.037 2.291 18912 1984 1 12 . 1 1 28 28 SER HA H 28 4.550 4.550 4.508 0.042 18912 1985 1 12 . 1 1 28 28 SER H H 28 8.413 8.413 8.620 -0.207 18912 1986 1 12 . 1 1 29 29 GLY N N 29 110.481 110.481 110.490 -0.009 18912 1987 1 12 . 1 1 29 29 GLY H H 29 8.296 8.296 7.960 0.336 18912 1988 1 12 . 1 1 30 30 ARG N N 30 123.895 123.895 118.898 4.997 18912 1989 1 12 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.664 -0.396 18912 1990 1 12 . 1 1 30 30 ARG H H 30 8.180 8.180 9.079 -0.899 18912 1991 1 12 . 1 1 31 31 CYS N N 31 124.749 124.749 119.741 5.008 18912 1992 1 12 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.041 -0.203 18912 1993 1 12 . 1 1 31 31 CYS H H 31 9.030 9.030 8.577 0.453 18912 1994 1 12 . 1 1 32 32 VAL N N 32 125.179 125.179 126.400 -1.221 18912 1995 1 12 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.688 0.368 18912 1996 1 12 . 1 1 32 32 VAL H H 32 8.634 8.634 9.117 -0.483 18912 1997 1 12 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.562 0.543 18912 1998 1 12 . 1 1 34 34 TYR N N 34 125.935 125.935 128.115 -2.180 18912 1999 1 12 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.387 0.032 18912 2000 1 12 . 1 1 34 34 TYR H H 34 8.900 8.900 9.322 -0.422 18912 2001 1 12 . 1 1 35 35 VAL N N 35 128.155 128.155 126.020 2.135 18912 2002 1 12 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.951 -0.772 18912 2003 1 12 . 1 1 35 35 VAL H H 35 7.347 7.347 7.988 -0.641 18912 2004 1 12 . 1 1 36 36 ASP N N 36 125.146 125.146 124.501 0.645 18912 2005 1 12 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.853 -0.498 18912 2006 1 12 . 1 1 36 36 ASP H H 36 8.367 8.367 7.981 0.386 18912 2007 1 12 . 1 1 37 37 ALA N N 37 119.166 119.166 121.310 -2.144 18912 2008 1 12 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.152 -0.025 18912 2009 1 12 . 1 1 37 37 ALA H H 37 8.215 8.215 8.562 -0.347 18912 2010 1 12 . 1 1 38 38 GLU N N 38 117.714 117.714 118.040 -0.326 18912 2011 1 12 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.342 0.035 18912 2012 1 12 . 1 1 38 38 GLU H H 38 8.253 8.253 8.114 0.139 18912 2013 1 12 . 1 1 39 39 GLN N N 39 112.433 112.433 114.448 -2.015 18912 2014 1 12 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.894 -0.320 18912 2015 1 12 . 1 1 39 39 GLN H H 39 8.145 8.145 8.250 -0.105 18912 2016 1 12 . 1 1 40 40 LYS N N 40 120.092 120.092 119.229 0.863 18912 2017 1 12 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.184 0.318 18912 2018 1 12 . 1 1 40 40 LYS H H 40 8.436 8.436 7.741 0.695 18912 2019 1 12 . 1 1 41 41 ASN N N 41 115.767 115.767 119.175 -3.408 18912 2020 1 12 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.452 -0.527 18912 2021 1 12 . 1 1 41 41 ASN H H 41 8.151 8.151 8.343 -0.192 18912 2022 1 12 . 1 1 42 42 LEU N N 42 121.155 121.155 120.706 0.449 18912 2023 1 12 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.692 -0.372 18912 2024 1 12 . 1 1 42 42 LEU H H 42 9.130 9.130 8.654 0.476 18912 2025 1 12 . 1 1 43 43 PHE N N 43 120.509 120.509 123.747 -3.238 18912 2026 1 12 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.734 0.731 18912 2027 1 12 . 1 1 43 43 PHE H H 43 8.406 8.406 8.653 -0.247 18912 2028 1 12 . 1 1 44 44 LEU N N 44 120.978 120.978 126.038 -5.060 18912 2029 1 12 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.246 0.032 18912 2030 1 12 . 1 1 44 44 LEU H H 44 8.427 8.427 7.747 0.680 18912 2031 1 12 . 1 1 45 45 ARG N N 45 120.074 120.074 118.999 1.075 18912 2032 1 12 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.521 -0.477 18912 2033 1 12 . 1 1 45 45 ARG H H 45 8.291 8.291 8.407 -0.116 18912 2034 1 12 . 1 1 46 46 LYS N N 46 121.707 121.707 118.570 3.137 18912 2035 1 12 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.377 -0.569 18912 2036 1 12 . 1 1 46 46 LYS H H 46 8.110 8.110 8.139 -0.029 18912 2037 1 12 . 1 1 47 47 GLY N N 47 114.992 114.992 108.452 6.540 18912 2038 1 12 . 1 1 47 47 GLY H H 47 9.514 9.514 9.246 0.268 18912 2039 1 12 . 1 1 48 48 LYS N N 48 122.565 122.565 122.090 0.475 18912 2040 1 12 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.742 -0.158 18912 2041 1 12 . 1 1 48 48 LYS H H 48 7.855 7.855 7.864 -0.009 18912 2042 1 12 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.282 0.227 18912 2043 1 12 . 1 1 50 50 CYS N N 50 118.602 118.602 122.356 -3.754 18912 2044 1 12 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.828 0.111 18912 2045 1 12 . 1 1 50 50 CYS H H 50 8.274 8.274 8.458 -0.184 18912 2046 1 12 . 1 1 51 51 THR N N 51 112.483 112.483 114.914 -2.431 18912 2047 1 12 . 1 1 51 51 THR HA H 51 3.798 3.798 3.934 -0.136 18912 2048 1 12 . 1 1 51 51 THR H H 51 7.498 7.498 8.124 -0.626 18912 2049 1 12 . 1 1 52 52 VAL N N 52 108.404 108.404 117.198 -8.794 18912 2050 1 12 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.346 0.257 18912 2051 1 12 . 1 1 52 52 VAL H H 52 6.672 6.672 7.694 -1.022 18912 2052 1 12 . 1 1 53 53 GLY N N 53 109.222 109.222 106.746 2.476 18912 2053 1 12 . 1 1 53 53 GLY H H 53 6.481 6.481 7.510 -1.029 18912 2054 1 12 . 1 1 54 54 PHE N N 54 127.065 127.065 118.728 8.337 18912 2055 1 12 . 1 1 54 54 PHE HA H 54 5.128 5.128 4.972 0.156 18912 2056 1 12 . 1 1 54 54 PHE H H 54 9.314 9.314 8.006 1.308 18912 2057 1 12 . 1 1 55 55 CYS N N 55 121.901 121.901 121.787 0.114 18912 2058 1 12 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.669 -0.548 18912 2059 1 12 . 1 1 55 55 CYS H H 55 9.375 9.375 8.832 0.543 18912 2060 1 12 . 1 1 56 56 ASP N N 56 127.032 127.032 125.446 1.586 18912 2061 1 12 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.099 -0.314 18912 2062 1 12 . 1 1 56 56 ASP H H 56 9.135 9.135 8.795 0.340 18912 2063 1 12 . 1 1 57 57 MET N N 57 113.781 113.781 120.156 -6.375 18912 2064 1 12 . 1 1 57 57 MET HA H 57 4.405 4.405 4.636 -0.231 18912 2065 1 12 . 1 1 57 57 MET H H 57 8.246 8.246 8.519 -0.273 18912 2066 1 12 . 1 1 58 58 ASN N N 58 118.453 118.453 116.213 2.240 18912 2067 1 12 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.602 0.049 18912 2068 1 12 . 1 1 58 58 ASN H H 58 8.678 8.678 8.079 0.599 18912 2069 1 12 . 1 1 59 59 GLY N N 59 107.488 107.488 107.745 -0.257 18912 2070 1 12 . 1 1 59 59 GLY H H 59 7.820 7.820 8.524 -0.704 18912 2071 1 12 . 1 1 60 60 LYS N N 60 123.743 123.743 118.650 5.093 18912 2072 1 12 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.801 -0.387 18912 2073 1 12 . 1 1 60 60 LYS H H 60 8.471 8.471 7.548 0.923 18912 2074 1 12 . 1 1 61 61 CYS N N 61 124.711 124.711 120.911 3.800 18912 2075 1 12 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.557 -0.958 18912 2076 1 12 . 1 1 61 61 CYS H H 61 8.613 8.613 8.376 0.237 18912 2077 1 13 . 1 1 2 2 CYS N N 2 116.766 116.766 115.956 0.810 18912 2078 1 13 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.687 -1.116 18912 2079 1 13 . 1 1 2 2 CYS H H 2 8.485 8.485 8.482 0.003 18912 2080 1 13 . 1 1 3 3 GLU N N 3 124.348 124.348 125.009 -0.661 18912 2081 1 13 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.142 -0.179 18912 2082 1 13 . 1 1 3 3 GLU H H 3 9.345 9.345 8.634 0.711 18912 2083 1 13 . 1 1 4 4 ARG N N 4 119.167 119.167 119.493 -0.326 18912 2084 1 13 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.184 -0.225 18912 2085 1 13 . 1 1 4 4 ARG H H 4 8.390 8.390 8.419 -0.029 18912 2086 1 13 . 1 1 5 5 GLU N N 5 114.022 114.022 118.685 -4.663 18912 2087 1 13 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.162 0.069 18912 2088 1 13 . 1 1 5 5 GLU H H 5 8.309 8.309 8.312 -0.003 18912 2089 1 13 . 1 1 6 6 GLN N N 6 113.489 113.489 115.360 -1.871 18912 2090 1 13 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.603 -0.058 18912 2091 1 13 . 1 1 6 6 GLN H H 6 7.210 7.210 8.009 -0.799 18912 2092 1 13 . 1 1 7 7 GLN N N 7 114.953 114.953 114.848 0.105 18912 2093 1 13 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.151 -0.061 18912 2094 1 13 . 1 1 7 7 GLN H H 7 7.454 7.454 7.872 -0.418 18912 2095 1 13 . 1 1 8 8 LEU N N 8 118.695 118.695 118.501 0.194 18912 2096 1 13 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.399 0.314 18912 2097 1 13 . 1 1 8 8 LEU H H 8 7.414 7.414 7.628 -0.214 18912 2098 1 13 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.359 -0.051 18912 2099 1 13 . 1 1 9 9 GLU CA C 9 55.627 55.627 54.777 0.850 18912 2100 1 13 . 1 1 9 9 GLU CB C 9 31.778 31.778 32.103 -0.325 18912 2101 1 13 . 1 1 9 9 GLU H H 9 8.250 8.250 8.480 -0.230 18912 2102 1 13 . 1 1 10 10 SER N N 10 120.943 120.943 117.976 2.967 18912 2103 1 13 . 1 1 10 10 SER HA H 10 5.063 5.063 4.878 0.185 18912 2104 1 13 . 1 1 10 10 SER H H 10 8.886 8.886 8.400 0.486 18912 2105 1 13 . 1 1 11 11 CYS N N 11 118.295 118.295 117.090 1.205 18912 2106 1 13 . 1 1 11 11 CYS HA H 11 4.843 4.843 5.130 -0.287 18912 2107 1 13 . 1 1 11 11 CYS H H 11 8.094 8.094 8.715 -0.621 18912 2108 1 13 . 1 1 12 12 ALA N N 12 123.087 123.087 121.146 1.941 18912 2109 1 13 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.629 0.165 18912 2110 1 13 . 1 1 12 12 ALA H H 12 8.419 8.419 8.246 0.173 18912 2111 1 13 . 1 1 13 13 CYS N N 13 123.511 123.511 123.146 0.365 18912 2112 1 13 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.417 -0.214 18912 2113 1 13 . 1 1 13 13 CYS H H 13 9.174 9.174 8.464 0.710 18912 2114 1 13 . 1 1 14 14 ASN N N 14 118.292 118.292 119.902 -1.610 18912 2115 1 13 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.432 0.081 18912 2116 1 13 . 1 1 14 14 ASN H H 14 8.290 8.290 8.590 -0.300 18912 2117 1 13 . 1 1 15 15 GLU N N 15 119.065 119.065 118.090 0.975 18912 2118 1 13 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.297 0.175 18912 2119 1 13 . 1 1 15 15 GLU H H 15 8.197 8.197 7.859 0.338 18912 2120 1 13 . 1 1 16 16 THR HA H 16 3.823 3.823 4.024 -0.201 18912 2121 1 13 . 1 1 16 16 THR CA C 16 67.200 67.200 67.236 -0.036 18912 2122 1 13 . 1 1 16 16 THR CB C 16 68.382 68.382 68.877 -0.495 18912 2123 1 13 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.504 -0.022 18912 2124 1 13 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.878 -0.395 18912 2125 1 13 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.129 -1.125 18912 2126 1 13 . 1 1 18 18 ASN N N 18 114.925 114.925 116.858 -1.933 18912 2127 1 13 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.653 0.321 18912 2128 1 13 . 1 1 18 18 ASN H H 18 7.606 7.606 8.966 -1.360 18912 2129 1 13 . 1 1 19 19 SER N N 19 115.866 115.866 116.965 -1.099 18912 2130 1 13 . 1 1 19 19 SER HA H 19 4.209 4.209 4.522 -0.313 18912 2131 1 13 . 1 1 19 19 SER H H 19 7.702 7.702 7.888 -0.186 18912 2132 1 13 . 1 1 20 20 CYS N N 20 118.266 118.266 120.699 -2.433 18912 2133 1 13 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.631 0.347 18912 2134 1 13 . 1 1 20 20 CYS H H 20 8.811 8.811 7.625 1.186 18912 2135 1 13 . 1 1 21 21 LYS N N 21 120.561 120.561 119.990 0.571 18912 2136 1 13 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.908 0.204 18912 2137 1 13 . 1 1 21 21 LYS H H 21 7.715 7.715 7.369 0.346 18912 2138 1 13 . 1 1 22 22 VAL N N 22 119.640 119.640 124.443 -4.803 18912 2139 1 13 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.046 -0.291 18912 2140 1 13 . 1 1 22 22 VAL H H 22 8.422 8.422 8.172 0.250 18912 2141 1 13 . 1 1 23 23 CYS N N 23 129.569 129.569 125.811 3.758 18912 2142 1 13 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.048 0.353 18912 2143 1 13 . 1 1 23 23 CYS H H 23 9.030 9.030 8.416 0.614 18912 2144 1 13 . 1 1 24 24 CYS N N 24 116.307 116.307 119.731 -3.424 18912 2145 1 13 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.402 -0.012 18912 2146 1 13 . 1 1 24 24 CYS H H 24 8.746 8.746 9.284 -0.538 18912 2147 1 13 . 1 1 25 25 ARG N N 25 125.239 125.239 122.239 3.000 18912 2148 1 13 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.489 -0.556 18912 2149 1 13 . 1 1 25 25 ARG H H 25 9.219 9.219 8.932 0.287 18912 2150 1 13 . 1 1 26 26 ASP N N 26 125.707 125.707 125.447 0.260 18912 2151 1 13 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.862 -0.171 18912 2152 1 13 . 1 1 26 26 ASP H H 26 8.825 8.825 8.363 0.462 18912 2153 1 13 . 1 1 27 27 LEU N N 27 117.682 117.682 113.966 3.716 18912 2154 1 13 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.242 -0.079 18912 2155 1 13 . 1 1 27 27 LEU H H 27 8.238 8.238 8.340 -0.102 18912 2156 1 13 . 1 1 28 28 SER N N 28 115.328 115.328 113.836 1.492 18912 2157 1 13 . 1 1 28 28 SER HA H 28 4.550 4.550 4.481 0.069 18912 2158 1 13 . 1 1 28 28 SER H H 28 8.413 8.413 8.655 -0.242 18912 2159 1 13 . 1 1 29 29 GLY N N 29 110.481 110.481 108.905 1.576 18912 2160 1 13 . 1 1 29 29 GLY H H 29 8.296 8.296 7.608 0.688 18912 2161 1 13 . 1 1 30 30 ARG N N 30 123.895 123.895 118.513 5.382 18912 2162 1 13 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.590 -0.322 18912 2163 1 13 . 1 1 30 30 ARG H H 30 8.180 8.180 8.917 -0.737 18912 2164 1 13 . 1 1 31 31 CYS N N 31 124.749 124.749 120.827 3.922 18912 2165 1 13 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.294 -0.456 18912 2166 1 13 . 1 1 31 31 CYS H H 31 9.030 9.030 8.639 0.391 18912 2167 1 13 . 1 1 32 32 VAL N N 32 125.179 125.179 127.569 -2.390 18912 2168 1 13 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.715 0.341 18912 2169 1 13 . 1 1 32 32 VAL H H 32 8.634 8.634 9.202 -0.568 18912 2170 1 13 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.516 0.589 18912 2171 1 13 . 1 1 34 34 TYR N N 34 125.935 125.935 127.904 -1.969 18912 2172 1 13 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.325 0.094 18912 2173 1 13 . 1 1 34 34 TYR H H 34 8.900 8.900 9.226 -0.326 18912 2174 1 13 . 1 1 35 35 VAL N N 35 128.155 128.155 126.004 2.151 18912 2175 1 13 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.781 -0.602 18912 2176 1 13 . 1 1 35 35 VAL H H 35 7.347 7.347 8.034 -0.687 18912 2177 1 13 . 1 1 36 36 ASP N N 36 125.146 125.146 123.844 1.302 18912 2178 1 13 . 1 1 36 36 ASP HA H 36 4.355 4.355 5.062 -0.707 18912 2179 1 13 . 1 1 36 36 ASP H H 36 8.367 8.367 8.001 0.366 18912 2180 1 13 . 1 1 37 37 ALA N N 37 119.166 119.166 121.303 -2.137 18912 2181 1 13 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.181 -0.054 18912 2182 1 13 . 1 1 37 37 ALA H H 37 8.215 8.215 8.726 -0.511 18912 2183 1 13 . 1 1 38 38 GLU N N 38 117.714 117.714 116.022 1.692 18912 2184 1 13 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.261 0.116 18912 2185 1 13 . 1 1 38 38 GLU H H 38 8.253 8.253 8.150 0.103 18912 2186 1 13 . 1 1 39 39 GLN N N 39 112.433 112.433 115.263 -2.830 18912 2187 1 13 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.970 -0.396 18912 2188 1 13 . 1 1 39 39 GLN H H 39 8.145 8.145 8.100 0.045 18912 2189 1 13 . 1 1 40 40 LYS N N 40 120.092 120.092 118.531 1.561 18912 2190 1 13 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.451 0.051 18912 2191 1 13 . 1 1 40 40 LYS H H 40 8.436 8.436 8.456 -0.020 18912 2192 1 13 . 1 1 41 41 ASN N N 41 115.767 115.767 119.561 -3.794 18912 2193 1 13 . 1 1 41 41 ASN HA H 41 4.925 4.925 4.546 0.379 18912 2194 1 13 . 1 1 41 41 ASN H H 41 8.151 8.151 8.397 -0.246 18912 2195 1 13 . 1 1 42 42 LEU N N 42 121.155 121.155 115.062 6.093 18912 2196 1 13 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.787 -0.467 18912 2197 1 13 . 1 1 42 42 LEU H H 42 9.130 9.130 8.285 0.845 18912 2198 1 13 . 1 1 43 43 PHE N N 43 120.509 120.509 119.740 0.769 18912 2199 1 13 . 1 1 43 43 PHE HA H 43 5.465 5.465 5.218 0.247 18912 2200 1 13 . 1 1 43 43 PHE H H 43 8.406 8.406 8.209 0.197 18912 2201 1 13 . 1 1 44 44 LEU N N 44 120.978 120.978 126.786 -5.808 18912 2202 1 13 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.276 0.002 18912 2203 1 13 . 1 1 44 44 LEU H H 44 8.427 8.427 8.909 -0.482 18912 2204 1 13 . 1 1 45 45 ARG N N 45 120.074 120.074 119.324 0.750 18912 2205 1 13 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.047 -0.003 18912 2206 1 13 . 1 1 45 45 ARG H H 45 8.291 8.291 8.161 0.130 18912 2207 1 13 . 1 1 46 46 LYS N N 46 121.707 121.707 118.859 2.848 18912 2208 1 13 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.550 -0.742 18912 2209 1 13 . 1 1 46 46 LYS H H 46 8.110 8.110 8.095 0.015 18912 2210 1 13 . 1 1 47 47 GLY N N 47 114.992 114.992 110.002 4.990 18912 2211 1 13 . 1 1 47 47 GLY H H 47 9.514 9.514 9.338 0.176 18912 2212 1 13 . 1 1 48 48 LYS N N 48 122.565 122.565 121.024 1.541 18912 2213 1 13 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.900 -0.316 18912 2214 1 13 . 1 1 48 48 LYS H H 48 7.855 7.855 7.424 0.431 18912 2215 1 13 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.481 0.028 18912 2216 1 13 . 1 1 50 50 CYS N N 50 118.602 118.602 124.600 -5.998 18912 2217 1 13 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.695 0.244 18912 2218 1 13 . 1 1 50 50 CYS H H 50 8.274 8.274 8.845 -0.571 18912 2219 1 13 . 1 1 51 51 THR N N 51 112.483 112.483 116.193 -3.710 18912 2220 1 13 . 1 1 51 51 THR HA H 51 3.798 3.798 4.065 -0.267 18912 2221 1 13 . 1 1 51 51 THR H H 51 7.498 7.498 8.604 -1.106 18912 2222 1 13 . 1 1 52 52 VAL N N 52 108.404 108.404 115.531 -7.127 18912 2223 1 13 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.346 0.257 18912 2224 1 13 . 1 1 52 52 VAL H H 52 6.672 6.672 7.806 -1.134 18912 2225 1 13 . 1 1 53 53 GLY N N 53 109.222 109.222 108.025 1.197 18912 2226 1 13 . 1 1 53 53 GLY H H 53 6.481 6.481 7.310 -0.829 18912 2227 1 13 . 1 1 54 54 PHE N N 54 127.065 127.065 119.044 8.021 18912 2228 1 13 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.695 -0.567 18912 2229 1 13 . 1 1 54 54 PHE H H 54 9.314 9.314 9.451 -0.137 18912 2230 1 13 . 1 1 55 55 CYS N N 55 121.901 121.901 120.112 1.789 18912 2231 1 13 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.372 -0.251 18912 2232 1 13 . 1 1 55 55 CYS H H 55 9.375 9.375 8.885 0.490 18912 2233 1 13 . 1 1 56 56 ASP N N 56 127.032 127.032 124.916 2.116 18912 2234 1 13 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.190 -0.405 18912 2235 1 13 . 1 1 56 56 ASP H H 56 9.135 9.135 8.982 0.153 18912 2236 1 13 . 1 1 57 57 MET N N 57 113.781 113.781 118.809 -5.028 18912 2237 1 13 . 1 1 57 57 MET HA H 57 4.405 4.405 4.154 0.251 18912 2238 1 13 . 1 1 57 57 MET H H 57 8.246 8.246 8.569 -0.323 18912 2239 1 13 . 1 1 58 58 ASN N N 58 118.453 118.453 116.413 2.040 18912 2240 1 13 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.481 0.170 18912 2241 1 13 . 1 1 58 58 ASN H H 58 8.678 8.678 7.928 0.750 18912 2242 1 13 . 1 1 59 59 GLY N N 59 107.488 107.488 106.597 0.891 18912 2243 1 13 . 1 1 59 59 GLY H H 59 7.820 7.820 8.045 -0.225 18912 2244 1 13 . 1 1 60 60 LYS N N 60 123.743 123.743 117.458 6.285 18912 2245 1 13 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.797 -0.383 18912 2246 1 13 . 1 1 60 60 LYS H H 60 8.471 8.471 7.426 1.045 18912 2247 1 13 . 1 1 61 61 CYS N N 61 124.711 124.711 120.634 4.077 18912 2248 1 13 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.663 -1.064 18912 2249 1 13 . 1 1 61 61 CYS H H 61 8.613 8.613 8.817 -0.204 18912 2250 1 14 . 1 1 2 2 CYS N N 2 116.766 116.766 121.202 -4.436 18912 2251 1 14 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.097 -0.526 18912 2252 1 14 . 1 1 2 2 CYS H H 2 8.485 8.485 9.153 -0.668 18912 2253 1 14 . 1 1 3 3 GLU N N 3 124.348 124.348 120.816 3.532 18912 2254 1 14 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.122 -0.160 18912 2255 1 14 . 1 1 3 3 GLU H H 3 9.345 9.345 8.581 0.764 18912 2256 1 14 . 1 1 4 4 ARG N N 4 119.167 119.167 119.588 -0.421 18912 2257 1 14 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.192 -0.233 18912 2258 1 14 . 1 1 4 4 ARG H H 4 8.390 8.390 8.093 0.297 18912 2259 1 14 . 1 1 5 5 GLU N N 5 114.022 114.022 118.369 -4.347 18912 2260 1 14 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.297 -0.066 18912 2261 1 14 . 1 1 5 5 GLU H H 5 8.309 8.309 8.139 0.170 18912 2262 1 14 . 1 1 6 6 GLN N N 6 113.489 113.489 115.759 -2.270 18912 2263 1 14 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.591 -0.046 18912 2264 1 14 . 1 1 6 6 GLN H H 6 7.210 7.210 7.956 -0.746 18912 2265 1 14 . 1 1 7 7 GLN N N 7 114.953 114.953 114.848 0.105 18912 2266 1 14 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.213 -0.123 18912 2267 1 14 . 1 1 7 7 GLN H H 7 7.454 7.454 8.060 -0.606 18912 2268 1 14 . 1 1 8 8 LEU N N 8 118.695 118.695 119.582 -0.887 18912 2269 1 14 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.452 0.261 18912 2270 1 14 . 1 1 8 8 LEU H H 8 7.414 7.414 7.940 -0.526 18912 2271 1 14 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.296 0.012 18912 2272 1 14 . 1 1 9 9 GLU CA C 9 55.627 55.627 56.009 -0.382 18912 2273 1 14 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.462 0.316 18912 2274 1 14 . 1 1 9 9 GLU H H 9 8.250 8.250 8.667 -0.417 18912 2275 1 14 . 1 1 10 10 SER N N 10 120.943 120.943 118.962 1.981 18912 2276 1 14 . 1 1 10 10 SER HA H 10 5.063 5.063 4.880 0.183 18912 2277 1 14 . 1 1 10 10 SER H H 10 8.886 8.886 8.380 0.506 18912 2278 1 14 . 1 1 11 11 CYS N N 11 118.295 118.295 117.571 0.724 18912 2279 1 14 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.986 -0.143 18912 2280 1 14 . 1 1 11 11 CYS H H 11 8.094 8.094 8.521 -0.427 18912 2281 1 14 . 1 1 12 12 ALA N N 12 123.087 123.087 121.149 1.938 18912 2282 1 14 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.550 0.244 18912 2283 1 14 . 1 1 12 12 ALA H H 12 8.419 8.419 8.176 0.243 18912 2284 1 14 . 1 1 13 13 CYS N N 13 123.511 123.511 123.889 -0.378 18912 2285 1 14 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.342 -0.139 18912 2286 1 14 . 1 1 13 13 CYS H H 13 9.174 9.174 8.251 0.923 18912 2287 1 14 . 1 1 14 14 ASN N N 14 118.292 118.292 121.611 -3.319 18912 2288 1 14 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.362 0.151 18912 2289 1 14 . 1 1 14 14 ASN H H 14 8.290 8.290 8.514 -0.224 18912 2290 1 14 . 1 1 15 15 GLU N N 15 119.065 119.065 117.605 1.460 18912 2291 1 14 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.292 0.180 18912 2292 1 14 . 1 1 15 15 GLU H H 15 8.197 8.197 8.158 0.039 18912 2293 1 14 . 1 1 16 16 THR HA H 16 3.823 3.823 3.973 -0.150 18912 2294 1 14 . 1 1 16 16 THR CA C 16 67.200 67.200 66.793 0.407 18912 2295 1 14 . 1 1 16 16 THR CB C 16 68.382 68.382 68.835 -0.453 18912 2296 1 14 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.834 -0.352 18912 2297 1 14 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.953 -0.470 18912 2298 1 14 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.802 -0.798 18912 2299 1 14 . 1 1 18 18 ASN N N 18 114.925 114.925 117.819 -2.894 18912 2300 1 14 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.595 0.379 18912 2301 1 14 . 1 1 18 18 ASN H H 18 7.606 7.606 8.760 -1.154 18912 2302 1 14 . 1 1 19 19 SER N N 19 115.866 115.866 115.099 0.767 18912 2303 1 14 . 1 1 19 19 SER HA H 19 4.209 4.209 4.403 -0.194 18912 2304 1 14 . 1 1 19 19 SER H H 19 7.702 7.702 7.709 -0.007 18912 2305 1 14 . 1 1 20 20 CYS N N 20 118.266 118.266 120.569 -2.303 18912 2306 1 14 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.658 0.320 18912 2307 1 14 . 1 1 20 20 CYS H H 20 8.811 8.811 7.287 1.524 18912 2308 1 14 . 1 1 21 21 LYS N N 21 120.561 120.561 119.153 1.408 18912 2309 1 14 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.740 0.372 18912 2310 1 14 . 1 1 21 21 LYS H H 21 7.715 7.715 7.556 0.159 18912 2311 1 14 . 1 1 22 22 VAL N N 22 119.640 119.640 123.091 -3.451 18912 2312 1 14 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.102 -0.347 18912 2313 1 14 . 1 1 22 22 VAL H H 22 8.422 8.422 8.337 0.085 18912 2314 1 14 . 1 1 23 23 CYS N N 23 129.569 129.569 126.015 3.554 18912 2315 1 14 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.245 0.156 18912 2316 1 14 . 1 1 23 23 CYS H H 23 9.030 9.030 8.239 0.791 18912 2317 1 14 . 1 1 24 24 CYS N N 24 116.307 116.307 118.877 -2.570 18912 2318 1 14 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.296 0.094 18912 2319 1 14 . 1 1 24 24 CYS H H 24 8.746 8.746 9.265 -0.519 18912 2320 1 14 . 1 1 25 25 ARG N N 25 125.239 125.239 122.390 2.849 18912 2321 1 14 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.609 -0.676 18912 2322 1 14 . 1 1 25 25 ARG H H 25 9.219 9.219 8.959 0.261 18912 2323 1 14 . 1 1 26 26 ASP N N 26 125.707 125.707 124.800 0.907 18912 2324 1 14 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.815 -0.124 18912 2325 1 14 . 1 1 26 26 ASP H H 26 8.825 8.825 8.232 0.593 18912 2326 1 14 . 1 1 27 27 LEU N N 27 117.682 117.682 117.846 -0.164 18912 2327 1 14 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.113 0.050 18912 2328 1 14 . 1 1 27 27 LEU H H 27 8.238 8.238 8.364 -0.126 18912 2329 1 14 . 1 1 28 28 SER N N 28 115.328 115.328 111.577 3.751 18912 2330 1 14 . 1 1 28 28 SER HA H 28 4.550 4.550 4.418 0.132 18912 2331 1 14 . 1 1 28 28 SER H H 28 8.413 8.413 8.302 0.111 18912 2332 1 14 . 1 1 29 29 GLY N N 29 110.481 110.481 110.628 -0.147 18912 2333 1 14 . 1 1 29 29 GLY H H 29 8.296 8.296 7.621 0.675 18912 2334 1 14 . 1 1 30 30 ARG N N 30 123.895 123.895 118.568 5.327 18912 2335 1 14 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.670 -0.402 18912 2336 1 14 . 1 1 30 30 ARG H H 30 8.180 8.180 9.052 -0.872 18912 2337 1 14 . 1 1 31 31 CYS N N 31 124.749 124.749 120.738 4.011 18912 2338 1 14 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.411 -0.573 18912 2339 1 14 . 1 1 31 31 CYS H H 31 9.030 9.030 8.498 0.532 18912 2340 1 14 . 1 1 32 32 VAL N N 32 125.179 125.179 123.193 1.986 18912 2341 1 14 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.761 0.295 18912 2342 1 14 . 1 1 32 32 VAL H H 32 8.634 8.634 9.307 -0.673 18912 2343 1 14 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.505 0.600 18912 2344 1 14 . 1 1 34 34 TYR N N 34 125.935 125.935 127.268 -1.333 18912 2345 1 14 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.298 0.120 18912 2346 1 14 . 1 1 34 34 TYR H H 34 8.900 8.900 9.207 -0.307 18912 2347 1 14 . 1 1 35 35 VAL N N 35 128.155 128.155 123.634 4.521 18912 2348 1 14 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.618 -0.439 18912 2349 1 14 . 1 1 35 35 VAL H H 35 7.347 7.347 7.674 -0.327 18912 2350 1 14 . 1 1 36 36 ASP N N 36 125.146 125.146 121.530 3.616 18912 2351 1 14 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.971 -0.616 18912 2352 1 14 . 1 1 36 36 ASP H H 36 8.367 8.367 7.588 0.779 18912 2353 1 14 . 1 1 37 37 ALA N N 37 119.166 119.166 121.608 -2.442 18912 2354 1 14 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.174 -0.047 18912 2355 1 14 . 1 1 37 37 ALA H H 37 8.215 8.215 8.542 -0.327 18912 2356 1 14 . 1 1 38 38 GLU N N 38 117.714 117.714 116.184 1.530 18912 2357 1 14 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.287 0.090 18912 2358 1 14 . 1 1 38 38 GLU H H 38 8.253 8.253 8.314 -0.061 18912 2359 1 14 . 1 1 39 39 GLN N N 39 112.433 112.433 115.087 -2.654 18912 2360 1 14 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.942 -0.368 18912 2361 1 14 . 1 1 39 39 GLN H H 39 8.145 8.145 7.996 0.149 18912 2362 1 14 . 1 1 40 40 LYS N N 40 120.092 120.092 118.764 1.328 18912 2363 1 14 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.349 0.153 18912 2364 1 14 . 1 1 40 40 LYS H H 40 8.436 8.436 7.832 0.604 18912 2365 1 14 . 1 1 41 41 ASN N N 41 115.767 115.767 119.370 -3.603 18912 2366 1 14 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.413 -0.488 18912 2367 1 14 . 1 1 41 41 ASN H H 41 8.151 8.151 8.485 -0.334 18912 2368 1 14 . 1 1 42 42 LEU N N 42 121.155 121.155 120.707 0.448 18912 2369 1 14 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.653 -0.333 18912 2370 1 14 . 1 1 42 42 LEU H H 42 9.130 9.130 8.825 0.305 18912 2371 1 14 . 1 1 43 43 PHE N N 43 120.509 120.509 124.172 -3.663 18912 2372 1 14 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.737 0.728 18912 2373 1 14 . 1 1 43 43 PHE H H 43 8.406 8.406 8.676 -0.270 18912 2374 1 14 . 1 1 44 44 LEU N N 44 120.978 120.978 127.725 -6.747 18912 2375 1 14 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.275 0.003 18912 2376 1 14 . 1 1 44 44 LEU H H 44 8.427 8.427 8.445 -0.018 18912 2377 1 14 . 1 1 45 45 ARG N N 45 120.074 120.074 120.847 -0.773 18912 2378 1 14 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.504 -0.460 18912 2379 1 14 . 1 1 45 45 ARG H H 45 8.291 8.291 8.508 -0.217 18912 2380 1 14 . 1 1 46 46 LYS N N 46 121.707 121.707 119.264 2.443 18912 2381 1 14 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.450 -0.642 18912 2382 1 14 . 1 1 46 46 LYS H H 46 8.110 8.110 8.386 -0.276 18912 2383 1 14 . 1 1 47 47 GLY N N 47 114.992 114.992 110.315 4.677 18912 2384 1 14 . 1 1 47 47 GLY H H 47 9.514 9.514 9.107 0.407 18912 2385 1 14 . 1 1 48 48 LYS N N 48 122.565 122.565 119.059 3.506 18912 2386 1 14 . 1 1 48 48 LYS HA H 48 4.584 4.584 5.009 -0.425 18912 2387 1 14 . 1 1 48 48 LYS H H 48 7.855 7.855 7.633 0.222 18912 2388 1 14 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.587 -0.078 18912 2389 1 14 . 1 1 50 50 CYS N N 50 118.602 118.602 122.667 -4.065 18912 2390 1 14 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.754 0.185 18912 2391 1 14 . 1 1 50 50 CYS H H 50 8.274 8.274 8.659 -0.385 18912 2392 1 14 . 1 1 51 51 THR N N 51 112.483 112.483 115.302 -2.819 18912 2393 1 14 . 1 1 51 51 THR HA H 51 3.798 3.798 4.043 -0.245 18912 2394 1 14 . 1 1 51 51 THR H H 51 7.498 7.498 8.416 -0.918 18912 2395 1 14 . 1 1 52 52 VAL N N 52 108.404 108.404 116.336 -7.932 18912 2396 1 14 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.129 0.474 18912 2397 1 14 . 1 1 52 52 VAL H H 52 6.672 6.672 8.000 -1.328 18912 2398 1 14 . 1 1 53 53 GLY N N 53 109.222 109.222 108.003 1.219 18912 2399 1 14 . 1 1 53 53 GLY H H 53 6.481 6.481 7.249 -0.768 18912 2400 1 14 . 1 1 54 54 PHE N N 54 127.065 127.065 119.989 7.076 18912 2401 1 14 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.550 -0.422 18912 2402 1 14 . 1 1 54 54 PHE H H 54 9.314 9.314 8.811 0.503 18912 2403 1 14 . 1 1 55 55 CYS N N 55 121.901 121.901 122.202 -0.301 18912 2404 1 14 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.055 0.066 18912 2405 1 14 . 1 1 55 55 CYS H H 55 9.375 9.375 9.405 -0.030 18912 2406 1 14 . 1 1 56 56 ASP N N 56 127.032 127.032 126.007 1.025 18912 2407 1 14 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.188 -0.403 18912 2408 1 14 . 1 1 56 56 ASP H H 56 9.135 9.135 9.168 -0.033 18912 2409 1 14 . 1 1 57 57 MET N N 57 113.781 113.781 120.746 -6.965 18912 2410 1 14 . 1 1 57 57 MET HA H 57 4.405 4.405 4.615 -0.210 18912 2411 1 14 . 1 1 57 57 MET H H 57 8.246 8.246 8.525 -0.279 18912 2412 1 14 . 1 1 58 58 ASN N N 58 118.453 118.453 117.363 1.090 18912 2413 1 14 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.536 0.115 18912 2414 1 14 . 1 1 58 58 ASN H H 58 8.678 8.678 8.965 -0.287 18912 2415 1 14 . 1 1 59 59 GLY N N 59 107.488 107.488 107.629 -0.141 18912 2416 1 14 . 1 1 59 59 GLY H H 59 7.820 7.820 8.691 -0.871 18912 2417 1 14 . 1 1 60 60 LYS N N 60 123.743 123.743 120.116 3.627 18912 2418 1 14 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.596 -0.182 18912 2419 1 14 . 1 1 60 60 LYS H H 60 8.471 8.471 7.868 0.603 18912 2420 1 14 . 1 1 61 61 CYS N N 61 124.711 124.711 118.340 6.371 18912 2421 1 14 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.523 -0.924 18912 2422 1 14 . 1 1 61 61 CYS H H 61 8.613 8.613 8.542 0.071 18912 2423 1 15 . 1 1 2 2 CYS N N 2 116.766 116.766 120.331 -3.565 18912 2424 1 15 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.405 -0.834 18912 2425 1 15 . 1 1 2 2 CYS H H 2 8.485 8.485 7.547 0.938 18912 2426 1 15 . 1 1 3 3 GLU N N 3 124.348 124.348 122.200 2.148 18912 2427 1 15 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.313 -0.350 18912 2428 1 15 . 1 1 3 3 GLU H H 3 9.345 9.345 8.567 0.778 18912 2429 1 15 . 1 1 4 4 ARG N N 4 119.167 119.167 118.853 0.314 18912 2430 1 15 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.266 -0.307 18912 2431 1 15 . 1 1 4 4 ARG H H 4 8.390 8.390 8.268 0.122 18912 2432 1 15 . 1 1 5 5 GLU N N 5 114.022 114.022 119.245 -5.223 18912 2433 1 15 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.124 0.107 18912 2434 1 15 . 1 1 5 5 GLU H H 5 8.309 8.309 8.355 -0.046 18912 2435 1 15 . 1 1 6 6 GLN N N 6 113.489 113.489 117.211 -3.722 18912 2436 1 15 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.454 0.091 18912 2437 1 15 . 1 1 6 6 GLN H H 6 7.210 7.210 7.805 -0.595 18912 2438 1 15 . 1 1 7 7 GLN N N 7 114.953 114.953 113.075 1.878 18912 2439 1 15 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.081 0.009 18912 2440 1 15 . 1 1 7 7 GLN H H 7 7.454 7.454 7.905 -0.451 18912 2441 1 15 . 1 1 8 8 LEU N N 8 118.695 118.695 119.176 -0.481 18912 2442 1 15 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.479 0.234 18912 2443 1 15 . 1 1 8 8 LEU H H 8 7.414 7.414 7.307 0.107 18912 2444 1 15 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.222 0.086 18912 2445 1 15 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.919 -0.292 18912 2446 1 15 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.547 0.231 18912 2447 1 15 . 1 1 9 9 GLU H H 9 8.250 8.250 8.735 -0.485 18912 2448 1 15 . 1 1 10 10 SER N N 10 120.943 120.943 117.705 3.238 18912 2449 1 15 . 1 1 10 10 SER HA H 10 5.063 5.063 4.715 0.348 18912 2450 1 15 . 1 1 10 10 SER H H 10 8.886 8.886 8.267 0.619 18912 2451 1 15 . 1 1 11 11 CYS N N 11 118.295 118.295 120.805 -2.510 18912 2452 1 15 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.764 0.079 18912 2453 1 15 . 1 1 11 11 CYS H H 11 8.094 8.094 8.362 -0.268 18912 2454 1 15 . 1 1 12 12 ALA N N 12 123.087 123.087 122.501 0.586 18912 2455 1 15 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.721 0.073 18912 2456 1 15 . 1 1 12 12 ALA H H 12 8.419 8.419 8.326 0.093 18912 2457 1 15 . 1 1 13 13 CYS N N 13 123.511 123.511 123.150 0.361 18912 2458 1 15 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.377 -0.174 18912 2459 1 15 . 1 1 13 13 CYS H H 13 9.174 9.174 8.311 0.863 18912 2460 1 15 . 1 1 14 14 ASN N N 14 118.292 118.292 121.586 -3.294 18912 2461 1 15 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.470 0.043 18912 2462 1 15 . 1 1 14 14 ASN H H 14 8.290 8.290 8.916 -0.626 18912 2463 1 15 . 1 1 15 15 GLU N N 15 119.065 119.065 118.897 0.168 18912 2464 1 15 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.306 0.166 18912 2465 1 15 . 1 1 15 15 GLU H H 15 8.197 8.197 7.869 0.328 18912 2466 1 15 . 1 1 16 16 THR HA H 16 3.823 3.823 3.915 -0.092 18912 2467 1 15 . 1 1 16 16 THR CA C 16 67.200 67.200 66.583 0.617 18912 2468 1 15 . 1 1 16 16 THR CB C 16 68.382 68.382 68.806 -0.424 18912 2469 1 15 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.526 -0.044 18912 2470 1 15 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.813 -0.330 18912 2471 1 15 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.811 -0.807 18912 2472 1 15 . 1 1 18 18 ASN N N 18 114.925 114.925 117.822 -2.897 18912 2473 1 15 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.727 0.247 18912 2474 1 15 . 1 1 18 18 ASN H H 18 7.606 7.606 8.007 -0.401 18912 2475 1 15 . 1 1 19 19 SER N N 19 115.866 115.866 116.581 -0.715 18912 2476 1 15 . 1 1 19 19 SER HA H 19 4.209 4.209 4.420 -0.211 18912 2477 1 15 . 1 1 19 19 SER H H 19 7.702 7.702 7.998 -0.296 18912 2478 1 15 . 1 1 20 20 CYS N N 20 118.266 118.266 119.844 -1.578 18912 2479 1 15 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.574 0.404 18912 2480 1 15 . 1 1 20 20 CYS H H 20 8.811 8.811 7.509 1.302 18912 2481 1 15 . 1 1 21 21 LYS N N 21 120.561 120.561 120.077 0.484 18912 2482 1 15 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.857 0.255 18912 2483 1 15 . 1 1 21 21 LYS H H 21 7.715 7.715 7.801 -0.086 18912 2484 1 15 . 1 1 22 22 VAL N N 22 119.640 119.640 123.033 -3.393 18912 2485 1 15 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.959 -0.204 18912 2486 1 15 . 1 1 22 22 VAL H H 22 8.422 8.422 8.146 0.276 18912 2487 1 15 . 1 1 23 23 CYS N N 23 129.569 129.569 125.638 3.931 18912 2488 1 15 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.278 0.123 18912 2489 1 15 . 1 1 23 23 CYS H H 23 9.030 9.030 8.285 0.745 18912 2490 1 15 . 1 1 24 24 CYS N N 24 116.307 116.307 120.255 -3.948 18912 2491 1 15 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.420 -0.030 18912 2492 1 15 . 1 1 24 24 CYS H H 24 8.746 8.746 9.462 -0.716 18912 2493 1 15 . 1 1 25 25 ARG N N 25 125.239 125.239 121.327 3.912 18912 2494 1 15 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.444 -0.511 18912 2495 1 15 . 1 1 25 25 ARG H H 25 9.219 9.219 8.814 0.405 18912 2496 1 15 . 1 1 26 26 ASP N N 26 125.707 125.707 125.641 0.066 18912 2497 1 15 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.765 -0.074 18912 2498 1 15 . 1 1 26 26 ASP H H 26 8.825 8.825 8.507 0.318 18912 2499 1 15 . 1 1 27 27 LEU N N 27 117.682 117.682 117.865 -0.183 18912 2500 1 15 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.326 -0.163 18912 2501 1 15 . 1 1 27 27 LEU H H 27 8.238 8.238 8.341 -0.103 18912 2502 1 15 . 1 1 28 28 SER N N 28 115.328 115.328 115.285 0.043 18912 2503 1 15 . 1 1 28 28 SER HA H 28 4.550 4.550 4.462 0.088 18912 2504 1 15 . 1 1 28 28 SER H H 28 8.413 8.413 9.044 -0.631 18912 2505 1 15 . 1 1 29 29 GLY N N 29 110.481 110.481 108.599 1.882 18912 2506 1 15 . 1 1 29 29 GLY H H 29 8.296 8.296 7.350 0.946 18912 2507 1 15 . 1 1 30 30 ARG N N 30 123.895 123.895 118.752 5.143 18912 2508 1 15 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.746 -0.478 18912 2509 1 15 . 1 1 30 30 ARG H H 30 8.180 8.180 9.055 -0.875 18912 2510 1 15 . 1 1 31 31 CYS N N 31 124.749 124.749 119.738 5.011 18912 2511 1 15 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.525 -0.687 18912 2512 1 15 . 1 1 31 31 CYS H H 31 9.030 9.030 8.720 0.310 18912 2513 1 15 . 1 1 32 32 VAL N N 32 125.179 125.179 121.642 3.537 18912 2514 1 15 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.735 0.321 18912 2515 1 15 . 1 1 32 32 VAL H H 32 8.634 8.634 9.079 -0.445 18912 2516 1 15 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.532 0.573 18912 2517 1 15 . 1 1 34 34 TYR N N 34 125.935 125.935 126.752 -0.817 18912 2518 1 15 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.359 0.060 18912 2519 1 15 . 1 1 34 34 TYR H H 34 8.900 8.900 9.272 -0.372 18912 2520 1 15 . 1 1 35 35 VAL N N 35 128.155 128.155 123.523 4.632 18912 2521 1 15 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.541 -0.362 18912 2522 1 15 . 1 1 35 35 VAL H H 35 7.347 7.347 7.726 -0.379 18912 2523 1 15 . 1 1 36 36 ASP N N 36 125.146 125.146 123.167 1.979 18912 2524 1 15 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.683 -0.328 18912 2525 1 15 . 1 1 36 36 ASP H H 36 8.367 8.367 7.666 0.701 18912 2526 1 15 . 1 1 37 37 ALA N N 37 119.166 119.166 121.430 -2.264 18912 2527 1 15 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.162 -0.035 18912 2528 1 15 . 1 1 37 37 ALA H H 37 8.215 8.215 8.636 -0.421 18912 2529 1 15 . 1 1 38 38 GLU N N 38 117.714 117.714 116.498 1.216 18912 2530 1 15 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.299 0.078 18912 2531 1 15 . 1 1 38 38 GLU H H 38 8.253 8.253 8.270 -0.017 18912 2532 1 15 . 1 1 39 39 GLN N N 39 112.433 112.433 114.376 -1.943 18912 2533 1 15 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.927 -0.353 18912 2534 1 15 . 1 1 39 39 GLN H H 39 8.145 8.145 8.098 0.047 18912 2535 1 15 . 1 1 40 40 LYS N N 40 120.092 120.092 119.033 1.059 18912 2536 1 15 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.330 0.172 18912 2537 1 15 . 1 1 40 40 LYS H H 40 8.436 8.436 7.523 0.913 18912 2538 1 15 . 1 1 41 41 ASN N N 41 115.767 115.767 120.754 -4.987 18912 2539 1 15 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.492 -0.567 18912 2540 1 15 . 1 1 41 41 ASN H H 41 8.151 8.151 8.454 -0.303 18912 2541 1 15 . 1 1 42 42 LEU N N 42 121.155 121.155 118.993 2.162 18912 2542 1 15 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.528 -0.208 18912 2543 1 15 . 1 1 42 42 LEU H H 42 9.130 9.130 8.456 0.674 18912 2544 1 15 . 1 1 43 43 PHE N N 43 120.509 120.509 119.904 0.605 18912 2545 1 15 . 1 1 43 43 PHE HA H 43 5.465 5.465 5.115 0.350 18912 2546 1 15 . 1 1 43 43 PHE H H 43 8.406 8.406 8.415 -0.009 18912 2547 1 15 . 1 1 44 44 LEU N N 44 120.978 120.978 123.027 -2.049 18912 2548 1 15 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.366 -0.088 18912 2549 1 15 . 1 1 44 44 LEU H H 44 8.427 8.427 8.810 -0.383 18912 2550 1 15 . 1 1 45 45 ARG N N 45 120.074 120.074 120.647 -0.573 18912 2551 1 15 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.351 -0.307 18912 2552 1 15 . 1 1 45 45 ARG H H 45 8.291 8.291 8.384 -0.093 18912 2553 1 15 . 1 1 46 46 LYS N N 46 121.707 121.707 119.279 2.428 18912 2554 1 15 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.292 -0.484 18912 2555 1 15 . 1 1 46 46 LYS H H 46 8.110 8.110 8.338 -0.228 18912 2556 1 15 . 1 1 47 47 GLY N N 47 114.992 114.992 114.829 0.163 18912 2557 1 15 . 1 1 47 47 GLY H H 47 9.514 9.514 9.074 0.440 18912 2558 1 15 . 1 1 48 48 LYS N N 48 122.565 122.565 120.551 2.014 18912 2559 1 15 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.884 -0.300 18912 2560 1 15 . 1 1 48 48 LYS H H 48 7.855 7.855 7.656 0.199 18912 2561 1 15 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.557 -0.048 18912 2562 1 15 . 1 1 50 50 CYS N N 50 118.602 118.602 124.026 -5.424 18912 2563 1 15 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.825 0.114 18912 2564 1 15 . 1 1 50 50 CYS H H 50 8.274 8.274 8.533 -0.259 18912 2565 1 15 . 1 1 51 51 THR N N 51 112.483 112.483 115.992 -3.509 18912 2566 1 15 . 1 1 51 51 THR HA H 51 3.798 3.798 4.056 -0.258 18912 2567 1 15 . 1 1 51 51 THR H H 51 7.498 7.498 8.325 -0.827 18912 2568 1 15 . 1 1 52 52 VAL N N 52 108.404 108.404 118.131 -9.727 18912 2569 1 15 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.024 0.579 18912 2570 1 15 . 1 1 52 52 VAL H H 52 6.672 6.672 7.615 -0.943 18912 2571 1 15 . 1 1 53 53 GLY N N 53 109.222 109.222 106.612 2.610 18912 2572 1 15 . 1 1 53 53 GLY H H 53 6.481 6.481 7.346 -0.865 18912 2573 1 15 . 1 1 54 54 PHE N N 54 127.065 127.065 119.585 7.480 18912 2574 1 15 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.316 -0.188 18912 2575 1 15 . 1 1 54 54 PHE H H 54 9.314 9.314 8.109 1.205 18912 2576 1 15 . 1 1 55 55 CYS N N 55 121.901 121.901 121.580 0.321 18912 2577 1 15 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.207 -0.086 18912 2578 1 15 . 1 1 55 55 CYS H H 55 9.375 9.375 9.076 0.299 18912 2579 1 15 . 1 1 56 56 ASP N N 56 127.032 127.032 126.547 0.485 18912 2580 1 15 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.031 -0.246 18912 2581 1 15 . 1 1 56 56 ASP H H 56 9.135 9.135 9.027 0.108 18912 2582 1 15 . 1 1 57 57 MET N N 57 113.781 113.781 119.246 -5.465 18912 2583 1 15 . 1 1 57 57 MET HA H 57 4.405 4.405 4.430 -0.025 18912 2584 1 15 . 1 1 57 57 MET H H 57 8.246 8.246 8.535 -0.289 18912 2585 1 15 . 1 1 58 58 ASN N N 58 118.453 118.453 114.032 4.421 18912 2586 1 15 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.412 0.239 18912 2587 1 15 . 1 1 58 58 ASN H H 58 8.678 8.678 8.208 0.470 18912 2588 1 15 . 1 1 59 59 GLY N N 59 107.488 107.488 107.475 0.013 18912 2589 1 15 . 1 1 59 59 GLY H H 59 7.820 7.820 8.015 -0.195 18912 2590 1 15 . 1 1 60 60 LYS N N 60 123.743 123.743 117.652 6.091 18912 2591 1 15 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.876 -0.462 18912 2592 1 15 . 1 1 60 60 LYS H H 60 8.471 8.471 7.391 1.080 18912 2593 1 15 . 1 1 61 61 CYS N N 61 124.711 124.711 122.313 2.398 18912 2594 1 15 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.608 -1.009 18912 2595 1 15 . 1 1 61 61 CYS H H 61 8.613 8.613 8.964 -0.351 18912 2596 1 16 . 1 1 2 2 CYS N N 2 116.766 116.766 119.875 -3.109 18912 2597 1 16 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.561 -0.990 18912 2598 1 16 . 1 1 2 2 CYS H H 2 8.485 8.485 7.608 0.877 18912 2599 1 16 . 1 1 3 3 GLU N N 3 124.348 124.348 122.440 1.908 18912 2600 1 16 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.079 -0.116 18912 2601 1 16 . 1 1 3 3 GLU H H 3 9.345 9.345 8.428 0.917 18912 2602 1 16 . 1 1 4 4 ARG N N 4 119.167 119.167 119.701 -0.534 18912 2603 1 16 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.241 -0.282 18912 2604 1 16 . 1 1 4 4 ARG H H 4 8.390 8.390 8.183 0.207 18912 2605 1 16 . 1 1 5 5 GLU N N 5 114.022 114.022 118.707 -4.685 18912 2606 1 16 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.076 0.155 18912 2607 1 16 . 1 1 5 5 GLU H H 5 8.309 8.309 8.321 -0.012 18912 2608 1 16 . 1 1 6 6 GLN N N 6 113.489 113.489 114.446 -0.957 18912 2609 1 16 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.421 0.124 18912 2610 1 16 . 1 1 6 6 GLN H H 6 7.210 7.210 7.846 -0.636 18912 2611 1 16 . 1 1 7 7 GLN N N 7 114.953 114.953 114.461 0.492 18912 2612 1 16 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.160 -0.070 18912 2613 1 16 . 1 1 7 7 GLN H H 7 7.454 7.454 7.844 -0.390 18912 2614 1 16 . 1 1 8 8 LEU N N 8 118.695 118.695 118.774 -0.079 18912 2615 1 16 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.414 0.299 18912 2616 1 16 . 1 1 8 8 LEU H H 8 7.414 7.414 7.636 -0.222 18912 2617 1 16 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.281 0.027 18912 2618 1 16 . 1 1 9 9 GLU CA C 9 55.627 55.627 54.867 0.760 18912 2619 1 16 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.973 -0.195 18912 2620 1 16 . 1 1 9 9 GLU H H 9 8.250 8.250 8.524 -0.274 18912 2621 1 16 . 1 1 10 10 SER N N 10 120.943 120.943 117.746 3.197 18912 2622 1 16 . 1 1 10 10 SER HA H 10 5.063 5.063 4.832 0.231 18912 2623 1 16 . 1 1 10 10 SER H H 10 8.886 8.886 8.343 0.543 18912 2624 1 16 . 1 1 11 11 CYS N N 11 118.295 118.295 115.917 2.378 18912 2625 1 16 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.838 0.005 18912 2626 1 16 . 1 1 11 11 CYS H H 11 8.094 8.094 8.150 -0.056 18912 2627 1 16 . 1 1 12 12 ALA N N 12 123.087 123.087 122.713 0.374 18912 2628 1 16 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.610 0.184 18912 2629 1 16 . 1 1 12 12 ALA H H 12 8.419 8.419 8.241 0.178 18912 2630 1 16 . 1 1 13 13 CYS N N 13 123.511 123.511 123.439 0.072 18912 2631 1 16 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.426 -0.223 18912 2632 1 16 . 1 1 13 13 CYS H H 13 9.174 9.174 8.511 0.663 18912 2633 1 16 . 1 1 14 14 ASN N N 14 118.292 118.292 120.701 -2.409 18912 2634 1 16 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.352 0.161 18912 2635 1 16 . 1 1 14 14 ASN H H 14 8.290 8.290 8.699 -0.409 18912 2636 1 16 . 1 1 15 15 GLU N N 15 119.065 119.065 118.146 0.919 18912 2637 1 16 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.346 0.126 18912 2638 1 16 . 1 1 15 15 GLU H H 15 8.197 8.197 7.941 0.256 18912 2639 1 16 . 1 1 16 16 THR HA H 16 3.823 3.823 4.024 -0.201 18912 2640 1 16 . 1 1 16 16 THR CA C 16 67.200 67.200 66.390 0.810 18912 2641 1 16 . 1 1 16 16 THR CB C 16 68.382 68.382 68.865 -0.483 18912 2642 1 16 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.590 -0.108 18912 2643 1 16 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.219 0.264 18912 2644 1 16 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.541 -0.537 18912 2645 1 16 . 1 1 18 18 ASN N N 18 114.925 114.925 119.230 -4.305 18912 2646 1 16 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.490 0.484 18912 2647 1 16 . 1 1 18 18 ASN H H 18 7.606 7.606 8.953 -1.347 18912 2648 1 16 . 1 1 19 19 SER N N 19 115.866 115.866 115.618 0.248 18912 2649 1 16 . 1 1 19 19 SER HA H 19 4.209 4.209 4.404 -0.195 18912 2650 1 16 . 1 1 19 19 SER H H 19 7.702 7.702 7.634 0.068 18912 2651 1 16 . 1 1 20 20 CYS N N 20 118.266 118.266 117.608 0.658 18912 2652 1 16 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.565 0.413 18912 2653 1 16 . 1 1 20 20 CYS H H 20 8.811 8.811 7.727 1.084 18912 2654 1 16 . 1 1 21 21 LYS N N 21 120.561 120.561 120.292 0.269 18912 2655 1 16 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.925 0.187 18912 2656 1 16 . 1 1 21 21 LYS H H 21 7.715 7.715 7.288 0.427 18912 2657 1 16 . 1 1 22 22 VAL N N 22 119.640 119.640 122.876 -3.236 18912 2658 1 16 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.788 -0.033 18912 2659 1 16 . 1 1 22 22 VAL H H 22 8.422 8.422 8.644 -0.222 18912 2660 1 16 . 1 1 23 23 CYS N N 23 129.569 129.569 125.773 3.796 18912 2661 1 16 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.188 0.213 18912 2662 1 16 . 1 1 23 23 CYS H H 23 9.030 9.030 8.946 0.084 18912 2663 1 16 . 1 1 24 24 CYS N N 24 116.307 116.307 120.983 -4.676 18912 2664 1 16 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.351 0.039 18912 2665 1 16 . 1 1 24 24 CYS H H 24 8.746 8.746 9.327 -0.581 18912 2666 1 16 . 1 1 25 25 ARG N N 25 125.239 125.239 122.317 2.922 18912 2667 1 16 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.267 -0.334 18912 2668 1 16 . 1 1 25 25 ARG H H 25 9.219 9.219 8.976 0.243 18912 2669 1 16 . 1 1 26 26 ASP N N 26 125.707 125.707 125.189 0.518 18912 2670 1 16 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.756 -0.065 18912 2671 1 16 . 1 1 26 26 ASP H H 26 8.825 8.825 8.762 0.063 18912 2672 1 16 . 1 1 27 27 LEU N N 27 117.682 117.682 119.809 -2.127 18912 2673 1 16 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.117 0.046 18912 2674 1 16 . 1 1 27 27 LEU H H 27 8.238 8.238 8.576 -0.338 18912 2675 1 16 . 1 1 28 28 SER N N 28 115.328 115.328 113.453 1.875 18912 2676 1 16 . 1 1 28 28 SER HA H 28 4.550 4.550 4.425 0.125 18912 2677 1 16 . 1 1 28 28 SER H H 28 8.413 8.413 8.498 -0.085 18912 2678 1 16 . 1 1 29 29 GLY N N 29 110.481 110.481 108.948 1.533 18912 2679 1 16 . 1 1 29 29 GLY H H 29 8.296 8.296 7.988 0.308 18912 2680 1 16 . 1 1 30 30 ARG N N 30 123.895 123.895 119.563 4.332 18912 2681 1 16 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.604 -0.336 18912 2682 1 16 . 1 1 30 30 ARG H H 30 8.180 8.180 8.763 -0.583 18912 2683 1 16 . 1 1 31 31 CYS N N 31 124.749 124.749 122.367 2.382 18912 2684 1 16 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.051 -0.213 18912 2685 1 16 . 1 1 31 31 CYS H H 31 9.030 9.030 8.565 0.465 18912 2686 1 16 . 1 1 32 32 VAL N N 32 125.179 125.179 123.718 1.461 18912 2687 1 16 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.926 0.130 18912 2688 1 16 . 1 1 32 32 VAL H H 32 8.634 8.634 9.332 -0.698 18912 2689 1 16 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.879 0.226 18912 2690 1 16 . 1 1 34 34 TYR N N 34 125.935 125.935 126.617 -0.682 18912 2691 1 16 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.536 -0.117 18912 2692 1 16 . 1 1 34 34 TYR H H 34 8.900 8.900 9.218 -0.318 18912 2693 1 16 . 1 1 35 35 VAL N N 35 128.155 128.155 127.337 0.818 18912 2694 1 16 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.922 -0.743 18912 2695 1 16 . 1 1 35 35 VAL H H 35 7.347 7.347 7.893 -0.546 18912 2696 1 16 . 1 1 36 36 ASP N N 36 125.146 125.146 125.489 -0.343 18912 2697 1 16 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.853 -0.497 18912 2698 1 16 . 1 1 36 36 ASP H H 36 8.367 8.367 7.988 0.379 18912 2699 1 16 . 1 1 37 37 ALA N N 37 119.166 119.166 120.722 -1.556 18912 2700 1 16 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.243 -0.116 18912 2701 1 16 . 1 1 37 37 ALA H H 37 8.215 8.215 8.588 -0.373 18912 2702 1 16 . 1 1 38 38 GLU N N 38 117.714 117.714 116.825 0.889 18912 2703 1 16 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.360 0.017 18912 2704 1 16 . 1 1 38 38 GLU H H 38 8.253 8.253 7.994 0.259 18912 2705 1 16 . 1 1 39 39 GLN N N 39 112.433 112.433 114.103 -1.670 18912 2706 1 16 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.930 -0.356 18912 2707 1 16 . 1 1 39 39 GLN H H 39 8.145 8.145 8.145 -0.000 18912 2708 1 16 . 1 1 40 40 LYS N N 40 120.092 120.092 119.243 0.849 18912 2709 1 16 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.194 0.308 18912 2710 1 16 . 1 1 40 40 LYS H H 40 8.436 8.436 8.077 0.359 18912 2711 1 16 . 1 1 41 41 ASN N N 41 115.767 115.767 119.374 -3.607 18912 2712 1 16 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.245 -0.320 18912 2713 1 16 . 1 1 41 41 ASN H H 41 8.151 8.151 8.367 -0.216 18912 2714 1 16 . 1 1 42 42 LEU N N 42 121.155 121.155 121.792 -0.637 18912 2715 1 16 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.824 -0.504 18912 2716 1 16 . 1 1 42 42 LEU H H 42 9.130 9.130 8.545 0.585 18912 2717 1 16 . 1 1 43 43 PHE N N 43 120.509 120.509 120.510 -0.001 18912 2718 1 16 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.771 0.694 18912 2719 1 16 . 1 1 43 43 PHE H H 43 8.406 8.406 8.556 -0.150 18912 2720 1 16 . 1 1 44 44 LEU N N 44 120.978 120.978 122.206 -1.228 18912 2721 1 16 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.038 0.240 18912 2722 1 16 . 1 1 44 44 LEU H H 44 8.427 8.427 8.942 -0.515 18912 2723 1 16 . 1 1 45 45 ARG N N 45 120.074 120.074 117.037 3.037 18912 2724 1 16 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.631 -0.587 18912 2725 1 16 . 1 1 45 45 ARG H H 45 8.291 8.291 8.155 0.136 18912 2726 1 16 . 1 1 46 46 LYS N N 46 121.707 121.707 118.225 3.482 18912 2727 1 16 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.748 -0.940 18912 2728 1 16 . 1 1 46 46 LYS H H 46 8.110 8.110 8.032 0.078 18912 2729 1 16 . 1 1 47 47 GLY N N 47 114.992 114.992 112.728 2.264 18912 2730 1 16 . 1 1 47 47 GLY H H 47 9.514 9.514 9.207 0.307 18912 2731 1 16 . 1 1 48 48 LYS N N 48 122.565 122.565 120.303 2.262 18912 2732 1 16 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.920 -0.336 18912 2733 1 16 . 1 1 48 48 LYS H H 48 7.855 7.855 7.614 0.241 18912 2734 1 16 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.139 0.370 18912 2735 1 16 . 1 1 50 50 CYS N N 50 118.602 118.602 124.097 -5.495 18912 2736 1 16 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.708 0.231 18912 2737 1 16 . 1 1 50 50 CYS H H 50 8.274 8.274 8.415 -0.141 18912 2738 1 16 . 1 1 51 51 THR N N 51 112.483 112.483 115.689 -3.206 18912 2739 1 16 . 1 1 51 51 THR HA H 51 3.798 3.798 4.031 -0.233 18912 2740 1 16 . 1 1 51 51 THR H H 51 7.498 7.498 8.538 -1.040 18912 2741 1 16 . 1 1 52 52 VAL N N 52 108.404 108.404 116.629 -8.225 18912 2742 1 16 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.305 0.298 18912 2743 1 16 . 1 1 52 52 VAL H H 52 6.672 6.672 7.900 -1.228 18912 2744 1 16 . 1 1 53 53 GLY N N 53 109.222 109.222 107.860 1.362 18912 2745 1 16 . 1 1 53 53 GLY H H 53 6.481 6.481 7.344 -0.863 18912 2746 1 16 . 1 1 54 54 PHE N N 54 127.065 127.065 118.905 8.160 18912 2747 1 16 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.492 -0.364 18912 2748 1 16 . 1 1 54 54 PHE H H 54 9.314 9.314 9.201 0.113 18912 2749 1 16 . 1 1 55 55 CYS N N 55 121.901 121.901 119.901 2.000 18912 2750 1 16 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.341 -0.220 18912 2751 1 16 . 1 1 55 55 CYS H H 55 9.375 9.375 9.009 0.366 18912 2752 1 16 . 1 1 56 56 ASP N N 56 127.032 127.032 123.931 3.101 18912 2753 1 16 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.019 -0.234 18912 2754 1 16 . 1 1 56 56 ASP H H 56 9.135 9.135 9.095 0.040 18912 2755 1 16 . 1 1 57 57 MET N N 57 113.781 113.781 118.878 -5.097 18912 2756 1 16 . 1 1 57 57 MET HA H 57 4.405 4.405 4.729 -0.324 18912 2757 1 16 . 1 1 57 57 MET H H 57 8.246 8.246 8.511 -0.265 18912 2758 1 16 . 1 1 58 58 ASN N N 58 118.453 118.453 117.260 1.193 18912 2759 1 16 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.564 0.087 18912 2760 1 16 . 1 1 58 58 ASN H H 58 8.678 8.678 7.664 1.014 18912 2761 1 16 . 1 1 59 59 GLY N N 59 107.488 107.488 107.560 -0.072 18912 2762 1 16 . 1 1 59 59 GLY H H 59 7.820 7.820 8.008 -0.188 18912 2763 1 16 . 1 1 60 60 LYS N N 60 123.743 123.743 118.159 5.584 18912 2764 1 16 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.881 -0.467 18912 2765 1 16 . 1 1 60 60 LYS H H 60 8.471 8.471 7.482 0.989 18912 2766 1 16 . 1 1 61 61 CYS N N 61 124.711 124.711 123.069 1.642 18912 2767 1 16 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.521 -0.922 18912 2768 1 16 . 1 1 61 61 CYS H H 61 8.613 8.613 9.322 -0.709 18912 2769 1 17 . 1 1 2 2 CYS N N 2 116.766 116.766 117.730 -0.964 18912 2770 1 17 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.567 -0.996 18912 2771 1 17 . 1 1 2 2 CYS H H 2 8.485 8.485 8.264 0.221 18912 2772 1 17 . 1 1 3 3 GLU N N 3 124.348 124.348 123.517 0.831 18912 2773 1 17 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.169 -0.206 18912 2774 1 17 . 1 1 3 3 GLU H H 3 9.345 9.345 8.864 0.481 18912 2775 1 17 . 1 1 4 4 ARG N N 4 119.167 119.167 120.221 -1.054 18912 2776 1 17 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.159 -0.200 18912 2777 1 17 . 1 1 4 4 ARG H H 4 8.390 8.390 8.325 0.065 18912 2778 1 17 . 1 1 5 5 GLU N N 5 114.022 114.022 117.014 -2.992 18912 2779 1 17 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.142 0.089 18912 2780 1 17 . 1 1 5 5 GLU H H 5 8.309 8.309 7.964 0.345 18912 2781 1 17 . 1 1 6 6 GLN N N 6 113.489 113.489 115.923 -2.434 18912 2782 1 17 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.540 0.005 18912 2783 1 17 . 1 1 6 6 GLN H H 6 7.210 7.210 7.990 -0.780 18912 2784 1 17 . 1 1 7 7 GLN N N 7 114.953 114.953 114.780 0.173 18912 2785 1 17 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.198 -0.108 18912 2786 1 17 . 1 1 7 7 GLN H H 7 7.454 7.454 7.975 -0.521 18912 2787 1 17 . 1 1 8 8 LEU N N 8 118.695 118.695 118.329 0.366 18912 2788 1 17 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.490 0.223 18912 2789 1 17 . 1 1 8 8 LEU H H 8 7.414 7.414 7.685 -0.271 18912 2790 1 17 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.322 -0.014 18912 2791 1 17 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.103 0.524 18912 2792 1 17 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.882 -0.104 18912 2793 1 17 . 1 1 9 9 GLU H H 9 8.250 8.250 8.552 -0.302 18912 2794 1 17 . 1 1 10 10 SER N N 10 120.943 120.943 117.962 2.981 18912 2795 1 17 . 1 1 10 10 SER HA H 10 5.063 5.063 5.020 0.043 18912 2796 1 17 . 1 1 10 10 SER H H 10 8.886 8.886 8.381 0.505 18912 2797 1 17 . 1 1 11 11 CYS N N 11 118.295 118.295 120.470 -2.175 18912 2798 1 17 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.716 0.127 18912 2799 1 17 . 1 1 11 11 CYS H H 11 8.094 8.094 8.676 -0.582 18912 2800 1 17 . 1 1 12 12 ALA N N 12 123.087 123.087 121.505 1.582 18912 2801 1 17 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.599 0.195 18912 2802 1 17 . 1 1 12 12 ALA H H 12 8.419 8.419 8.293 0.126 18912 2803 1 17 . 1 1 13 13 CYS N N 13 123.511 123.511 122.323 1.188 18912 2804 1 17 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.455 -0.252 18912 2805 1 17 . 1 1 13 13 CYS H H 13 9.174 9.174 8.531 0.643 18912 2806 1 17 . 1 1 14 14 ASN N N 14 118.292 118.292 122.647 -4.355 18912 2807 1 17 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.348 0.165 18912 2808 1 17 . 1 1 14 14 ASN H H 14 8.290 8.290 8.729 -0.439 18912 2809 1 17 . 1 1 15 15 GLU N N 15 119.065 119.065 118.969 0.096 18912 2810 1 17 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.281 0.191 18912 2811 1 17 . 1 1 15 15 GLU H H 15 8.197 8.197 7.940 0.257 18912 2812 1 17 . 1 1 16 16 THR HA H 16 3.823 3.823 4.047 -0.224 18912 2813 1 17 . 1 1 16 16 THR CA C 16 67.200 67.200 66.774 0.426 18912 2814 1 17 . 1 1 16 16 THR CB C 16 68.382 68.382 68.801 -0.419 18912 2815 1 17 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.549 -0.067 18912 2816 1 17 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.739 -0.256 18912 2817 1 17 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.152 -1.148 18912 2818 1 17 . 1 1 18 18 ASN N N 18 114.925 114.925 116.883 -1.958 18912 2819 1 17 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.681 0.293 18912 2820 1 17 . 1 1 18 18 ASN H H 18 7.606 7.606 8.789 -1.183 18912 2821 1 17 . 1 1 19 19 SER N N 19 115.866 115.866 116.909 -1.043 18912 2822 1 17 . 1 1 19 19 SER HA H 19 4.209 4.209 4.466 -0.257 18912 2823 1 17 . 1 1 19 19 SER H H 19 7.702 7.702 7.631 0.071 18912 2824 1 17 . 1 1 20 20 CYS N N 20 118.266 118.266 120.018 -1.752 18912 2825 1 17 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.536 0.442 18912 2826 1 17 . 1 1 20 20 CYS H H 20 8.811 8.811 7.602 1.209 18912 2827 1 17 . 1 1 21 21 LYS N N 21 120.561 120.561 120.180 0.381 18912 2828 1 17 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.979 0.133 18912 2829 1 17 . 1 1 21 21 LYS H H 21 7.715 7.715 7.547 0.168 18912 2830 1 17 . 1 1 22 22 VAL N N 22 119.640 119.640 123.768 -4.128 18912 2831 1 17 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.091 -0.336 18912 2832 1 17 . 1 1 22 22 VAL H H 22 8.422 8.422 8.059 0.363 18912 2833 1 17 . 1 1 23 23 CYS N N 23 129.569 129.569 125.839 3.730 18912 2834 1 17 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.221 0.180 18912 2835 1 17 . 1 1 23 23 CYS H H 23 9.030 9.030 8.368 0.662 18912 2836 1 17 . 1 1 24 24 CYS N N 24 116.307 116.307 120.649 -4.342 18912 2837 1 17 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.419 -0.029 18912 2838 1 17 . 1 1 24 24 CYS H H 24 8.746 8.746 9.420 -0.674 18912 2839 1 17 . 1 1 25 25 ARG N N 25 125.239 125.239 121.621 3.618 18912 2840 1 17 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.416 -0.483 18912 2841 1 17 . 1 1 25 25 ARG H H 25 9.219 9.219 8.772 0.447 18912 2842 1 17 . 1 1 26 26 ASP N N 26 125.707 125.707 125.469 0.238 18912 2843 1 17 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.885 -0.194 18912 2844 1 17 . 1 1 26 26 ASP H H 26 8.825 8.825 8.651 0.174 18912 2845 1 17 . 1 1 27 27 LEU N N 27 117.682 117.682 114.069 3.613 18912 2846 1 17 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.275 -0.112 18912 2847 1 17 . 1 1 27 27 LEU H H 27 8.238 8.238 8.301 -0.063 18912 2848 1 17 . 1 1 28 28 SER N N 28 115.328 115.328 113.402 1.926 18912 2849 1 17 . 1 1 28 28 SER HA H 28 4.550 4.550 4.472 0.078 18912 2850 1 17 . 1 1 28 28 SER H H 28 8.413 8.413 8.823 -0.410 18912 2851 1 17 . 1 1 29 29 GLY N N 29 110.481 110.481 107.953 2.528 18912 2852 1 17 . 1 1 29 29 GLY H H 29 8.296 8.296 7.423 0.873 18912 2853 1 17 . 1 1 30 30 ARG N N 30 123.895 123.895 118.924 4.971 18912 2854 1 17 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.789 -0.521 18912 2855 1 17 . 1 1 30 30 ARG H H 30 8.180 8.180 9.071 -0.891 18912 2856 1 17 . 1 1 31 31 CYS N N 31 124.749 124.749 121.065 3.684 18912 2857 1 17 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.518 -0.680 18912 2858 1 17 . 1 1 31 31 CYS H H 31 9.030 9.030 8.697 0.333 18912 2859 1 17 . 1 1 32 32 VAL N N 32 125.179 125.179 122.100 3.079 18912 2860 1 17 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.712 0.344 18912 2861 1 17 . 1 1 32 32 VAL H H 32 8.634 8.634 8.982 -0.348 18912 2862 1 17 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.487 0.618 18912 2863 1 17 . 1 1 34 34 TYR N N 34 125.935 125.935 127.738 -1.803 18912 2864 1 17 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.379 0.040 18912 2865 1 17 . 1 1 34 34 TYR H H 34 8.900 8.900 9.284 -0.384 18912 2866 1 17 . 1 1 35 35 VAL N N 35 128.155 128.155 126.261 1.894 18912 2867 1 17 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.794 -0.615 18912 2868 1 17 . 1 1 35 35 VAL H H 35 7.347 7.347 8.079 -0.732 18912 2869 1 17 . 1 1 36 36 ASP N N 36 125.146 125.146 123.137 2.009 18912 2870 1 17 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.866 -0.511 18912 2871 1 17 . 1 1 36 36 ASP H H 36 8.367 8.367 7.975 0.392 18912 2872 1 17 . 1 1 37 37 ALA N N 37 119.166 119.166 121.303 -2.137 18912 2873 1 17 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.145 -0.018 18912 2874 1 17 . 1 1 37 37 ALA H H 37 8.215 8.215 8.656 -0.441 18912 2875 1 17 . 1 1 38 38 GLU N N 38 117.714 117.714 116.325 1.389 18912 2876 1 17 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.352 0.025 18912 2877 1 17 . 1 1 38 38 GLU H H 38 8.253 8.253 8.243 0.010 18912 2878 1 17 . 1 1 39 39 GLN N N 39 112.433 112.433 114.778 -2.345 18912 2879 1 17 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.921 -0.347 18912 2880 1 17 . 1 1 39 39 GLN H H 39 8.145 8.145 8.067 0.078 18912 2881 1 17 . 1 1 40 40 LYS N N 40 120.092 120.092 118.872 1.220 18912 2882 1 17 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.279 0.223 18912 2883 1 17 . 1 1 40 40 LYS H H 40 8.436 8.436 8.471 -0.035 18912 2884 1 17 . 1 1 41 41 ASN N N 41 115.767 115.767 121.479 -5.712 18912 2885 1 17 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.449 -0.524 18912 2886 1 17 . 1 1 41 41 ASN H H 41 8.151 8.151 8.344 -0.193 18912 2887 1 17 . 1 1 42 42 LEU N N 42 121.155 121.155 118.826 2.329 18912 2888 1 17 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.479 -0.159 18912 2889 1 17 . 1 1 42 42 LEU H H 42 9.130 9.130 8.372 0.758 18912 2890 1 17 . 1 1 43 43 PHE N N 43 120.509 120.509 119.989 0.520 18912 2891 1 17 . 1 1 43 43 PHE HA H 43 5.465 5.465 5.063 0.402 18912 2892 1 17 . 1 1 43 43 PHE H H 43 8.406 8.406 8.506 -0.100 18912 2893 1 17 . 1 1 44 44 LEU N N 44 120.978 120.978 122.813 -1.835 18912 2894 1 17 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.604 -0.326 18912 2895 1 17 . 1 1 44 44 LEU H H 44 8.427 8.427 9.092 -0.665 18912 2896 1 17 . 1 1 45 45 ARG N N 45 120.074 120.074 117.979 2.095 18912 2897 1 17 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.585 -0.541 18912 2898 1 17 . 1 1 45 45 ARG H H 45 8.291 8.291 8.392 -0.101 18912 2899 1 17 . 1 1 46 46 LYS N N 46 121.707 121.707 120.639 1.068 18912 2900 1 17 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.289 -0.481 18912 2901 1 17 . 1 1 46 46 LYS H H 46 8.110 8.110 8.707 -0.597 18912 2902 1 17 . 1 1 47 47 GLY N N 47 114.992 114.992 113.658 1.334 18912 2903 1 17 . 1 1 47 47 GLY H H 47 9.514 9.514 9.080 0.434 18912 2904 1 17 . 1 1 48 48 LYS N N 48 122.565 122.565 120.443 2.122 18912 2905 1 17 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.905 -0.321 18912 2906 1 17 . 1 1 48 48 LYS H H 48 7.855 7.855 7.629 0.226 18912 2907 1 17 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.405 0.104 18912 2908 1 17 . 1 1 50 50 CYS N N 50 118.602 118.602 123.427 -4.825 18912 2909 1 17 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.576 0.363 18912 2910 1 17 . 1 1 50 50 CYS H H 50 8.274 8.274 8.644 -0.370 18912 2911 1 17 . 1 1 51 51 THR N N 51 112.483 112.483 115.712 -3.229 18912 2912 1 17 . 1 1 51 51 THR HA H 51 3.798 3.798 4.099 -0.301 18912 2913 1 17 . 1 1 51 51 THR H H 51 7.498 7.498 8.717 -1.219 18912 2914 1 17 . 1 1 52 52 VAL N N 52 108.404 108.404 116.849 -8.445 18912 2915 1 17 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.152 0.451 18912 2916 1 17 . 1 1 52 52 VAL H H 52 6.672 6.672 7.865 -1.193 18912 2917 1 17 . 1 1 53 53 GLY N N 53 109.222 109.222 107.405 1.817 18912 2918 1 17 . 1 1 53 53 GLY H H 53 6.481 6.481 7.404 -0.922 18912 2919 1 17 . 1 1 54 54 PHE N N 54 127.065 127.065 119.836 7.229 18912 2920 1 17 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.681 -0.553 18912 2921 1 17 . 1 1 54 54 PHE H H 54 9.314 9.314 8.092 1.222 18912 2922 1 17 . 1 1 55 55 CYS N N 55 121.901 121.901 120.181 1.720 18912 2923 1 17 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.253 -0.132 18912 2924 1 17 . 1 1 55 55 CYS H H 55 9.375 9.375 9.076 0.299 18912 2925 1 17 . 1 1 56 56 ASP N N 56 127.032 127.032 126.050 0.982 18912 2926 1 17 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.005 -0.220 18912 2927 1 17 . 1 1 56 56 ASP H H 56 9.135 9.135 8.984 0.151 18912 2928 1 17 . 1 1 57 57 MET N N 57 113.781 113.781 121.145 -7.364 18912 2929 1 17 . 1 1 57 57 MET HA H 57 4.405 4.405 4.362 0.043 18912 2930 1 17 . 1 1 57 57 MET H H 57 8.246 8.246 8.564 -0.318 18912 2931 1 17 . 1 1 58 58 ASN N N 58 118.453 118.453 116.369 2.084 18912 2932 1 17 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.450 0.201 18912 2933 1 17 . 1 1 58 58 ASN H H 58 8.678 8.678 8.744 -0.066 18912 2934 1 17 . 1 1 59 59 GLY N N 59 107.488 107.488 107.041 0.447 18912 2935 1 17 . 1 1 59 59 GLY H H 59 7.820 7.820 7.947 -0.127 18912 2936 1 17 . 1 1 60 60 LYS N N 60 123.743 123.743 118.098 5.645 18912 2937 1 17 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.830 -0.416 18912 2938 1 17 . 1 1 60 60 LYS H H 60 8.471 8.471 7.422 1.049 18912 2939 1 17 . 1 1 61 61 CYS N N 61 124.711 124.711 121.654 3.057 18912 2940 1 17 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.315 -0.716 18912 2941 1 17 . 1 1 61 61 CYS H H 61 8.613 8.613 9.016 -0.403 18912 2942 1 18 . 1 1 2 2 CYS N N 2 116.766 116.766 119.891 -3.125 18912 2943 1 18 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.829 -1.258 18912 2944 1 18 . 1 1 2 2 CYS H H 2 8.485 8.485 7.484 1.001 18912 2945 1 18 . 1 1 3 3 GLU N N 3 124.348 124.348 122.202 2.146 18912 2946 1 18 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.088 -0.125 18912 2947 1 18 . 1 1 3 3 GLU H H 3 9.345 9.345 8.537 0.808 18912 2948 1 18 . 1 1 4 4 ARG N N 4 119.167 119.167 119.308 -0.141 18912 2949 1 18 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.364 -0.405 18912 2950 1 18 . 1 1 4 4 ARG H H 4 8.390 8.390 8.155 0.235 18912 2951 1 18 . 1 1 5 5 GLU N N 5 114.022 114.022 117.312 -3.290 18912 2952 1 18 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.188 0.043 18912 2953 1 18 . 1 1 5 5 GLU H H 5 8.309 8.309 8.515 -0.206 18912 2954 1 18 . 1 1 6 6 GLN N N 6 113.489 113.489 114.670 -1.181 18912 2955 1 18 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.408 0.137 18912 2956 1 18 . 1 1 6 6 GLN H H 6 7.210 7.210 7.907 -0.697 18912 2957 1 18 . 1 1 7 7 GLN N N 7 114.953 114.953 114.467 0.486 18912 2958 1 18 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.056 0.034 18912 2959 1 18 . 1 1 7 7 GLN H H 7 7.454 7.454 8.061 -0.607 18912 2960 1 18 . 1 1 8 8 LEU N N 8 118.695 118.695 118.783 -0.088 18912 2961 1 18 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.435 0.278 18912 2962 1 18 . 1 1 8 8 LEU H H 8 7.414 7.414 7.617 -0.203 18912 2963 1 18 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.215 0.093 18912 2964 1 18 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.432 0.195 18912 2965 1 18 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.652 0.126 18912 2966 1 18 . 1 1 9 9 GLU H H 9 8.250 8.250 8.594 -0.344 18912 2967 1 18 . 1 1 10 10 SER N N 10 120.943 120.943 117.764 3.179 18912 2968 1 18 . 1 1 10 10 SER HA H 10 5.063 5.063 4.994 0.069 18912 2969 1 18 . 1 1 10 10 SER H H 10 8.886 8.886 8.336 0.550 18912 2970 1 18 . 1 1 11 11 CYS N N 11 118.295 118.295 120.430 -2.135 18912 2971 1 18 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.790 0.053 18912 2972 1 18 . 1 1 11 11 CYS H H 11 8.094 8.094 8.583 -0.489 18912 2973 1 18 . 1 1 12 12 ALA N N 12 123.087 123.087 122.004 1.083 18912 2974 1 18 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.739 0.055 18912 2975 1 18 . 1 1 12 12 ALA H H 12 8.419 8.419 8.389 0.030 18912 2976 1 18 . 1 1 13 13 CYS N N 13 123.511 123.511 122.484 1.027 18912 2977 1 18 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.394 -0.191 18912 2978 1 18 . 1 1 13 13 CYS H H 13 9.174 9.174 8.491 0.683 18912 2979 1 18 . 1 1 14 14 ASN N N 14 118.292 118.292 121.796 -3.504 18912 2980 1 18 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.423 0.090 18912 2981 1 18 . 1 1 14 14 ASN H H 14 8.290 8.290 8.767 -0.477 18912 2982 1 18 . 1 1 15 15 GLU N N 15 119.065 119.065 118.625 0.440 18912 2983 1 18 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.274 0.198 18912 2984 1 18 . 1 1 15 15 GLU H H 15 8.197 8.197 7.943 0.254 18912 2985 1 18 . 1 1 16 16 THR HA H 16 3.823 3.823 4.016 -0.193 18912 2986 1 18 . 1 1 16 16 THR CA C 16 67.200 67.200 67.049 0.150 18912 2987 1 18 . 1 1 16 16 THR CB C 16 68.382 68.382 68.877 -0.495 18912 2988 1 18 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.506 -0.024 18912 2989 1 18 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.044 -0.561 18912 2990 1 18 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.077 -1.073 18912 2991 1 18 . 1 1 18 18 ASN N N 18 114.925 114.925 117.020 -2.095 18912 2992 1 18 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.653 0.321 18912 2993 1 18 . 1 1 18 18 ASN H H 18 7.606 7.606 8.852 -1.246 18912 2994 1 18 . 1 1 19 19 SER N N 19 115.866 115.866 115.586 0.280 18912 2995 1 18 . 1 1 19 19 SER HA H 19 4.209 4.209 4.474 -0.265 18912 2996 1 18 . 1 1 19 19 SER H H 19 7.702 7.702 8.052 -0.350 18912 2997 1 18 . 1 1 20 20 CYS N N 20 118.266 118.266 120.776 -2.510 18912 2998 1 18 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.664 0.314 18912 2999 1 18 . 1 1 20 20 CYS H H 20 8.811 8.811 7.867 0.944 18912 3000 1 18 . 1 1 21 21 LYS N N 21 120.561 120.561 121.204 -0.643 18912 3001 1 18 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.945 0.167 18912 3002 1 18 . 1 1 21 21 LYS H H 21 7.715 7.715 7.715 0.000 18912 3003 1 18 . 1 1 22 22 VAL N N 22 119.640 119.640 123.990 -4.350 18912 3004 1 18 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.983 -0.228 18912 3005 1 18 . 1 1 22 22 VAL H H 22 8.422 8.422 8.170 0.252 18912 3006 1 18 . 1 1 23 23 CYS N N 23 129.569 129.569 126.122 3.447 18912 3007 1 18 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.231 0.170 18912 3008 1 18 . 1 1 23 23 CYS H H 23 9.030 9.030 8.403 0.627 18912 3009 1 18 . 1 1 24 24 CYS N N 24 116.307 116.307 121.941 -5.634 18912 3010 1 18 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.484 -0.094 18912 3011 1 18 . 1 1 24 24 CYS H H 24 8.746 8.746 9.473 -0.727 18912 3012 1 18 . 1 1 25 25 ARG N N 25 125.239 125.239 121.443 3.796 18912 3013 1 18 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.559 -0.626 18912 3014 1 18 . 1 1 25 25 ARG H H 25 9.219 9.219 8.725 0.494 18912 3015 1 18 . 1 1 26 26 ASP N N 26 125.707 125.707 125.310 0.397 18912 3016 1 18 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.788 -0.097 18912 3017 1 18 . 1 1 26 26 ASP H H 26 8.825 8.825 8.194 0.631 18912 3018 1 18 . 1 1 27 27 LEU N N 27 117.682 117.682 114.921 2.761 18912 3019 1 18 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.308 -0.145 18912 3020 1 18 . 1 1 27 27 LEU H H 27 8.238 8.238 8.286 -0.048 18912 3021 1 18 . 1 1 28 28 SER N N 28 115.328 115.328 114.792 0.536 18912 3022 1 18 . 1 1 28 28 SER HA H 28 4.550 4.550 4.405 0.145 18912 3023 1 18 . 1 1 28 28 SER H H 28 8.413 8.413 8.910 -0.497 18912 3024 1 18 . 1 1 29 29 GLY N N 29 110.481 110.481 109.507 0.974 18912 3025 1 18 . 1 1 29 29 GLY H H 29 8.296 8.296 7.384 0.912 18912 3026 1 18 . 1 1 30 30 ARG N N 30 123.895 123.895 118.353 5.542 18912 3027 1 18 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.765 -0.497 18912 3028 1 18 . 1 1 30 30 ARG H H 30 8.180 8.180 9.157 -0.977 18912 3029 1 18 . 1 1 31 31 CYS N N 31 124.749 124.749 120.636 4.113 18912 3030 1 18 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.240 -0.402 18912 3031 1 18 . 1 1 31 31 CYS H H 31 9.030 9.030 8.521 0.509 18912 3032 1 18 . 1 1 32 32 VAL N N 32 125.179 125.179 122.682 2.497 18912 3033 1 18 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.745 0.311 18912 3034 1 18 . 1 1 32 32 VAL H H 32 8.634 8.634 9.210 -0.576 18912 3035 1 18 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.636 0.469 18912 3036 1 18 . 1 1 34 34 TYR N N 34 125.935 125.935 127.243 -1.308 18912 3037 1 18 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.318 0.101 18912 3038 1 18 . 1 1 34 34 TYR H H 34 8.900 8.900 9.133 -0.233 18912 3039 1 18 . 1 1 35 35 VAL N N 35 128.155 128.155 125.462 2.693 18912 3040 1 18 . 1 1 35 35 VAL HA H 35 4.179 4.179 5.426 -1.247 18912 3041 1 18 . 1 1 35 35 VAL H H 35 7.347 7.347 8.117 -0.770 18912 3042 1 18 . 1 1 36 36 ASP N N 36 125.146 125.146 125.073 0.073 18912 3043 1 18 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.796 -0.441 18912 3044 1 18 . 1 1 36 36 ASP H H 36 8.367 8.367 8.891 -0.524 18912 3045 1 18 . 1 1 37 37 ALA N N 37 119.166 119.166 123.280 -4.114 18912 3046 1 18 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.090 0.037 18912 3047 1 18 . 1 1 37 37 ALA H H 37 8.215 8.215 8.744 -0.529 18912 3048 1 18 . 1 1 38 38 GLU N N 38 117.714 117.714 117.466 0.248 18912 3049 1 18 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.382 -0.005 18912 3050 1 18 . 1 1 38 38 GLU H H 38 8.253 8.253 8.067 0.186 18912 3051 1 18 . 1 1 39 39 GLN N N 39 112.433 112.433 114.256 -1.823 18912 3052 1 18 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.942 -0.368 18912 3053 1 18 . 1 1 39 39 GLN H H 39 8.145 8.145 8.237 -0.092 18912 3054 1 18 . 1 1 40 40 LYS N N 40 120.092 120.092 119.040 1.052 18912 3055 1 18 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.311 0.191 18912 3056 1 18 . 1 1 40 40 LYS H H 40 8.436 8.436 7.784 0.652 18912 3057 1 18 . 1 1 41 41 ASN N N 41 115.767 115.767 119.401 -3.634 18912 3058 1 18 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.437 -0.512 18912 3059 1 18 . 1 1 41 41 ASN H H 41 8.151 8.151 8.443 -0.292 18912 3060 1 18 . 1 1 42 42 LEU N N 42 121.155 121.155 120.410 0.745 18912 3061 1 18 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.432 -0.112 18912 3062 1 18 . 1 1 42 42 LEU H H 42 9.130 9.130 8.349 0.781 18912 3063 1 18 . 1 1 43 43 PHE N N 43 120.509 120.509 121.392 -0.883 18912 3064 1 18 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.969 0.496 18912 3065 1 18 . 1 1 43 43 PHE H H 43 8.406 8.406 8.630 -0.224 18912 3066 1 18 . 1 1 44 44 LEU N N 44 120.978 120.978 124.003 -3.025 18912 3067 1 18 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.155 0.123 18912 3068 1 18 . 1 1 44 44 LEU H H 44 8.427 8.427 8.601 -0.174 18912 3069 1 18 . 1 1 45 45 ARG N N 45 120.074 120.074 119.300 0.774 18912 3070 1 18 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.329 -0.285 18912 3071 1 18 . 1 1 45 45 ARG H H 45 8.291 8.291 8.386 -0.095 18912 3072 1 18 . 1 1 46 46 LYS N N 46 121.707 121.707 120.043 1.664 18912 3073 1 18 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.469 -0.661 18912 3074 1 18 . 1 1 46 46 LYS H H 46 8.110 8.110 8.155 -0.045 18912 3075 1 18 . 1 1 47 47 GLY N N 47 114.992 114.992 110.254 4.738 18912 3076 1 18 . 1 1 47 47 GLY H H 47 9.514 9.514 9.295 0.219 18912 3077 1 18 . 1 1 48 48 LYS N N 48 122.565 122.565 122.622 -0.057 18912 3078 1 18 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.791 -0.207 18912 3079 1 18 . 1 1 48 48 LYS H H 48 7.855 7.855 7.723 0.132 18912 3080 1 18 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.325 0.184 18912 3081 1 18 . 1 1 50 50 CYS N N 50 118.602 118.602 120.897 -2.295 18912 3082 1 18 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.601 0.338 18912 3083 1 18 . 1 1 50 50 CYS H H 50 8.274 8.274 8.558 -0.284 18912 3084 1 18 . 1 1 51 51 THR N N 51 112.483 112.483 116.355 -3.872 18912 3085 1 18 . 1 1 51 51 THR HA H 51 3.798 3.798 3.963 -0.165 18912 3086 1 18 . 1 1 51 51 THR H H 51 7.498 7.498 8.416 -0.918 18912 3087 1 18 . 1 1 52 52 VAL N N 52 108.404 108.404 116.312 -7.908 18912 3088 1 18 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.335 0.268 18912 3089 1 18 . 1 1 52 52 VAL H H 52 6.672 6.672 8.012 -1.340 18912 3090 1 18 . 1 1 53 53 GLY N N 53 109.222 109.222 107.321 1.901 18912 3091 1 18 . 1 1 53 53 GLY H H 53 6.481 6.481 7.708 -1.227 18912 3092 1 18 . 1 1 54 54 PHE N N 54 127.065 127.065 117.527 9.538 18912 3093 1 18 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.200 -0.073 18912 3094 1 18 . 1 1 54 54 PHE H H 54 9.314 9.314 8.070 1.244 18912 3095 1 18 . 1 1 55 55 CYS N N 55 121.901 121.901 121.490 0.411 18912 3096 1 18 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.596 -0.475 18912 3097 1 18 . 1 1 55 55 CYS H H 55 9.375 9.375 8.833 0.542 18912 3098 1 18 . 1 1 56 56 ASP N N 56 127.032 127.032 126.742 0.290 18912 3099 1 18 . 1 1 56 56 ASP HA H 56 4.785 4.785 4.932 -0.147 18912 3100 1 18 . 1 1 56 56 ASP H H 56 9.135 9.135 8.488 0.647 18912 3101 1 18 . 1 1 57 57 MET N N 57 113.781 113.781 120.060 -6.279 18912 3102 1 18 . 1 1 57 57 MET HA H 57 4.405 4.405 4.153 0.252 18912 3103 1 18 . 1 1 57 57 MET H H 57 8.246 8.246 8.387 -0.141 18912 3104 1 18 . 1 1 58 58 ASN N N 58 118.453 118.453 116.051 2.402 18912 3105 1 18 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.607 0.044 18912 3106 1 18 . 1 1 58 58 ASN H H 58 8.678 8.678 8.031 0.647 18912 3107 1 18 . 1 1 59 59 GLY N N 59 107.488 107.488 109.200 -1.712 18912 3108 1 18 . 1 1 59 59 GLY H H 59 7.820 7.820 8.398 -0.578 18912 3109 1 18 . 1 1 60 60 LYS N N 60 123.743 123.743 117.929 5.814 18912 3110 1 18 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.892 -0.478 18912 3111 1 18 . 1 1 60 60 LYS H H 60 8.471 8.471 7.460 1.011 18912 3112 1 18 . 1 1 61 61 CYS N N 61 124.711 124.711 120.853 3.858 18912 3113 1 18 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.388 -0.789 18912 3114 1 18 . 1 1 61 61 CYS H H 61 8.613 8.613 8.796 -0.183 18912 3115 1 19 . 1 1 2 2 CYS N N 2 116.766 116.766 120.293 -3.527 18912 3116 1 19 . 1 1 2 2 CYS HA H 2 3.571 3.571 3.927 -0.356 18912 3117 1 19 . 1 1 2 2 CYS H H 2 8.485 8.485 8.733 -0.248 18912 3118 1 19 . 1 1 3 3 GLU N N 3 124.348 124.348 120.892 3.456 18912 3119 1 19 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.085 -0.122 18912 3120 1 19 . 1 1 3 3 GLU H H 3 9.345 9.345 8.795 0.550 18912 3121 1 19 . 1 1 4 4 ARG N N 4 119.167 119.167 118.686 0.481 18912 3122 1 19 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.213 -0.254 18912 3123 1 19 . 1 1 4 4 ARG H H 4 8.390 8.390 7.597 0.793 18912 3124 1 19 . 1 1 5 5 GLU N N 5 114.022 114.022 118.228 -4.206 18912 3125 1 19 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.115 0.116 18912 3126 1 19 . 1 1 5 5 GLU H H 5 8.309 8.309 7.873 0.436 18912 3127 1 19 . 1 1 6 6 GLN N N 6 113.489 113.489 114.384 -0.895 18912 3128 1 19 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.547 -0.002 18912 3129 1 19 . 1 1 6 6 GLN H H 6 7.210 7.210 8.240 -1.030 18912 3130 1 19 . 1 1 7 7 GLN N N 7 114.953 114.953 113.902 1.051 18912 3131 1 19 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.191 -0.101 18912 3132 1 19 . 1 1 7 7 GLN H H 7 7.454 7.454 8.006 -0.552 18912 3133 1 19 . 1 1 8 8 LEU N N 8 118.695 118.695 119.392 -0.697 18912 3134 1 19 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.484 0.229 18912 3135 1 19 . 1 1 8 8 LEU H H 8 7.414 7.414 7.654 -0.240 18912 3136 1 19 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.473 -0.165 18912 3137 1 19 . 1 1 9 9 GLU CA C 9 55.627 55.627 54.579 1.048 18912 3138 1 19 . 1 1 9 9 GLU CB C 9 31.778 31.778 32.311 -0.533 18912 3139 1 19 . 1 1 9 9 GLU H H 9 8.250 8.250 8.150 0.100 18912 3140 1 19 . 1 1 10 10 SER N N 10 120.943 120.943 116.701 4.242 18912 3141 1 19 . 1 1 10 10 SER HA H 10 5.063 5.063 4.911 0.152 18912 3142 1 19 . 1 1 10 10 SER H H 10 8.886 8.886 8.409 0.477 18912 3143 1 19 . 1 1 11 11 CYS N N 11 118.295 118.295 116.804 1.491 18912 3144 1 19 . 1 1 11 11 CYS HA H 11 4.843 4.843 5.124 -0.281 18912 3145 1 19 . 1 1 11 11 CYS H H 11 8.094 8.094 8.451 -0.357 18912 3146 1 19 . 1 1 12 12 ALA N N 12 123.087 123.087 121.549 1.538 18912 3147 1 19 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.798 -0.004 18912 3148 1 19 . 1 1 12 12 ALA H H 12 8.419 8.419 8.253 0.166 18912 3149 1 19 . 1 1 13 13 CYS N N 13 123.511 123.511 122.815 0.696 18912 3150 1 19 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.430 -0.227 18912 3151 1 19 . 1 1 13 13 CYS H H 13 9.174 9.174 8.427 0.747 18912 3152 1 19 . 1 1 14 14 ASN N N 14 118.292 118.292 120.349 -2.057 18912 3153 1 19 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.442 0.071 18912 3154 1 19 . 1 1 14 14 ASN H H 14 8.290 8.290 8.646 -0.356 18912 3155 1 19 . 1 1 15 15 GLU N N 15 119.065 119.065 118.350 0.715 18912 3156 1 19 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.312 0.160 18912 3157 1 19 . 1 1 15 15 GLU H H 15 8.197 8.197 7.871 0.326 18912 3158 1 19 . 1 1 16 16 THR HA H 16 3.823 3.823 4.017 -0.194 18912 3159 1 19 . 1 1 16 16 THR CA C 16 67.200 67.200 67.331 -0.131 18912 3160 1 19 . 1 1 16 16 THR CB C 16 68.382 68.382 68.902 -0.520 18912 3161 1 19 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.893 -0.411 18912 3162 1 19 . 1 1 17 17 ASP CA C 17 56.483 56.483 56.858 -0.375 18912 3163 1 19 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.156 -1.152 18912 3164 1 19 . 1 1 18 18 ASN N N 18 114.925 114.925 116.503 -1.578 18912 3165 1 19 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.714 0.260 18912 3166 1 19 . 1 1 18 18 ASN H H 18 7.606 7.606 8.966 -1.360 18912 3167 1 19 . 1 1 19 19 SER N N 19 115.866 115.866 115.775 0.091 18912 3168 1 19 . 1 1 19 19 SER HA H 19 4.209 4.209 4.514 -0.305 18912 3169 1 19 . 1 1 19 19 SER H H 19 7.702 7.702 7.752 -0.050 18912 3170 1 19 . 1 1 20 20 CYS N N 20 118.266 118.266 120.858 -2.592 18912 3171 1 19 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.720 0.258 18912 3172 1 19 . 1 1 20 20 CYS H H 20 8.811 8.811 7.687 1.124 18912 3173 1 19 . 1 1 21 21 LYS N N 21 120.561 120.561 120.080 0.481 18912 3174 1 19 . 1 1 21 21 LYS HA H 21 5.112 5.112 5.024 0.088 18912 3175 1 19 . 1 1 21 21 LYS H H 21 7.715 7.715 7.707 0.008 18912 3176 1 19 . 1 1 22 22 VAL N N 22 119.640 119.640 122.105 -2.465 18912 3177 1 19 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.186 -0.431 18912 3178 1 19 . 1 1 22 22 VAL H H 22 8.422 8.422 8.246 0.176 18912 3179 1 19 . 1 1 23 23 CYS N N 23 129.569 129.569 125.971 3.598 18912 3180 1 19 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.252 0.149 18912 3181 1 19 . 1 1 23 23 CYS H H 23 9.030 9.030 8.308 0.722 18912 3182 1 19 . 1 1 24 24 CYS N N 24 116.307 116.307 119.563 -3.256 18912 3183 1 19 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.207 0.183 18912 3184 1 19 . 1 1 24 24 CYS H H 24 8.746 8.746 9.381 -0.635 18912 3185 1 19 . 1 1 25 25 ARG N N 25 125.239 125.239 122.004 3.235 18912 3186 1 19 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.563 -0.630 18912 3187 1 19 . 1 1 25 25 ARG H H 25 9.219 9.219 8.990 0.229 18912 3188 1 19 . 1 1 26 26 ASP N N 26 125.707 125.707 125.418 0.289 18912 3189 1 19 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.847 -0.156 18912 3190 1 19 . 1 1 26 26 ASP H H 26 8.825 8.825 8.280 0.545 18912 3191 1 19 . 1 1 27 27 LEU N N 27 117.682 117.682 117.647 0.035 18912 3192 1 19 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.118 0.045 18912 3193 1 19 . 1 1 27 27 LEU H H 27 8.238 8.238 8.391 -0.153 18912 3194 1 19 . 1 1 28 28 SER N N 28 115.328 115.328 112.690 2.638 18912 3195 1 19 . 1 1 28 28 SER HA H 28 4.550 4.550 4.374 0.176 18912 3196 1 19 . 1 1 28 28 SER H H 28 8.413 8.413 8.719 -0.306 18912 3197 1 19 . 1 1 29 29 GLY N N 29 110.481 110.481 107.988 2.493 18912 3198 1 19 . 1 1 29 29 GLY H H 29 8.296 8.296 7.480 0.816 18912 3199 1 19 . 1 1 30 30 ARG N N 30 123.895 123.895 118.756 5.139 18912 3200 1 19 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.675 -0.407 18912 3201 1 19 . 1 1 30 30 ARG H H 30 8.180 8.180 9.194 -1.014 18912 3202 1 19 . 1 1 31 31 CYS N N 31 124.749 124.749 120.705 4.044 18912 3203 1 19 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.381 -0.543 18912 3204 1 19 . 1 1 31 31 CYS H H 31 9.030 9.030 8.484 0.546 18912 3205 1 19 . 1 1 32 32 VAL N N 32 125.179 125.179 123.027 2.152 18912 3206 1 19 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.773 0.283 18912 3207 1 19 . 1 1 32 32 VAL H H 32 8.634 8.634 9.320 -0.686 18912 3208 1 19 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.568 0.537 18912 3209 1 19 . 1 1 34 34 TYR N N 34 125.935 125.935 127.957 -2.022 18912 3210 1 19 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.372 0.047 18912 3211 1 19 . 1 1 34 34 TYR H H 34 8.900 8.900 9.235 -0.335 18912 3212 1 19 . 1 1 35 35 VAL N N 35 128.155 128.155 124.819 3.336 18912 3213 1 19 . 1 1 35 35 VAL HA H 35 4.179 4.179 5.031 -0.852 18912 3214 1 19 . 1 1 35 35 VAL H H 35 7.347 7.347 8.042 -0.695 18912 3215 1 19 . 1 1 36 36 ASP N N 36 125.146 125.146 123.571 1.575 18912 3216 1 19 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.927 -0.572 18912 3217 1 19 . 1 1 36 36 ASP H H 36 8.367 8.367 8.012 0.355 18912 3218 1 19 . 1 1 37 37 ALA N N 37 119.166 119.166 123.493 -4.327 18912 3219 1 19 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.047 0.080 18912 3220 1 19 . 1 1 37 37 ALA H H 37 8.215 8.215 8.889 -0.674 18912 3221 1 19 . 1 1 38 38 GLU N N 38 117.714 117.714 116.694 1.020 18912 3222 1 19 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.233 0.144 18912 3223 1 19 . 1 1 38 38 GLU H H 38 8.253 8.253 7.793 0.460 18912 3224 1 19 . 1 1 39 39 GLN N N 39 112.433 112.433 113.975 -1.542 18912 3225 1 19 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.883 -0.309 18912 3226 1 19 . 1 1 39 39 GLN H H 39 8.145 8.145 8.308 -0.163 18912 3227 1 19 . 1 1 40 40 LYS N N 40 120.092 120.092 119.264 0.828 18912 3228 1 19 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.268 0.234 18912 3229 1 19 . 1 1 40 40 LYS H H 40 8.436 8.436 8.491 -0.055 18912 3230 1 19 . 1 1 41 41 ASN N N 41 115.767 115.767 119.881 -4.114 18912 3231 1 19 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.413 -0.488 18912 3232 1 19 . 1 1 41 41 ASN H H 41 8.151 8.151 8.292 -0.141 18912 3233 1 19 . 1 1 42 42 LEU N N 42 121.155 121.155 119.794 1.361 18912 3234 1 19 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.541 -0.221 18912 3235 1 19 . 1 1 42 42 LEU H H 42 9.130 9.130 8.564 0.566 18912 3236 1 19 . 1 1 43 43 PHE N N 43 120.509 120.509 120.591 -0.082 18912 3237 1 19 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.497 0.968 18912 3238 1 19 . 1 1 43 43 PHE H H 43 8.406 8.406 8.338 0.068 18912 3239 1 19 . 1 1 44 44 LEU N N 44 120.978 120.978 122.118 -1.140 18912 3240 1 19 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.634 -0.356 18912 3241 1 19 . 1 1 44 44 LEU H H 44 8.427 8.427 8.533 -0.106 18912 3242 1 19 . 1 1 45 45 ARG N N 45 120.074 120.074 119.361 0.713 18912 3243 1 19 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.634 -0.590 18912 3244 1 19 . 1 1 45 45 ARG H H 45 8.291 8.291 8.454 -0.163 18912 3245 1 19 . 1 1 46 46 LYS N N 46 121.707 121.707 119.582 2.125 18912 3246 1 19 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.265 -0.457 18912 3247 1 19 . 1 1 46 46 LYS H H 46 8.110 8.110 8.195 -0.085 18912 3248 1 19 . 1 1 47 47 GLY N N 47 114.992 114.992 107.539 7.453 18912 3249 1 19 . 1 1 47 47 GLY H H 47 9.514 9.514 9.035 0.479 18912 3250 1 19 . 1 1 48 48 LYS N N 48 122.565 122.565 122.152 0.413 18912 3251 1 19 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.835 -0.251 18912 3252 1 19 . 1 1 48 48 LYS H H 48 7.855 7.855 8.007 -0.152 18912 3253 1 19 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.312 0.197 18912 3254 1 19 . 1 1 50 50 CYS N N 50 118.602 118.602 122.083 -3.481 18912 3255 1 19 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.703 0.236 18912 3256 1 19 . 1 1 50 50 CYS H H 50 8.274 8.274 8.636 -0.362 18912 3257 1 19 . 1 1 51 51 THR N N 51 112.483 112.483 114.084 -1.601 18912 3258 1 19 . 1 1 51 51 THR HA H 51 3.798 3.798 4.064 -0.266 18912 3259 1 19 . 1 1 51 51 THR H H 51 7.498 7.498 8.307 -0.809 18912 3260 1 19 . 1 1 52 52 VAL N N 52 108.404 108.404 114.823 -6.419 18912 3261 1 19 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.520 0.083 18912 3262 1 19 . 1 1 52 52 VAL H H 52 6.672 6.672 7.710 -1.038 18912 3263 1 19 . 1 1 53 53 GLY N N 53 109.222 109.222 108.329 0.893 18912 3264 1 19 . 1 1 53 53 GLY H H 53 6.481 6.481 7.364 -0.883 18912 3265 1 19 . 1 1 54 54 PHE N N 54 127.065 127.065 119.750 7.315 18912 3266 1 19 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.331 -0.203 18912 3267 1 19 . 1 1 54 54 PHE H H 54 9.314 9.314 8.172 1.142 18912 3268 1 19 . 1 1 55 55 CYS N N 55 121.901 121.901 118.377 3.524 18912 3269 1 19 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.820 -0.699 18912 3270 1 19 . 1 1 55 55 CYS H H 55 9.375 9.375 8.859 0.516 18912 3271 1 19 . 1 1 56 56 ASP N N 56 127.032 127.032 119.913 7.119 18912 3272 1 19 . 1 1 56 56 ASP HA H 56 4.785 4.785 4.946 -0.161 18912 3273 1 19 . 1 1 56 56 ASP H H 56 9.135 9.135 8.797 0.338 18912 3274 1 19 . 1 1 57 57 MET N N 57 113.781 113.781 115.777 -1.996 18912 3275 1 19 . 1 1 57 57 MET HA H 57 4.405 4.405 4.602 -0.197 18912 3276 1 19 . 1 1 57 57 MET H H 57 8.246 8.246 8.362 -0.116 18912 3277 1 19 . 1 1 58 58 ASN N N 58 118.453 118.453 115.354 3.099 18912 3278 1 19 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.597 0.054 18912 3279 1 19 . 1 1 58 58 ASN H H 58 8.678 8.678 8.763 -0.085 18912 3280 1 19 . 1 1 59 59 GLY N N 59 107.488 107.488 106.001 1.487 18912 3281 1 19 . 1 1 59 59 GLY H H 59 7.820 7.820 8.475 -0.655 18912 3282 1 19 . 1 1 60 60 LYS N N 60 123.743 123.743 120.517 3.226 18912 3283 1 19 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.691 -0.277 18912 3284 1 19 . 1 1 60 60 LYS H H 60 8.471 8.471 9.180 -0.709 18912 3285 1 19 . 1 1 61 61 CYS N N 61 124.711 124.711 118.515 6.196 18912 3286 1 19 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.604 -1.005 18912 3287 1 19 . 1 1 61 61 CYS H H 61 8.613 8.613 8.515 0.098 18912 3288 1 20 . 1 1 2 2 CYS N N 2 116.766 116.766 119.945 -3.179 18912 3289 1 20 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.065 -0.494 18912 3290 1 20 . 1 1 2 2 CYS H H 2 8.485 8.485 9.185 -0.700 18912 3291 1 20 . 1 1 3 3 GLU N N 3 124.348 124.348 120.525 3.823 18912 3292 1 20 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.178 -0.215 18912 3293 1 20 . 1 1 3 3 GLU H H 3 9.345 9.345 8.357 0.988 18912 3294 1 20 . 1 1 4 4 ARG N N 4 119.167 119.167 118.009 1.158 18912 3295 1 20 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.331 -0.372 18912 3296 1 20 . 1 1 4 4 ARG H H 4 8.390 8.390 8.533 -0.143 18912 3297 1 20 . 1 1 5 5 GLU N N 5 114.022 114.022 119.378 -5.356 18912 3298 1 20 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.124 0.107 18912 3299 1 20 . 1 1 5 5 GLU H H 5 8.309 8.309 8.239 0.070 18912 3300 1 20 . 1 1 6 6 GLN N N 6 113.489 113.489 116.861 -3.372 18912 3301 1 20 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.504 0.041 18912 3302 1 20 . 1 1 6 6 GLN H H 6 7.210 7.210 7.743 -0.533 18912 3303 1 20 . 1 1 7 7 GLN N N 7 114.953 114.953 113.129 1.824 18912 3304 1 20 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.154 -0.064 18912 3305 1 20 . 1 1 7 7 GLN H H 7 7.454 7.454 8.114 -0.660 18912 3306 1 20 . 1 1 8 8 LEU N N 8 118.695 118.695 118.133 0.562 18912 3307 1 20 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.600 0.113 18912 3308 1 20 . 1 1 8 8 LEU H H 8 7.414 7.414 7.847 -0.433 18912 3309 1 20 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.565 -0.257 18912 3310 1 20 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.394 0.233 18912 3311 1 20 . 1 1 9 9 GLU CB C 9 31.778 31.778 32.224 -0.446 18912 3312 1 20 . 1 1 9 9 GLU H H 9 8.250 8.250 8.572 -0.322 18912 3313 1 20 . 1 1 10 10 SER N N 10 120.943 120.943 119.474 1.469 18912 3314 1 20 . 1 1 10 10 SER HA H 10 5.063 5.063 4.685 0.378 18912 3315 1 20 . 1 1 10 10 SER H H 10 8.886 8.886 8.545 0.341 18912 3316 1 20 . 1 1 11 11 CYS N N 11 118.295 118.295 118.391 -0.096 18912 3317 1 20 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.897 -0.054 18912 3318 1 20 . 1 1 11 11 CYS H H 11 8.094 8.094 8.715 -0.621 18912 3319 1 20 . 1 1 12 12 ALA N N 12 123.087 123.087 121.803 1.284 18912 3320 1 20 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.695 0.099 18912 3321 1 20 . 1 1 12 12 ALA H H 12 8.419 8.419 8.210 0.209 18912 3322 1 20 . 1 1 13 13 CYS N N 13 123.511 123.511 123.832 -0.321 18912 3323 1 20 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.392 -0.189 18912 3324 1 20 . 1 1 13 13 CYS H H 13 9.174 9.174 8.540 0.634 18912 3325 1 20 . 1 1 14 14 ASN N N 14 118.292 118.292 121.228 -2.936 18912 3326 1 20 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.413 0.100 18912 3327 1 20 . 1 1 14 14 ASN H H 14 8.290 8.290 8.590 -0.300 18912 3328 1 20 . 1 1 15 15 GLU N N 15 119.065 119.065 118.184 0.881 18912 3329 1 20 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.279 0.193 18912 3330 1 20 . 1 1 15 15 GLU H H 15 8.197 8.197 7.901 0.296 18912 3331 1 20 . 1 1 16 16 THR HA H 16 3.823 3.823 4.021 -0.198 18912 3332 1 20 . 1 1 16 16 THR CA C 16 67.200 67.200 66.806 0.394 18912 3333 1 20 . 1 1 16 16 THR CB C 16 68.382 68.382 68.853 -0.471 18912 3334 1 20 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.444 0.038 18912 3335 1 20 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.240 -0.757 18912 3336 1 20 . 1 1 17 17 ASP CB C 17 40.004 40.004 41.004 -1.000 18912 3337 1 20 . 1 1 18 18 ASN N N 18 114.925 114.925 116.433 -1.508 18912 3338 1 20 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.650 0.324 18912 3339 1 20 . 1 1 18 18 ASN H H 18 7.606 7.606 8.980 -1.374 18912 3340 1 20 . 1 1 19 19 SER N N 19 115.866 115.866 115.754 0.112 18912 3341 1 20 . 1 1 19 19 SER HA H 19 4.209 4.209 4.408 -0.199 18912 3342 1 20 . 1 1 19 19 SER H H 19 7.702 7.702 7.659 0.043 18912 3343 1 20 . 1 1 20 20 CYS N N 20 118.266 118.266 120.303 -2.037 18912 3344 1 20 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.662 0.316 18912 3345 1 20 . 1 1 20 20 CYS H H 20 8.811 8.811 7.625 1.186 18912 3346 1 20 . 1 1 21 21 LYS N N 21 120.561 120.561 120.329 0.232 18912 3347 1 20 . 1 1 21 21 LYS HA H 21 5.112 5.112 5.252 -0.140 18912 3348 1 20 . 1 1 21 21 LYS H H 21 7.715 7.715 7.345 0.370 18912 3349 1 20 . 1 1 22 22 VAL N N 22 119.640 119.640 123.799 -4.159 18912 3350 1 20 . 1 1 22 22 VAL HA H 22 3.755 3.755 3.855 -0.100 18912 3351 1 20 . 1 1 22 22 VAL H H 22 8.422 8.422 8.165 0.257 18912 3352 1 20 . 1 1 23 23 CYS N N 23 129.569 129.569 125.897 3.672 18912 3353 1 20 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.236 0.165 18912 3354 1 20 . 1 1 23 23 CYS H H 23 9.030 9.030 8.241 0.789 18912 3355 1 20 . 1 1 24 24 CYS N N 24 116.307 116.307 120.460 -4.153 18912 3356 1 20 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.725 -0.335 18912 3357 1 20 . 1 1 24 24 CYS H H 24 8.746 8.746 9.458 -0.712 18912 3358 1 20 . 1 1 25 25 ARG N N 25 125.239 125.239 119.773 5.466 18912 3359 1 20 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.684 -0.751 18912 3360 1 20 . 1 1 25 25 ARG H H 25 9.219 9.219 8.897 0.322 18912 3361 1 20 . 1 1 26 26 ASP N N 26 125.707 125.707 119.972 5.735 18912 3362 1 20 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.774 -0.083 18912 3363 1 20 . 1 1 26 26 ASP H H 26 8.825 8.825 8.255 0.570 18912 3364 1 20 . 1 1 27 27 LEU N N 27 117.682 117.682 116.871 0.811 18912 3365 1 20 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.277 -0.114 18912 3366 1 20 . 1 1 27 27 LEU H H 27 8.238 8.238 8.447 -0.209 18912 3367 1 20 . 1 1 28 28 SER N N 28 115.328 115.328 112.055 3.273 18912 3368 1 20 . 1 1 28 28 SER HA H 28 4.550 4.550 4.489 0.061 18912 3369 1 20 . 1 1 28 28 SER H H 28 8.413 8.413 8.864 -0.451 18912 3370 1 20 . 1 1 29 29 GLY N N 29 110.481 110.481 108.967 1.514 18912 3371 1 20 . 1 1 29 29 GLY H H 29 8.296 8.296 7.713 0.583 18912 3372 1 20 . 1 1 30 30 ARG N N 30 123.895 123.895 119.724 4.171 18912 3373 1 20 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.660 -0.392 18912 3374 1 20 . 1 1 30 30 ARG H H 30 8.180 8.180 9.294 -1.114 18912 3375 1 20 . 1 1 31 31 CYS N N 31 124.749 124.749 120.381 4.368 18912 3376 1 20 . 1 1 31 31 CYS HA H 31 4.838 4.838 4.989 -0.151 18912 3377 1 20 . 1 1 31 31 CYS H H 31 9.030 9.030 8.549 0.481 18912 3378 1 20 . 1 1 32 32 VAL N N 32 125.179 125.179 122.864 2.315 18912 3379 1 20 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.758 0.298 18912 3380 1 20 . 1 1 32 32 VAL H H 32 8.634 8.634 9.377 -0.743 18912 3381 1 20 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.571 0.534 18912 3382 1 20 . 1 1 34 34 TYR N N 34 125.935 125.935 127.798 -1.863 18912 3383 1 20 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.380 0.039 18912 3384 1 20 . 1 1 34 34 TYR H H 34 8.900 8.900 9.150 -0.250 18912 3385 1 20 . 1 1 35 35 VAL N N 35 128.155 128.155 125.092 3.063 18912 3386 1 20 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.997 -0.818 18912 3387 1 20 . 1 1 35 35 VAL H H 35 7.347 7.347 7.489 -0.142 18912 3388 1 20 . 1 1 36 36 ASP N N 36 125.146 125.146 124.387 0.759 18912 3389 1 20 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.570 -0.215 18912 3390 1 20 . 1 1 36 36 ASP H H 36 8.367 8.367 8.493 -0.126 18912 3391 1 20 . 1 1 37 37 ALA N N 37 119.166 119.166 124.739 -5.573 18912 3392 1 20 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.032 0.095 18912 3393 1 20 . 1 1 37 37 ALA H H 37 8.215 8.215 8.762 -0.547 18912 3394 1 20 . 1 1 38 38 GLU N N 38 117.714 117.714 117.794 -0.080 18912 3395 1 20 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.351 0.026 18912 3396 1 20 . 1 1 38 38 GLU H H 38 8.253 8.253 8.539 -0.286 18912 3397 1 20 . 1 1 39 39 GLN N N 39 112.433 112.433 113.385 -0.952 18912 3398 1 20 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.873 -0.299 18912 3399 1 20 . 1 1 39 39 GLN H H 39 8.145 8.145 8.309 -0.164 18912 3400 1 20 . 1 1 40 40 LYS N N 40 120.092 120.092 118.697 1.395 18912 3401 1 20 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.372 0.130 18912 3402 1 20 . 1 1 40 40 LYS H H 40 8.436 8.436 8.084 0.352 18912 3403 1 20 . 1 1 41 41 ASN N N 41 115.767 115.767 119.680 -3.913 18912 3404 1 20 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.062 -0.137 18912 3405 1 20 . 1 1 41 41 ASN H H 41 8.151 8.151 8.559 -0.408 18912 3406 1 20 . 1 1 42 42 LEU N N 42 121.155 121.155 121.305 -0.150 18912 3407 1 20 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.738 -0.418 18912 3408 1 20 . 1 1 42 42 LEU H H 42 9.130 9.130 8.712 0.418 18912 3409 1 20 . 1 1 43 43 PHE N N 43 120.509 120.509 120.896 -0.387 18912 3410 1 20 . 1 1 43 43 PHE HA H 43 5.465 5.465 5.173 0.292 18912 3411 1 20 . 1 1 43 43 PHE H H 43 8.406 8.406 8.709 -0.303 18912 3412 1 20 . 1 1 44 44 LEU N N 44 120.978 120.978 122.630 -1.652 18912 3413 1 20 . 1 1 44 44 LEU HA H 44 4.278 4.278 3.941 0.337 18912 3414 1 20 . 1 1 44 44 LEU H H 44 8.427 8.427 8.854 -0.427 18912 3415 1 20 . 1 1 45 45 ARG N N 45 120.074 120.074 118.892 1.182 18912 3416 1 20 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.440 -0.396 18912 3417 1 20 . 1 1 45 45 ARG H H 45 8.291 8.291 8.205 0.086 18912 3418 1 20 . 1 1 46 46 LYS N N 46 121.707 121.707 118.020 3.687 18912 3419 1 20 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.915 -1.107 18912 3420 1 20 . 1 1 46 46 LYS H H 46 8.110 8.110 8.317 -0.207 18912 3421 1 20 . 1 1 47 47 GLY N N 47 114.992 114.992 114.075 0.917 18912 3422 1 20 . 1 1 47 47 GLY H H 47 9.514 9.514 9.424 0.090 18912 3423 1 20 . 1 1 48 48 LYS N N 48 122.565 122.565 119.859 2.706 18912 3424 1 20 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.900 -0.316 18912 3425 1 20 . 1 1 48 48 LYS H H 48 7.855 7.855 7.660 0.195 18912 3426 1 20 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.936 -0.427 18912 3427 1 20 . 1 1 50 50 CYS N N 50 118.602 118.602 123.056 -4.454 18912 3428 1 20 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.880 0.059 18912 3429 1 20 . 1 1 50 50 CYS H H 50 8.274 8.274 8.759 -0.485 18912 3430 1 20 . 1 1 51 51 THR N N 51 112.483 112.483 115.379 -2.896 18912 3431 1 20 . 1 1 51 51 THR HA H 51 3.798 3.798 4.085 -0.287 18912 3432 1 20 . 1 1 51 51 THR H H 51 7.498 7.498 8.218 -0.720 18912 3433 1 20 . 1 1 52 52 VAL N N 52 108.404 108.404 118.953 -10.549 18912 3434 1 20 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.154 0.449 18912 3435 1 20 . 1 1 52 52 VAL H H 52 6.672 6.672 8.056 -1.384 18912 3436 1 20 . 1 1 53 53 GLY N N 53 109.222 109.222 107.734 1.488 18912 3437 1 20 . 1 1 53 53 GLY H H 53 6.481 6.481 7.493 -1.012 18912 3438 1 20 . 1 1 54 54 PHE N N 54 127.065 127.065 118.023 9.042 18912 3439 1 20 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.630 -0.502 18912 3440 1 20 . 1 1 54 54 PHE H H 54 9.314 9.314 7.896 1.419 18912 3441 1 20 . 1 1 55 55 CYS N N 55 121.901 121.901 121.388 0.513 18912 3442 1 20 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.279 -0.158 18912 3443 1 20 . 1 1 55 55 CYS H H 55 9.375 9.375 9.062 0.313 18912 3444 1 20 . 1 1 56 56 ASP N N 56 127.032 127.032 124.202 2.830 18912 3445 1 20 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.144 -0.359 18912 3446 1 20 . 1 1 56 56 ASP H H 56 9.135 9.135 8.849 0.286 18912 3447 1 20 . 1 1 57 57 MET N N 57 113.781 113.781 117.800 -4.019 18912 3448 1 20 . 1 1 57 57 MET HA H 57 4.405 4.405 4.501 -0.096 18912 3449 1 20 . 1 1 57 57 MET H H 57 8.246 8.246 8.645 -0.399 18912 3450 1 20 . 1 1 58 58 ASN N N 58 118.453 118.453 115.866 2.587 18912 3451 1 20 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.488 0.163 18912 3452 1 20 . 1 1 58 58 ASN H H 58 8.678 8.678 7.804 0.874 18912 3453 1 20 . 1 1 59 59 GLY N N 59 107.488 107.488 108.414 -0.926 18912 3454 1 20 . 1 1 59 59 GLY H H 59 7.820 7.820 8.303 -0.483 18912 3455 1 20 . 1 1 60 60 LYS N N 60 123.743 123.743 118.654 5.089 18912 3456 1 20 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.771 -0.357 18912 3457 1 20 . 1 1 60 60 LYS H H 60 8.471 8.471 7.458 1.013 18912 3458 1 20 . 1 1 61 61 CYS N N 61 124.711 124.711 122.039 2.672 18912 3459 1 20 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.363 -0.764 18912 3460 1 20 . 1 1 61 61 CYS H H 61 8.613 8.613 8.735 -0.122 18912 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 55 3.253 -0.001 3.283 18912 2 1 1 "Average Difference" HA 64 0.367 0.042 0.368 18912 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18912 4 1 1 "Average Difference" CA 3 0.778 -0.606 0.598 18912 5 1 1 "Average Difference" CB 3 0.754 0.633 0.502 18912 6 1 1 "Average Difference" HN 56 0.559 -0.015 0.564 18912 7 1 2 "Average Difference" N 55 2.982 -0.284 2.996 18912 8 1 2 "Average Difference" HA 64 0.352 0.076 0.346 18912 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18912 10 1 2 "Average Difference" CA 3 0.478 0.200 0.532 18912 11 1 2 "Average Difference" CB 3 0.795 0.273 0.914 18912 12 1 2 "Average Difference" HN 56 0.543 0.039 0.547 18912 13 1 3 "Average Difference" N 55 3.279 -0.102 3.308 18912 14 1 3 "Average Difference" HA 64 0.388 0.075 0.383 18912 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18912 16 1 3 "Average Difference" CA 3 0.976 -0.404 1.088 18912 17 1 3 "Average Difference" CB 3 1.204 1.091 0.625 18912 18 1 3 "Average Difference" HN 56 0.566 0.023 0.571 18912 19 1 4 "Average Difference" N 55 3.338 0.337 3.352 18912 20 1 4 "Average Difference" HA 64 0.382 -0.006 0.385 18912 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18912 22 1 4 "Average Difference" CA 3 0.323 0.026 0.394 18912 23 1 4 "Average Difference" CB 3 0.635 0.322 0.670 18912 24 1 4 "Average Difference" HN 56 0.559 -0.009 0.564 18912 25 1 5 "Average Difference" N 55 3.333 -0.005 3.363 18912 26 1 5 "Average Difference" HA 64 0.333 0.064 0.329 18912 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18912 28 1 5 "Average Difference" CA 3 1.109 -0.565 1.169 18912 29 1 5 "Average Difference" CB 3 0.566 0.463 0.400 18912 30 1 5 "Average Difference" HN 56 0.570 0.001 0.575 18912 31 1 6 "Average Difference" N 55 2.869 -0.002 2.895 18912 32 1 6 "Average Difference" HA 64 0.363 0.045 0.363 18912 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18912 34 1 6 "Average Difference" CA 3 1.756 -0.862 1.874 18912 35 1 6 "Average Difference" CB 3 0.672 0.647 0.222 18912 36 1 6 "Average Difference" HN 56 0.553 0.058 0.555 18912 37 1 7 "Average Difference" N 55 3.238 -0.212 3.261 18912 38 1 7 "Average Difference" HA 64 0.405 0.087 0.399 18912 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18912 40 1 7 "Average Difference" CA 3 0.618 -0.424 0.550 18912 41 1 7 "Average Difference" CB 3 0.685 0.486 0.592 18912 42 1 7 "Average Difference" HN 56 0.572 0.072 0.572 18912 43 1 8 "Average Difference" N 55 3.255 -0.035 3.285 18912 44 1 8 "Average Difference" HA 64 0.369 0.056 0.368 18912 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18912 46 1 8 "Average Difference" CA 3 0.416 -0.029 0.508 18912 47 1 8 "Average Difference" CB 3 0.667 0.458 0.594 18912 48 1 8 "Average Difference" HN 56 0.570 -0.039 0.574 18912 49 1 9 "Average Difference" N 55 3.182 -0.089 3.210 18912 50 1 9 "Average Difference" HA 64 0.354 0.080 0.348 18912 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18912 52 1 9 "Average Difference" CA 3 0.722 0.446 0.696 18912 53 1 9 "Average Difference" CB 3 0.511 -0.085 0.618 18912 54 1 9 "Average Difference" HN 56 0.617 -0.032 0.622 18912 55 1 10 "Average Difference" N 55 3.216 -0.124 3.244 18912 56 1 10 "Average Difference" HA 64 0.364 0.062 0.362 18912 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18912 58 1 10 "Average Difference" CA 3 0.264 0.024 0.322 18912 59 1 10 "Average Difference" CB 3 0.542 0.283 0.566 18912 60 1 10 "Average Difference" HN 56 0.535 -0.021 0.539 18912 61 1 11 "Average Difference" N 55 3.085 0.183 3.108 18912 62 1 11 "Average Difference" HA 64 0.370 0.039 0.370 18912 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18912 64 1 11 "Average Difference" CA 3 1.003 0.366 1.144 18912 65 1 11 "Average Difference" CB 3 0.460 0.324 0.400 18912 66 1 11 "Average Difference" HN 56 0.533 0.008 0.538 18912 67 1 12 "Average Difference" N 55 3.247 -0.218 3.269 18912 68 1 12 "Average Difference" HA 64 0.396 0.076 0.391 18912 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18912 70 1 12 "Average Difference" CA 3 1.089 -0.476 1.200 18912 71 1 12 "Average Difference" CB 3 0.842 0.814 0.262 18912 72 1 12 "Average Difference" HN 56 0.577 -0.008 0.582 18912 73 1 13 "Average Difference" N 55 3.281 -0.341 3.294 18912 74 1 13 "Average Difference" HA 64 0.384 0.070 0.380 18912 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18912 76 1 13 "Average Difference" CA 3 0.541 -0.140 0.641 18912 77 1 13 "Average Difference" CB 3 0.734 0.648 0.421 18912 78 1 13 "Average Difference" HN 56 0.546 0.031 0.550 18912 79 1 14 "Average Difference" N 55 3.320 -0.105 3.349 18912 80 1 14 "Average Difference" HA 64 0.376 0.077 0.371 18912 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18912 82 1 14 "Average Difference" CA 3 0.421 0.148 0.483 18912 83 1 14 "Average Difference" CB 3 0.560 0.312 0.570 18912 84 1 14 "Average Difference" HN 56 0.562 0.048 0.565 18912 85 1 15 "Average Difference" N 55 3.306 -0.082 3.336 18912 86 1 15 "Average Difference" HA 64 0.357 0.062 0.354 18912 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18912 88 1 15 "Average Difference" CA 3 0.438 0.002 0.536 18912 89 1 15 "Average Difference" CB 3 0.543 0.333 0.525 18912 90 1 15 "Average Difference" HN 56 0.568 -0.042 0.572 18912 91 1 16 "Average Difference" N 55 2.945 -0.146 2.968 18912 92 1 16 "Average Difference" HA 64 0.391 0.068 0.388 18912 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18912 94 1 16 "Average Difference" CA 3 0.659 -0.611 0.302 18912 95 1 16 "Average Difference" CB 3 0.432 0.405 0.184 18912 96 1 16 "Average Difference" HN 56 0.536 0.021 0.540 18912 97 1 17 "Average Difference" N 55 3.129 -0.165 3.154 18912 98 1 17 "Average Difference" HA 64 0.377 0.076 0.372 18912 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18912 100 1 17 "Average Difference" CA 3 0.417 -0.231 0.425 18912 101 1 17 "Average Difference" CB 3 0.708 0.557 0.536 18912 102 1 17 "Average Difference" HN 56 0.574 0.049 0.577 18912 103 1 18 "Average Difference" N 55 3.195 -0.060 3.224 18912 104 1 18 "Average Difference" HA 64 0.398 0.079 0.393 18912 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18912 106 1 18 "Average Difference" CA 3 0.354 0.072 0.424 18912 107 1 18 "Average Difference" CB 3 0.686 0.481 0.600 18912 108 1 18 "Average Difference" HN 56 0.623 0.020 0.628 18912 109 1 19 "Average Difference" N 55 3.139 -0.755 3.075 18912 110 1 19 "Average Difference" HA 64 0.387 0.091 0.380 18912 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18912 112 1 19 "Average Difference" CA 3 0.647 -0.181 0.761 18912 113 1 19 "Average Difference" CB 3 0.792 0.735 0.361 18912 114 1 19 "Average Difference" HN 56 0.569 0.043 0.573 18912 115 1 20 "Average Difference" N 55 3.393 -0.292 3.411 18912 116 1 20 "Average Difference" HA 64 0.380 0.095 0.371 18912 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18912 118 1 20 "Average Difference" CA 3 0.511 0.043 0.624 18912 119 1 20 "Average Difference" CB 3 0.688 0.639 0.313 18912 120 1 20 "Average Difference" HN 56 0.608 0.064 0.610 18912 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 18912 _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 CYS N N 2 116.766 116.766 119.594 -2.828 18912 2 1 . 1 1 2 2 CYS HA H 2 3.571 3.571 4.344 -0.773 18912 3 1 . 1 1 2 2 CYS H H 2 8.485 8.485 8.271 0.214 18912 4 1 . 1 1 3 3 GLU N N 3 124.348 124.348 122.312 2.036 18912 5 1 . 1 1 3 3 GLU HA H 3 3.963 3.963 4.169 -0.206 18912 6 1 . 1 1 3 3 GLU H H 3 9.345 9.345 8.433 0.912 18912 7 1 . 1 1 4 4 ARG N N 4 119.167 119.167 119.301 -0.134 18912 8 1 . 1 1 4 4 ARG HA H 4 3.959 3.959 4.198 -0.239 18912 9 1 . 1 1 4 4 ARG H H 4 8.390 8.390 8.257 0.133 18912 10 1 . 1 1 5 5 GLU N N 5 114.022 114.022 118.081 -4.059 18912 11 1 . 1 1 5 5 GLU HA H 5 4.231 4.231 4.129 0.102 18912 12 1 . 1 1 5 5 GLU H H 5 8.309 8.309 8.266 0.043 18912 13 1 . 1 1 6 6 GLN N N 6 113.489 113.489 115.235 -1.746 18912 14 1 . 1 1 6 6 GLN HA H 6 4.545 4.545 4.488 0.057 18912 15 1 . 1 1 6 6 GLN H H 6 7.210 7.210 7.912 -0.702 18912 16 1 . 1 1 7 7 GLN N N 7 114.953 114.953 114.002 0.951 18912 17 1 . 1 1 7 7 GLN HA H 7 4.090 4.090 4.117 -0.027 18912 18 1 . 1 1 7 7 GLN H H 7 7.454 7.454 7.959 -0.505 18912 19 1 . 1 1 8 8 LEU N N 8 118.695 118.695 118.541 0.154 18912 20 1 . 1 1 8 8 LEU HA H 8 4.713 4.713 4.511 0.202 18912 21 1 . 1 1 8 8 LEU H H 8 7.414 7.414 7.592 -0.178 18912 22 1 . 1 1 9 9 GLU HA H 9 4.308 4.308 4.391 -0.083 18912 23 1 . 1 1 9 9 GLU CA C 9 55.627 55.627 55.008 0.619 18912 24 1 . 1 1 9 9 GLU CB C 9 31.778 31.778 31.889 -0.111 18912 25 1 . 1 1 9 9 GLU H H 9 8.250 8.250 8.537 -0.287 18912 26 1 . 1 1 10 10 SER N N 10 120.943 120.943 117.641 3.302 18912 27 1 . 1 1 10 10 SER HA H 10 5.063 5.063 4.807 0.256 18912 28 1 . 1 1 10 10 SER H H 10 8.886 8.886 8.330 0.556 18912 29 1 . 1 1 11 11 CYS N N 11 118.295 118.295 118.465 -0.170 18912 30 1 . 1 1 11 11 CYS HA H 11 4.843 4.843 4.876 -0.033 18912 31 1 . 1 1 11 11 CYS H H 11 8.094 8.094 8.491 -0.397 18912 32 1 . 1 1 12 12 ALA N N 12 123.087 123.087 121.768 1.319 18912 33 1 . 1 1 12 12 ALA HA H 12 4.794 4.794 4.685 0.109 18912 34 1 . 1 1 12 12 ALA H H 12 8.419 8.419 8.286 0.133 18912 35 1 . 1 1 13 13 CYS N N 13 123.511 123.511 123.309 0.202 18912 36 1 . 1 1 13 13 CYS HA H 13 4.203 4.203 4.408 -0.205 18912 37 1 . 1 1 13 13 CYS H H 13 9.174 9.174 8.427 0.747 18912 38 1 . 1 1 14 14 ASN N N 14 118.292 118.292 120.976 -2.684 18912 39 1 . 1 1 14 14 ASN HA H 14 4.513 4.513 4.413 0.100 18912 40 1 . 1 1 14 14 ASN H H 14 8.290 8.290 8.680 -0.390 18912 41 1 . 1 1 15 15 GLU N N 15 119.065 119.065 118.332 0.733 18912 42 1 . 1 1 15 15 GLU HA H 15 4.472 4.472 4.303 0.169 18912 43 1 . 1 1 15 15 GLU H H 15 8.197 8.197 7.988 0.209 18912 44 1 . 1 1 16 16 THR HA H 16 3.823 3.823 4.000 -0.177 18912 45 1 . 1 1 16 16 THR CA C 16 67.200 67.200 66.811 0.389 18912 46 1 . 1 1 16 16 THR CB C 16 68.382 68.382 68.828 -0.446 18912 47 1 . 1 1 17 17 ASP HA H 17 4.482 4.482 4.554 -0.072 18912 48 1 . 1 1 17 17 ASP CA C 17 56.483 56.483 57.010 -0.527 18912 49 1 . 1 1 17 17 ASP CB C 17 40.004 40.004 40.920 -0.916 18912 50 1 . 1 1 18 18 ASN N N 18 114.925 114.925 117.249 -2.324 18912 51 1 . 1 1 18 18 ASN HA H 18 4.974 4.974 4.635 0.339 18912 52 1 . 1 1 18 18 ASN H H 18 7.606 7.606 8.857 -1.251 18912 53 1 . 1 1 19 19 SER N N 19 115.866 115.866 115.652 0.214 18912 54 1 . 1 1 19 19 SER HA H 19 4.209 4.209 4.446 -0.237 18912 55 1 . 1 1 19 19 SER H H 19 7.702 7.702 7.873 -0.171 18912 56 1 . 1 1 20 20 CYS N N 20 118.266 118.266 119.919 -1.653 18912 57 1 . 1 1 20 20 CYS HA H 20 4.978 4.978 4.650 0.328 18912 58 1 . 1 1 20 20 CYS H H 20 8.811 8.811 7.693 1.118 18912 59 1 . 1 1 21 21 LYS N N 21 120.561 120.561 120.001 0.560 18912 60 1 . 1 1 21 21 LYS HA H 21 5.112 5.112 4.901 0.211 18912 61 1 . 1 1 21 21 LYS H H 21 7.715 7.715 7.581 0.134 18912 62 1 . 1 1 22 22 VAL N N 22 119.640 119.640 123.292 -3.652 18912 63 1 . 1 1 22 22 VAL HA H 22 3.755 3.755 4.020 -0.265 18912 64 1 . 1 1 22 22 VAL H H 22 8.422 8.422 8.243 0.179 18912 65 1 . 1 1 23 23 CYS N N 23 129.569 129.569 126.007 3.562 18912 66 1 . 1 1 23 23 CYS HA H 23 5.401 5.401 5.196 0.205 18912 67 1 . 1 1 23 23 CYS H H 23 9.030 9.030 8.414 0.616 18912 68 1 . 1 1 24 24 CYS N N 24 116.307 116.307 120.484 -4.177 18912 69 1 . 1 1 24 24 CYS HA H 24 5.390 5.390 5.378 0.012 18912 70 1 . 1 1 24 24 CYS H H 24 8.746 8.746 9.391 -0.645 18912 71 1 . 1 1 25 25 ARG N N 25 125.239 125.239 121.523 3.716 18912 72 1 . 1 1 25 25 ARG HA H 25 4.933 4.933 5.453 -0.520 18912 73 1 . 1 1 25 25 ARG H H 25 9.219 9.219 8.770 0.449 18912 74 1 . 1 1 26 26 ASP N N 26 125.707 125.707 124.525 1.182 18912 75 1 . 1 1 26 26 ASP HA H 26 4.691 4.691 4.800 -0.109 18912 76 1 . 1 1 26 26 ASP H H 26 8.825 8.825 8.427 0.398 18912 77 1 . 1 1 27 27 LEU N N 27 117.682 117.682 117.540 0.142 18912 78 1 . 1 1 27 27 LEU HA H 27 4.163 4.163 4.223 -0.060 18912 79 1 . 1 1 27 27 LEU H H 27 8.238 8.238 8.407 -0.169 18912 80 1 . 1 1 28 28 SER N N 28 115.328 115.328 113.234 2.094 18912 81 1 . 1 1 28 28 SER HA H 28 4.550 4.550 4.442 0.108 18912 82 1 . 1 1 28 28 SER H H 28 8.413 8.413 8.633 -0.220 18912 83 1 . 1 1 29 29 GLY N N 29 110.481 110.481 109.535 0.946 18912 84 1 . 1 1 29 29 GLY H H 29 8.296 8.296 7.690 0.606 18912 85 1 . 1 1 30 30 ARG N N 30 123.895 123.895 119.202 4.693 18912 86 1 . 1 1 30 30 ARG HA H 30 4.268 4.268 4.632 -0.364 18912 87 1 . 1 1 30 30 ARG H H 30 8.180 8.180 8.865 -0.685 18912 88 1 . 1 1 31 31 CYS N N 31 124.749 124.749 121.066 3.683 18912 89 1 . 1 1 31 31 CYS HA H 31 4.838 4.838 5.262 -0.424 18912 90 1 . 1 1 31 31 CYS H H 31 9.030 9.030 8.623 0.408 18912 91 1 . 1 1 32 32 VAL N N 32 125.179 125.179 123.873 1.306 18912 92 1 . 1 1 32 32 VAL HA H 32 5.056 5.056 4.770 0.286 18912 93 1 . 1 1 32 32 VAL H H 32 8.634 8.634 9.154 -0.520 18912 94 1 . 1 1 33 33 PRO HA H 33 5.105 5.105 4.602 0.503 18912 95 1 . 1 1 34 34 TYR N N 34 125.935 125.935 127.191 -1.256 18912 96 1 . 1 1 34 34 TYR HA H 34 4.419 4.419 4.380 0.039 18912 97 1 . 1 1 34 34 TYR H H 34 8.900 8.900 9.227 -0.327 18912 98 1 . 1 1 35 35 VAL N N 35 128.155 128.155 125.668 2.487 18912 99 1 . 1 1 35 35 VAL HA H 35 4.179 4.179 4.836 -0.657 18912 100 1 . 1 1 35 35 VAL H H 35 7.347 7.347 7.933 -0.586 18912 101 1 . 1 1 36 36 ASP N N 36 125.146 125.146 123.996 1.150 18912 102 1 . 1 1 36 36 ASP HA H 36 4.355 4.355 4.860 -0.505 18912 103 1 . 1 1 36 36 ASP H H 36 8.367 8.367 8.033 0.334 18912 104 1 . 1 1 37 37 ALA N N 37 119.166 119.166 122.589 -3.423 18912 105 1 . 1 1 37 37 ALA HA H 37 4.127 4.127 4.141 -0.014 18912 106 1 . 1 1 37 37 ALA H H 37 8.215 8.215 8.674 -0.459 18912 107 1 . 1 1 38 38 GLU N N 38 117.714 117.714 117.019 0.695 18912 108 1 . 1 1 38 38 GLU HA H 38 4.377 4.377 4.315 0.062 18912 109 1 . 1 1 38 38 GLU H H 38 8.253 8.253 8.115 0.138 18912 110 1 . 1 1 39 39 GLN N N 39 112.433 112.433 114.188 -1.755 18912 111 1 . 1 1 39 39 GLN HA H 39 3.574 3.574 3.923 -0.349 18912 112 1 . 1 1 39 39 GLN H H 39 8.145 8.145 8.161 -0.016 18912 113 1 . 1 1 40 40 LYS N N 40 120.092 120.092 118.822 1.270 18912 114 1 . 1 1 40 40 LYS HA H 40 4.502 4.502 4.307 0.195 18912 115 1 . 1 1 40 40 LYS H H 40 8.436 8.436 7.960 0.476 18912 116 1 . 1 1 41 41 ASN N N 41 115.767 115.767 120.149 -4.382 18912 117 1 . 1 1 41 41 ASN HA H 41 4.925 4.925 5.223 -0.298 18912 118 1 . 1 1 41 41 ASN H H 41 8.151 8.151 8.416 -0.265 18912 119 1 . 1 1 42 42 LEU N N 42 121.155 121.155 120.217 0.938 18912 120 1 . 1 1 42 42 LEU HA H 42 4.320 4.320 4.652 -0.332 18912 121 1 . 1 1 42 42 LEU H H 42 9.130 9.130 8.496 0.634 18912 122 1 . 1 1 43 43 PHE N N 43 120.509 120.509 121.381 -0.872 18912 123 1 . 1 1 43 43 PHE HA H 43 5.465 5.465 4.885 0.580 18912 124 1 . 1 1 43 43 PHE H H 43 8.406 8.406 8.443 -0.037 18912 125 1 . 1 1 44 44 LEU N N 44 120.978 120.978 124.313 -3.335 18912 126 1 . 1 1 44 44 LEU HA H 44 4.278 4.278 4.217 0.061 18912 127 1 . 1 1 44 44 LEU H H 44 8.427 8.427 8.680 -0.253 18912 128 1 . 1 1 45 45 ARG N N 45 120.074 120.074 119.200 0.874 18912 129 1 . 1 1 45 45 ARG HA H 45 4.044 4.044 4.346 -0.302 18912 130 1 . 1 1 45 45 ARG H H 45 8.291 8.291 8.298 -0.007 18912 131 1 . 1 1 46 46 LYS N N 46 121.707 121.707 119.661 2.046 18912 132 1 . 1 1 46 46 LYS HA H 46 3.808 3.808 4.458 -0.650 18912 133 1 . 1 1 46 46 LYS H H 46 8.110 8.110 8.276 -0.166 18912 134 1 . 1 1 47 47 GLY N N 47 114.992 114.992 112.538 2.454 18912 135 1 . 1 1 47 47 GLY H H 47 9.514 9.514 9.188 0.327 18912 136 1 . 1 1 48 48 LYS N N 48 122.565 122.565 121.107 1.458 18912 137 1 . 1 1 48 48 LYS HA H 48 4.584 4.584 4.860 -0.276 18912 138 1 . 1 1 48 48 LYS H H 48 7.855 7.855 7.657 0.198 18912 139 1 . 1 1 49 49 PRO HA H 49 4.509 4.509 4.467 0.041 18912 140 1 . 1 1 50 50 CYS N N 50 118.602 118.602 123.156 -4.554 18912 141 1 . 1 1 50 50 CYS HA H 50 4.939 4.939 4.784 0.156 18912 142 1 . 1 1 50 50 CYS H H 50 8.274 8.274 8.605 -0.331 18912 143 1 . 1 1 51 51 THR N N 51 112.483 112.483 115.488 -3.005 18912 144 1 . 1 1 51 51 THR HA H 51 3.798 3.798 4.033 -0.235 18912 145 1 . 1 1 51 51 THR H H 51 7.498 7.498 8.367 -0.869 18912 146 1 . 1 1 52 52 VAL N N 52 108.404 108.404 116.951 -8.547 18912 147 1 . 1 1 52 52 VAL HA H 52 4.603 4.603 4.253 0.350 18912 148 1 . 1 1 52 52 VAL H H 52 6.672 6.672 7.861 -1.189 18912 149 1 . 1 1 53 53 GLY N N 53 109.222 109.222 107.580 1.642 18912 150 1 . 1 1 53 53 GLY H H 53 6.481 6.481 7.351 -0.870 18912 151 1 . 1 1 54 54 PHE N N 54 127.065 127.065 118.988 8.077 18912 152 1 . 1 1 54 54 PHE HA H 54 5.128 5.128 5.450 -0.322 18912 153 1 . 1 1 54 54 PHE H H 54 9.314 9.314 8.645 0.669 18912 154 1 . 1 1 55 55 CYS N N 55 121.901 121.901 121.283 0.618 18912 155 1 . 1 1 55 55 CYS HA H 55 5.121 5.121 5.341 -0.220 18912 156 1 . 1 1 55 55 CYS H H 55 9.375 9.375 9.040 0.335 18912 157 1 . 1 1 56 56 ASP N N 56 127.032 127.032 125.368 1.664 18912 158 1 . 1 1 56 56 ASP HA H 56 4.785 4.785 5.054 -0.269 18912 159 1 . 1 1 56 56 ASP H H 56 9.135 9.135 8.950 0.185 18912 160 1 . 1 1 57 57 MET N N 57 113.781 113.781 119.354 -5.573 18912 161 1 . 1 1 57 57 MET HA H 57 4.405 4.405 4.416 -0.011 18912 162 1 . 1 1 57 57 MET H H 57 8.246 8.246 8.523 -0.277 18912 163 1 . 1 1 58 58 ASN N N 58 118.453 118.453 116.148 2.305 18912 164 1 . 1 1 58 58 ASN HA H 58 4.651 4.651 4.496 0.155 18912 165 1 . 1 1 58 58 ASN H H 58 8.678 8.678 8.157 0.521 18912 166 1 . 1 1 59 59 GLY N N 59 107.488 107.488 107.624 -0.136 18912 167 1 . 1 1 59 59 GLY H H 59 7.820 7.820 8.196 -0.376 18912 168 1 . 1 1 60 60 LYS N N 60 123.743 123.743 118.513 5.230 18912 169 1 . 1 1 60 60 LYS HA H 60 4.414 4.414 4.825 -0.411 18912 170 1 . 1 1 60 60 LYS H H 60 8.471 8.471 7.675 0.796 18912 171 1 . 1 1 61 61 CYS N N 61 124.711 124.711 121.278 3.433 18912 172 1 . 1 1 61 61 CYS HA H 61 4.599 4.599 5.485 -0.886 18912 173 1 . 1 1 61 61 CYS H H 61 8.613 8.613 8.810 -0.197 18912 stop_ save_