data_17995 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17995 _Entry.PDB_ID 2LKI 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 17995 _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 24 24 GLN N N 2 121.730 121.730 119.469 2.261 17995 2 1 1 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.453 -0.491 17995 3 1 1 . 1 1 24 24 GLN C C 2 177.291 177.291 177.843 -0.552 17995 4 1 1 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.596 0.795 17995 5 1 1 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.380 -0.670 17995 6 1 1 . 1 1 24 24 GLN H H 2 8.511 8.511 9.028 -0.517 17995 7 1 1 . 1 1 25 25 HIS N N 3 116.878 116.878 119.686 -2.808 17995 8 1 1 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.684 0.419 17995 9 1 1 . 1 1 25 25 HIS C C 3 175.501 175.501 177.409 -1.908 17995 10 1 1 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.012 -0.665 17995 11 1 1 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.767 0.860 17995 12 1 1 . 1 1 25 25 HIS H H 3 8.216 8.216 8.140 0.076 17995 13 1 1 . 1 1 26 26 LEU N N 4 121.540 121.540 119.581 1.959 17995 14 1 1 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.135 -0.442 17995 15 1 1 . 1 1 26 26 LEU C C 4 177.649 177.649 178.396 -0.747 17995 16 1 1 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.100 1.603 17995 17 1 1 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.211 1.124 17995 18 1 1 . 1 1 26 26 LEU H H 4 7.447 7.447 7.972 -0.525 17995 19 1 1 . 1 1 27 27 GLU N N 5 118.441 118.441 120.127 -1.686 17995 20 1 1 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.976 -0.085 17995 21 1 1 . 1 1 27 27 GLU C C 5 178.162 178.162 178.276 -0.114 17995 22 1 1 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.246 0.376 17995 23 1 1 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.177 -0.100 17995 24 1 1 . 1 1 27 27 GLU H H 5 8.561 8.561 7.832 0.729 17995 25 1 1 . 1 1 28 28 ALA N N 6 122.005 122.005 121.339 0.666 17995 26 1 1 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.185 -0.053 17995 27 1 1 . 1 1 28 28 ALA C C 6 180.421 180.421 180.070 0.351 17995 28 1 1 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.724 0.555 17995 29 1 1 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.184 0.582 17995 30 1 1 . 1 1 28 28 ALA H H 6 8.205 8.205 7.634 0.571 17995 31 1 1 . 1 1 29 29 VAL N N 7 116.985 116.985 119.777 -2.792 17995 32 1 1 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.641 -0.132 17995 33 1 1 . 1 1 29 29 VAL C C 7 177.034 177.034 177.529 -0.495 17995 34 1 1 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.009 0.354 17995 35 1 1 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.710 -0.271 17995 36 1 1 . 1 1 29 29 VAL H H 7 8.392 8.392 8.100 0.292 17995 37 1 1 . 1 1 30 30 ARG N N 8 121.674 121.674 119.052 2.622 17995 38 1 1 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.052 -0.388 17995 39 1 1 . 1 1 30 30 ARG C C 8 177.810 177.810 178.457 -0.647 17995 40 1 1 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.285 1.240 17995 41 1 1 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.487 1.179 17995 42 1 1 . 1 1 30 30 ARG H H 8 8.784 8.784 8.225 0.559 17995 43 1 1 . 1 1 31 31 ASN N N 9 118.102 118.102 118.568 -0.466 17995 44 1 1 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.513 -0.229 17995 45 1 1 . 1 1 31 31 ASN C C 9 177.890 177.890 177.243 0.647 17995 46 1 1 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.000 0.254 17995 47 1 1 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.209 -0.620 17995 48 1 1 . 1 1 31 31 ASN H H 9 8.144 8.144 7.992 0.152 17995 49 1 1 . 1 1 32 32 ILE N N 10 123.614 123.614 120.515 3.099 17995 50 1 1 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.491 0.301 17995 51 1 1 . 1 1 32 32 ILE C C 10 177.810 177.810 177.786 0.024 17995 52 1 1 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.329 -0.071 17995 53 1 1 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.940 0.794 17995 54 1 1 . 1 1 32 32 ILE H H 10 8.137 8.137 7.768 0.369 17995 55 1 1 . 1 1 33 33 LEU N N 11 119.797 119.797 119.789 0.008 17995 56 1 1 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.083 -0.297 17995 57 1 1 . 1 1 33 33 LEU C C 11 179.039 179.039 179.433 -0.394 17995 58 1 1 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.467 0.243 17995 59 1 1 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.184 0.891 17995 60 1 1 . 1 1 33 33 LEU H H 11 8.637 8.637 8.361 0.276 17995 61 1 1 . 1 1 34 34 GLY N N 12 103.682 103.682 106.037 -2.355 17995 62 1 1 . 1 1 34 34 GLY C C 12 175.242 175.242 175.496 -0.254 17995 63 1 1 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.105 0.613 17995 64 1 1 . 1 1 34 34 GLY H H 12 8.513 8.513 8.349 0.164 17995 65 1 1 . 1 1 35 35 ASP N N 13 122.235 122.235 121.559 0.676 17995 66 1 1 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.627 -0.042 17995 67 1 1 . 1 1 35 35 ASP C C 13 179.013 179.013 178.070 0.943 17995 68 1 1 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.292 0.624 17995 69 1 1 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.408 -0.362 17995 70 1 1 . 1 1 35 35 ASP H H 13 7.968 7.968 7.650 0.318 17995 71 1 1 . 1 1 36 36 VAL N N 14 120.841 120.841 119.053 1.788 17995 72 1 1 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.737 -0.060 17995 73 1 1 . 1 1 36 36 VAL C C 14 177.797 177.797 177.920 -0.123 17995 74 1 1 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.939 0.065 17995 75 1 1 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.195 0.037 17995 76 1 1 . 1 1 36 36 VAL H H 14 8.765 8.765 8.095 0.670 17995 77 1 1 . 1 1 37 37 LEU N N 15 114.630 114.630 114.985 -0.355 17995 78 1 1 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.285 -0.004 17995 79 1 1 . 1 1 37 37 LEU C C 15 175.483 175.483 176.496 -1.013 17995 80 1 1 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.994 -0.824 17995 81 1 1 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.334 -1.640 17995 82 1 1 . 1 1 37 37 LEU H H 15 7.942 7.942 7.849 0.093 17995 83 1 1 . 1 1 38 38 ASN N N 16 116.887 116.887 116.590 0.297 17995 84 1 1 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.603 -0.069 17995 85 1 1 . 1 1 38 38 ASN C C 16 175.668 175.668 174.887 0.781 17995 86 1 1 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.849 0.071 17995 87 1 1 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.775 -0.917 17995 88 1 1 . 1 1 38 38 ASN H H 16 7.561 7.561 7.710 -0.149 17995 89 1 1 . 1 1 39 39 LEU N N 17 114.676 114.676 118.696 -4.020 17995 90 1 1 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.399 -0.329 17995 91 1 1 . 1 1 39 39 LEU C C 17 178.415 178.415 178.173 0.242 17995 92 1 1 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.027 0.717 17995 93 1 1 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.577 1.699 17995 94 1 1 . 1 1 39 39 LEU H H 17 8.233 8.233 7.591 0.642 17995 95 1 1 . 1 1 40 40 GLY N N 18 109.665 109.665 108.553 1.112 17995 96 1 1 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.926 -0.621 17995 97 1 1 . 1 1 40 40 GLY H H 18 8.678 8.678 8.191 0.487 17995 98 1 1 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.460 -0.332 17995 99 1 1 . 1 1 41 41 GLU C C 19 178.328 178.328 178.497 -0.169 17995 100 1 1 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.592 1.672 17995 101 1 1 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.036 -0.956 17995 102 1 1 . 1 1 42 42 ARG N N 20 118.936 118.936 120.456 -1.520 17995 103 1 1 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.118 0.057 17995 104 1 1 . 1 1 42 42 ARG C C 20 178.912 178.912 178.041 0.871 17995 105 1 1 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.684 -0.447 17995 106 1 1 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.059 -0.003 17995 107 1 1 . 1 1 42 42 ARG H H 20 7.979 7.979 7.871 0.108 17995 108 1 1 . 1 1 43 43 LYS N N 21 119.087 119.087 117.187 1.900 17995 109 1 1 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.142 -0.394 17995 110 1 1 . 1 1 43 43 LYS C C 21 176.559 176.559 178.236 -1.677 17995 111 1 1 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.958 0.140 17995 112 1 1 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.750 0.232 17995 113 1 1 . 1 1 43 43 LYS H H 21 7.719 7.719 8.276 -0.557 17995 114 1 1 . 1 1 44 44 HIS N N 22 115.571 115.571 116.821 -1.250 17995 115 1 1 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.674 -0.246 17995 116 1 1 . 1 1 44 44 HIS C C 22 176.288 176.288 175.414 0.874 17995 117 1 1 . 1 1 44 44 HIS CA C 22 57.784 57.784 56.996 0.788 17995 118 1 1 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.681 -0.211 17995 119 1 1 . 1 1 44 44 HIS H H 22 7.124 7.124 7.944 -0.820 17995 120 1 1 . 1 1 45 45 THR N N 23 107.890 107.890 114.514 -6.624 17995 121 1 1 . 1 1 45 45 THR HA H 23 4.355 4.355 4.184 0.171 17995 122 1 1 . 1 1 45 45 THR C C 23 174.650 174.650 174.188 0.462 17995 123 1 1 . 1 1 45 45 THR CA C 23 61.627 61.627 61.768 -0.141 17995 124 1 1 . 1 1 45 45 THR CB C 23 69.475 69.475 69.069 0.406 17995 125 1 1 . 1 1 45 45 THR H H 23 7.441 7.441 7.484 -0.043 17995 126 1 1 . 1 1 46 46 LEU N N 24 121.435 121.435 120.189 1.246 17995 127 1 1 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.847 -0.224 17995 128 1 1 . 1 1 46 46 LEU C C 24 176.537 176.537 175.660 0.877 17995 129 1 1 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.499 1.091 17995 130 1 1 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.665 -0.548 17995 131 1 1 . 1 1 46 46 LEU H H 24 7.059 7.059 7.191 -0.132 17995 132 1 1 . 1 1 47 47 THR N N 25 116.104 116.104 114.407 1.697 17995 133 1 1 . 1 1 47 47 THR HA H 25 4.605 4.605 4.561 0.044 17995 134 1 1 . 1 1 47 47 THR C C 25 175.526 175.526 175.455 0.071 17995 135 1 1 . 1 1 47 47 THR CA C 25 59.878 59.878 59.816 0.062 17995 136 1 1 . 1 1 47 47 THR CB C 25 71.752 71.752 71.501 0.251 17995 137 1 1 . 1 1 47 47 THR H H 25 9.432 9.432 7.903 1.529 17995 138 1 1 . 1 1 48 48 ALA N N 26 122.234 122.234 121.696 0.538 17995 139 1 1 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.170 -0.361 17995 140 1 1 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.236 0.357 17995 141 1 1 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.321 0.333 17995 142 1 1 . 1 1 48 48 ALA H H 26 9.142 9.142 8.386 0.756 17995 143 1 1 . 1 1 49 49 SER HA H 27 4.448 4.448 4.321 0.127 17995 144 1 1 . 1 1 49 49 SER C C 27 174.637 174.637 174.982 -0.345 17995 145 1 1 . 1 1 49 49 SER CA C 27 58.348 58.348 59.488 -1.140 17995 146 1 1 . 1 1 49 49 SER CB C 27 63.704 63.704 62.704 1.000 17995 147 1 1 . 1 1 50 50 SER N N 28 122.032 122.032 117.698 4.334 17995 148 1 1 . 1 1 50 50 SER HA H 28 4.269 4.269 4.484 -0.215 17995 149 1 1 . 1 1 50 50 SER C C 28 172.904 172.904 173.476 -0.572 17995 150 1 1 . 1 1 50 50 SER CA C 28 60.846 60.846 57.940 2.906 17995 151 1 1 . 1 1 50 50 SER CB C 28 63.063 63.063 63.777 -0.714 17995 152 1 1 . 1 1 50 50 SER H H 28 8.157 8.157 7.254 0.903 17995 153 1 1 . 1 1 51 51 VAL N N 29 127.079 127.079 124.466 2.613 17995 154 1 1 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.215 0.127 17995 155 1 1 . 1 1 51 51 VAL C C 29 176.612 176.612 175.592 1.020 17995 156 1 1 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.347 -0.899 17995 157 1 1 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.687 -0.462 17995 158 1 1 . 1 1 51 51 VAL H H 29 8.505 8.505 8.697 -0.192 17995 159 1 1 . 1 1 52 52 LEU N N 30 126.014 126.014 125.245 0.769 17995 160 1 1 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.601 0.194 17995 161 1 1 . 1 1 52 52 LEU C C 30 176.569 176.569 176.898 -0.329 17995 162 1 1 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.777 -1.245 17995 163 1 1 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.001 -1.996 17995 164 1 1 . 1 1 52 52 LEU H H 30 7.954 7.954 8.436 -0.482 17995 165 1 1 . 1 1 53 53 LEU N N 31 122.601 122.601 120.360 2.241 17995 166 1 1 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.002 0.084 17995 167 1 1 . 1 1 53 53 LEU C C 31 177.683 177.683 177.283 0.400 17995 168 1 1 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.781 0.593 17995 169 1 1 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.904 -0.084 17995 170 1 1 . 1 1 53 53 LEU H H 31 7.777 7.777 7.979 -0.202 17995 171 1 1 . 1 1 54 54 GLY N N 32 114.941 114.941 113.937 1.004 17995 172 1 1 . 1 1 54 54 GLY C C 32 173.612 173.612 174.170 -0.558 17995 173 1 1 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.583 -0.025 17995 174 1 1 . 1 1 54 54 GLY H H 32 9.121 9.121 8.776 0.345 17995 175 1 1 . 1 1 55 55 ASN N N 33 117.901 117.901 119.845 -1.944 17995 176 1 1 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.772 0.158 17995 177 1 1 . 1 1 55 55 ASN C C 33 174.458 174.458 175.922 -1.464 17995 178 1 1 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.331 -0.512 17995 179 1 1 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.319 2.228 17995 180 1 1 . 1 1 55 55 ASN H H 33 7.789 7.789 8.259 -0.470 17995 181 1 1 . 1 1 56 56 ILE N N 34 120.163 120.163 122.193 -2.030 17995 182 1 1 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.421 0.116 17995 183 1 1 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.140 -0.139 17995 184 1 1 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.263 1.830 17995 185 1 1 . 1 1 56 56 ILE H H 34 7.703 7.703 8.140 -0.437 17995 186 1 1 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.384 -0.211 17995 187 1 1 . 1 1 57 57 PRO C C 35 177.969 177.969 177.018 0.951 17995 188 1 1 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.662 0.615 17995 189 1 1 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.040 -0.106 17995 190 1 1 . 1 1 58 58 GLU N N 36 116.701 116.701 116.052 0.649 17995 191 1 1 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.379 -0.407 17995 192 1 1 . 1 1 58 58 GLU C C 36 176.612 176.612 175.555 1.057 17995 193 1 1 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.888 3.459 17995 194 1 1 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.242 0.590 17995 195 1 1 . 1 1 58 58 GLU H H 36 9.581 9.581 8.262 1.319 17995 196 1 1 . 1 1 59 59 LEU N N 37 121.189 121.189 123.969 -2.780 17995 197 1 1 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.275 0.037 17995 198 1 1 . 1 1 59 59 LEU C C 37 173.353 173.353 175.944 -2.591 17995 199 1 1 . 1 1 59 59 LEU CA C 37 53.278 53.278 55.211 -1.933 17995 200 1 1 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.452 0.547 17995 201 1 1 . 1 1 59 59 LEU H H 37 7.560 7.560 7.256 0.304 17995 202 1 1 . 1 1 60 60 ASP N N 38 126.468 126.468 124.838 1.630 17995 203 1 1 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.760 -0.045 17995 204 1 1 . 1 1 60 60 ASP C C 38 175.828 175.828 176.502 -0.674 17995 205 1 1 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.252 -1.332 17995 206 1 1 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.293 -2.737 17995 207 1 1 . 1 1 60 60 ASP H H 38 7.527 7.527 7.564 -0.037 17995 208 1 1 . 1 1 61 61 SER N N 39 113.128 113.128 115.492 -2.364 17995 209 1 1 . 1 1 61 61 SER HA H 39 4.019 4.019 4.247 -0.228 17995 210 1 1 . 1 1 61 61 SER C C 39 175.854 175.854 176.711 -0.857 17995 211 1 1 . 1 1 61 61 SER CA C 39 61.276 61.276 61.589 -0.313 17995 212 1 1 . 1 1 61 61 SER CB C 39 65.520 65.520 62.956 2.564 17995 213 1 1 . 1 1 61 61 SER H H 39 8.623 8.623 8.513 0.110 17995 214 1 1 . 1 1 62 62 MET N N 40 121.706 121.706 119.418 2.288 17995 215 1 1 . 1 1 62 62 MET HA H 40 4.303 4.303 4.332 -0.029 17995 216 1 1 . 1 1 62 62 MET C C 40 177.755 177.755 177.979 -0.224 17995 217 1 1 . 1 1 62 62 MET CA C 40 57.714 57.714 56.936 0.778 17995 218 1 1 . 1 1 62 62 MET CB C 40 32.386 32.386 31.719 0.667 17995 219 1 1 . 1 1 62 62 MET H H 40 7.802 7.802 8.647 -0.845 17995 220 1 1 . 1 1 63 63 ALA N N 41 124.277 124.277 122.240 2.037 17995 221 1 1 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.113 0.058 17995 222 1 1 . 1 1 63 63 ALA C C 41 179.893 179.893 179.392 0.501 17995 223 1 1 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.724 0.378 17995 224 1 1 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.144 1.512 17995 225 1 1 . 1 1 63 63 ALA H H 41 8.295 8.295 7.983 0.312 17995 226 1 1 . 1 1 64 64 VAL N N 42 118.186 118.186 115.095 3.091 17995 227 1 1 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.399 -0.406 17995 228 1 1 . 1 1 64 64 VAL C C 42 177.327 177.327 177.482 -0.155 17995 229 1 1 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.663 1.649 17995 230 1 1 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.203 -0.011 17995 231 1 1 . 1 1 64 64 VAL H H 42 8.019 8.019 8.006 0.013 17995 232 1 1 . 1 1 65 65 VAL N N 43 118.361 118.361 121.219 -2.858 17995 233 1 1 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.459 0.105 17995 234 1 1 . 1 1 65 65 VAL C C 43 178.520 178.520 177.931 0.589 17995 235 1 1 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.538 0.019 17995 236 1 1 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.075 0.425 17995 237 1 1 . 1 1 65 65 VAL H H 43 6.942 6.942 7.440 -0.498 17995 238 1 1 . 1 1 66 66 ASN N N 44 119.476 119.476 117.988 1.488 17995 239 1 1 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.507 0.055 17995 240 1 1 . 1 1 66 66 ASN C C 44 178.760 178.760 177.926 0.834 17995 241 1 1 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.174 -0.338 17995 242 1 1 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.566 -0.759 17995 243 1 1 . 1 1 66 66 ASN H H 44 7.789 7.789 7.880 -0.091 17995 244 1 1 . 1 1 67 67 VAL N N 45 124.029 124.029 116.444 7.585 17995 245 1 1 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.836 -0.218 17995 246 1 1 . 1 1 67 67 VAL C C 45 177.100 177.100 177.971 -0.871 17995 247 1 1 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.963 1.403 17995 248 1 1 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.645 -0.185 17995 249 1 1 . 1 1 67 67 VAL H H 45 9.055 9.055 7.604 1.451 17995 250 1 1 . 1 1 68 68 ILE N N 46 121.006 121.006 122.003 -0.997 17995 251 1 1 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.767 0.021 17995 252 1 1 . 1 1 68 68 ILE C C 46 177.871 177.871 178.075 -0.204 17995 253 1 1 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.784 -0.522 17995 254 1 1 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.590 -1.423 17995 255 1 1 . 1 1 68 68 ILE H H 46 8.509 8.509 7.860 0.649 17995 256 1 1 . 1 1 69 69 THR N N 47 116.096 116.096 116.346 -0.250 17995 257 1 1 . 1 1 69 69 THR HA H 47 4.391 4.391 3.883 0.508 17995 258 1 1 . 1 1 69 69 THR C C 47 176.365 176.365 176.345 0.020 17995 259 1 1 . 1 1 69 69 THR CA C 47 66.256 66.256 67.137 -0.881 17995 260 1 1 . 1 1 69 69 THR CB C 47 69.098 69.098 68.642 0.456 17995 261 1 1 . 1 1 69 69 THR H H 47 8.512 8.512 7.861 0.651 17995 262 1 1 . 1 1 70 70 ALA N N 48 123.948 123.948 124.547 -0.599 17995 263 1 1 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.246 0.057 17995 264 1 1 . 1 1 70 70 ALA C C 48 181.452 181.452 179.724 1.728 17995 265 1 1 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.430 -0.247 17995 266 1 1 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.286 1.136 17995 267 1 1 . 1 1 70 70 ALA H H 48 7.802 7.802 7.923 -0.121 17995 268 1 1 . 1 1 71 71 LEU N N 49 121.199 121.199 119.360 1.839 17995 269 1 1 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.267 -0.044 17995 270 1 1 . 1 1 71 71 LEU C C 49 178.192 178.192 179.824 -1.632 17995 271 1 1 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.240 0.321 17995 272 1 1 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.922 1.529 17995 273 1 1 . 1 1 71 71 LEU H H 49 8.802 8.802 8.249 0.553 17995 274 1 1 . 1 1 72 72 GLU N N 50 119.782 119.782 118.434 1.348 17995 275 1 1 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.172 -0.682 17995 276 1 1 . 1 1 72 72 GLU C C 50 180.303 180.303 179.899 0.404 17995 277 1 1 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.167 0.684 17995 278 1 1 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.922 2.186 17995 279 1 1 . 1 1 72 72 GLU H H 50 8.762 8.762 8.114 0.648 17995 280 1 1 . 1 1 73 73 GLU N N 51 116.902 116.902 119.929 -3.027 17995 281 1 1 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.074 -0.022 17995 282 1 1 . 1 1 73 73 GLU C C 51 178.334 178.334 179.380 -1.046 17995 283 1 1 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.976 -0.358 17995 284 1 1 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.376 0.706 17995 285 1 1 . 1 1 73 73 GLU H H 51 7.953 7.953 7.974 -0.021 17995 286 1 1 . 1 1 74 74 TYR N N 52 119.999 119.999 117.785 2.214 17995 287 1 1 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.272 -0.390 17995 288 1 1 . 1 1 74 74 TYR C C 52 177.384 177.384 178.146 -0.762 17995 289 1 1 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.107 0.493 17995 290 1 1 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.675 0.970 17995 291 1 1 . 1 1 74 74 TYR H H 52 8.078 8.078 8.095 -0.017 17995 292 1 1 . 1 1 75 75 PHE N N 53 113.650 113.650 114.987 -1.337 17995 293 1 1 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.443 -0.257 17995 294 1 1 . 1 1 75 75 PHE C C 53 174.485 174.485 175.555 -1.070 17995 295 1 1 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.863 0.381 17995 296 1 1 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.132 0.908 17995 297 1 1 . 1 1 75 75 PHE H H 53 8.244 8.244 8.199 0.045 17995 298 1 1 . 1 1 76 76 ASP N N 54 119.712 119.712 117.884 1.828 17995 299 1 1 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.465 -0.085 17995 300 1 1 . 1 1 76 76 ASP C C 54 174.118 174.118 175.395 -1.277 17995 301 1 1 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.715 -0.852 17995 302 1 1 . 1 1 76 76 ASP CB C 54 39.156 39.156 38.992 0.164 17995 303 1 1 . 1 1 76 76 ASP H H 54 7.596 7.596 8.221 -0.625 17995 304 1 1 . 1 1 77 77 PHE N N 55 113.804 113.804 115.591 -1.787 17995 305 1 1 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.949 0.126 17995 306 1 1 . 1 1 77 77 PHE C C 55 174.384 174.384 173.702 0.682 17995 307 1 1 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.705 -1.269 17995 308 1 1 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.087 -0.457 17995 309 1 1 . 1 1 77 77 PHE H H 55 7.725 7.725 8.101 -0.376 17995 310 1 1 . 1 1 78 78 SER N N 56 114.319 114.319 115.469 -1.150 17995 311 1 1 . 1 1 78 78 SER HA H 56 5.149 5.149 4.482 0.667 17995 312 1 1 . 1 1 78 78 SER C C 56 174.100 174.100 172.835 1.265 17995 313 1 1 . 1 1 78 78 SER CA C 56 56.800 56.800 55.875 0.925 17995 314 1 1 . 1 1 78 78 SER CB C 56 65.011 65.011 64.458 0.553 17995 315 1 1 . 1 1 78 78 SER H H 56 8.727 8.727 8.042 0.685 17995 316 1 1 . 1 1 79 79 VAL N N 57 128.316 128.316 127.249 1.067 17995 317 1 1 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.812 0.432 17995 318 1 1 . 1 1 79 79 VAL C C 57 175.637 175.637 175.743 -0.106 17995 319 1 1 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.569 -0.814 17995 320 1 1 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.091 0.782 17995 321 1 1 . 1 1 79 79 VAL H H 57 10.222 10.222 8.064 2.158 17995 322 1 1 . 1 1 80 80 ASP N N 58 130.058 130.058 126.353 3.705 17995 323 1 1 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.492 0.354 17995 324 1 1 . 1 1 80 80 ASP C C 58 177.205 177.205 177.246 -0.041 17995 325 1 1 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.634 -1.158 17995 326 1 1 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.006 -0.341 17995 327 1 1 . 1 1 80 80 ASP H H 58 9.396 9.396 8.149 1.247 17995 328 1 1 . 1 1 81 81 ASP N N 59 122.564 122.564 125.090 -2.526 17995 329 1 1 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.361 -0.081 17995 330 1 1 . 1 1 81 81 ASP C C 59 177.291 177.291 177.361 -0.070 17995 331 1 1 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.825 0.635 17995 332 1 1 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.051 -0.321 17995 333 1 1 . 1 1 81 81 ASP H H 59 8.696 8.696 8.782 -0.086 17995 334 1 1 . 1 1 82 82 ASP N N 60 115.817 115.817 118.308 -2.491 17995 335 1 1 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.552 0.007 17995 336 1 1 . 1 1 82 82 ASP C C 60 176.939 176.939 176.579 0.360 17995 337 1 1 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.749 -0.888 17995 338 1 1 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.913 -0.498 17995 339 1 1 . 1 1 82 82 ASP H H 60 8.460 8.460 8.134 0.326 17995 340 1 1 . 1 1 83 83 GLU N N 61 118.478 118.478 116.704 1.774 17995 341 1 1 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.368 -0.067 17995 342 1 1 . 1 1 83 83 GLU C C 61 175.841 175.841 176.349 -0.508 17995 343 1 1 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.025 1.279 17995 344 1 1 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.977 0.514 17995 345 1 1 . 1 1 83 83 GLU H H 61 7.903 7.903 7.632 0.271 17995 346 1 1 . 1 1 84 84 ILE N N 62 117.759 117.759 122.033 -4.274 17995 347 1 1 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.844 0.321 17995 348 1 1 . 1 1 84 84 ILE C C 62 174.069 174.069 175.193 -1.124 17995 349 1 1 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.076 -2.582 17995 350 1 1 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.299 1.836 17995 351 1 1 . 1 1 84 84 ILE H H 62 7.396 7.396 7.281 0.115 17995 352 1 1 . 1 1 85 85 SER N N 63 119.980 119.980 121.664 -1.684 17995 353 1 1 . 1 1 85 85 SER HA H 63 4.789 4.789 4.715 0.074 17995 354 1 1 . 1 1 85 85 SER CA C 63 56.772 56.772 55.966 0.806 17995 355 1 1 . 1 1 85 85 SER CB C 63 66.916 66.916 65.869 1.047 17995 356 1 1 . 1 1 85 85 SER H H 63 8.384 8.384 8.264 0.120 17995 357 1 1 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.325 -0.298 17995 358 1 1 . 1 1 86 86 ALA C C 64 180.211 180.211 179.942 0.269 17995 359 1 1 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.776 0.725 17995 360 1 1 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.768 -0.758 17995 361 1 1 . 1 1 87 87 GLN N N 65 116.123 116.123 116.194 -0.071 17995 362 1 1 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.180 -0.115 17995 363 1 1 . 1 1 87 87 GLN C C 65 178.564 178.564 178.179 0.385 17995 364 1 1 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.385 1.354 17995 365 1 1 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.933 0.510 17995 366 1 1 . 1 1 87 87 GLN H H 65 7.990 7.990 8.030 -0.040 17995 367 1 1 . 1 1 88 88 THR N N 66 119.153 119.153 116.295 2.858 17995 368 1 1 . 1 1 88 88 THR HA H 66 3.631 3.631 4.121 -0.490 17995 369 1 1 . 1 1 88 88 THR C C 66 174.748 174.748 174.504 0.244 17995 370 1 1 . 1 1 88 88 THR CA C 66 66.591 66.591 65.411 1.180 17995 371 1 1 . 1 1 88 88 THR CB C 66 68.702 68.702 68.774 -0.072 17995 372 1 1 . 1 1 88 88 THR H H 66 7.738 7.738 7.389 0.349 17995 373 1 1 . 1 1 89 89 PHE N N 67 115.088 115.088 116.452 -1.364 17995 374 1 1 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.733 -0.496 17995 375 1 1 . 1 1 89 89 PHE C C 67 173.600 173.600 176.431 -2.831 17995 376 1 1 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.567 -0.045 17995 377 1 1 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.452 1.254 17995 378 1 1 . 1 1 89 89 PHE H H 67 7.180 7.180 7.649 -0.469 17995 379 1 1 . 1 1 90 90 GLU N N 68 122.222 122.222 119.972 2.250 17995 380 1 1 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.107 0.060 17995 381 1 1 . 1 1 90 90 GLU C C 68 178.581 178.581 176.709 1.872 17995 382 1 1 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.730 0.997 17995 383 1 1 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.831 0.917 17995 384 1 1 . 1 1 90 90 GLU H H 68 7.421 7.421 7.847 -0.426 17995 385 1 1 . 1 1 91 91 THR N N 69 106.383 106.383 106.934 -0.551 17995 386 1 1 . 1 1 91 91 THR HA H 69 5.477 5.477 4.907 0.570 17995 387 1 1 . 1 1 91 91 THR C C 69 174.775 174.775 174.440 0.335 17995 388 1 1 . 1 1 91 91 THR CA C 69 58.798 58.798 59.042 -0.244 17995 389 1 1 . 1 1 91 91 THR CB C 69 74.841 74.841 72.946 1.895 17995 390 1 1 . 1 1 91 91 THR H H 69 8.534 8.534 7.218 1.316 17995 391 1 1 . 1 1 92 92 LEU N N 70 120.326 120.326 122.187 -1.861 17995 392 1 1 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.200 -0.057 17995 393 1 1 . 1 1 92 92 LEU C C 70 178.174 178.174 178.211 -0.037 17995 394 1 1 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.109 1.157 17995 395 1 1 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.065 -1.195 17995 396 1 1 . 1 1 92 92 LEU H H 70 7.991 7.991 8.543 -0.552 17995 397 1 1 . 1 1 93 93 GLY N N 71 106.588 106.588 105.243 1.345 17995 398 1 1 . 1 1 93 93 GLY C C 71 175.300 175.300 176.082 -0.782 17995 399 1 1 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.249 0.088 17995 400 1 1 . 1 1 93 93 GLY H H 71 9.019 9.019 8.497 0.522 17995 401 1 1 . 1 1 94 94 SER N N 72 120.200 120.200 118.430 1.770 17995 402 1 1 . 1 1 94 94 SER HA H 72 4.090 4.090 4.141 -0.051 17995 403 1 1 . 1 1 94 94 SER C C 72 177.631 177.631 176.229 1.402 17995 404 1 1 . 1 1 94 94 SER CA C 72 62.329 62.329 62.384 -0.055 17995 405 1 1 . 1 1 94 94 SER H H 72 8.709 8.709 7.416 1.293 17995 406 1 1 . 1 1 95 95 LEU N N 73 129.169 129.169 121.521 7.648 17995 407 1 1 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.079 0.161 17995 408 1 1 . 1 1 95 95 LEU C C 73 176.439 176.439 178.958 -2.519 17995 409 1 1 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.433 0.369 17995 410 1 1 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.377 1.482 17995 411 1 1 . 1 1 95 95 LEU H H 73 7.800 7.800 7.507 0.293 17995 412 1 1 . 1 1 96 96 ALA N N 74 121.721 121.721 121.929 -0.208 17995 413 1 1 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.943 0.046 17995 414 1 1 . 1 1 96 96 ALA C C 74 180.456 180.456 179.796 0.660 17995 415 1 1 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.136 0.566 17995 416 1 1 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.392 -0.676 17995 417 1 1 . 1 1 96 96 ALA H H 74 8.612 8.612 8.078 0.534 17995 418 1 1 . 1 1 97 97 LEU N N 75 122.095 122.095 119.246 2.849 17995 419 1 1 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.739 0.318 17995 420 1 1 . 1 1 97 97 LEU C C 75 178.805 178.805 179.036 -0.231 17995 421 1 1 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.609 0.160 17995 422 1 1 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.663 1.159 17995 423 1 1 . 1 1 97 97 LEU H H 75 8.777 8.777 7.942 0.835 17995 424 1 1 . 1 1 98 98 PHE N N 76 122.741 122.741 117.870 4.871 17995 425 1 1 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.320 -0.058 17995 426 1 1 . 1 1 98 98 PHE C C 76 176.878 176.878 178.740 -1.862 17995 427 1 1 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.024 -0.792 17995 428 1 1 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.291 0.258 17995 429 1 1 . 1 1 98 98 PHE H H 76 7.889 7.889 8.147 -0.258 17995 430 1 1 . 1 1 99 99 VAL N N 77 119.641 119.641 115.872 3.769 17995 431 1 1 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.739 -0.961 17995 432 1 1 . 1 1 99 99 VAL C C 77 176.414 176.414 177.738 -1.324 17995 433 1 1 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.430 0.538 17995 434 1 1 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.390 0.796 17995 435 1 1 . 1 1 99 99 VAL H H 77 7.599 7.599 8.248 -0.649 17995 436 1 1 . 1 1 100 100 GLU N N 78 118.850 118.850 119.467 -0.617 17995 437 1 1 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.159 -0.386 17995 438 1 1 . 1 1 100 100 GLU C C 78 179.007 179.007 178.572 0.435 17995 439 1 1 . 1 1 100 100 GLU CA C 78 59.540 59.540 58.738 0.802 17995 440 1 1 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.462 0.316 17995 441 1 1 . 1 1 100 100 GLU H H 78 7.740 7.740 7.754 -0.014 17995 442 1 1 . 1 1 101 101 HIS N N 79 120.328 120.328 117.957 2.371 17995 443 1 1 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.590 -0.389 17995 444 1 1 . 1 1 101 101 HIS C C 79 178.242 178.242 177.608 0.634 17995 445 1 1 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.776 0.462 17995 446 1 1 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.767 0.171 17995 447 1 1 . 1 1 101 101 HIS H H 79 8.354 8.354 7.976 0.378 17995 448 1 1 . 1 1 102 102 LYS N N 80 121.044 121.044 120.424 0.620 17995 449 1 1 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.277 -0.710 17995 450 1 1 . 1 1 102 102 LYS C C 80 179.199 179.199 179.020 0.179 17995 451 1 1 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.646 -1.659 17995 452 1 1 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.224 -2.048 17995 453 1 1 . 1 1 102 102 LYS H H 80 7.908 7.908 7.964 -0.056 17995 454 1 1 . 1 1 103 103 LEU N N 81 118.698 118.698 118.556 0.142 17995 455 1 1 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.312 -0.154 17995 456 1 1 . 1 1 103 103 LEU C C 81 178.593 178.593 178.517 0.076 17995 457 1 1 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.705 -0.309 17995 458 1 1 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.166 1.143 17995 459 1 1 . 1 1 103 103 LEU H H 81 7.784 7.784 7.979 -0.195 17995 460 1 1 . 1 1 104 104 SER N N 82 114.826 114.826 112.685 2.141 17995 461 1 1 . 1 1 104 104 SER HA H 82 4.358 4.358 4.446 -0.088 17995 462 1 1 . 1 1 104 104 SER C C 82 174.810 174.810 174.533 0.277 17995 463 1 1 . 1 1 104 104 SER CA C 82 59.567 59.567 59.788 -0.221 17995 464 1 1 . 1 1 104 104 SER CB C 82 63.859 63.859 63.988 -0.129 17995 465 1 1 . 1 1 104 104 SER H H 82 7.738 7.738 8.242 -0.504 17995 466 1 2 . 1 1 24 24 GLN N N 2 121.730 121.730 120.768 0.962 17995 467 1 2 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.342 -0.380 17995 468 1 2 . 1 1 24 24 GLN C C 2 177.291 177.291 177.579 -0.288 17995 469 1 2 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.387 1.004 17995 470 1 2 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.295 -0.585 17995 471 1 2 . 1 1 24 24 GLN H H 2 8.511 8.511 9.140 -0.629 17995 472 1 2 . 1 1 25 25 HIS N N 3 116.878 116.878 119.734 -2.856 17995 473 1 2 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.735 0.368 17995 474 1 2 . 1 1 25 25 HIS C C 3 175.501 175.501 177.618 -2.117 17995 475 1 2 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.422 -2.075 17995 476 1 2 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.823 0.804 17995 477 1 2 . 1 1 25 25 HIS H H 3 8.216 8.216 8.280 -0.064 17995 478 1 2 . 1 1 26 26 LEU N N 4 121.540 121.540 118.781 2.759 17995 479 1 2 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.110 -0.417 17995 480 1 2 . 1 1 26 26 LEU C C 4 177.649 177.649 178.401 -0.752 17995 481 1 2 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.109 1.594 17995 482 1 2 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.272 1.063 17995 483 1 2 . 1 1 26 26 LEU H H 4 7.447 7.447 8.053 -0.606 17995 484 1 2 . 1 1 27 27 GLU N N 5 118.441 118.441 118.975 -0.534 17995 485 1 2 . 1 1 27 27 GLU HA H 5 3.891 3.891 4.070 -0.179 17995 486 1 2 . 1 1 27 27 GLU C C 5 178.162 178.162 178.393 -0.231 17995 487 1 2 . 1 1 27 27 GLU CA C 5 59.622 59.622 58.784 0.838 17995 488 1 2 . 1 1 27 27 GLU CB C 5 29.077 29.077 28.828 0.249 17995 489 1 2 . 1 1 27 27 GLU H H 5 8.561 8.561 7.907 0.654 17995 490 1 2 . 1 1 28 28 ALA N N 6 122.005 122.005 122.321 -0.316 17995 491 1 2 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.204 -0.072 17995 492 1 2 . 1 1 28 28 ALA C C 6 180.421 180.421 180.040 0.381 17995 493 1 2 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.674 0.605 17995 494 1 2 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.408 0.358 17995 495 1 2 . 1 1 28 28 ALA H H 6 8.205 8.205 7.693 0.512 17995 496 1 2 . 1 1 29 29 VAL N N 7 116.985 116.985 120.036 -3.051 17995 497 1 2 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.694 -0.185 17995 498 1 2 . 1 1 29 29 VAL C C 7 177.034 177.034 177.680 -0.646 17995 499 1 2 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.671 -0.308 17995 500 1 2 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.664 -0.225 17995 501 1 2 . 1 1 29 29 VAL H H 7 8.392 8.392 7.996 0.396 17995 502 1 2 . 1 1 30 30 ARG N N 8 121.674 121.674 119.224 2.450 17995 503 1 2 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.060 -0.396 17995 504 1 2 . 1 1 30 30 ARG C C 8 177.810 177.810 178.449 -0.639 17995 505 1 2 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.255 1.270 17995 506 1 2 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.434 1.232 17995 507 1 2 . 1 1 30 30 ARG H H 8 8.784 8.784 8.299 0.485 17995 508 1 2 . 1 1 31 31 ASN N N 9 118.102 118.102 118.730 -0.628 17995 509 1 2 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.524 -0.240 17995 510 1 2 . 1 1 31 31 ASN C C 9 177.890 177.890 177.194 0.696 17995 511 1 2 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.062 0.193 17995 512 1 2 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.219 -0.631 17995 513 1 2 . 1 1 31 31 ASN H H 9 8.144 8.144 7.913 0.231 17995 514 1 2 . 1 1 32 32 ILE N N 10 123.614 123.614 120.411 3.203 17995 515 1 2 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.617 0.175 17995 516 1 2 . 1 1 32 32 ILE C C 10 177.810 177.810 177.740 0.070 17995 517 1 2 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.258 0.000 17995 518 1 2 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.032 0.702 17995 519 1 2 . 1 1 32 32 ILE H H 10 8.137 8.137 7.758 0.379 17995 520 1 2 . 1 1 33 33 LEU N N 11 119.797 119.797 119.591 0.206 17995 521 1 2 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.995 -0.209 17995 522 1 2 . 1 1 33 33 LEU C C 11 179.039 179.039 179.468 -0.429 17995 523 1 2 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.978 0.732 17995 524 1 2 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.356 0.720 17995 525 1 2 . 1 1 33 33 LEU H H 11 8.637 8.637 8.443 0.194 17995 526 1 2 . 1 1 34 34 GLY N N 12 103.682 103.682 105.688 -2.006 17995 527 1 2 . 1 1 34 34 GLY C C 12 175.242 175.242 175.399 -0.157 17995 528 1 2 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.781 0.937 17995 529 1 2 . 1 1 34 34 GLY H H 12 8.513 8.513 8.277 0.236 17995 530 1 2 . 1 1 35 35 ASP N N 13 122.235 122.235 121.718 0.517 17995 531 1 2 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.622 -0.037 17995 532 1 2 . 1 1 35 35 ASP C C 13 179.013 179.013 178.016 0.997 17995 533 1 2 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.437 0.479 17995 534 1 2 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.365 -0.319 17995 535 1 2 . 1 1 35 35 ASP H H 13 7.968 7.968 7.718 0.250 17995 536 1 2 . 1 1 36 36 VAL N N 14 120.841 120.841 120.080 0.761 17995 537 1 2 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.884 -0.207 17995 538 1 2 . 1 1 36 36 VAL C C 14 177.797 177.797 177.745 0.052 17995 539 1 2 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.479 0.525 17995 540 1 2 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.220 0.012 17995 541 1 2 . 1 1 36 36 VAL H H 14 8.765 8.765 8.154 0.611 17995 542 1 2 . 1 1 37 37 LEU N N 15 114.630 114.630 115.575 -0.945 17995 543 1 2 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.407 -0.126 17995 544 1 2 . 1 1 37 37 LEU C C 15 175.483 175.483 176.394 -0.911 17995 545 1 2 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.435 -0.265 17995 546 1 2 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.172 -0.478 17995 547 1 2 . 1 1 37 37 LEU H H 15 7.942 7.942 7.845 0.097 17995 548 1 2 . 1 1 38 38 ASN N N 16 116.887 116.887 117.226 -0.339 17995 549 1 2 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.540 -0.006 17995 550 1 2 . 1 1 38 38 ASN C C 16 175.668 175.668 174.743 0.925 17995 551 1 2 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.947 -0.027 17995 552 1 2 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.365 -0.507 17995 553 1 2 . 1 1 38 38 ASN H H 16 7.561 7.561 7.961 -0.400 17995 554 1 2 . 1 1 39 39 LEU N N 17 114.676 114.676 120.618 -5.942 17995 555 1 2 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.352 -0.282 17995 556 1 2 . 1 1 39 39 LEU C C 17 178.415 178.415 178.013 0.402 17995 557 1 2 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.796 -0.052 17995 558 1 2 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.714 0.562 17995 559 1 2 . 1 1 39 39 LEU H H 17 8.233 8.233 8.056 0.177 17995 560 1 2 . 1 1 40 40 GLY N N 18 109.665 109.665 107.857 1.808 17995 561 1 2 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.941 -0.636 17995 562 1 2 . 1 1 40 40 GLY H H 18 8.678 8.678 7.827 0.851 17995 563 1 2 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.398 -0.270 17995 564 1 2 . 1 1 41 41 GLU C C 19 178.328 178.328 177.455 0.873 17995 565 1 2 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.811 1.453 17995 566 1 2 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.783 -0.703 17995 567 1 2 . 1 1 42 42 ARG N N 20 118.936 118.936 121.383 -2.447 17995 568 1 2 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.078 0.097 17995 569 1 2 . 1 1 42 42 ARG C C 20 178.912 178.912 177.540 1.372 17995 570 1 2 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.824 -0.587 17995 571 1 2 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.069 -0.013 17995 572 1 2 . 1 1 42 42 ARG H H 20 7.979 7.979 7.803 0.176 17995 573 1 2 . 1 1 43 43 LYS N N 21 119.087 119.087 115.780 3.307 17995 574 1 2 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.149 -0.401 17995 575 1 2 . 1 1 43 43 LYS C C 21 176.559 176.559 178.065 -1.506 17995 576 1 2 . 1 1 43 43 LYS CA C 21 59.098 59.098 59.170 -0.072 17995 577 1 2 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.535 0.446 17995 578 1 2 . 1 1 43 43 LYS H H 21 7.719 7.719 8.152 -0.433 17995 579 1 2 . 1 1 44 44 HIS N N 22 115.571 115.571 118.055 -2.484 17995 580 1 2 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.498 -0.070 17995 581 1 2 . 1 1 44 44 HIS C C 22 176.288 176.288 177.211 -0.923 17995 582 1 2 . 1 1 44 44 HIS CA C 22 57.784 57.784 59.306 -1.522 17995 583 1 2 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.195 0.275 17995 584 1 2 . 1 1 44 44 HIS H H 22 7.124 7.124 7.447 -0.323 17995 585 1 2 . 1 1 45 45 THR N N 23 107.890 107.890 114.592 -6.702 17995 586 1 2 . 1 1 45 45 THR HA H 23 4.355 4.355 4.136 0.219 17995 587 1 2 . 1 1 45 45 THR C C 23 174.650 174.650 174.400 0.250 17995 588 1 2 . 1 1 45 45 THR CA C 23 61.627 61.627 63.208 -1.581 17995 589 1 2 . 1 1 45 45 THR CB C 23 69.475 69.475 69.067 0.408 17995 590 1 2 . 1 1 45 45 THR H H 23 7.441 7.441 7.857 -0.416 17995 591 1 2 . 1 1 46 46 LEU N N 24 121.435 121.435 118.530 2.905 17995 592 1 2 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.719 -0.096 17995 593 1 2 . 1 1 46 46 LEU C C 24 176.537 176.537 175.706 0.831 17995 594 1 2 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.167 1.423 17995 595 1 2 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.584 -0.467 17995 596 1 2 . 1 1 46 46 LEU H H 24 7.059 7.059 7.154 -0.095 17995 597 1 2 . 1 1 47 47 THR N N 25 116.104 116.104 112.054 4.050 17995 598 1 2 . 1 1 47 47 THR HA H 25 4.605 4.605 4.569 0.036 17995 599 1 2 . 1 1 47 47 THR C C 25 175.526 175.526 175.873 -0.347 17995 600 1 2 . 1 1 47 47 THR CA C 25 59.878 59.878 59.621 0.257 17995 601 1 2 . 1 1 47 47 THR CB C 25 71.752 71.752 71.199 0.553 17995 602 1 2 . 1 1 47 47 THR H H 25 9.432 9.432 7.752 1.680 17995 603 1 2 . 1 1 48 48 ALA N N 26 122.234 122.234 122.107 0.127 17995 604 1 2 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.143 -0.334 17995 605 1 2 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.968 0.625 17995 606 1 2 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.530 0.124 17995 607 1 2 . 1 1 48 48 ALA H H 26 9.142 9.142 8.587 0.555 17995 608 1 2 . 1 1 49 49 SER HA H 27 4.448 4.448 4.401 0.047 17995 609 1 2 . 1 1 49 49 SER C C 27 174.637 174.637 174.362 0.275 17995 610 1 2 . 1 1 49 49 SER CA C 27 58.348 58.348 59.089 -0.741 17995 611 1 2 . 1 1 49 49 SER CB C 27 63.704 63.704 62.652 1.052 17995 612 1 2 . 1 1 50 50 SER N N 28 122.032 122.032 117.994 4.038 17995 613 1 2 . 1 1 50 50 SER HA H 28 4.269 4.269 4.419 -0.150 17995 614 1 2 . 1 1 50 50 SER C C 28 172.904 172.904 173.737 -0.833 17995 615 1 2 . 1 1 50 50 SER CA C 28 60.846 60.846 57.910 2.936 17995 616 1 2 . 1 1 50 50 SER CB C 28 63.063 63.063 63.727 -0.664 17995 617 1 2 . 1 1 50 50 SER H H 28 8.157 8.157 7.407 0.750 17995 618 1 2 . 1 1 51 51 VAL N N 29 127.079 127.079 126.920 0.159 17995 619 1 2 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.227 0.115 17995 620 1 2 . 1 1 51 51 VAL C C 29 176.612 176.612 175.760 0.852 17995 621 1 2 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.956 -0.508 17995 622 1 2 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.184 0.041 17995 623 1 2 . 1 1 51 51 VAL H H 29 8.505 8.505 8.557 -0.052 17995 624 1 2 . 1 1 52 52 LEU N N 30 126.014 126.014 125.640 0.374 17995 625 1 2 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.564 0.231 17995 626 1 2 . 1 1 52 52 LEU C C 30 176.569 176.569 177.379 -0.810 17995 627 1 2 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.651 -1.119 17995 628 1 2 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.828 -1.825 17995 629 1 2 . 1 1 52 52 LEU H H 30 7.954 7.954 8.401 -0.447 17995 630 1 2 . 1 1 53 53 LEU N N 31 122.601 122.601 119.103 3.498 17995 631 1 2 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.914 0.172 17995 632 1 2 . 1 1 53 53 LEU C C 31 177.683 177.683 178.143 -0.460 17995 633 1 2 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.572 0.802 17995 634 1 2 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.307 0.512 17995 635 1 2 . 1 1 53 53 LEU H H 31 7.777 7.777 7.644 0.133 17995 636 1 2 . 1 1 54 54 GLY N N 32 114.941 114.941 114.029 0.912 17995 637 1 2 . 1 1 54 54 GLY C C 32 173.612 173.612 174.308 -0.696 17995 638 1 2 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.705 -0.147 17995 639 1 2 . 1 1 54 54 GLY H H 32 9.121 9.121 9.027 0.094 17995 640 1 2 . 1 1 55 55 ASN N N 33 117.901 117.901 120.299 -2.398 17995 641 1 2 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.721 0.209 17995 642 1 2 . 1 1 55 55 ASN C C 33 174.458 174.458 176.400 -1.942 17995 643 1 2 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.627 -0.808 17995 644 1 2 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.449 2.098 17995 645 1 2 . 1 1 55 55 ASN H H 33 7.789 7.789 7.783 0.006 17995 646 1 2 . 1 1 56 56 ILE N N 34 120.163 120.163 122.293 -2.130 17995 647 1 2 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.360 0.177 17995 648 1 2 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.072 -0.071 17995 649 1 2 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.122 1.971 17995 650 1 2 . 1 1 56 56 ILE H H 34 7.703 7.703 8.066 -0.363 17995 651 1 2 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.431 -0.258 17995 652 1 2 . 1 1 57 57 PRO C C 35 177.969 177.969 176.771 1.198 17995 653 1 2 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.430 0.846 17995 654 1 2 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.046 -0.112 17995 655 1 2 . 1 1 58 58 GLU N N 36 116.701 116.701 116.625 0.076 17995 656 1 2 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.462 -0.490 17995 657 1 2 . 1 1 58 58 GLU C C 36 176.612 176.612 175.311 1.301 17995 658 1 2 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.931 3.416 17995 659 1 2 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.575 0.257 17995 660 1 2 . 1 1 58 58 GLU H H 36 9.581 9.581 8.323 1.258 17995 661 1 2 . 1 1 59 59 LEU N N 37 121.189 121.189 124.394 -3.205 17995 662 1 2 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.264 0.048 17995 663 1 2 . 1 1 59 59 LEU C C 37 173.353 173.353 175.441 -2.088 17995 664 1 2 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.597 -1.319 17995 665 1 2 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.373 -0.374 17995 666 1 2 . 1 1 59 59 LEU H H 37 7.560 7.560 7.369 0.191 17995 667 1 2 . 1 1 60 60 ASP N N 38 126.468 126.468 123.513 2.955 17995 668 1 2 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.798 -0.083 17995 669 1 2 . 1 1 60 60 ASP C C 38 175.828 175.828 176.635 -0.807 17995 670 1 2 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.118 -1.198 17995 671 1 2 . 1 1 60 60 ASP CB C 38 41.556 41.556 42.541 -0.985 17995 672 1 2 . 1 1 60 60 ASP H H 38 7.527 7.527 7.787 -0.260 17995 673 1 2 . 1 1 61 61 SER N N 39 113.128 113.128 113.441 -0.313 17995 674 1 2 . 1 1 61 61 SER HA H 39 4.019 4.019 4.147 -0.128 17995 675 1 2 . 1 1 61 61 SER C C 39 175.854 175.854 176.894 -1.040 17995 676 1 2 . 1 1 61 61 SER CA C 39 61.276 61.276 60.964 0.312 17995 677 1 2 . 1 1 61 61 SER CB C 39 65.520 65.520 62.972 2.548 17995 678 1 2 . 1 1 61 61 SER H H 39 8.623 8.623 8.478 0.145 17995 679 1 2 . 1 1 62 62 MET N N 40 121.706 121.706 120.410 1.296 17995 680 1 2 . 1 1 62 62 MET HA H 40 4.303 4.303 4.249 0.054 17995 681 1 2 . 1 1 62 62 MET C C 40 177.755 177.755 178.140 -0.385 17995 682 1 2 . 1 1 62 62 MET CA C 40 57.714 57.714 56.471 1.244 17995 683 1 2 . 1 1 62 62 MET CB C 40 32.386 32.386 31.165 1.221 17995 684 1 2 . 1 1 62 62 MET H H 40 7.802 7.802 7.999 -0.197 17995 685 1 2 . 1 1 63 63 ALA N N 41 124.277 124.277 120.789 3.488 17995 686 1 2 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.139 0.032 17995 687 1 2 . 1 1 63 63 ALA C C 41 179.893 179.893 179.042 0.851 17995 688 1 2 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.777 0.324 17995 689 1 2 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.955 1.701 17995 690 1 2 . 1 1 63 63 ALA H H 41 8.295 8.295 7.945 0.350 17995 691 1 2 . 1 1 64 64 VAL N N 42 118.186 118.186 116.042 2.144 17995 692 1 2 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.287 -0.294 17995 693 1 2 . 1 1 64 64 VAL C C 42 177.327 177.327 177.217 0.110 17995 694 1 2 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.323 1.989 17995 695 1 2 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.168 0.024 17995 696 1 2 . 1 1 64 64 VAL H H 42 8.019 8.019 7.319 0.700 17995 697 1 2 . 1 1 65 65 VAL N N 43 118.361 118.361 121.200 -2.839 17995 698 1 2 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.468 0.096 17995 699 1 2 . 1 1 65 65 VAL C C 43 178.520 178.520 178.146 0.374 17995 700 1 2 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.437 0.120 17995 701 1 2 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.149 0.351 17995 702 1 2 . 1 1 65 65 VAL H H 43 6.942 6.942 7.345 -0.403 17995 703 1 2 . 1 1 66 66 ASN N N 44 119.476 119.476 118.209 1.267 17995 704 1 2 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.447 0.115 17995 705 1 2 . 1 1 66 66 ASN C C 44 178.760 178.760 178.070 0.690 17995 706 1 2 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.333 -0.497 17995 707 1 2 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.278 -0.471 17995 708 1 2 . 1 1 66 66 ASN H H 44 7.789 7.789 7.789 0.000 17995 709 1 2 . 1 1 67 67 VAL N N 45 124.029 124.029 116.656 7.373 17995 710 1 2 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.845 -0.227 17995 711 1 2 . 1 1 67 67 VAL C C 45 177.100 177.100 177.982 -0.882 17995 712 1 2 . 1 1 67 67 VAL CA C 45 67.366 67.366 66.082 1.284 17995 713 1 2 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.594 -0.134 17995 714 1 2 . 1 1 67 67 VAL H H 45 9.055 9.055 7.657 1.398 17995 715 1 2 . 1 1 68 68 ILE N N 46 121.006 121.006 121.623 -0.617 17995 716 1 2 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.690 0.098 17995 717 1 2 . 1 1 68 68 ILE C C 46 177.871 177.871 178.146 -0.275 17995 718 1 2 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.588 -0.326 17995 719 1 2 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.521 -1.354 17995 720 1 2 . 1 1 68 68 ILE H H 46 8.509 8.509 7.935 0.574 17995 721 1 2 . 1 1 69 69 THR N N 47 116.096 116.096 116.467 -0.371 17995 722 1 2 . 1 1 69 69 THR HA H 47 4.391 4.391 3.948 0.443 17995 723 1 2 . 1 1 69 69 THR C C 47 176.365 176.365 176.357 0.008 17995 724 1 2 . 1 1 69 69 THR CA C 47 66.256 66.256 66.880 -0.624 17995 725 1 2 . 1 1 69 69 THR CB C 47 69.098 69.098 68.322 0.776 17995 726 1 2 . 1 1 69 69 THR H H 47 8.512 8.512 7.949 0.563 17995 727 1 2 . 1 1 70 70 ALA N N 48 123.948 123.948 124.310 -0.362 17995 728 1 2 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.245 0.058 17995 729 1 2 . 1 1 70 70 ALA C C 48 181.452 181.452 180.004 1.448 17995 730 1 2 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.267 -0.083 17995 731 1 2 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.230 1.192 17995 732 1 2 . 1 1 70 70 ALA H H 48 7.802 7.802 7.928 -0.126 17995 733 1 2 . 1 1 71 71 LEU N N 49 121.199 121.199 119.787 1.412 17995 734 1 2 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.207 0.016 17995 735 1 2 . 1 1 71 71 LEU C C 49 178.192 178.192 179.637 -1.445 17995 736 1 2 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.153 0.409 17995 737 1 2 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.788 1.663 17995 738 1 2 . 1 1 71 71 LEU H H 49 8.802 8.802 8.281 0.521 17995 739 1 2 . 1 1 72 72 GLU N N 50 119.782 119.782 119.035 0.747 17995 740 1 2 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.227 -0.737 17995 741 1 2 . 1 1 72 72 GLU C C 50 180.303 180.303 179.667 0.636 17995 742 1 2 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.221 0.630 17995 743 1 2 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.052 2.055 17995 744 1 2 . 1 1 72 72 GLU H H 50 8.762 8.762 8.236 0.526 17995 745 1 2 . 1 1 73 73 GLU N N 51 116.902 116.902 118.021 -1.119 17995 746 1 2 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.141 -0.089 17995 747 1 2 . 1 1 73 73 GLU C C 51 178.334 178.334 178.963 -0.629 17995 748 1 2 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.419 0.199 17995 749 1 2 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.352 0.730 17995 750 1 2 . 1 1 73 73 GLU H H 51 7.953 7.953 7.904 0.049 17995 751 1 2 . 1 1 74 74 TYR N N 52 119.999 119.999 117.765 2.234 17995 752 1 2 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.320 -0.438 17995 753 1 2 . 1 1 74 74 TYR C C 52 177.384 177.384 178.042 -0.658 17995 754 1 2 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.395 0.205 17995 755 1 2 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.896 0.749 17995 756 1 2 . 1 1 74 74 TYR H H 52 8.078 8.078 8.003 0.075 17995 757 1 2 . 1 1 75 75 PHE N N 53 113.650 113.650 114.599 -0.949 17995 758 1 2 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.503 -0.317 17995 759 1 2 . 1 1 75 75 PHE C C 53 174.485 174.485 175.549 -1.064 17995 760 1 2 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.749 0.495 17995 761 1 2 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.103 0.937 17995 762 1 2 . 1 1 75 75 PHE H H 53 8.244 8.244 8.334 -0.090 17995 763 1 2 . 1 1 76 76 ASP N N 54 119.712 119.712 117.384 2.328 17995 764 1 2 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.548 -0.168 17995 765 1 2 . 1 1 76 76 ASP C C 54 174.118 174.118 175.441 -1.323 17995 766 1 2 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.707 -0.844 17995 767 1 2 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.100 0.056 17995 768 1 2 . 1 1 76 76 ASP H H 54 7.596 7.596 8.223 -0.627 17995 769 1 2 . 1 1 77 77 PHE N N 55 113.804 113.804 116.455 -2.651 17995 770 1 2 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.046 0.029 17995 771 1 2 . 1 1 77 77 PHE C C 55 174.384 174.384 173.548 0.836 17995 772 1 2 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.153 -0.717 17995 773 1 2 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.901 -0.271 17995 774 1 2 . 1 1 77 77 PHE H H 55 7.725 7.725 8.166 -0.441 17995 775 1 2 . 1 1 78 78 SER N N 56 114.319 114.319 114.890 -0.571 17995 776 1 2 . 1 1 78 78 SER HA H 56 5.149 5.149 4.898 0.251 17995 777 1 2 . 1 1 78 78 SER C C 56 174.100 174.100 173.333 0.767 17995 778 1 2 . 1 1 78 78 SER CA C 56 56.800 56.800 56.736 0.063 17995 779 1 2 . 1 1 78 78 SER CB C 56 65.011 65.011 63.594 1.417 17995 780 1 2 . 1 1 78 78 SER H H 56 8.727 8.727 8.301 0.426 17995 781 1 2 . 1 1 79 79 VAL N N 57 128.316 128.316 129.838 -1.522 17995 782 1 2 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.745 0.499 17995 783 1 2 . 1 1 79 79 VAL C C 57 175.637 175.637 175.335 0.302 17995 784 1 2 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.922 -1.168 17995 785 1 2 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.312 1.561 17995 786 1 2 . 1 1 79 79 VAL H H 57 10.222 10.222 7.958 2.264 17995 787 1 2 . 1 1 80 80 ASP N N 58 130.058 130.058 127.588 2.470 17995 788 1 2 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.420 0.426 17995 789 1 2 . 1 1 80 80 ASP C C 58 177.205 177.205 177.323 -0.118 17995 790 1 2 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.452 -0.975 17995 791 1 2 . 1 1 80 80 ASP CB C 58 42.665 42.665 42.828 -0.163 17995 792 1 2 . 1 1 80 80 ASP H H 58 9.396 9.396 8.119 1.277 17995 793 1 2 . 1 1 81 81 ASP N N 59 122.564 122.564 124.779 -2.215 17995 794 1 2 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.311 -0.031 17995 795 1 2 . 1 1 81 81 ASP C C 59 177.291 177.291 177.760 -0.469 17995 796 1 2 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.134 0.326 17995 797 1 2 . 1 1 81 81 ASP CB C 59 40.730 40.730 40.924 -0.194 17995 798 1 2 . 1 1 81 81 ASP H H 59 8.696 8.696 8.745 -0.049 17995 799 1 2 . 1 1 82 82 ASP N N 60 115.817 115.817 119.197 -3.380 17995 800 1 2 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.525 0.034 17995 801 1 2 . 1 1 82 82 ASP C C 60 176.939 176.939 177.028 -0.089 17995 802 1 2 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.934 -1.073 17995 803 1 2 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.874 -0.459 17995 804 1 2 . 1 1 82 82 ASP H H 60 8.460 8.460 8.191 0.269 17995 805 1 2 . 1 1 83 83 GLU N N 61 118.478 118.478 116.210 2.268 17995 806 1 2 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.482 -0.181 17995 807 1 2 . 1 1 83 83 GLU C C 61 175.841 175.841 176.183 -0.342 17995 808 1 2 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.012 1.292 17995 809 1 2 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.976 0.515 17995 810 1 2 . 1 1 83 83 GLU H H 61 7.903 7.903 7.657 0.246 17995 811 1 2 . 1 1 84 84 ILE N N 62 117.759 117.759 121.622 -3.863 17995 812 1 2 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.828 0.337 17995 813 1 2 . 1 1 84 84 ILE C C 62 174.069 174.069 175.298 -1.229 17995 814 1 2 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.680 -2.186 17995 815 1 2 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.989 1.146 17995 816 1 2 . 1 1 84 84 ILE H H 62 7.396 7.396 7.304 0.092 17995 817 1 2 . 1 1 85 85 SER N N 63 119.980 119.980 120.749 -0.769 17995 818 1 2 . 1 1 85 85 SER HA H 63 4.789 4.789 4.741 0.048 17995 819 1 2 . 1 1 85 85 SER CA C 63 56.772 56.772 56.728 0.044 17995 820 1 2 . 1 1 85 85 SER CB C 63 66.916 66.916 66.090 0.826 17995 821 1 2 . 1 1 85 85 SER H H 63 8.384 8.384 8.145 0.239 17995 822 1 2 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.357 -0.330 17995 823 1 2 . 1 1 86 86 ALA C C 64 180.211 180.211 179.517 0.694 17995 824 1 2 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.767 0.734 17995 825 1 2 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.730 -0.720 17995 826 1 2 . 1 1 87 87 GLN N N 65 116.123 116.123 115.060 1.063 17995 827 1 2 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.218 -0.153 17995 828 1 2 . 1 1 87 87 GLN C C 65 178.564 178.564 177.164 1.400 17995 829 1 2 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.068 1.671 17995 830 1 2 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.218 0.225 17995 831 1 2 . 1 1 87 87 GLN H H 65 7.990 7.990 7.748 0.242 17995 832 1 2 . 1 1 88 88 THR N N 66 119.153 119.153 114.297 4.856 17995 833 1 2 . 1 1 88 88 THR HA H 66 3.631 3.631 4.119 -0.488 17995 834 1 2 . 1 1 88 88 THR C C 66 174.748 174.748 174.440 0.308 17995 835 1 2 . 1 1 88 88 THR CA C 66 66.591 66.591 65.096 1.495 17995 836 1 2 . 1 1 88 88 THR CB C 66 68.702 68.702 68.707 -0.005 17995 837 1 2 . 1 1 88 88 THR H H 66 7.738 7.738 7.283 0.455 17995 838 1 2 . 1 1 89 89 PHE N N 67 115.088 115.088 116.435 -1.347 17995 839 1 2 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.643 -0.406 17995 840 1 2 . 1 1 89 89 PHE C C 67 173.600 173.600 176.495 -2.895 17995 841 1 2 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.532 -0.010 17995 842 1 2 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.408 1.298 17995 843 1 2 . 1 1 89 89 PHE H H 67 7.180 7.180 7.476 -0.296 17995 844 1 2 . 1 1 90 90 GLU N N 68 122.222 122.222 119.798 2.424 17995 845 1 2 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.087 0.080 17995 846 1 2 . 1 1 90 90 GLU C C 68 178.581 178.581 176.818 1.763 17995 847 1 2 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.565 1.161 17995 848 1 2 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.679 1.069 17995 849 1 2 . 1 1 90 90 GLU H H 68 7.421 7.421 8.122 -0.701 17995 850 1 2 . 1 1 91 91 THR N N 69 106.383 106.383 107.204 -0.821 17995 851 1 2 . 1 1 91 91 THR HA H 69 5.477 5.477 4.987 0.490 17995 852 1 2 . 1 1 91 91 THR C C 69 174.775 174.775 174.674 0.101 17995 853 1 2 . 1 1 91 91 THR CA C 69 58.798 58.798 58.907 -0.109 17995 854 1 2 . 1 1 91 91 THR CB C 69 74.841 74.841 73.038 1.803 17995 855 1 2 . 1 1 91 91 THR H H 69 8.534 8.534 7.194 1.340 17995 856 1 2 . 1 1 92 92 LEU N N 70 120.326 120.326 122.777 -2.451 17995 857 1 2 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.078 0.065 17995 858 1 2 . 1 1 92 92 LEU C C 70 178.174 178.174 178.281 -0.107 17995 859 1 2 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.733 0.533 17995 860 1 2 . 1 1 92 92 LEU CB C 70 40.870 40.870 41.971 -1.101 17995 861 1 2 . 1 1 92 92 LEU H H 70 7.991 7.991 8.672 -0.681 17995 862 1 2 . 1 1 93 93 GLY N N 71 106.588 106.588 104.735 1.853 17995 863 1 2 . 1 1 93 93 GLY C C 71 175.300 175.300 176.200 -0.900 17995 864 1 2 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.364 -0.026 17995 865 1 2 . 1 1 93 93 GLY H H 71 9.019 9.019 8.376 0.643 17995 866 1 2 . 1 1 94 94 SER N N 72 120.200 120.200 118.673 1.527 17995 867 1 2 . 1 1 94 94 SER HA H 72 4.090 4.090 4.273 -0.183 17995 868 1 2 . 1 1 94 94 SER C C 72 177.631 177.631 176.734 0.897 17995 869 1 2 . 1 1 94 94 SER CA C 72 62.329 62.329 62.219 0.110 17995 870 1 2 . 1 1 94 94 SER H H 72 8.709 8.709 7.403 1.306 17995 871 1 2 . 1 1 95 95 LEU N N 73 129.169 129.169 121.487 7.682 17995 872 1 2 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.042 0.198 17995 873 1 2 . 1 1 95 95 LEU C C 73 176.439 176.439 179.044 -2.605 17995 874 1 2 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.452 0.350 17995 875 1 2 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.453 1.406 17995 876 1 2 . 1 1 95 95 LEU H H 73 7.800 7.800 7.500 0.300 17995 877 1 2 . 1 1 96 96 ALA N N 74 121.721 121.721 122.268 -0.547 17995 878 1 2 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.054 -0.065 17995 879 1 2 . 1 1 96 96 ALA C C 74 180.456 180.456 180.001 0.455 17995 880 1 2 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.232 0.470 17995 881 1 2 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.424 -0.708 17995 882 1 2 . 1 1 96 96 ALA H H 74 8.612 8.612 8.079 0.533 17995 883 1 2 . 1 1 97 97 LEU N N 75 122.095 122.095 119.437 2.658 17995 884 1 2 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.051 0.006 17995 885 1 2 . 1 1 97 97 LEU C C 75 178.805 178.805 179.285 -0.480 17995 886 1 2 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.745 0.024 17995 887 1 2 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.552 1.270 17995 888 1 2 . 1 1 97 97 LEU H H 75 8.777 8.777 7.960 0.817 17995 889 1 2 . 1 1 98 98 PHE N N 76 122.741 122.741 118.110 4.631 17995 890 1 2 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.945 0.317 17995 891 1 2 . 1 1 98 98 PHE C C 76 176.878 176.878 178.352 -1.474 17995 892 1 2 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.729 -1.497 17995 893 1 2 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.430 0.119 17995 894 1 2 . 1 1 98 98 PHE H H 76 7.889 7.889 7.937 -0.048 17995 895 1 2 . 1 1 99 99 VAL N N 77 119.641 119.641 114.772 4.869 17995 896 1 2 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.694 -0.916 17995 897 1 2 . 1 1 99 99 VAL C C 77 176.414 176.414 177.646 -1.232 17995 898 1 2 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.112 0.856 17995 899 1 2 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.248 -0.062 17995 900 1 2 . 1 1 99 99 VAL H H 77 7.599 7.599 8.347 -0.748 17995 901 1 2 . 1 1 100 100 GLU N N 78 118.850 118.850 121.690 -2.840 17995 902 1 2 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.221 -0.448 17995 903 1 2 . 1 1 100 100 GLU C C 78 179.007 179.007 179.113 -0.106 17995 904 1 2 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.274 0.266 17995 905 1 2 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.992 0.786 17995 906 1 2 . 1 1 100 100 GLU H H 78 7.740 7.740 8.053 -0.313 17995 907 1 2 . 1 1 101 101 HIS N N 79 120.328 120.328 116.538 3.790 17995 908 1 2 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.373 -0.172 17995 909 1 2 . 1 1 101 101 HIS C C 79 178.242 178.242 177.961 0.281 17995 910 1 2 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.192 1.046 17995 911 1 2 . 1 1 101 101 HIS CB C 79 29.938 29.938 30.032 -0.094 17995 912 1 2 . 1 1 101 101 HIS H H 79 8.354 8.354 8.021 0.333 17995 913 1 2 . 1 1 102 102 LYS N N 80 121.044 121.044 120.252 0.792 17995 914 1 2 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.374 -0.807 17995 915 1 2 . 1 1 102 102 LYS C C 80 179.199 179.199 179.292 -0.093 17995 916 1 2 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.659 -1.672 17995 917 1 2 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.315 -2.139 17995 918 1 2 . 1 1 102 102 LYS H H 80 7.908 7.908 7.960 -0.052 17995 919 1 2 . 1 1 103 103 LEU N N 81 118.698 118.698 119.175 -0.477 17995 920 1 2 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.348 -0.190 17995 921 1 2 . 1 1 103 103 LEU C C 81 178.593 178.593 178.556 0.037 17995 922 1 2 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.001 0.395 17995 923 1 2 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.219 2.090 17995 924 1 2 . 1 1 103 103 LEU H H 81 7.784 7.784 7.931 -0.147 17995 925 1 2 . 1 1 104 104 SER N N 82 114.826 114.826 114.083 0.743 17995 926 1 2 . 1 1 104 104 SER HA H 82 4.358 4.358 4.333 0.025 17995 927 1 2 . 1 1 104 104 SER C C 82 174.810 174.810 174.915 -0.105 17995 928 1 2 . 1 1 104 104 SER CA C 82 59.567 59.567 60.117 -0.550 17995 929 1 2 . 1 1 104 104 SER CB C 82 63.859 63.859 63.172 0.687 17995 930 1 2 . 1 1 104 104 SER H H 82 7.738 7.738 7.906 -0.168 17995 931 1 3 . 1 1 24 24 GLN N N 2 121.730 121.730 122.326 -0.596 17995 932 1 3 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.430 -0.468 17995 933 1 3 . 1 1 24 24 GLN C C 2 177.291 177.291 177.514 -0.223 17995 934 1 3 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.217 1.174 17995 935 1 3 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.223 -0.513 17995 936 1 3 . 1 1 24 24 GLN H H 2 8.511 8.511 9.033 -0.522 17995 937 1 3 . 1 1 25 25 HIS N N 3 116.878 116.878 120.890 -4.012 17995 938 1 3 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.635 0.468 17995 939 1 3 . 1 1 25 25 HIS C C 3 175.501 175.501 177.564 -2.063 17995 940 1 3 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.300 -1.953 17995 941 1 3 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.656 0.971 17995 942 1 3 . 1 1 25 25 HIS H H 3 8.216 8.216 8.199 0.017 17995 943 1 3 . 1 1 26 26 LEU N N 4 121.540 121.540 118.770 2.770 17995 944 1 3 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.105 -0.412 17995 945 1 3 . 1 1 26 26 LEU C C 4 177.649 177.649 178.331 -0.682 17995 946 1 3 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.128 1.575 17995 947 1 3 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.100 1.235 17995 948 1 3 . 1 1 26 26 LEU H H 4 7.447 7.447 8.176 -0.729 17995 949 1 3 . 1 1 27 27 GLU N N 5 118.441 118.441 119.683 -1.242 17995 950 1 3 . 1 1 27 27 GLU HA H 5 3.891 3.891 4.008 -0.117 17995 951 1 3 . 1 1 27 27 GLU C C 5 178.162 178.162 178.443 -0.281 17995 952 1 3 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.040 0.582 17995 953 1 3 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.615 -0.538 17995 954 1 3 . 1 1 27 27 GLU H H 5 8.561 8.561 7.837 0.724 17995 955 1 3 . 1 1 28 28 ALA N N 6 122.005 122.005 122.653 -0.648 17995 956 1 3 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.272 -0.140 17995 957 1 3 . 1 1 28 28 ALA C C 6 180.421 180.421 180.059 0.362 17995 958 1 3 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.961 0.318 17995 959 1 3 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.280 0.486 17995 960 1 3 . 1 1 28 28 ALA H H 6 8.205 8.205 7.734 0.471 17995 961 1 3 . 1 1 29 29 VAL N N 7 116.985 116.985 119.664 -2.679 17995 962 1 3 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.703 -0.194 17995 963 1 3 . 1 1 29 29 VAL C C 7 177.034 177.034 177.802 -0.768 17995 964 1 3 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.721 0.642 17995 965 1 3 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.130 0.309 17995 966 1 3 . 1 1 29 29 VAL H H 7 8.392 8.392 8.020 0.372 17995 967 1 3 . 1 1 30 30 ARG N N 8 121.674 121.674 119.101 2.573 17995 968 1 3 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.053 -0.389 17995 969 1 3 . 1 1 30 30 ARG C C 8 177.810 177.810 178.435 -0.625 17995 970 1 3 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.253 1.272 17995 971 1 3 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.415 1.251 17995 972 1 3 . 1 1 30 30 ARG H H 8 8.784 8.784 8.301 0.483 17995 973 1 3 . 1 1 31 31 ASN N N 9 118.102 118.102 118.898 -0.796 17995 974 1 3 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.574 -0.290 17995 975 1 3 . 1 1 31 31 ASN C C 9 177.890 177.890 177.250 0.640 17995 976 1 3 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.151 0.103 17995 977 1 3 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.301 -0.713 17995 978 1 3 . 1 1 31 31 ASN H H 9 8.144 8.144 7.955 0.189 17995 979 1 3 . 1 1 32 32 ILE N N 10 123.614 123.614 120.381 3.233 17995 980 1 3 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.563 0.229 17995 981 1 3 . 1 1 32 32 ILE C C 10 177.810 177.810 177.933 -0.123 17995 982 1 3 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.550 -0.292 17995 983 1 3 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.785 0.949 17995 984 1 3 . 1 1 32 32 ILE H H 10 8.137 8.137 7.780 0.357 17995 985 1 3 . 1 1 33 33 LEU N N 11 119.797 119.797 119.705 0.092 17995 986 1 3 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.083 -0.297 17995 987 1 3 . 1 1 33 33 LEU C C 11 179.039 179.039 179.452 -0.413 17995 988 1 3 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.386 0.324 17995 989 1 3 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.200 0.876 17995 990 1 3 . 1 1 33 33 LEU H H 11 8.637 8.637 8.334 0.303 17995 991 1 3 . 1 1 34 34 GLY N N 12 103.682 103.682 106.143 -2.461 17995 992 1 3 . 1 1 34 34 GLY C C 12 175.242 175.242 175.434 -0.192 17995 993 1 3 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.016 0.702 17995 994 1 3 . 1 1 34 34 GLY H H 12 8.513 8.513 8.400 0.113 17995 995 1 3 . 1 1 35 35 ASP N N 13 122.235 122.235 122.335 -0.100 17995 996 1 3 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.642 -0.057 17995 997 1 3 . 1 1 35 35 ASP C C 13 179.013 179.013 178.638 0.375 17995 998 1 3 . 1 1 35 35 ASP CA C 13 56.916 56.916 57.033 -0.117 17995 999 1 3 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.468 -0.422 17995 1000 1 3 . 1 1 35 35 ASP H H 13 7.968 7.968 7.739 0.229 17995 1001 1 3 . 1 1 36 36 VAL N N 14 120.841 120.841 120.099 0.742 17995 1002 1 3 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.805 -0.128 17995 1003 1 3 . 1 1 36 36 VAL C C 14 177.797 177.797 177.924 -0.127 17995 1004 1 3 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.566 0.438 17995 1005 1 3 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.290 -0.058 17995 1006 1 3 . 1 1 36 36 VAL H H 14 8.765 8.765 8.161 0.604 17995 1007 1 3 . 1 1 37 37 LEU N N 15 114.630 114.630 115.530 -0.900 17995 1008 1 3 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.305 -0.024 17995 1009 1 3 . 1 1 37 37 LEU C C 15 175.483 175.483 176.254 -0.771 17995 1010 1 3 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.728 -0.558 17995 1011 1 3 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.131 -1.437 17995 1012 1 3 . 1 1 37 37 LEU H H 15 7.942 7.942 7.690 0.252 17995 1013 1 3 . 1 1 38 38 ASN N N 16 116.887 116.887 116.481 0.406 17995 1014 1 3 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.547 -0.013 17995 1015 1 3 . 1 1 38 38 ASN C C 16 175.668 175.668 174.588 1.080 17995 1016 1 3 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.944 -0.025 17995 1017 1 3 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.538 -0.680 17995 1018 1 3 . 1 1 38 38 ASN H H 16 7.561 7.561 7.893 -0.332 17995 1019 1 3 . 1 1 39 39 LEU N N 17 114.676 114.676 120.586 -5.910 17995 1020 1 3 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.422 -0.352 17995 1021 1 3 . 1 1 39 39 LEU C C 17 178.415 178.415 178.141 0.274 17995 1022 1 3 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.088 0.656 17995 1023 1 3 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.471 0.805 17995 1024 1 3 . 1 1 39 39 LEU H H 17 8.233 8.233 7.932 0.301 17995 1025 1 3 . 1 1 40 40 GLY N N 18 109.665 109.665 108.306 1.359 17995 1026 1 3 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.786 -0.481 17995 1027 1 3 . 1 1 40 40 GLY H H 18 8.678 8.678 8.160 0.518 17995 1028 1 3 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.371 -0.243 17995 1029 1 3 . 1 1 41 41 GLU C C 19 178.328 178.328 178.258 0.070 17995 1030 1 3 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.333 1.931 17995 1031 1 3 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.054 -0.974 17995 1032 1 3 . 1 1 42 42 ARG N N 20 118.936 118.936 121.420 -2.484 17995 1033 1 3 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.144 0.031 17995 1034 1 3 . 1 1 42 42 ARG C C 20 178.912 178.912 177.811 1.101 17995 1035 1 3 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.732 -0.495 17995 1036 1 3 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.212 -0.156 17995 1037 1 3 . 1 1 42 42 ARG H H 20 7.979 7.979 7.837 0.142 17995 1038 1 3 . 1 1 43 43 LYS N N 21 119.087 119.087 114.689 4.398 17995 1039 1 3 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.107 -0.359 17995 1040 1 3 . 1 1 43 43 LYS C C 21 176.559 176.559 178.969 -2.410 17995 1041 1 3 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.941 0.157 17995 1042 1 3 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.482 0.499 17995 1043 1 3 . 1 1 43 43 LYS H H 21 7.719 7.719 8.302 -0.583 17995 1044 1 3 . 1 1 44 44 HIS N N 22 115.571 115.571 117.993 -2.422 17995 1045 1 3 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.446 -0.018 17995 1046 1 3 . 1 1 44 44 HIS C C 22 176.288 176.288 176.107 0.181 17995 1047 1 3 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.675 -0.891 17995 1048 1 3 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.047 0.423 17995 1049 1 3 . 1 1 44 44 HIS H H 22 7.124 7.124 7.995 -0.871 17995 1050 1 3 . 1 1 45 45 THR N N 23 107.890 107.890 111.842 -3.952 17995 1051 1 3 . 1 1 45 45 THR HA H 23 4.355 4.355 4.291 0.064 17995 1052 1 3 . 1 1 45 45 THR C C 23 174.650 174.650 174.546 0.104 17995 1053 1 3 . 1 1 45 45 THR CA C 23 61.627 61.627 61.855 -0.228 17995 1054 1 3 . 1 1 45 45 THR CB C 23 69.475 69.475 69.025 0.450 17995 1055 1 3 . 1 1 45 45 THR H H 23 7.441 7.441 7.505 -0.064 17995 1056 1 3 . 1 1 46 46 LEU N N 24 121.435 121.435 119.999 1.436 17995 1057 1 3 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.823 -0.200 17995 1058 1 3 . 1 1 46 46 LEU C C 24 176.537 176.537 175.485 1.052 17995 1059 1 3 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.173 1.417 17995 1060 1 3 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.749 -0.632 17995 1061 1 3 . 1 1 46 46 LEU H H 24 7.059 7.059 7.288 -0.229 17995 1062 1 3 . 1 1 47 47 THR N N 25 116.104 116.104 111.902 4.202 17995 1063 1 3 . 1 1 47 47 THR HA H 25 4.605 4.605 4.561 0.044 17995 1064 1 3 . 1 1 47 47 THR C C 25 175.526 175.526 175.301 0.225 17995 1065 1 3 . 1 1 47 47 THR CA C 25 59.878 59.878 59.325 0.553 17995 1066 1 3 . 1 1 47 47 THR CB C 25 71.752 71.752 71.800 -0.048 17995 1067 1 3 . 1 1 47 47 THR H H 25 9.432 9.432 7.883 1.549 17995 1068 1 3 . 1 1 48 48 ALA N N 26 122.234 122.234 122.341 -0.107 17995 1069 1 3 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.166 -0.357 17995 1070 1 3 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.222 0.370 17995 1071 1 3 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.199 0.455 17995 1072 1 3 . 1 1 48 48 ALA H H 26 9.142 9.142 8.493 0.649 17995 1073 1 3 . 1 1 49 49 SER HA H 27 4.448 4.448 4.337 0.111 17995 1074 1 3 . 1 1 49 49 SER C C 27 174.637 174.637 175.043 -0.406 17995 1075 1 3 . 1 1 49 49 SER CA C 27 58.348 58.348 59.483 -1.135 17995 1076 1 3 . 1 1 49 49 SER CB C 27 63.704 63.704 62.620 1.084 17995 1077 1 3 . 1 1 50 50 SER N N 28 122.032 122.032 118.207 3.825 17995 1078 1 3 . 1 1 50 50 SER HA H 28 4.269 4.269 4.427 -0.158 17995 1079 1 3 . 1 1 50 50 SER C C 28 172.904 172.904 174.015 -1.111 17995 1080 1 3 . 1 1 50 50 SER CA C 28 60.846 60.846 58.911 1.935 17995 1081 1 3 . 1 1 50 50 SER CB C 28 63.063 63.063 63.959 -0.896 17995 1082 1 3 . 1 1 50 50 SER H H 28 8.157 8.157 7.433 0.724 17995 1083 1 3 . 1 1 51 51 VAL N N 29 127.079 127.079 125.822 1.257 17995 1084 1 3 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.203 0.139 17995 1085 1 3 . 1 1 51 51 VAL C C 29 176.612 176.612 175.979 0.633 17995 1086 1 3 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.204 -0.756 17995 1087 1 3 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.578 -0.353 17995 1088 1 3 . 1 1 51 51 VAL H H 29 8.505 8.505 8.669 -0.164 17995 1089 1 3 . 1 1 52 52 LEU N N 30 126.014 126.014 124.857 1.157 17995 1090 1 3 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.619 0.176 17995 1091 1 3 . 1 1 52 52 LEU C C 30 176.569 176.569 177.136 -0.567 17995 1092 1 3 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.577 -1.045 17995 1093 1 3 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.015 -2.011 17995 1094 1 3 . 1 1 52 52 LEU H H 30 7.954 7.954 8.494 -0.540 17995 1095 1 3 . 1 1 53 53 LEU N N 31 122.601 122.601 119.391 3.210 17995 1096 1 3 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.981 0.105 17995 1097 1 3 . 1 1 53 53 LEU C C 31 177.683 177.683 177.825 -0.142 17995 1098 1 3 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.592 0.782 17995 1099 1 3 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.174 0.645 17995 1100 1 3 . 1 1 53 53 LEU H H 31 7.777 7.777 7.867 -0.090 17995 1101 1 3 . 1 1 54 54 GLY N N 32 114.941 114.941 113.506 1.435 17995 1102 1 3 . 1 1 54 54 GLY C C 32 173.612 173.612 174.647 -1.035 17995 1103 1 3 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.409 0.149 17995 1104 1 3 . 1 1 54 54 GLY H H 32 9.121 9.121 8.660 0.461 17995 1105 1 3 . 1 1 55 55 ASN N N 33 117.901 117.901 121.760 -3.859 17995 1106 1 3 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.749 0.181 17995 1107 1 3 . 1 1 55 55 ASN C C 33 174.458 174.458 176.103 -1.645 17995 1108 1 3 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.489 -0.670 17995 1109 1 3 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.547 2.000 17995 1110 1 3 . 1 1 55 55 ASN H H 33 7.789 7.789 7.812 -0.023 17995 1111 1 3 . 1 1 56 56 ILE N N 34 120.163 120.163 122.066 -1.903 17995 1112 1 3 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.466 0.071 17995 1113 1 3 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.615 0.385 17995 1114 1 3 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.339 1.754 17995 1115 1 3 . 1 1 56 56 ILE H H 34 7.703 7.703 7.971 -0.268 17995 1116 1 3 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.414 -0.241 17995 1117 1 3 . 1 1 57 57 PRO C C 35 177.969 177.969 176.770 1.199 17995 1118 1 3 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.320 0.956 17995 1119 1 3 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.960 -0.026 17995 1120 1 3 . 1 1 58 58 GLU N N 36 116.701 116.701 116.824 -0.123 17995 1121 1 3 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.317 -0.345 17995 1122 1 3 . 1 1 58 58 GLU C C 36 176.612 176.612 176.116 0.496 17995 1123 1 3 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.890 3.457 17995 1124 1 3 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.314 0.518 17995 1125 1 3 . 1 1 58 58 GLU H H 36 9.581 9.581 8.646 0.935 17995 1126 1 3 . 1 1 59 59 LEU N N 37 121.189 121.189 123.532 -2.343 17995 1127 1 3 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.291 0.021 17995 1128 1 3 . 1 1 59 59 LEU C C 37 173.353 173.353 175.330 -1.977 17995 1129 1 3 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.286 -1.008 17995 1130 1 3 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.300 -0.301 17995 1131 1 3 . 1 1 59 59 LEU H H 37 7.560 7.560 7.269 0.291 17995 1132 1 3 . 1 1 60 60 ASP N N 38 126.468 126.468 124.332 2.136 17995 1133 1 3 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.717 -0.002 17995 1134 1 3 . 1 1 60 60 ASP C C 38 175.828 175.828 177.136 -1.308 17995 1135 1 3 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.956 -1.036 17995 1136 1 3 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.767 -2.211 17995 1137 1 3 . 1 1 60 60 ASP H H 38 7.527 7.527 7.743 -0.216 17995 1138 1 3 . 1 1 61 61 SER N N 39 113.128 113.128 116.397 -3.269 17995 1139 1 3 . 1 1 61 61 SER HA H 39 4.019 4.019 4.083 -0.064 17995 1140 1 3 . 1 1 61 61 SER C C 39 175.854 175.854 176.929 -1.075 17995 1141 1 3 . 1 1 61 61 SER CA C 39 61.276 61.276 61.780 -0.504 17995 1142 1 3 . 1 1 61 61 SER CB C 39 65.520 65.520 62.986 2.534 17995 1143 1 3 . 1 1 61 61 SER H H 39 8.623 8.623 8.529 0.094 17995 1144 1 3 . 1 1 62 62 MET N N 40 121.706 121.706 118.067 3.639 17995 1145 1 3 . 1 1 62 62 MET HA H 40 4.303 4.303 4.255 0.048 17995 1146 1 3 . 1 1 62 62 MET C C 40 177.755 177.755 178.012 -0.257 17995 1147 1 3 . 1 1 62 62 MET CA C 40 57.714 57.714 56.813 0.901 17995 1148 1 3 . 1 1 62 62 MET CB C 40 32.386 32.386 31.582 0.804 17995 1149 1 3 . 1 1 62 62 MET H H 40 7.802 7.802 8.061 -0.259 17995 1150 1 3 . 1 1 63 63 ALA N N 41 124.277 124.277 122.032 2.245 17995 1151 1 3 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.079 0.092 17995 1152 1 3 . 1 1 63 63 ALA C C 41 179.893 179.893 179.399 0.494 17995 1153 1 3 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.965 0.136 17995 1154 1 3 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.995 1.661 17995 1155 1 3 . 1 1 63 63 ALA H H 41 8.295 8.295 7.982 0.313 17995 1156 1 3 . 1 1 64 64 VAL N N 42 118.186 118.186 115.135 3.051 17995 1157 1 3 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.304 -0.311 17995 1158 1 3 . 1 1 64 64 VAL C C 42 177.327 177.327 177.507 -0.180 17995 1159 1 3 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.553 1.759 17995 1160 1 3 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.009 0.183 17995 1161 1 3 . 1 1 64 64 VAL H H 42 8.019 8.019 7.644 0.375 17995 1162 1 3 . 1 1 65 65 VAL N N 43 118.361 118.361 121.611 -3.250 17995 1163 1 3 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.457 0.107 17995 1164 1 3 . 1 1 65 65 VAL C C 43 178.520 178.520 178.109 0.411 17995 1165 1 3 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.574 -0.017 17995 1166 1 3 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.177 0.323 17995 1167 1 3 . 1 1 65 65 VAL H H 43 6.942 6.942 7.442 -0.500 17995 1168 1 3 . 1 1 66 66 ASN N N 44 119.476 119.476 118.397 1.079 17995 1169 1 3 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.455 0.107 17995 1170 1 3 . 1 1 66 66 ASN C C 44 178.760 178.760 178.105 0.655 17995 1171 1 3 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.275 -0.439 17995 1172 1 3 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.236 -0.429 17995 1173 1 3 . 1 1 66 66 ASN H H 44 7.789 7.789 7.908 -0.119 17995 1174 1 3 . 1 1 67 67 VAL N N 45 124.029 124.029 116.381 7.648 17995 1175 1 3 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.858 -0.240 17995 1176 1 3 . 1 1 67 67 VAL C C 45 177.100 177.100 177.849 -0.749 17995 1177 1 3 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.858 1.508 17995 1178 1 3 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.556 -0.096 17995 1179 1 3 . 1 1 67 67 VAL H H 45 9.055 9.055 7.634 1.421 17995 1180 1 3 . 1 1 68 68 ILE N N 46 121.006 121.006 122.241 -1.235 17995 1181 1 3 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.657 0.131 17995 1182 1 3 . 1 1 68 68 ILE C C 46 177.871 177.871 177.921 -0.050 17995 1183 1 3 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.701 -0.438 17995 1184 1 3 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.623 -1.456 17995 1185 1 3 . 1 1 68 68 ILE H H 46 8.509 8.509 7.993 0.516 17995 1186 1 3 . 1 1 69 69 THR N N 47 116.096 116.096 116.798 -0.702 17995 1187 1 3 . 1 1 69 69 THR HA H 47 4.391 4.391 4.082 0.309 17995 1188 1 3 . 1 1 69 69 THR C C 47 176.365 176.365 176.653 -0.288 17995 1189 1 3 . 1 1 69 69 THR CA C 47 66.256 66.256 66.710 -0.455 17995 1190 1 3 . 1 1 69 69 THR CB C 47 69.098 69.098 68.743 0.355 17995 1191 1 3 . 1 1 69 69 THR H H 47 8.512 8.512 7.909 0.603 17995 1192 1 3 . 1 1 70 70 ALA N N 48 123.948 123.948 124.318 -0.370 17995 1193 1 3 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.224 0.079 17995 1194 1 3 . 1 1 70 70 ALA C C 48 181.452 181.452 179.561 1.891 17995 1195 1 3 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.246 -0.063 17995 1196 1 3 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.122 1.300 17995 1197 1 3 . 1 1 70 70 ALA H H 48 7.802 7.802 7.850 -0.048 17995 1198 1 3 . 1 1 71 71 LEU N N 49 121.199 121.199 119.449 1.750 17995 1199 1 3 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.042 0.181 17995 1200 1 3 . 1 1 71 71 LEU C C 49 178.192 178.192 179.385 -1.193 17995 1201 1 3 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.330 0.231 17995 1202 1 3 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.919 1.532 17995 1203 1 3 . 1 1 71 71 LEU H H 49 8.802 8.802 8.256 0.546 17995 1204 1 3 . 1 1 72 72 GLU N N 50 119.782 119.782 118.249 1.533 17995 1205 1 3 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.418 0.072 17995 1206 1 3 . 1 1 72 72 GLU C C 50 180.303 180.303 179.552 0.751 17995 1207 1 3 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.409 0.442 17995 1208 1 3 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.124 1.984 17995 1209 1 3 . 1 1 72 72 GLU H H 50 8.762 8.762 8.100 0.662 17995 1210 1 3 . 1 1 73 73 GLU N N 51 116.902 116.902 119.342 -2.440 17995 1211 1 3 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.186 -0.134 17995 1212 1 3 . 1 1 73 73 GLU C C 51 178.334 178.334 178.713 -0.379 17995 1213 1 3 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.786 -0.168 17995 1214 1 3 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.682 0.400 17995 1215 1 3 . 1 1 73 73 GLU H H 51 7.953 7.953 8.053 -0.100 17995 1216 1 3 . 1 1 74 74 TYR N N 52 119.999 119.999 118.054 1.945 17995 1217 1 3 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.291 -0.409 17995 1218 1 3 . 1 1 74 74 TYR C C 52 177.384 177.384 178.154 -0.770 17995 1219 1 3 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.877 0.723 17995 1220 1 3 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.530 1.115 17995 1221 1 3 . 1 1 74 74 TYR H H 52 8.078 8.078 8.389 -0.311 17995 1222 1 3 . 1 1 75 75 PHE N N 53 113.650 113.650 114.327 -0.677 17995 1223 1 3 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.548 -0.362 17995 1224 1 3 . 1 1 75 75 PHE C C 53 174.485 174.485 175.539 -1.054 17995 1225 1 3 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.444 -0.200 17995 1226 1 3 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.497 0.543 17995 1227 1 3 . 1 1 75 75 PHE H H 53 8.244 8.244 8.331 -0.087 17995 1228 1 3 . 1 1 76 76 ASP N N 54 119.712 119.712 117.823 1.889 17995 1229 1 3 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.533 -0.153 17995 1230 1 3 . 1 1 76 76 ASP C C 54 174.118 174.118 175.325 -1.207 17995 1231 1 3 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.646 -0.783 17995 1232 1 3 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.078 0.078 17995 1233 1 3 . 1 1 76 76 ASP H H 54 7.596 7.596 8.203 -0.607 17995 1234 1 3 . 1 1 77 77 PHE N N 55 113.804 113.804 116.928 -3.124 17995 1235 1 3 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.843 0.232 17995 1236 1 3 . 1 1 77 77 PHE C C 55 174.384 174.384 173.313 1.071 17995 1237 1 3 . 1 1 77 77 PHE CA C 55 54.436 54.436 56.157 -1.721 17995 1238 1 3 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.593 0.037 17995 1239 1 3 . 1 1 77 77 PHE H H 55 7.725 7.725 7.900 -0.175 17995 1240 1 3 . 1 1 78 78 SER N N 56 114.319 114.319 116.252 -1.933 17995 1241 1 3 . 1 1 78 78 SER HA H 56 5.149 5.149 4.682 0.467 17995 1242 1 3 . 1 1 78 78 SER C C 56 174.100 174.100 173.084 1.016 17995 1243 1 3 . 1 1 78 78 SER CA C 56 56.800 56.800 57.435 -0.635 17995 1244 1 3 . 1 1 78 78 SER CB C 56 65.011 65.011 64.874 0.137 17995 1245 1 3 . 1 1 78 78 SER H H 56 8.727 8.727 8.352 0.375 17995 1246 1 3 . 1 1 79 79 VAL N N 57 128.316 128.316 125.220 3.096 17995 1247 1 3 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.967 0.277 17995 1248 1 3 . 1 1 79 79 VAL C C 57 175.637 175.637 175.357 0.280 17995 1249 1 3 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.850 -1.096 17995 1250 1 3 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.965 0.908 17995 1251 1 3 . 1 1 79 79 VAL H H 57 10.222 10.222 8.101 2.121 17995 1252 1 3 . 1 1 80 80 ASP N N 58 130.058 130.058 127.063 2.995 17995 1253 1 3 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.676 0.170 17995 1254 1 3 . 1 1 80 80 ASP C C 58 177.205 177.205 176.952 0.253 17995 1255 1 3 . 1 1 80 80 ASP CA C 58 53.476 53.476 53.337 0.139 17995 1256 1 3 . 1 1 80 80 ASP CB C 58 42.665 42.665 44.069 -1.404 17995 1257 1 3 . 1 1 80 80 ASP H H 58 9.396 9.396 8.301 1.095 17995 1258 1 3 . 1 1 81 81 ASP N N 59 122.564 122.564 123.754 -1.190 17995 1259 1 3 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.412 -0.132 17995 1260 1 3 . 1 1 81 81 ASP C C 59 177.291 177.291 177.499 -0.208 17995 1261 1 3 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.822 0.638 17995 1262 1 3 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.066 -0.337 17995 1263 1 3 . 1 1 81 81 ASP H H 59 8.696 8.696 8.727 -0.031 17995 1264 1 3 . 1 1 82 82 ASP N N 60 115.817 115.817 119.130 -3.313 17995 1265 1 3 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.471 0.088 17995 1266 1 3 . 1 1 82 82 ASP C C 60 176.939 176.939 177.639 -0.700 17995 1267 1 3 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.460 -1.599 17995 1268 1 3 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.198 -0.783 17995 1269 1 3 . 1 1 82 82 ASP H H 60 8.460 8.460 8.089 0.371 17995 1270 1 3 . 1 1 83 83 GLU N N 61 118.478 118.478 115.267 3.211 17995 1271 1 3 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.440 -0.139 17995 1272 1 3 . 1 1 83 83 GLU C C 61 175.841 175.841 176.005 -0.164 17995 1273 1 3 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.904 0.400 17995 1274 1 3 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.726 0.765 17995 1275 1 3 . 1 1 83 83 GLU H H 61 7.903 7.903 7.788 0.115 17995 1276 1 3 . 1 1 84 84 ILE N N 62 117.759 117.759 121.404 -3.645 17995 1277 1 3 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.833 0.332 17995 1278 1 3 . 1 1 84 84 ILE C C 62 174.069 174.069 175.392 -1.323 17995 1279 1 3 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.949 -2.455 17995 1280 1 3 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.887 1.248 17995 1281 1 3 . 1 1 84 84 ILE H H 62 7.396 7.396 7.152 0.244 17995 1282 1 3 . 1 1 85 85 SER N N 63 119.980 119.980 122.277 -2.297 17995 1283 1 3 . 1 1 85 85 SER HA H 63 4.789 4.789 4.730 0.059 17995 1284 1 3 . 1 1 85 85 SER CA C 63 56.772 56.772 57.050 -0.278 17995 1285 1 3 . 1 1 85 85 SER CB C 63 66.916 66.916 65.370 1.546 17995 1286 1 3 . 1 1 85 85 SER H H 63 8.384 8.384 8.381 0.003 17995 1287 1 3 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.328 -0.301 17995 1288 1 3 . 1 1 86 86 ALA C C 64 180.211 180.211 179.586 0.625 17995 1289 1 3 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.819 0.682 17995 1290 1 3 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.570 -0.560 17995 1291 1 3 . 1 1 87 87 GLN N N 65 116.123 116.123 114.594 1.529 17995 1292 1 3 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.208 -0.143 17995 1293 1 3 . 1 1 87 87 GLN C C 65 178.564 178.564 176.599 1.965 17995 1294 1 3 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.346 1.393 17995 1295 1 3 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.997 0.446 17995 1296 1 3 . 1 1 87 87 GLN H H 65 7.990 7.990 8.049 -0.059 17995 1297 1 3 . 1 1 88 88 THR N N 66 119.153 119.153 113.814 5.339 17995 1298 1 3 . 1 1 88 88 THR HA H 66 3.631 3.631 4.221 -0.590 17995 1299 1 3 . 1 1 88 88 THR C C 66 174.748 174.748 174.515 0.233 17995 1300 1 3 . 1 1 88 88 THR CA C 66 66.591 66.591 65.540 1.051 17995 1301 1 3 . 1 1 88 88 THR CB C 66 68.702 68.702 68.932 -0.230 17995 1302 1 3 . 1 1 88 88 THR H H 66 7.738 7.738 7.423 0.315 17995 1303 1 3 . 1 1 89 89 PHE N N 67 115.088 115.088 117.233 -2.145 17995 1304 1 3 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.684 -0.447 17995 1305 1 3 . 1 1 89 89 PHE C C 67 173.600 173.600 176.874 -3.274 17995 1306 1 3 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.743 -0.221 17995 1307 1 3 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.656 1.050 17995 1308 1 3 . 1 1 89 89 PHE H H 67 7.180 7.180 7.466 -0.286 17995 1309 1 3 . 1 1 90 90 GLU N N 68 122.222 122.222 119.835 2.387 17995 1310 1 3 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.122 0.045 17995 1311 1 3 . 1 1 90 90 GLU C C 68 178.581 178.581 176.744 1.837 17995 1312 1 3 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.213 1.513 17995 1313 1 3 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.706 1.042 17995 1314 1 3 . 1 1 90 90 GLU H H 68 7.421 7.421 8.336 -0.915 17995 1315 1 3 . 1 1 91 91 THR N N 69 106.383 106.383 107.087 -0.704 17995 1316 1 3 . 1 1 91 91 THR HA H 69 5.477 5.477 4.945 0.532 17995 1317 1 3 . 1 1 91 91 THR C C 69 174.775 174.775 174.604 0.171 17995 1318 1 3 . 1 1 91 91 THR CA C 69 58.798 58.798 59.108 -0.310 17995 1319 1 3 . 1 1 91 91 THR CB C 69 74.841 74.841 72.925 1.916 17995 1320 1 3 . 1 1 91 91 THR H H 69 8.534 8.534 7.255 1.279 17995 1321 1 3 . 1 1 92 92 LEU N N 70 120.326 120.326 122.265 -1.939 17995 1322 1 3 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.143 0.000 17995 1323 1 3 . 1 1 92 92 LEU C C 70 178.174 178.174 178.272 -0.098 17995 1324 1 3 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.380 0.886 17995 1325 1 3 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.047 -1.177 17995 1326 1 3 . 1 1 92 92 LEU H H 70 7.991 7.991 8.364 -0.373 17995 1327 1 3 . 1 1 93 93 GLY N N 71 106.588 106.588 105.199 1.389 17995 1328 1 3 . 1 1 93 93 GLY C C 71 175.300 175.300 176.105 -0.805 17995 1329 1 3 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.296 0.041 17995 1330 1 3 . 1 1 93 93 GLY H H 71 9.019 9.019 8.407 0.612 17995 1331 1 3 . 1 1 94 94 SER N N 72 120.200 120.200 118.546 1.654 17995 1332 1 3 . 1 1 94 94 SER HA H 72 4.090 4.090 4.224 -0.134 17995 1333 1 3 . 1 1 94 94 SER C C 72 177.631 177.631 176.337 1.294 17995 1334 1 3 . 1 1 94 94 SER CA C 72 62.329 62.329 62.286 0.043 17995 1335 1 3 . 1 1 94 94 SER H H 72 8.709 8.709 7.442 1.267 17995 1336 1 3 . 1 1 95 95 LEU N N 73 129.169 129.169 121.462 7.707 17995 1337 1 3 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.055 0.185 17995 1338 1 3 . 1 1 95 95 LEU C C 73 176.439 176.439 179.000 -2.561 17995 1339 1 3 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.359 0.443 17995 1340 1 3 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.373 1.486 17995 1341 1 3 . 1 1 95 95 LEU H H 73 7.800 7.800 7.498 0.302 17995 1342 1 3 . 1 1 96 96 ALA N N 74 121.721 121.721 122.185 -0.464 17995 1343 1 3 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.957 0.032 17995 1344 1 3 . 1 1 96 96 ALA C C 74 180.456 180.456 179.788 0.668 17995 1345 1 3 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.197 0.505 17995 1346 1 3 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.314 -0.598 17995 1347 1 3 . 1 1 96 96 ALA H H 74 8.612 8.612 8.025 0.587 17995 1348 1 3 . 1 1 97 97 LEU N N 75 122.095 122.095 119.423 2.672 17995 1349 1 3 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.908 0.149 17995 1350 1 3 . 1 1 97 97 LEU C C 75 178.805 178.805 179.204 -0.399 17995 1351 1 3 . 1 1 97 97 LEU CA C 75 57.769 57.769 58.004 -0.235 17995 1352 1 3 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.788 1.034 17995 1353 1 3 . 1 1 97 97 LEU H H 75 8.777 8.777 7.915 0.862 17995 1354 1 3 . 1 1 98 98 PHE N N 76 122.741 122.741 117.622 5.119 17995 1355 1 3 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.155 0.107 17995 1356 1 3 . 1 1 98 98 PHE C C 76 176.878 176.878 178.521 -1.643 17995 1357 1 3 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.801 -1.569 17995 1358 1 3 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.351 0.198 17995 1359 1 3 . 1 1 98 98 PHE H H 76 7.889 7.889 8.004 -0.115 17995 1360 1 3 . 1 1 99 99 VAL N N 77 119.641 119.641 115.024 4.617 17995 1361 1 3 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.265 -0.487 17995 1362 1 3 . 1 1 99 99 VAL C C 77 176.414 176.414 177.561 -1.147 17995 1363 1 3 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.998 0.970 17995 1364 1 3 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.978 0.208 17995 1365 1 3 . 1 1 99 99 VAL H H 77 7.599 7.599 8.172 -0.573 17995 1366 1 3 . 1 1 100 100 GLU N N 78 118.850 118.850 121.918 -3.068 17995 1367 1 3 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.120 -0.347 17995 1368 1 3 . 1 1 100 100 GLU C C 78 179.007 179.007 179.095 -0.088 17995 1369 1 3 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.214 0.326 17995 1370 1 3 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.830 0.948 17995 1371 1 3 . 1 1 100 100 GLU H H 78 7.740 7.740 8.160 -0.420 17995 1372 1 3 . 1 1 101 101 HIS N N 79 120.328 120.328 117.737 2.591 17995 1373 1 3 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.362 -0.161 17995 1374 1 3 . 1 1 101 101 HIS C C 79 178.242 178.242 177.912 0.330 17995 1375 1 3 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.433 -0.195 17995 1376 1 3 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.843 0.095 17995 1377 1 3 . 1 1 101 101 HIS H H 79 8.354 8.354 7.823 0.531 17995 1378 1 3 . 1 1 102 102 LYS N N 80 121.044 121.044 118.905 2.139 17995 1379 1 3 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.206 -0.639 17995 1380 1 3 . 1 1 102 102 LYS C C 80 179.199 179.199 178.802 0.397 17995 1381 1 3 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.084 -1.097 17995 1382 1 3 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.833 -1.657 17995 1383 1 3 . 1 1 102 102 LYS H H 80 7.908 7.908 7.812 0.096 17995 1384 1 3 . 1 1 103 103 LEU N N 81 118.698 118.698 118.538 0.160 17995 1385 1 3 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.229 -0.071 17995 1386 1 3 . 1 1 103 103 LEU C C 81 178.593 178.593 178.572 0.021 17995 1387 1 3 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.949 0.447 17995 1388 1 3 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.792 1.517 17995 1389 1 3 . 1 1 103 103 LEU H H 81 7.784 7.784 7.838 -0.054 17995 1390 1 3 . 1 1 104 104 SER N N 82 114.826 114.826 113.652 1.174 17995 1391 1 3 . 1 1 104 104 SER HA H 82 4.358 4.358 4.278 0.080 17995 1392 1 3 . 1 1 104 104 SER C C 82 174.810 174.810 174.125 0.685 17995 1393 1 3 . 1 1 104 104 SER CA C 82 59.567 59.567 60.420 -0.853 17995 1394 1 3 . 1 1 104 104 SER CB C 82 63.859 63.859 63.688 0.171 17995 1395 1 3 . 1 1 104 104 SER H H 82 7.738 7.738 7.809 -0.071 17995 1396 1 4 . 1 1 24 24 GLN N N 2 121.730 121.730 122.476 -0.746 17995 1397 1 4 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.417 -0.455 17995 1398 1 4 . 1 1 24 24 GLN C C 2 177.291 177.291 176.883 0.408 17995 1399 1 4 . 1 1 24 24 GLN CA C 2 58.391 58.391 56.677 1.714 17995 1400 1 4 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.430 -0.720 17995 1401 1 4 . 1 1 24 24 GLN H H 2 8.511 8.511 9.294 -0.783 17995 1402 1 4 . 1 1 25 25 HIS N N 3 116.878 116.878 118.912 -2.034 17995 1403 1 4 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.717 0.386 17995 1404 1 4 . 1 1 25 25 HIS C C 3 175.501 175.501 176.778 -1.277 17995 1405 1 4 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.836 -1.489 17995 1406 1 4 . 1 1 25 25 HIS CB C 3 30.627 30.627 31.270 -0.643 17995 1407 1 4 . 1 1 25 25 HIS H H 3 8.216 8.216 8.185 0.031 17995 1408 1 4 . 1 1 26 26 LEU N N 4 121.540 121.540 118.957 2.583 17995 1409 1 4 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.129 -0.436 17995 1410 1 4 . 1 1 26 26 LEU C C 4 177.649 177.649 178.176 -0.527 17995 1411 1 4 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.305 1.398 17995 1412 1 4 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.296 1.039 17995 1413 1 4 . 1 1 26 26 LEU H H 4 7.447 7.447 8.245 -0.798 17995 1414 1 4 . 1 1 27 27 GLU N N 5 118.441 118.441 120.169 -1.728 17995 1415 1 4 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.961 -0.070 17995 1416 1 4 . 1 1 27 27 GLU C C 5 178.162 178.162 178.286 -0.124 17995 1417 1 4 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.268 0.354 17995 1418 1 4 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.377 -0.300 17995 1419 1 4 . 1 1 27 27 GLU H H 5 8.561 8.561 8.455 0.106 17995 1420 1 4 . 1 1 28 28 ALA N N 6 122.005 122.005 121.994 0.011 17995 1421 1 4 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.182 -0.050 17995 1422 1 4 . 1 1 28 28 ALA C C 6 180.421 180.421 180.115 0.306 17995 1423 1 4 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.875 0.404 17995 1424 1 4 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.323 0.444 17995 1425 1 4 . 1 1 28 28 ALA H H 6 8.205 8.205 7.711 0.494 17995 1426 1 4 . 1 1 29 29 VAL N N 7 116.985 116.985 119.696 -2.711 17995 1427 1 4 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.698 -0.189 17995 1428 1 4 . 1 1 29 29 VAL C C 7 177.034 177.034 177.690 -0.656 17995 1429 1 4 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.747 -0.384 17995 1430 1 4 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.622 -0.183 17995 1431 1 4 . 1 1 29 29 VAL H H 7 8.392 8.392 8.130 0.262 17995 1432 1 4 . 1 1 30 30 ARG N N 8 121.674 121.674 119.415 2.259 17995 1433 1 4 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.024 -0.360 17995 1434 1 4 . 1 1 30 30 ARG C C 8 177.810 177.810 178.407 -0.597 17995 1435 1 4 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.350 1.175 17995 1436 1 4 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.417 1.249 17995 1437 1 4 . 1 1 30 30 ARG H H 8 8.784 8.784 8.389 0.395 17995 1438 1 4 . 1 1 31 31 ASN N N 9 118.102 118.102 118.850 -0.748 17995 1439 1 4 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.525 -0.241 17995 1440 1 4 . 1 1 31 31 ASN C C 9 177.890 177.890 177.360 0.530 17995 1441 1 4 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.145 0.109 17995 1442 1 4 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.249 -0.661 17995 1443 1 4 . 1 1 31 31 ASN H H 9 8.144 8.144 7.888 0.256 17995 1444 1 4 . 1 1 32 32 ILE N N 10 123.614 123.614 120.379 3.235 17995 1445 1 4 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.668 0.124 17995 1446 1 4 . 1 1 32 32 ILE C C 10 177.810 177.810 177.824 -0.014 17995 1447 1 4 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.374 -0.116 17995 1448 1 4 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.092 0.642 17995 1449 1 4 . 1 1 32 32 ILE H H 10 8.137 8.137 7.793 0.344 17995 1450 1 4 . 1 1 33 33 LEU N N 11 119.797 119.797 120.011 -0.214 17995 1451 1 4 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.006 -0.220 17995 1452 1 4 . 1 1 33 33 LEU C C 11 179.039 179.039 179.485 -0.446 17995 1453 1 4 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.074 0.636 17995 1454 1 4 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.453 0.623 17995 1455 1 4 . 1 1 33 33 LEU H H 11 8.637 8.637 8.492 0.145 17995 1456 1 4 . 1 1 34 34 GLY N N 12 103.682 103.682 105.483 -1.801 17995 1457 1 4 . 1 1 34 34 GLY C C 12 175.242 175.242 175.198 0.044 17995 1458 1 4 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.892 0.826 17995 1459 1 4 . 1 1 34 34 GLY H H 12 8.513 8.513 8.346 0.167 17995 1460 1 4 . 1 1 35 35 ASP N N 13 122.235 122.235 122.061 0.174 17995 1461 1 4 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.549 0.036 17995 1462 1 4 . 1 1 35 35 ASP C C 13 179.013 179.013 178.422 0.591 17995 1463 1 4 . 1 1 35 35 ASP CA C 13 56.916 56.916 57.045 -0.129 17995 1464 1 4 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.284 -0.238 17995 1465 1 4 . 1 1 35 35 ASP H H 13 7.968 7.968 7.675 0.293 17995 1466 1 4 . 1 1 36 36 VAL N N 14 120.841 120.841 120.449 0.392 17995 1467 1 4 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.843 -0.166 17995 1468 1 4 . 1 1 36 36 VAL C C 14 177.797 177.797 177.831 -0.034 17995 1469 1 4 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.768 0.236 17995 1470 1 4 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.163 0.068 17995 1471 1 4 . 1 1 36 36 VAL H H 14 8.765 8.765 8.205 0.560 17995 1472 1 4 . 1 1 37 37 LEU N N 15 114.630 114.630 115.890 -1.260 17995 1473 1 4 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.337 -0.056 17995 1474 1 4 . 1 1 37 37 LEU C C 15 175.483 175.483 176.378 -0.895 17995 1475 1 4 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.531 -0.361 17995 1476 1 4 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.053 -0.359 17995 1477 1 4 . 1 1 37 37 LEU H H 15 7.942 7.942 7.948 -0.006 17995 1478 1 4 . 1 1 38 38 ASN N N 16 116.887 116.887 115.798 1.089 17995 1479 1 4 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.522 0.012 17995 1480 1 4 . 1 1 38 38 ASN C C 16 175.668 175.668 175.204 0.464 17995 1481 1 4 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.709 0.211 17995 1482 1 4 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.786 -0.928 17995 1483 1 4 . 1 1 38 38 ASN H H 16 7.561 7.561 7.924 -0.363 17995 1484 1 4 . 1 1 39 39 LEU N N 17 114.676 114.676 120.470 -5.794 17995 1485 1 4 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.362 -0.292 17995 1486 1 4 . 1 1 39 39 LEU C C 17 178.415 178.415 178.235 0.180 17995 1487 1 4 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.553 0.191 17995 1488 1 4 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.505 0.771 17995 1489 1 4 . 1 1 39 39 LEU H H 17 8.233 8.233 8.018 0.215 17995 1490 1 4 . 1 1 40 40 GLY N N 18 109.665 109.665 108.267 1.398 17995 1491 1 4 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.834 -0.528 17995 1492 1 4 . 1 1 40 40 GLY H H 18 8.678 8.678 8.024 0.654 17995 1493 1 4 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.283 -0.155 17995 1494 1 4 . 1 1 41 41 GLU C C 19 178.328 178.328 178.119 0.209 17995 1495 1 4 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.158 1.106 17995 1496 1 4 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.690 -0.610 17995 1497 1 4 . 1 1 42 42 ARG N N 20 118.936 118.936 119.495 -0.559 17995 1498 1 4 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.115 0.060 17995 1499 1 4 . 1 1 42 42 ARG C C 20 178.912 178.912 177.774 1.138 17995 1500 1 4 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.540 -0.303 17995 1501 1 4 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.325 -0.269 17995 1502 1 4 . 1 1 42 42 ARG H H 20 7.979 7.979 7.729 0.250 17995 1503 1 4 . 1 1 43 43 LYS N N 21 119.087 119.087 114.364 4.723 17995 1504 1 4 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.092 -0.344 17995 1505 1 4 . 1 1 43 43 LYS C C 21 176.559 176.559 177.427 -0.868 17995 1506 1 4 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.657 0.441 17995 1507 1 4 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.647 0.334 17995 1508 1 4 . 1 1 43 43 LYS H H 21 7.719 7.719 7.942 -0.223 17995 1509 1 4 . 1 1 44 44 HIS N N 22 115.571 115.571 118.579 -3.008 17995 1510 1 4 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.458 -0.030 17995 1511 1 4 . 1 1 44 44 HIS C C 22 176.288 176.288 175.995 0.293 17995 1512 1 4 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.128 -0.344 17995 1513 1 4 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.968 -0.498 17995 1514 1 4 . 1 1 44 44 HIS H H 22 7.124 7.124 7.717 -0.593 17995 1515 1 4 . 1 1 45 45 THR N N 23 107.890 107.890 113.335 -5.445 17995 1516 1 4 . 1 1 45 45 THR HA H 23 4.355 4.355 4.078 0.277 17995 1517 1 4 . 1 1 45 45 THR C C 23 174.650 174.650 174.836 -0.186 17995 1518 1 4 . 1 1 45 45 THR CA C 23 61.627 61.627 62.583 -0.956 17995 1519 1 4 . 1 1 45 45 THR CB C 23 69.475 69.475 68.945 0.530 17995 1520 1 4 . 1 1 45 45 THR H H 23 7.441 7.441 7.450 -0.009 17995 1521 1 4 . 1 1 46 46 LEU N N 24 121.435 121.435 119.921 1.514 17995 1522 1 4 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.903 -0.280 17995 1523 1 4 . 1 1 46 46 LEU C C 24 176.537 176.537 175.571 0.966 17995 1524 1 4 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.083 1.507 17995 1525 1 4 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.600 0.517 17995 1526 1 4 . 1 1 46 46 LEU H H 24 7.059 7.059 7.440 -0.381 17995 1527 1 4 . 1 1 47 47 THR N N 25 116.104 116.104 110.371 5.733 17995 1528 1 4 . 1 1 47 47 THR HA H 25 4.605 4.605 4.615 -0.010 17995 1529 1 4 . 1 1 47 47 THR C C 25 175.526 175.526 175.509 0.017 17995 1530 1 4 . 1 1 47 47 THR CA C 25 59.878 59.878 59.846 0.032 17995 1531 1 4 . 1 1 47 47 THR CB C 25 71.752 71.752 70.830 0.922 17995 1532 1 4 . 1 1 47 47 THR H H 25 9.432 9.432 7.901 1.531 17995 1533 1 4 . 1 1 48 48 ALA N N 26 122.234 122.234 120.813 1.421 17995 1534 1 4 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.196 -0.387 17995 1535 1 4 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.570 1.023 17995 1536 1 4 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.428 0.226 17995 1537 1 4 . 1 1 48 48 ALA H H 26 9.142 9.142 8.562 0.580 17995 1538 1 4 . 1 1 49 49 SER HA H 27 4.448 4.448 4.451 -0.003 17995 1539 1 4 . 1 1 49 49 SER C C 27 174.637 174.637 173.909 0.728 17995 1540 1 4 . 1 1 49 49 SER CA C 27 58.348 58.348 57.345 1.003 17995 1541 1 4 . 1 1 49 49 SER CB C 27 63.704 63.704 62.956 0.748 17995 1542 1 4 . 1 1 50 50 SER N N 28 122.032 122.032 118.795 3.237 17995 1543 1 4 . 1 1 50 50 SER HA H 28 4.269 4.269 4.487 -0.218 17995 1544 1 4 . 1 1 50 50 SER C C 28 172.904 172.904 174.056 -1.152 17995 1545 1 4 . 1 1 50 50 SER CA C 28 60.846 60.846 58.230 2.616 17995 1546 1 4 . 1 1 50 50 SER CB C 28 63.063 63.063 63.563 -0.500 17995 1547 1 4 . 1 1 50 50 SER H H 28 8.157 8.157 7.588 0.569 17995 1548 1 4 . 1 1 51 51 VAL N N 29 127.079 127.079 125.741 1.338 17995 1549 1 4 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.153 0.189 17995 1550 1 4 . 1 1 51 51 VAL C C 29 176.612 176.612 175.939 0.673 17995 1551 1 4 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.932 -0.484 17995 1552 1 4 . 1 1 51 51 VAL CB C 29 32.225 32.225 31.857 0.368 17995 1553 1 4 . 1 1 51 51 VAL H H 29 8.505 8.505 8.696 -0.191 17995 1554 1 4 . 1 1 52 52 LEU N N 30 126.014 126.014 123.299 2.715 17995 1555 1 4 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.576 0.219 17995 1556 1 4 . 1 1 52 52 LEU C C 30 176.569 176.569 177.679 -1.110 17995 1557 1 4 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.732 -1.200 17995 1558 1 4 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.266 -2.262 17995 1559 1 4 . 1 1 52 52 LEU H H 30 7.954 7.954 7.872 0.082 17995 1560 1 4 . 1 1 53 53 LEU N N 31 122.601 122.601 119.036 3.565 17995 1561 1 4 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.931 0.155 17995 1562 1 4 . 1 1 53 53 LEU C C 31 177.683 177.683 178.257 -0.574 17995 1563 1 4 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.534 0.840 17995 1564 1 4 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.065 0.754 17995 1565 1 4 . 1 1 53 53 LEU H H 31 7.777 7.777 7.676 0.101 17995 1566 1 4 . 1 1 54 54 GLY N N 32 114.941 114.941 113.467 1.474 17995 1567 1 4 . 1 1 54 54 GLY C C 32 173.612 173.612 174.552 -0.940 17995 1568 1 4 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.863 -0.305 17995 1569 1 4 . 1 1 54 54 GLY H H 32 9.121 9.121 9.096 0.025 17995 1570 1 4 . 1 1 55 55 ASN N N 33 117.901 117.901 119.062 -1.161 17995 1571 1 4 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.731 0.199 17995 1572 1 4 . 1 1 55 55 ASN C C 33 174.458 174.458 175.866 -1.408 17995 1573 1 4 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.057 -0.238 17995 1574 1 4 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.170 2.377 17995 1575 1 4 . 1 1 55 55 ASN H H 33 7.789 7.789 8.075 -0.286 17995 1576 1 4 . 1 1 56 56 ILE N N 34 120.163 120.163 122.700 -2.537 17995 1577 1 4 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.398 0.139 17995 1578 1 4 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.792 0.209 17995 1579 1 4 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.445 1.648 17995 1580 1 4 . 1 1 56 56 ILE H H 34 7.703 7.703 7.882 -0.179 17995 1581 1 4 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.487 -0.314 17995 1582 1 4 . 1 1 57 57 PRO C C 35 177.969 177.969 176.772 1.197 17995 1583 1 4 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.118 1.158 17995 1584 1 4 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.038 -0.104 17995 1585 1 4 . 1 1 58 58 GLU N N 36 116.701 116.701 117.650 -0.949 17995 1586 1 4 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.366 -0.394 17995 1587 1 4 . 1 1 58 58 GLU C C 36 176.612 176.612 175.660 0.952 17995 1588 1 4 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.016 3.331 17995 1589 1 4 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.209 0.624 17995 1590 1 4 . 1 1 58 58 GLU H H 36 9.581 9.581 8.308 1.273 17995 1591 1 4 . 1 1 59 59 LEU N N 37 121.189 121.189 124.064 -2.875 17995 1592 1 4 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.284 0.028 17995 1593 1 4 . 1 1 59 59 LEU C C 37 173.353 173.353 175.583 -2.230 17995 1594 1 4 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.632 -1.354 17995 1595 1 4 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.789 -0.790 17995 1596 1 4 . 1 1 59 59 LEU H H 37 7.560 7.560 7.212 0.348 17995 1597 1 4 . 1 1 60 60 ASP N N 38 126.468 126.468 125.562 0.906 17995 1598 1 4 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.769 -0.054 17995 1599 1 4 . 1 1 60 60 ASP C C 38 175.828 175.828 177.209 -1.381 17995 1600 1 4 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.817 -0.897 17995 1601 1 4 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.994 -2.438 17995 1602 1 4 . 1 1 60 60 ASP H H 38 7.527 7.527 7.685 -0.158 17995 1603 1 4 . 1 1 61 61 SER N N 39 113.128 113.128 116.983 -3.855 17995 1604 1 4 . 1 1 61 61 SER HA H 39 4.019 4.019 4.103 -0.084 17995 1605 1 4 . 1 1 61 61 SER C C 39 175.854 175.854 176.871 -1.017 17995 1606 1 4 . 1 1 61 61 SER CA C 39 61.276 61.276 61.174 0.102 17995 1607 1 4 . 1 1 61 61 SER CB C 39 65.520 65.520 62.970 2.550 17995 1608 1 4 . 1 1 61 61 SER H H 39 8.623 8.623 8.538 0.085 17995 1609 1 4 . 1 1 62 62 MET N N 40 121.706 121.706 120.230 1.476 17995 1610 1 4 . 1 1 62 62 MET HA H 40 4.303 4.303 4.111 0.192 17995 1611 1 4 . 1 1 62 62 MET C C 40 177.755 177.755 178.293 -0.538 17995 1612 1 4 . 1 1 62 62 MET CA C 40 57.714 57.714 56.275 1.440 17995 1613 1 4 . 1 1 62 62 MET CB C 40 32.386 32.386 31.050 1.336 17995 1614 1 4 . 1 1 62 62 MET H H 40 7.802 7.802 8.340 -0.538 17995 1615 1 4 . 1 1 63 63 ALA N N 41 124.277 124.277 120.389 3.888 17995 1616 1 4 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.131 0.040 17995 1617 1 4 . 1 1 63 63 ALA C C 41 179.893 179.893 179.250 0.643 17995 1618 1 4 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.769 0.332 17995 1619 1 4 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.831 1.825 17995 1620 1 4 . 1 1 63 63 ALA H H 41 8.295 8.295 8.136 0.159 17995 1621 1 4 . 1 1 64 64 VAL N N 42 118.186 118.186 115.856 2.330 17995 1622 1 4 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.355 -0.362 17995 1623 1 4 . 1 1 64 64 VAL C C 42 177.327 177.327 177.257 0.070 17995 1624 1 4 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.303 2.009 17995 1625 1 4 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.194 -0.002 17995 1626 1 4 . 1 1 64 64 VAL H H 42 8.019 8.019 7.212 0.807 17995 1627 1 4 . 1 1 65 65 VAL N N 43 118.361 118.361 121.265 -2.904 17995 1628 1 4 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.460 0.104 17995 1629 1 4 . 1 1 65 65 VAL C C 43 178.520 178.520 178.028 0.492 17995 1630 1 4 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.449 0.108 17995 1631 1 4 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.194 0.306 17995 1632 1 4 . 1 1 65 65 VAL H H 43 6.942 6.942 7.291 -0.349 17995 1633 1 4 . 1 1 66 66 ASN N N 44 119.476 119.476 118.398 1.078 17995 1634 1 4 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.459 0.103 17995 1635 1 4 . 1 1 66 66 ASN C C 44 178.760 178.760 177.859 0.901 17995 1636 1 4 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.222 -0.386 17995 1637 1 4 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.103 -0.297 17995 1638 1 4 . 1 1 66 66 ASN H H 44 7.789 7.789 7.977 -0.188 17995 1639 1 4 . 1 1 67 67 VAL N N 45 124.029 124.029 117.763 6.266 17995 1640 1 4 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.953 -0.335 17995 1641 1 4 . 1 1 67 67 VAL C C 45 177.100 177.100 177.474 -0.374 17995 1642 1 4 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.871 1.495 17995 1643 1 4 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.427 0.033 17995 1644 1 4 . 1 1 67 67 VAL H H 45 9.055 9.055 7.768 1.287 17995 1645 1 4 . 1 1 68 68 ILE N N 46 121.006 121.006 122.572 -1.566 17995 1646 1 4 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.657 0.131 17995 1647 1 4 . 1 1 68 68 ILE C C 46 177.871 177.871 177.830 0.041 17995 1648 1 4 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.813 -0.551 17995 1649 1 4 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.373 -1.206 17995 1650 1 4 . 1 1 68 68 ILE H H 46 8.509 8.509 7.680 0.829 17995 1651 1 4 . 1 1 69 69 THR N N 47 116.096 116.096 116.214 -0.118 17995 1652 1 4 . 1 1 69 69 THR HA H 47 4.391 4.391 3.850 0.541 17995 1653 1 4 . 1 1 69 69 THR C C 47 176.365 176.365 176.108 0.257 17995 1654 1 4 . 1 1 69 69 THR CA C 47 66.256 66.256 67.281 -1.025 17995 1655 1 4 . 1 1 69 69 THR CB C 47 69.098 69.098 68.211 0.887 17995 1656 1 4 . 1 1 69 69 THR H H 47 8.512 8.512 7.951 0.561 17995 1657 1 4 . 1 1 70 70 ALA N N 48 123.948 123.948 123.787 0.161 17995 1658 1 4 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.013 0.290 17995 1659 1 4 . 1 1 70 70 ALA C C 48 181.452 181.452 179.596 1.856 17995 1660 1 4 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.143 0.040 17995 1661 1 4 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.258 1.165 17995 1662 1 4 . 1 1 70 70 ALA H H 48 7.802 7.802 7.841 -0.039 17995 1663 1 4 . 1 1 71 71 LEU N N 49 121.199 121.199 119.391 1.808 17995 1664 1 4 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.105 0.118 17995 1665 1 4 . 1 1 71 71 LEU C C 49 178.192 178.192 179.694 -1.502 17995 1666 1 4 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.140 0.421 17995 1667 1 4 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.819 1.631 17995 1668 1 4 . 1 1 71 71 LEU H H 49 8.802 8.802 8.211 0.591 17995 1669 1 4 . 1 1 72 72 GLU N N 50 119.782 119.782 118.219 1.563 17995 1670 1 4 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.989 -0.499 17995 1671 1 4 . 1 1 72 72 GLU C C 50 180.303 180.303 179.943 0.360 17995 1672 1 4 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.106 0.745 17995 1673 1 4 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.882 2.226 17995 1674 1 4 . 1 1 72 72 GLU H H 50 8.762 8.762 8.111 0.651 17995 1675 1 4 . 1 1 73 73 GLU N N 51 116.902 116.902 119.748 -2.846 17995 1676 1 4 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.087 -0.035 17995 1677 1 4 . 1 1 73 73 GLU C C 51 178.334 178.334 178.773 -0.439 17995 1678 1 4 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.682 -0.064 17995 1679 1 4 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.331 0.751 17995 1680 1 4 . 1 1 73 73 GLU H H 51 7.953 7.953 7.996 -0.043 17995 1681 1 4 . 1 1 74 74 TYR N N 52 119.999 119.999 116.801 3.198 17995 1682 1 4 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.407 -0.525 17995 1683 1 4 . 1 1 74 74 TYR C C 52 177.384 177.384 178.196 -0.812 17995 1684 1 4 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.662 0.938 17995 1685 1 4 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.779 0.866 17995 1686 1 4 . 1 1 74 74 TYR H H 52 8.078 8.078 7.941 0.137 17995 1687 1 4 . 1 1 75 75 PHE N N 53 113.650 113.650 115.302 -1.652 17995 1688 1 4 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.490 -0.304 17995 1689 1 4 . 1 1 75 75 PHE C C 53 174.485 174.485 175.616 -1.131 17995 1690 1 4 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.082 0.162 17995 1691 1 4 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.378 0.662 17995 1692 1 4 . 1 1 75 75 PHE H H 53 8.244 8.244 8.295 -0.051 17995 1693 1 4 . 1 1 76 76 ASP N N 54 119.712 119.712 119.793 -0.081 17995 1694 1 4 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.565 -0.185 17995 1695 1 4 . 1 1 76 76 ASP C C 54 174.118 174.118 174.987 -0.869 17995 1696 1 4 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.355 -0.492 17995 1697 1 4 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.544 -0.388 17995 1698 1 4 . 1 1 76 76 ASP H H 54 7.596 7.596 8.195 -0.599 17995 1699 1 4 . 1 1 77 77 PHE N N 55 113.804 113.804 117.745 -3.941 17995 1700 1 4 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.968 0.107 17995 1701 1 4 . 1 1 77 77 PHE C C 55 174.384 174.384 173.228 1.156 17995 1702 1 4 . 1 1 77 77 PHE CA C 55 54.436 54.436 56.191 -1.755 17995 1703 1 4 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.246 0.384 17995 1704 1 4 . 1 1 77 77 PHE H H 55 7.725 7.725 7.892 -0.167 17995 1705 1 4 . 1 1 78 78 SER N N 56 114.319 114.319 115.366 -1.047 17995 1706 1 4 . 1 1 78 78 SER HA H 56 5.149 5.149 4.717 0.432 17995 1707 1 4 . 1 1 78 78 SER C C 56 174.100 174.100 172.933 1.167 17995 1708 1 4 . 1 1 78 78 SER CA C 56 56.800 56.800 56.125 0.675 17995 1709 1 4 . 1 1 78 78 SER CB C 56 65.011 65.011 63.860 1.151 17995 1710 1 4 . 1 1 78 78 SER H H 56 8.727 8.727 8.255 0.472 17995 1711 1 4 . 1 1 79 79 VAL N N 57 128.316 128.316 128.075 0.241 17995 1712 1 4 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.950 0.294 17995 1713 1 4 . 1 1 79 79 VAL C C 57 175.637 175.637 175.509 0.128 17995 1714 1 4 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.919 -1.165 17995 1715 1 4 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.908 0.965 17995 1716 1 4 . 1 1 79 79 VAL H H 57 10.222 10.222 8.004 2.218 17995 1717 1 4 . 1 1 80 80 ASP N N 58 130.058 130.058 126.750 3.308 17995 1718 1 4 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.537 0.309 17995 1719 1 4 . 1 1 80 80 ASP C C 58 177.205 177.205 177.453 -0.248 17995 1720 1 4 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.227 -0.751 17995 1721 1 4 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.115 -0.450 17995 1722 1 4 . 1 1 80 80 ASP H H 58 9.396 9.396 8.178 1.218 17995 1723 1 4 . 1 1 81 81 ASP N N 59 122.564 122.564 125.504 -2.940 17995 1724 1 4 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.326 -0.046 17995 1725 1 4 . 1 1 81 81 ASP C C 59 177.291 177.291 177.585 -0.294 17995 1726 1 4 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.536 -0.076 17995 1727 1 4 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.017 -0.287 17995 1728 1 4 . 1 1 81 81 ASP H H 59 8.696 8.696 8.886 -0.190 17995 1729 1 4 . 1 1 82 82 ASP N N 60 115.817 115.817 119.381 -3.564 17995 1730 1 4 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.550 0.009 17995 1731 1 4 . 1 1 82 82 ASP C C 60 176.939 176.939 177.335 -0.396 17995 1732 1 4 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.136 -1.274 17995 1733 1 4 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.044 -0.629 17995 1734 1 4 . 1 1 82 82 ASP H H 60 8.460 8.460 8.183 0.277 17995 1735 1 4 . 1 1 83 83 GLU N N 61 118.478 118.478 116.889 1.589 17995 1736 1 4 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.548 -0.247 17995 1737 1 4 . 1 1 83 83 GLU C C 61 175.841 175.841 176.324 -0.483 17995 1738 1 4 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.285 1.020 17995 1739 1 4 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.708 0.783 17995 1740 1 4 . 1 1 83 83 GLU H H 61 7.903 7.903 7.776 0.127 17995 1741 1 4 . 1 1 84 84 ILE N N 62 117.759 117.759 121.979 -4.220 17995 1742 1 4 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.964 0.201 17995 1743 1 4 . 1 1 84 84 ILE C C 62 174.069 174.069 175.264 -1.195 17995 1744 1 4 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.814 -2.320 17995 1745 1 4 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.061 2.074 17995 1746 1 4 . 1 1 84 84 ILE H H 62 7.396 7.396 7.297 0.099 17995 1747 1 4 . 1 1 85 85 SER N N 63 119.980 119.980 121.729 -1.749 17995 1748 1 4 . 1 1 85 85 SER HA H 63 4.789 4.789 4.797 -0.008 17995 1749 1 4 . 1 1 85 85 SER CA C 63 56.772 56.772 56.374 0.398 17995 1750 1 4 . 1 1 85 85 SER CB C 63 66.916 66.916 66.269 0.647 17995 1751 1 4 . 1 1 85 85 SER H H 63 8.384 8.384 8.129 0.255 17995 1752 1 4 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.311 -0.284 17995 1753 1 4 . 1 1 86 86 ALA C C 64 180.211 180.211 179.278 0.933 17995 1754 1 4 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.693 0.808 17995 1755 1 4 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.686 -0.676 17995 1756 1 4 . 1 1 87 87 GLN N N 65 116.123 116.123 115.013 1.110 17995 1757 1 4 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.253 -0.188 17995 1758 1 4 . 1 1 87 87 GLN C C 65 178.564 178.564 177.005 1.559 17995 1759 1 4 . 1 1 87 87 GLN CA C 65 58.739 58.739 56.628 2.111 17995 1760 1 4 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.180 0.263 17995 1761 1 4 . 1 1 87 87 GLN H H 65 7.990 7.990 7.795 0.195 17995 1762 1 4 . 1 1 88 88 THR N N 66 119.153 119.153 114.011 5.142 17995 1763 1 4 . 1 1 88 88 THR HA H 66 3.631 3.631 3.922 -0.291 17995 1764 1 4 . 1 1 88 88 THR C C 66 174.748 174.748 175.518 -0.770 17995 1765 1 4 . 1 1 88 88 THR CA C 66 66.591 66.591 64.759 1.832 17995 1766 1 4 . 1 1 88 88 THR CB C 66 68.702 68.702 68.728 -0.026 17995 1767 1 4 . 1 1 88 88 THR H H 66 7.738 7.738 7.405 0.333 17995 1768 1 4 . 1 1 89 89 PHE N N 67 115.088 115.088 117.859 -2.771 17995 1769 1 4 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.573 -0.336 17995 1770 1 4 . 1 1 89 89 PHE C C 67 173.600 173.600 176.005 -2.405 17995 1771 1 4 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.275 0.247 17995 1772 1 4 . 1 1 89 89 PHE CB C 67 39.706 39.706 37.760 1.946 17995 1773 1 4 . 1 1 89 89 PHE H H 67 7.180 7.180 7.546 -0.366 17995 1774 1 4 . 1 1 90 90 GLU N N 68 122.222 122.222 119.080 3.142 17995 1775 1 4 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.104 0.063 17995 1776 1 4 . 1 1 90 90 GLU C C 68 178.581 178.581 177.016 1.565 17995 1777 1 4 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.053 1.673 17995 1778 1 4 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.968 0.780 17995 1779 1 4 . 1 1 90 90 GLU H H 68 7.421 7.421 7.896 -0.475 17995 1780 1 4 . 1 1 91 91 THR N N 69 106.383 106.383 111.165 -4.782 17995 1781 1 4 . 1 1 91 91 THR HA H 69 5.477 5.477 4.775 0.702 17995 1782 1 4 . 1 1 91 91 THR C C 69 174.775 174.775 174.135 0.640 17995 1783 1 4 . 1 1 91 91 THR CA C 69 58.798 58.798 60.485 -1.687 17995 1784 1 4 . 1 1 91 91 THR CB C 69 74.841 74.841 71.579 3.262 17995 1785 1 4 . 1 1 91 91 THR H H 69 8.534 8.534 7.386 1.148 17995 1786 1 4 . 1 1 92 92 LEU N N 70 120.326 120.326 125.647 -5.321 17995 1787 1 4 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.099 0.044 17995 1788 1 4 . 1 1 92 92 LEU C C 70 178.174 178.174 177.895 0.279 17995 1789 1 4 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.574 0.692 17995 1790 1 4 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.261 -1.391 17995 1791 1 4 . 1 1 92 92 LEU H H 70 7.991 7.991 8.673 -0.682 17995 1792 1 4 . 1 1 93 93 GLY N N 71 106.588 106.588 105.066 1.522 17995 1793 1 4 . 1 1 93 93 GLY C C 71 175.300 175.300 176.094 -0.794 17995 1794 1 4 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.565 -0.228 17995 1795 1 4 . 1 1 93 93 GLY H H 71 9.019 9.019 8.463 0.556 17995 1796 1 4 . 1 1 94 94 SER N N 72 120.200 120.200 118.624 1.576 17995 1797 1 4 . 1 1 94 94 SER HA H 72 4.090 4.090 4.310 -0.220 17995 1798 1 4 . 1 1 94 94 SER C C 72 177.631 177.631 176.782 0.849 17995 1799 1 4 . 1 1 94 94 SER CA C 72 62.329 62.329 62.138 0.191 17995 1800 1 4 . 1 1 94 94 SER H H 72 8.709 8.709 7.429 1.280 17995 1801 1 4 . 1 1 95 95 LEU N N 73 129.169 129.169 121.195 7.974 17995 1802 1 4 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.874 0.366 17995 1803 1 4 . 1 1 95 95 LEU C C 73 176.439 176.439 178.973 -2.534 17995 1804 1 4 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.284 0.518 17995 1805 1 4 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.308 1.551 17995 1806 1 4 . 1 1 95 95 LEU H H 73 7.800 7.800 7.453 0.347 17995 1807 1 4 . 1 1 96 96 ALA N N 74 121.721 121.721 122.800 -1.079 17995 1808 1 4 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.000 -0.011 17995 1809 1 4 . 1 1 96 96 ALA C C 74 180.456 180.456 179.876 0.580 17995 1810 1 4 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.234 0.468 17995 1811 1 4 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.422 -0.707 17995 1812 1 4 . 1 1 96 96 ALA H H 74 8.612 8.612 8.017 0.595 17995 1813 1 4 . 1 1 97 97 LEU N N 75 122.095 122.095 119.244 2.851 17995 1814 1 4 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.868 0.189 17995 1815 1 4 . 1 1 97 97 LEU C C 75 178.805 178.805 179.122 -0.317 17995 1816 1 4 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.449 0.320 17995 1817 1 4 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.144 1.678 17995 1818 1 4 . 1 1 97 97 LEU H H 75 8.777 8.777 7.988 0.789 17995 1819 1 4 . 1 1 98 98 PHE N N 76 122.741 122.741 117.997 4.744 17995 1820 1 4 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.998 0.264 17995 1821 1 4 . 1 1 98 98 PHE C C 76 176.878 176.878 178.529 -1.651 17995 1822 1 4 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.353 -1.121 17995 1823 1 4 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.514 0.035 17995 1824 1 4 . 1 1 98 98 PHE H H 76 7.889 7.889 8.126 -0.237 17995 1825 1 4 . 1 1 99 99 VAL N N 77 119.641 119.641 115.432 4.209 17995 1826 1 4 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.512 -0.734 17995 1827 1 4 . 1 1 99 99 VAL C C 77 176.414 176.414 177.787 -1.373 17995 1828 1 4 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.896 1.072 17995 1829 1 4 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.140 0.046 17995 1830 1 4 . 1 1 99 99 VAL H H 77 7.599 7.599 7.906 -0.307 17995 1831 1 4 . 1 1 100 100 GLU N N 78 118.850 118.850 121.885 -3.035 17995 1832 1 4 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.208 -0.435 17995 1833 1 4 . 1 1 100 100 GLU C C 78 179.007 179.007 179.088 -0.081 17995 1834 1 4 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.264 0.276 17995 1835 1 4 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.828 0.950 17995 1836 1 4 . 1 1 100 100 GLU H H 78 7.740 7.740 8.177 -0.437 17995 1837 1 4 . 1 1 101 101 HIS N N 79 120.328 120.328 118.619 1.709 17995 1838 1 4 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.032 0.169 17995 1839 1 4 . 1 1 101 101 HIS C C 79 178.242 178.242 177.761 0.481 17995 1840 1 4 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.183 1.055 17995 1841 1 4 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.872 0.066 17995 1842 1 4 . 1 1 101 101 HIS H H 79 8.354 8.354 7.579 0.775 17995 1843 1 4 . 1 1 102 102 LYS N N 80 121.044 121.044 118.302 2.742 17995 1844 1 4 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.320 -0.753 17995 1845 1 4 . 1 1 102 102 LYS C C 80 179.199 179.199 179.199 0.000 17995 1846 1 4 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.651 -1.664 17995 1847 1 4 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.029 -1.853 17995 1848 1 4 . 1 1 102 102 LYS H H 80 7.908 7.908 7.983 -0.075 17995 1849 1 4 . 1 1 103 103 LEU N N 81 118.698 118.698 118.146 0.552 17995 1850 1 4 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.309 -0.151 17995 1851 1 4 . 1 1 103 103 LEU C C 81 178.593 178.593 178.198 0.395 17995 1852 1 4 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.034 0.362 17995 1853 1 4 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.680 1.629 17995 1854 1 4 . 1 1 103 103 LEU H H 81 7.784 7.784 7.671 0.113 17995 1855 1 4 . 1 1 104 104 SER N N 82 114.826 114.826 112.938 1.888 17995 1856 1 4 . 1 1 104 104 SER HA H 82 4.358 4.358 4.445 -0.087 17995 1857 1 4 . 1 1 104 104 SER C C 82 174.810 174.810 174.384 0.426 17995 1858 1 4 . 1 1 104 104 SER CA C 82 59.567 59.567 59.384 0.183 17995 1859 1 4 . 1 1 104 104 SER CB C 82 63.859 63.859 63.542 0.317 17995 1860 1 4 . 1 1 104 104 SER H H 82 7.738 7.738 7.563 0.175 17995 1861 1 5 . 1 1 24 24 GLN N N 2 121.730 121.730 119.655 2.075 17995 1862 1 5 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.378 -0.416 17995 1863 1 5 . 1 1 24 24 GLN C C 2 177.291 177.291 178.057 -0.766 17995 1864 1 5 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.586 0.805 17995 1865 1 5 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.364 -0.654 17995 1866 1 5 . 1 1 24 24 GLN H H 2 8.511 8.511 9.121 -0.610 17995 1867 1 5 . 1 1 25 25 HIS N N 3 116.878 116.878 119.430 -2.552 17995 1868 1 5 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.509 0.594 17995 1869 1 5 . 1 1 25 25 HIS C C 3 175.501 175.501 177.575 -2.074 17995 1870 1 5 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.553 -2.206 17995 1871 1 5 . 1 1 25 25 HIS CB C 3 30.627 30.627 30.030 0.597 17995 1872 1 5 . 1 1 25 25 HIS H H 3 8.216 8.216 8.340 -0.124 17995 1873 1 5 . 1 1 26 26 LEU N N 4 121.540 121.540 118.918 2.622 17995 1874 1 5 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.109 -0.416 17995 1875 1 5 . 1 1 26 26 LEU C C 4 177.649 177.649 178.345 -0.696 17995 1876 1 5 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.300 1.403 17995 1877 1 5 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.186 1.149 17995 1878 1 5 . 1 1 26 26 LEU H H 4 7.447 7.447 8.136 -0.689 17995 1879 1 5 . 1 1 27 27 GLU N N 5 118.441 118.441 120.336 -1.895 17995 1880 1 5 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.938 -0.047 17995 1881 1 5 . 1 1 27 27 GLU C C 5 178.162 178.162 178.202 -0.040 17995 1882 1 5 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.167 0.455 17995 1883 1 5 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.454 -0.377 17995 1884 1 5 . 1 1 27 27 GLU H H 5 8.561 8.561 7.761 0.799 17995 1885 1 5 . 1 1 28 28 ALA N N 6 122.005 122.005 121.315 0.690 17995 1886 1 5 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.082 0.050 17995 1887 1 5 . 1 1 28 28 ALA C C 6 180.421 180.421 179.637 0.784 17995 1888 1 5 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.949 0.330 17995 1889 1 5 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.376 0.390 17995 1890 1 5 . 1 1 28 28 ALA H H 6 8.205 8.205 8.389 -0.184 17995 1891 1 5 . 1 1 29 29 VAL N N 7 116.985 116.985 119.926 -2.941 17995 1892 1 5 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.575 -0.066 17995 1893 1 5 . 1 1 29 29 VAL C C 7 177.034 177.034 177.526 -0.492 17995 1894 1 5 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.960 0.403 17995 1895 1 5 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.718 -0.279 17995 1896 1 5 . 1 1 29 29 VAL H H 7 8.392 8.392 8.058 0.334 17995 1897 1 5 . 1 1 30 30 ARG N N 8 121.674 121.674 118.991 2.683 17995 1898 1 5 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.021 -0.357 17995 1899 1 5 . 1 1 30 30 ARG C C 8 177.810 177.810 178.514 -0.704 17995 1900 1 5 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.310 1.215 17995 1901 1 5 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.446 1.220 17995 1902 1 5 . 1 1 30 30 ARG H H 8 8.784 8.784 8.213 0.571 17995 1903 1 5 . 1 1 31 31 ASN N N 9 118.102 118.102 118.741 -0.639 17995 1904 1 5 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.554 -0.271 17995 1905 1 5 . 1 1 31 31 ASN C C 9 177.890 177.890 177.278 0.612 17995 1906 1 5 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.092 0.162 17995 1907 1 5 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.357 -0.769 17995 1908 1 5 . 1 1 31 31 ASN H H 9 8.144 8.144 7.861 0.283 17995 1909 1 5 . 1 1 32 32 ILE N N 10 123.614 123.614 120.491 3.123 17995 1910 1 5 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.681 0.111 17995 1911 1 5 . 1 1 32 32 ILE C C 10 177.810 177.810 178.244 -0.434 17995 1912 1 5 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.622 -0.364 17995 1913 1 5 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.018 0.716 17995 1914 1 5 . 1 1 32 32 ILE H H 10 8.137 8.137 7.825 0.312 17995 1915 1 5 . 1 1 33 33 LEU N N 11 119.797 119.797 120.110 -0.313 17995 1916 1 5 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.068 -0.282 17995 1917 1 5 . 1 1 33 33 LEU C C 11 179.039 179.039 179.277 -0.238 17995 1918 1 5 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.797 -0.087 17995 1919 1 5 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.161 0.915 17995 1920 1 5 . 1 1 33 33 LEU H H 11 8.637 8.637 8.570 0.067 17995 1921 1 5 . 1 1 34 34 GLY N N 12 103.682 103.682 105.579 -1.897 17995 1922 1 5 . 1 1 34 34 GLY C C 12 175.242 175.242 175.975 -0.733 17995 1923 1 5 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.902 0.816 17995 1924 1 5 . 1 1 34 34 GLY H H 12 8.513 8.513 8.253 0.260 17995 1925 1 5 . 1 1 35 35 ASP N N 13 122.235 122.235 122.850 -0.615 17995 1926 1 5 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.605 -0.020 17995 1927 1 5 . 1 1 35 35 ASP C C 13 179.013 179.013 178.902 0.111 17995 1928 1 5 . 1 1 35 35 ASP CA C 13 56.916 56.916 57.490 -0.574 17995 1929 1 5 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.003 0.043 17995 1930 1 5 . 1 1 35 35 ASP H H 13 7.968 7.968 7.796 0.172 17995 1931 1 5 . 1 1 36 36 VAL N N 14 120.841 120.841 119.902 0.939 17995 1932 1 5 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.844 -0.167 17995 1933 1 5 . 1 1 36 36 VAL C C 14 177.797 177.797 177.880 -0.083 17995 1934 1 5 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.732 0.272 17995 1935 1 5 . 1 1 36 36 VAL CB C 14 32.232 32.232 31.821 0.411 17995 1936 1 5 . 1 1 36 36 VAL H H 14 8.765 8.765 7.955 0.810 17995 1937 1 5 . 1 1 37 37 LEU N N 15 114.630 114.630 115.560 -0.930 17995 1938 1 5 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.322 -0.041 17995 1939 1 5 . 1 1 37 37 LEU C C 15 175.483 175.483 176.201 -0.718 17995 1940 1 5 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.763 -0.593 17995 1941 1 5 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.809 -1.115 17995 1942 1 5 . 1 1 37 37 LEU H H 15 7.942 7.942 8.089 -0.147 17995 1943 1 5 . 1 1 38 38 ASN N N 16 116.887 116.887 115.398 1.489 17995 1944 1 5 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.417 0.117 17995 1945 1 5 . 1 1 38 38 ASN C C 16 175.668 175.668 175.564 0.104 17995 1946 1 5 . 1 1 38 38 ASN CA C 16 53.920 53.920 54.157 -0.237 17995 1947 1 5 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.673 -0.815 17995 1948 1 5 . 1 1 38 38 ASN H H 16 7.561 7.561 8.082 -0.521 17995 1949 1 5 . 1 1 39 39 LEU N N 17 114.676 114.676 119.460 -4.784 17995 1950 1 5 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.038 0.032 17995 1951 1 5 . 1 1 39 39 LEU C C 17 178.415 178.415 178.276 0.139 17995 1952 1 5 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.757 -1.013 17995 1953 1 5 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.002 1.274 17995 1954 1 5 . 1 1 39 39 LEU H H 17 8.233 8.233 7.924 0.309 17995 1955 1 5 . 1 1 40 40 GLY N N 18 109.665 109.665 107.012 2.653 17995 1956 1 5 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.904 -0.599 17995 1957 1 5 . 1 1 40 40 GLY H H 18 8.678 8.678 8.100 0.578 17995 1958 1 5 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.235 -0.107 17995 1959 1 5 . 1 1 41 41 GLU C C 19 178.328 178.328 177.993 0.335 17995 1960 1 5 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.264 1.000 17995 1961 1 5 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.113 -1.033 17995 1962 1 5 . 1 1 42 42 ARG N N 20 118.936 118.936 119.890 -0.954 17995 1963 1 5 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.087 0.088 17995 1964 1 5 . 1 1 42 42 ARG C C 20 178.912 178.912 177.572 1.340 17995 1965 1 5 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.696 -0.459 17995 1966 1 5 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.235 -0.179 17995 1967 1 5 . 1 1 42 42 ARG H H 20 7.979 7.979 7.853 0.126 17995 1968 1 5 . 1 1 43 43 LYS N N 21 119.087 119.087 113.974 5.113 17995 1969 1 5 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.190 -0.442 17995 1970 1 5 . 1 1 43 43 LYS C C 21 176.559 176.559 177.771 -1.212 17995 1971 1 5 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.761 0.337 17995 1972 1 5 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.623 0.357 17995 1973 1 5 . 1 1 43 43 LYS H H 21 7.719 7.719 8.290 -0.571 17995 1974 1 5 . 1 1 44 44 HIS N N 22 115.571 115.571 118.231 -2.660 17995 1975 1 5 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.547 -0.119 17995 1976 1 5 . 1 1 44 44 HIS C C 22 176.288 176.288 175.840 0.448 17995 1977 1 5 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.422 -0.638 17995 1978 1 5 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.771 -0.301 17995 1979 1 5 . 1 1 44 44 HIS H H 22 7.124 7.124 7.782 -0.658 17995 1980 1 5 . 1 1 45 45 THR N N 23 107.890 107.890 112.050 -4.160 17995 1981 1 5 . 1 1 45 45 THR HA H 23 4.355 4.355 4.186 0.169 17995 1982 1 5 . 1 1 45 45 THR C C 23 174.650 174.650 174.709 -0.059 17995 1983 1 5 . 1 1 45 45 THR CA C 23 61.627 61.627 62.518 -0.891 17995 1984 1 5 . 1 1 45 45 THR CB C 23 69.475 69.475 69.219 0.256 17995 1985 1 5 . 1 1 45 45 THR H H 23 7.441 7.441 7.632 -0.191 17995 1986 1 5 . 1 1 46 46 LEU N N 24 121.435 121.435 119.044 2.391 17995 1987 1 5 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.790 -0.167 17995 1988 1 5 . 1 1 46 46 LEU C C 24 176.537 176.537 175.674 0.863 17995 1989 1 5 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.207 1.383 17995 1990 1 5 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.770 0.346 17995 1991 1 5 . 1 1 46 46 LEU H H 24 7.059 7.059 7.152 -0.093 17995 1992 1 5 . 1 1 47 47 THR N N 25 116.104 116.104 113.055 3.049 17995 1993 1 5 . 1 1 47 47 THR HA H 25 4.605 4.605 4.654 -0.049 17995 1994 1 5 . 1 1 47 47 THR C C 25 175.526 175.526 175.433 0.093 17995 1995 1 5 . 1 1 47 47 THR CA C 25 59.878 59.878 59.876 0.002 17995 1996 1 5 . 1 1 47 47 THR CB C 25 71.752 71.752 71.167 0.585 17995 1997 1 5 . 1 1 47 47 THR H H 25 9.432 9.432 7.969 1.463 17995 1998 1 5 . 1 1 48 48 ALA N N 26 122.234 122.234 120.944 1.290 17995 1999 1 5 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.113 -0.304 17995 2000 1 5 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.266 0.327 17995 2001 1 5 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.472 0.182 17995 2002 1 5 . 1 1 48 48 ALA H H 26 9.142 9.142 8.560 0.582 17995 2003 1 5 . 1 1 49 49 SER HA H 27 4.448 4.448 4.423 0.025 17995 2004 1 5 . 1 1 49 49 SER C C 27 174.637 174.637 174.645 -0.008 17995 2005 1 5 . 1 1 49 49 SER CA C 27 58.348 58.348 58.953 -0.605 17995 2006 1 5 . 1 1 49 49 SER CB C 27 63.704 63.704 63.116 0.588 17995 2007 1 5 . 1 1 50 50 SER N N 28 122.032 122.032 118.863 3.169 17995 2008 1 5 . 1 1 50 50 SER HA H 28 4.269 4.269 4.396 -0.127 17995 2009 1 5 . 1 1 50 50 SER C C 28 172.904 172.904 173.989 -1.085 17995 2010 1 5 . 1 1 50 50 SER CA C 28 60.846 60.846 58.857 1.989 17995 2011 1 5 . 1 1 50 50 SER CB C 28 63.063 63.063 64.116 -1.053 17995 2012 1 5 . 1 1 50 50 SER H H 28 8.157 8.157 7.523 0.634 17995 2013 1 5 . 1 1 51 51 VAL N N 29 127.079 127.079 124.312 2.767 17995 2014 1 5 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.324 0.018 17995 2015 1 5 . 1 1 51 51 VAL C C 29 176.612 176.612 175.853 0.759 17995 2016 1 5 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.357 0.091 17995 2017 1 5 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.376 -0.151 17995 2018 1 5 . 1 1 51 51 VAL H H 29 8.505 8.505 8.677 -0.172 17995 2019 1 5 . 1 1 52 52 LEU N N 30 126.014 126.014 125.344 0.670 17995 2020 1 5 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.674 0.121 17995 2021 1 5 . 1 1 52 52 LEU C C 30 176.569 176.569 176.915 -0.346 17995 2022 1 5 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.875 -1.343 17995 2023 1 5 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.847 -1.843 17995 2024 1 5 . 1 1 52 52 LEU H H 30 7.954 7.954 8.287 -0.333 17995 2025 1 5 . 1 1 53 53 LEU N N 31 122.601 122.601 120.643 1.958 17995 2026 1 5 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.054 0.032 17995 2027 1 5 . 1 1 53 53 LEU C C 31 177.683 177.683 177.560 0.123 17995 2028 1 5 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.775 0.599 17995 2029 1 5 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.961 -0.142 17995 2030 1 5 . 1 1 53 53 LEU H H 31 7.777 7.777 7.946 -0.169 17995 2031 1 5 . 1 1 54 54 GLY N N 32 114.941 114.941 115.333 -0.392 17995 2032 1 5 . 1 1 54 54 GLY C C 32 173.612 173.612 174.293 -0.681 17995 2033 1 5 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.744 -0.186 17995 2034 1 5 . 1 1 54 54 GLY H H 32 9.121 9.121 9.019 0.102 17995 2035 1 5 . 1 1 55 55 ASN N N 33 117.901 117.901 120.617 -2.716 17995 2036 1 5 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.729 0.201 17995 2037 1 5 . 1 1 55 55 ASN C C 33 174.458 174.458 176.425 -1.967 17995 2038 1 5 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.453 -0.634 17995 2039 1 5 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.381 2.166 17995 2040 1 5 . 1 1 55 55 ASN H H 33 7.789 7.789 7.799 -0.010 17995 2041 1 5 . 1 1 56 56 ILE N N 34 120.163 120.163 122.227 -2.064 17995 2042 1 5 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.368 0.169 17995 2043 1 5 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.062 -0.062 17995 2044 1 5 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.348 1.745 17995 2045 1 5 . 1 1 56 56 ILE H H 34 7.703 7.703 8.072 -0.369 17995 2046 1 5 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.396 -0.223 17995 2047 1 5 . 1 1 57 57 PRO C C 35 177.969 177.969 176.702 1.267 17995 2048 1 5 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.338 0.938 17995 2049 1 5 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.933 0.001 17995 2050 1 5 . 1 1 58 58 GLU N N 36 116.701 116.701 116.853 -0.152 17995 2051 1 5 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.347 -0.375 17995 2052 1 5 . 1 1 58 58 GLU C C 36 176.612 176.612 176.108 0.504 17995 2053 1 5 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.785 3.562 17995 2054 1 5 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.376 0.456 17995 2055 1 5 . 1 1 58 58 GLU H H 36 9.581 9.581 8.612 0.969 17995 2056 1 5 . 1 1 59 59 LEU N N 37 121.189 121.189 123.888 -2.699 17995 2057 1 5 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.352 -0.040 17995 2058 1 5 . 1 1 59 59 LEU C C 37 173.353 173.353 175.593 -2.240 17995 2059 1 5 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.539 -1.261 17995 2060 1 5 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.264 0.735 17995 2061 1 5 . 1 1 59 59 LEU H H 37 7.560 7.560 7.231 0.329 17995 2062 1 5 . 1 1 60 60 ASP N N 38 126.468 126.468 124.266 2.202 17995 2063 1 5 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.684 0.031 17995 2064 1 5 . 1 1 60 60 ASP C C 38 175.828 175.828 177.052 -1.224 17995 2065 1 5 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.171 -1.251 17995 2066 1 5 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.983 -2.427 17995 2067 1 5 . 1 1 60 60 ASP H H 38 7.527 7.527 7.712 -0.185 17995 2068 1 5 . 1 1 61 61 SER N N 39 113.128 113.128 117.195 -4.067 17995 2069 1 5 . 1 1 61 61 SER HA H 39 4.019 4.019 4.089 -0.070 17995 2070 1 5 . 1 1 61 61 SER C C 39 175.854 175.854 176.891 -1.037 17995 2071 1 5 . 1 1 61 61 SER CA C 39 61.276 61.276 61.714 -0.438 17995 2072 1 5 . 1 1 61 61 SER CB C 39 65.520 65.520 62.998 2.522 17995 2073 1 5 . 1 1 61 61 SER H H 39 8.623 8.623 8.551 0.072 17995 2074 1 5 . 1 1 62 62 MET N N 40 121.706 121.706 118.409 3.297 17995 2075 1 5 . 1 1 62 62 MET HA H 40 4.303 4.303 4.282 0.021 17995 2076 1 5 . 1 1 62 62 MET C C 40 177.755 177.755 178.079 -0.324 17995 2077 1 5 . 1 1 62 62 MET CA C 40 57.714 57.714 56.238 1.476 17995 2078 1 5 . 1 1 62 62 MET CB C 40 32.386 32.386 31.327 1.059 17995 2079 1 5 . 1 1 62 62 MET H H 40 7.802 7.802 8.170 -0.368 17995 2080 1 5 . 1 1 63 63 ALA N N 41 124.277 124.277 122.219 2.058 17995 2081 1 5 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.083 0.088 17995 2082 1 5 . 1 1 63 63 ALA C C 41 179.893 179.893 179.401 0.492 17995 2083 1 5 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.056 0.045 17995 2084 1 5 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.012 1.644 17995 2085 1 5 . 1 1 63 63 ALA H H 41 8.295 8.295 7.741 0.554 17995 2086 1 5 . 1 1 64 64 VAL N N 42 118.186 118.186 115.250 2.936 17995 2087 1 5 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.430 -0.437 17995 2088 1 5 . 1 1 64 64 VAL C C 42 177.327 177.327 177.519 -0.192 17995 2089 1 5 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.653 1.659 17995 2090 1 5 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.068 0.124 17995 2091 1 5 . 1 1 64 64 VAL H H 42 8.019 8.019 7.563 0.456 17995 2092 1 5 . 1 1 65 65 VAL N N 43 118.361 118.361 121.364 -3.003 17995 2093 1 5 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.464 0.100 17995 2094 1 5 . 1 1 65 65 VAL C C 43 178.520 178.520 178.373 0.147 17995 2095 1 5 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.443 0.114 17995 2096 1 5 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.177 0.323 17995 2097 1 5 . 1 1 65 65 VAL H H 43 6.942 6.942 7.444 -0.502 17995 2098 1 5 . 1 1 66 66 ASN N N 44 119.476 119.476 118.603 0.873 17995 2099 1 5 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.457 0.105 17995 2100 1 5 . 1 1 66 66 ASN C C 44 178.760 178.760 177.989 0.771 17995 2101 1 5 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.252 -0.416 17995 2102 1 5 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.213 -0.406 17995 2103 1 5 . 1 1 66 66 ASN H H 44 7.789 7.789 7.973 -0.184 17995 2104 1 5 . 1 1 67 67 VAL N N 45 124.029 124.029 116.542 7.487 17995 2105 1 5 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.873 -0.255 17995 2106 1 5 . 1 1 67 67 VAL C C 45 177.100 177.100 177.884 -0.784 17995 2107 1 5 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.906 1.460 17995 2108 1 5 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.593 -0.134 17995 2109 1 5 . 1 1 67 67 VAL H H 45 9.055 9.055 7.686 1.369 17995 2110 1 5 . 1 1 68 68 ILE N N 46 121.006 121.006 122.357 -1.351 17995 2111 1 5 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.626 0.162 17995 2112 1 5 . 1 1 68 68 ILE C C 46 177.871 177.871 177.824 0.047 17995 2113 1 5 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.496 -0.234 17995 2114 1 5 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.630 -1.463 17995 2115 1 5 . 1 1 68 68 ILE H H 46 8.509 8.509 8.125 0.384 17995 2116 1 5 . 1 1 69 69 THR N N 47 116.096 116.096 116.966 -0.870 17995 2117 1 5 . 1 1 69 69 THR HA H 47 4.391 4.391 4.117 0.274 17995 2118 1 5 . 1 1 69 69 THR C C 47 176.365 176.365 176.450 -0.085 17995 2119 1 5 . 1 1 69 69 THR CA C 47 66.256 66.256 66.933 -0.678 17995 2120 1 5 . 1 1 69 69 THR CB C 47 69.098 69.098 68.338 0.759 17995 2121 1 5 . 1 1 69 69 THR H H 47 8.512 8.512 7.847 0.665 17995 2122 1 5 . 1 1 70 70 ALA N N 48 123.948 123.948 123.805 0.143 17995 2123 1 5 . 1 1 70 70 ALA HA H 48 4.303 4.303 3.993 0.310 17995 2124 1 5 . 1 1 70 70 ALA C C 48 181.452 181.452 179.456 1.996 17995 2125 1 5 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.113 0.070 17995 2126 1 5 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.203 1.219 17995 2127 1 5 . 1 1 70 70 ALA H H 48 7.802 7.802 7.776 0.026 17995 2128 1 5 . 1 1 71 71 LEU N N 49 121.199 121.199 119.074 2.125 17995 2129 1 5 . 1 1 71 71 LEU HA H 49 4.223 4.223 3.799 0.424 17995 2130 1 5 . 1 1 71 71 LEU C C 49 178.192 178.192 179.229 -1.037 17995 2131 1 5 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.162 0.399 17995 2132 1 5 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.794 1.657 17995 2133 1 5 . 1 1 71 71 LEU H H 49 8.802 8.802 8.076 0.726 17995 2134 1 5 . 1 1 72 72 GLU N N 50 119.782 119.782 118.435 1.347 17995 2135 1 5 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.174 0.316 17995 2136 1 5 . 1 1 72 72 GLU C C 50 180.303 180.303 179.250 1.053 17995 2137 1 5 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.334 0.517 17995 2138 1 5 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.009 2.099 17995 2139 1 5 . 1 1 72 72 GLU H H 50 8.762 8.762 8.070 0.692 17995 2140 1 5 . 1 1 73 73 GLU N N 51 116.902 116.902 119.686 -2.784 17995 2141 1 5 . 1 1 73 73 GLU HA H 51 4.052 4.052 3.974 0.078 17995 2142 1 5 . 1 1 73 73 GLU C C 51 178.334 178.334 179.080 -0.746 17995 2143 1 5 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.782 -0.164 17995 2144 1 5 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.230 0.852 17995 2145 1 5 . 1 1 73 73 GLU H H 51 7.953 7.953 7.778 0.175 17995 2146 1 5 . 1 1 74 74 TYR N N 52 119.999 119.999 117.814 2.185 17995 2147 1 5 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.394 -0.512 17995 2148 1 5 . 1 1 74 74 TYR C C 52 177.384 177.384 178.512 -1.128 17995 2149 1 5 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.895 0.705 17995 2150 1 5 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.719 0.926 17995 2151 1 5 . 1 1 74 74 TYR H H 52 8.078 8.078 7.759 0.319 17995 2152 1 5 . 1 1 75 75 PHE N N 53 113.650 113.650 115.452 -1.802 17995 2153 1 5 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.535 -0.349 17995 2154 1 5 . 1 1 75 75 PHE C C 53 174.485 174.485 175.676 -1.191 17995 2155 1 5 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.681 0.563 17995 2156 1 5 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.177 0.863 17995 2157 1 5 . 1 1 75 75 PHE H H 53 8.244 8.244 8.252 -0.008 17995 2158 1 5 . 1 1 76 76 ASP N N 54 119.712 119.712 119.443 0.269 17995 2159 1 5 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.448 -0.068 17995 2160 1 5 . 1 1 76 76 ASP C C 54 174.118 174.118 174.693 -0.575 17995 2161 1 5 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.313 -0.450 17995 2162 1 5 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.470 -0.314 17995 2163 1 5 . 1 1 76 76 ASP H H 54 7.596 7.596 8.114 -0.518 17995 2164 1 5 . 1 1 77 77 PHE N N 55 113.804 113.804 117.998 -4.194 17995 2165 1 5 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.869 0.206 17995 2166 1 5 . 1 1 77 77 PHE C C 55 174.384 174.384 172.730 1.654 17995 2167 1 5 . 1 1 77 77 PHE CA C 55 54.436 54.436 56.755 -2.318 17995 2168 1 5 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.151 0.479 17995 2169 1 5 . 1 1 77 77 PHE H H 55 7.725 7.725 8.043 -0.318 17995 2170 1 5 . 1 1 78 78 SER N N 56 114.319 114.319 115.110 -0.791 17995 2171 1 5 . 1 1 78 78 SER HA H 56 5.149 5.149 4.533 0.616 17995 2172 1 5 . 1 1 78 78 SER C C 56 174.100 174.100 172.777 1.323 17995 2173 1 5 . 1 1 78 78 SER CA C 56 56.800 56.800 56.676 0.124 17995 2174 1 5 . 1 1 78 78 SER CB C 56 65.011 65.011 65.323 -0.312 17995 2175 1 5 . 1 1 78 78 SER H H 56 8.727 8.727 8.347 0.380 17995 2176 1 5 . 1 1 79 79 VAL N N 57 128.316 128.316 126.861 1.455 17995 2177 1 5 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.539 -0.295 17995 2178 1 5 . 1 1 79 79 VAL C C 57 175.637 175.637 175.698 -0.061 17995 2179 1 5 . 1 1 79 79 VAL CA C 57 61.754 61.754 61.875 -0.121 17995 2180 1 5 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.302 0.571 17995 2181 1 5 . 1 1 79 79 VAL H H 57 10.222 10.222 8.213 2.009 17995 2182 1 5 . 1 1 80 80 ASP N N 58 130.058 130.058 127.605 2.453 17995 2183 1 5 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.698 0.148 17995 2184 1 5 . 1 1 80 80 ASP C C 58 177.205 177.205 176.787 0.418 17995 2185 1 5 . 1 1 80 80 ASP CA C 58 53.476 53.476 53.469 0.007 17995 2186 1 5 . 1 1 80 80 ASP CB C 58 42.665 42.665 44.216 -1.551 17995 2187 1 5 . 1 1 80 80 ASP H H 58 9.396 9.396 8.617 0.779 17995 2188 1 5 . 1 1 81 81 ASP N N 59 122.564 122.564 122.713 -0.149 17995 2189 1 5 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.370 -0.090 17995 2190 1 5 . 1 1 81 81 ASP C C 59 177.291 177.291 176.731 0.560 17995 2191 1 5 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.698 0.762 17995 2192 1 5 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.167 -0.437 17995 2193 1 5 . 1 1 81 81 ASP H H 59 8.696 8.696 8.664 0.032 17995 2194 1 5 . 1 1 82 82 ASP N N 60 115.817 115.817 117.999 -2.182 17995 2195 1 5 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.475 0.084 17995 2196 1 5 . 1 1 82 82 ASP C C 60 176.939 176.939 177.842 -0.903 17995 2197 1 5 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.343 -1.482 17995 2198 1 5 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.304 -0.889 17995 2199 1 5 . 1 1 82 82 ASP H H 60 8.460 8.460 8.091 0.369 17995 2200 1 5 . 1 1 83 83 GLU N N 61 118.478 118.478 116.616 1.862 17995 2201 1 5 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.464 -0.163 17995 2202 1 5 . 1 1 83 83 GLU C C 61 175.841 175.841 177.050 -1.209 17995 2203 1 5 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.501 0.803 17995 2204 1 5 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.535 0.956 17995 2205 1 5 . 1 1 83 83 GLU H H 61 7.903 7.903 7.688 0.215 17995 2206 1 5 . 1 1 84 84 ILE N N 62 117.759 117.759 121.867 -4.108 17995 2207 1 5 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.699 0.466 17995 2208 1 5 . 1 1 84 84 ILE C C 62 174.069 174.069 175.122 -1.053 17995 2209 1 5 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.599 -3.105 17995 2210 1 5 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.811 1.324 17995 2211 1 5 . 1 1 84 84 ILE H H 62 7.396 7.396 7.461 -0.065 17995 2212 1 5 . 1 1 85 85 SER N N 63 119.980 119.980 120.881 -0.901 17995 2213 1 5 . 1 1 85 85 SER HA H 63 4.789 4.789 4.693 0.096 17995 2214 1 5 . 1 1 85 85 SER CA C 63 56.772 56.772 56.894 -0.122 17995 2215 1 5 . 1 1 85 85 SER CB C 63 66.916 66.916 65.538 1.378 17995 2216 1 5 . 1 1 85 85 SER H H 63 8.384 8.384 8.274 0.110 17995 2217 1 5 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.321 -0.294 17995 2218 1 5 . 1 1 86 86 ALA C C 64 180.211 180.211 179.375 0.836 17995 2219 1 5 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.713 0.788 17995 2220 1 5 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.706 -0.696 17995 2221 1 5 . 1 1 87 87 GLN N N 65 116.123 116.123 114.811 1.312 17995 2222 1 5 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.238 -0.173 17995 2223 1 5 . 1 1 87 87 GLN C C 65 178.564 178.564 177.279 1.285 17995 2224 1 5 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.266 1.473 17995 2225 1 5 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.017 0.426 17995 2226 1 5 . 1 1 87 87 GLN H H 65 7.990 7.990 7.846 0.144 17995 2227 1 5 . 1 1 88 88 THR N N 66 119.153 119.153 115.290 3.863 17995 2228 1 5 . 1 1 88 88 THR HA H 66 3.631 3.631 4.280 -0.649 17995 2229 1 5 . 1 1 88 88 THR C C 66 174.748 174.748 174.626 0.122 17995 2230 1 5 . 1 1 88 88 THR CA C 66 66.591 66.591 65.674 0.917 17995 2231 1 5 . 1 1 88 88 THR CB C 66 68.702 68.702 68.886 -0.184 17995 2232 1 5 . 1 1 88 88 THR H H 66 7.738 7.738 7.460 0.278 17995 2233 1 5 . 1 1 89 89 PHE N N 67 115.088 115.088 116.244 -1.156 17995 2234 1 5 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.677 -0.440 17995 2235 1 5 . 1 1 89 89 PHE C C 67 173.600 173.600 176.744 -3.144 17995 2236 1 5 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.764 -0.242 17995 2237 1 5 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.226 0.480 17995 2238 1 5 . 1 1 89 89 PHE H H 67 7.180 7.180 7.739 -0.559 17995 2239 1 5 . 1 1 90 90 GLU N N 68 122.222 122.222 118.912 3.310 17995 2240 1 5 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.096 0.071 17995 2241 1 5 . 1 1 90 90 GLU C C 68 178.581 178.581 177.109 1.472 17995 2242 1 5 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.209 1.517 17995 2243 1 5 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.869 0.879 17995 2244 1 5 . 1 1 90 90 GLU H H 68 7.421 7.421 8.311 -0.890 17995 2245 1 5 . 1 1 91 91 THR N N 69 106.383 106.383 108.648 -2.265 17995 2246 1 5 . 1 1 91 91 THR HA H 69 5.477 5.477 4.881 0.596 17995 2247 1 5 . 1 1 91 91 THR C C 69 174.775 174.775 174.494 0.281 17995 2248 1 5 . 1 1 91 91 THR CA C 69 58.798 58.798 59.404 -0.606 17995 2249 1 5 . 1 1 91 91 THR CB C 69 74.841 74.841 72.927 1.914 17995 2250 1 5 . 1 1 91 91 THR H H 69 8.534 8.534 7.458 1.076 17995 2251 1 5 . 1 1 92 92 LEU N N 70 120.326 120.326 122.760 -2.434 17995 2252 1 5 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.106 0.037 17995 2253 1 5 . 1 1 92 92 LEU C C 70 178.174 178.174 178.281 -0.107 17995 2254 1 5 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.778 0.488 17995 2255 1 5 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.018 -1.148 17995 2256 1 5 . 1 1 92 92 LEU H H 70 7.991 7.991 8.389 -0.398 17995 2257 1 5 . 1 1 93 93 GLY N N 71 106.588 106.588 105.136 1.452 17995 2258 1 5 . 1 1 93 93 GLY C C 71 175.300 175.300 175.999 -0.699 17995 2259 1 5 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.440 -0.103 17995 2260 1 5 . 1 1 93 93 GLY H H 71 9.019 9.019 8.478 0.541 17995 2261 1 5 . 1 1 94 94 SER N N 72 120.200 120.200 118.617 1.583 17995 2262 1 5 . 1 1 94 94 SER HA H 72 4.090 4.090 4.252 -0.162 17995 2263 1 5 . 1 1 94 94 SER C C 72 177.631 177.631 176.786 0.845 17995 2264 1 5 . 1 1 94 94 SER CA C 72 62.329 62.329 62.111 0.218 17995 2265 1 5 . 1 1 94 94 SER H H 72 8.709 8.709 7.385 1.324 17995 2266 1 5 . 1 1 95 95 LEU N N 73 129.169 129.169 121.464 7.705 17995 2267 1 5 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.021 0.219 17995 2268 1 5 . 1 1 95 95 LEU C C 73 176.439 176.439 178.971 -2.532 17995 2269 1 5 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.420 0.382 17995 2270 1 5 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.282 1.577 17995 2271 1 5 . 1 1 95 95 LEU H H 73 7.800 7.800 7.484 0.316 17995 2272 1 5 . 1 1 96 96 ALA N N 74 121.721 121.721 122.397 -0.676 17995 2273 1 5 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.014 -0.025 17995 2274 1 5 . 1 1 96 96 ALA C C 74 180.456 180.456 179.874 0.582 17995 2275 1 5 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.255 0.447 17995 2276 1 5 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.402 -0.686 17995 2277 1 5 . 1 1 96 96 ALA H H 74 8.612 8.612 8.043 0.569 17995 2278 1 5 . 1 1 97 97 LEU N N 75 122.095 122.095 118.759 3.336 17995 2279 1 5 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.882 0.175 17995 2280 1 5 . 1 1 97 97 LEU C C 75 178.805 178.805 178.917 -0.112 17995 2281 1 5 . 1 1 97 97 LEU CA C 75 57.769 57.769 56.670 1.099 17995 2282 1 5 . 1 1 97 97 LEU CB C 75 41.822 41.822 39.850 1.972 17995 2283 1 5 . 1 1 97 97 LEU H H 75 8.777 8.777 7.980 0.797 17995 2284 1 5 . 1 1 98 98 PHE N N 76 122.741 122.741 118.939 3.802 17995 2285 1 5 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.031 0.231 17995 2286 1 5 . 1 1 98 98 PHE C C 76 176.878 176.878 178.527 -1.649 17995 2287 1 5 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.319 -1.087 17995 2288 1 5 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.563 -0.014 17995 2289 1 5 . 1 1 98 98 PHE H H 76 7.889 7.889 7.852 0.037 17995 2290 1 5 . 1 1 99 99 VAL N N 77 119.641 119.641 115.297 4.344 17995 2291 1 5 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.437 -0.659 17995 2292 1 5 . 1 1 99 99 VAL C C 77 176.414 176.414 177.736 -1.322 17995 2293 1 5 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.028 0.940 17995 2294 1 5 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.334 -0.148 17995 2295 1 5 . 1 1 99 99 VAL H H 77 7.599 7.599 8.184 -0.585 17995 2296 1 5 . 1 1 100 100 GLU N N 78 118.850 118.850 122.107 -3.257 17995 2297 1 5 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.204 -0.431 17995 2298 1 5 . 1 1 100 100 GLU C C 78 179.007 179.007 179.418 -0.411 17995 2299 1 5 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.358 0.182 17995 2300 1 5 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.048 0.730 17995 2301 1 5 . 1 1 100 100 GLU H H 78 7.740 7.740 8.005 -0.265 17995 2302 1 5 . 1 1 101 101 HIS N N 79 120.328 120.328 118.244 2.084 17995 2303 1 5 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.290 -0.089 17995 2304 1 5 . 1 1 101 101 HIS C C 79 178.242 178.242 178.028 0.214 17995 2305 1 5 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.307 0.931 17995 2306 1 5 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.775 0.163 17995 2307 1 5 . 1 1 101 101 HIS H H 79 8.354 8.354 7.703 0.651 17995 2308 1 5 . 1 1 102 102 LYS N N 80 121.044 121.044 119.524 1.520 17995 2309 1 5 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.247 -0.680 17995 2310 1 5 . 1 1 102 102 LYS C C 80 179.199 179.199 179.017 0.182 17995 2311 1 5 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.559 -1.572 17995 2312 1 5 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.872 -1.696 17995 2313 1 5 . 1 1 102 102 LYS H H 80 7.908 7.908 7.814 0.094 17995 2314 1 5 . 1 1 103 103 LEU N N 81 118.698 118.698 117.879 0.819 17995 2315 1 5 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.339 -0.181 17995 2316 1 5 . 1 1 103 103 LEU C C 81 178.593 178.593 178.590 0.003 17995 2317 1 5 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.795 0.601 17995 2318 1 5 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.791 1.518 17995 2319 1 5 . 1 1 103 103 LEU H H 81 7.784 7.784 7.746 0.038 17995 2320 1 5 . 1 1 104 104 SER N N 82 114.826 114.826 112.657 2.169 17995 2321 1 5 . 1 1 104 104 SER HA H 82 4.358 4.358 4.511 -0.153 17995 2322 1 5 . 1 1 104 104 SER C C 82 174.810 174.810 174.544 0.266 17995 2323 1 5 . 1 1 104 104 SER CA C 82 59.567 59.567 58.737 0.830 17995 2324 1 5 . 1 1 104 104 SER CB C 82 63.859 63.859 63.937 -0.078 17995 2325 1 5 . 1 1 104 104 SER H H 82 7.738 7.738 8.124 -0.386 17995 2326 1 6 . 1 1 24 24 GLN N N 2 121.730 121.730 122.274 -0.544 17995 2327 1 6 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.451 -0.489 17995 2328 1 6 . 1 1 24 24 GLN C C 2 177.291 177.291 177.475 -0.184 17995 2329 1 6 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.269 1.122 17995 2330 1 6 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.340 -0.631 17995 2331 1 6 . 1 1 24 24 GLN H H 2 8.511 8.511 9.095 -0.584 17995 2332 1 6 . 1 1 25 25 HIS N N 3 116.878 116.878 120.867 -3.989 17995 2333 1 6 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.707 0.396 17995 2334 1 6 . 1 1 25 25 HIS C C 3 175.501 175.501 177.499 -1.998 17995 2335 1 6 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.186 -1.839 17995 2336 1 6 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.795 0.832 17995 2337 1 6 . 1 1 25 25 HIS H H 3 8.216 8.216 8.406 -0.190 17995 2338 1 6 . 1 1 26 26 LEU N N 4 121.540 121.540 119.034 2.506 17995 2339 1 6 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.129 -0.436 17995 2340 1 6 . 1 1 26 26 LEU C C 4 177.649 177.649 178.300 -0.651 17995 2341 1 6 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.233 1.470 17995 2342 1 6 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.138 1.198 17995 2343 1 6 . 1 1 26 26 LEU H H 4 7.447 7.447 8.202 -0.755 17995 2344 1 6 . 1 1 27 27 GLU N N 5 118.441 118.441 119.832 -1.391 17995 2345 1 6 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.987 -0.096 17995 2346 1 6 . 1 1 27 27 GLU C C 5 178.162 178.162 178.442 -0.280 17995 2347 1 6 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.157 0.466 17995 2348 1 6 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.594 -0.517 17995 2349 1 6 . 1 1 27 27 GLU H H 5 8.561 8.561 7.880 0.681 17995 2350 1 6 . 1 1 28 28 ALA N N 6 122.005 122.005 122.492 -0.487 17995 2351 1 6 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.211 -0.079 17995 2352 1 6 . 1 1 28 28 ALA C C 6 180.421 180.421 180.018 0.403 17995 2353 1 6 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.894 0.385 17995 2354 1 6 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.203 0.563 17995 2355 1 6 . 1 1 28 28 ALA H H 6 8.205 8.205 7.707 0.498 17995 2356 1 6 . 1 1 29 29 VAL N N 7 116.985 116.985 119.838 -2.853 17995 2357 1 6 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.728 -0.219 17995 2358 1 6 . 1 1 29 29 VAL C C 7 177.034 177.034 177.753 -0.719 17995 2359 1 6 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.748 0.615 17995 2360 1 6 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.145 0.293 17995 2361 1 6 . 1 1 29 29 VAL H H 7 8.392 8.392 8.020 0.372 17995 2362 1 6 . 1 1 30 30 ARG N N 8 121.674 121.674 119.208 2.466 17995 2363 1 6 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.006 -0.342 17995 2364 1 6 . 1 1 30 30 ARG C C 8 177.810 177.810 178.437 -0.627 17995 2365 1 6 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.373 1.152 17995 2366 1 6 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.393 1.273 17995 2367 1 6 . 1 1 30 30 ARG H H 8 8.784 8.784 8.323 0.461 17995 2368 1 6 . 1 1 31 31 ASN N N 9 118.102 118.102 118.651 -0.549 17995 2369 1 6 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.526 -0.242 17995 2370 1 6 . 1 1 31 31 ASN C C 9 177.890 177.890 177.228 0.662 17995 2371 1 6 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.087 0.167 17995 2372 1 6 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.248 -0.659 17995 2373 1 6 . 1 1 31 31 ASN H H 9 8.144 8.144 7.878 0.266 17995 2374 1 6 . 1 1 32 32 ILE N N 10 123.614 123.614 120.381 3.233 17995 2375 1 6 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.474 0.318 17995 2376 1 6 . 1 1 32 32 ILE C C 10 177.810 177.810 177.861 -0.051 17995 2377 1 6 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.292 -0.034 17995 2378 1 6 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.862 0.872 17995 2379 1 6 . 1 1 32 32 ILE H H 10 8.137 8.137 7.707 0.430 17995 2380 1 6 . 1 1 33 33 LEU N N 11 119.797 119.797 119.485 0.312 17995 2381 1 6 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.105 -0.319 17995 2382 1 6 . 1 1 33 33 LEU C C 11 179.039 179.039 179.441 -0.402 17995 2383 1 6 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.458 0.252 17995 2384 1 6 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.176 0.900 17995 2385 1 6 . 1 1 33 33 LEU H H 11 8.637 8.637 8.531 0.106 17995 2386 1 6 . 1 1 34 34 GLY N N 12 103.682 103.682 105.822 -2.140 17995 2387 1 6 . 1 1 34 34 GLY C C 12 175.242 175.242 175.433 -0.191 17995 2388 1 6 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.776 0.942 17995 2389 1 6 . 1 1 34 34 GLY H H 12 8.513 8.513 8.284 0.229 17995 2390 1 6 . 1 1 35 35 ASP N N 13 122.235 122.235 122.155 0.080 17995 2391 1 6 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.510 0.075 17995 2392 1 6 . 1 1 35 35 ASP C C 13 179.013 179.013 178.589 0.424 17995 2393 1 6 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.703 0.214 17995 2394 1 6 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.177 -0.131 17995 2395 1 6 . 1 1 35 35 ASP H H 13 7.968 7.968 7.733 0.235 17995 2396 1 6 . 1 1 36 36 VAL N N 14 120.841 120.841 120.183 0.658 17995 2397 1 6 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.761 -0.084 17995 2398 1 6 . 1 1 36 36 VAL C C 14 177.797 177.797 177.813 -0.016 17995 2399 1 6 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.720 0.284 17995 2400 1 6 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.175 0.057 17995 2401 1 6 . 1 1 36 36 VAL H H 14 8.765 8.765 8.126 0.639 17995 2402 1 6 . 1 1 37 37 LEU N N 15 114.630 114.630 116.242 -1.612 17995 2403 1 6 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.229 0.052 17995 2404 1 6 . 1 1 37 37 LEU C C 15 175.483 175.483 176.379 -0.896 17995 2405 1 6 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.945 -0.775 17995 2406 1 6 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.995 -1.301 17995 2407 1 6 . 1 1 37 37 LEU H H 15 7.942 7.942 7.798 0.144 17995 2408 1 6 . 1 1 38 38 ASN N N 16 116.887 116.887 115.571 1.316 17995 2409 1 6 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.473 0.061 17995 2410 1 6 . 1 1 38 38 ASN C C 16 175.668 175.668 175.209 0.459 17995 2411 1 6 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.743 0.177 17995 2412 1 6 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.593 -0.735 17995 2413 1 6 . 1 1 38 38 ASN H H 16 7.561 7.561 8.053 -0.492 17995 2414 1 6 . 1 1 39 39 LEU N N 17 114.676 114.676 118.874 -4.198 17995 2415 1 6 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.215 -0.145 17995 2416 1 6 . 1 1 39 39 LEU C C 17 178.415 178.415 178.108 0.307 17995 2417 1 6 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.179 -0.435 17995 2418 1 6 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.340 0.936 17995 2419 1 6 . 1 1 39 39 LEU H H 17 8.233 8.233 8.123 0.110 17995 2420 1 6 . 1 1 40 40 GLY N N 18 109.665 109.665 107.609 2.056 17995 2421 1 6 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.648 -0.343 17995 2422 1 6 . 1 1 40 40 GLY H H 18 8.678 8.678 7.840 0.838 17995 2423 1 6 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.359 -0.231 17995 2424 1 6 . 1 1 41 41 GLU C C 19 178.328 178.328 177.644 0.684 17995 2425 1 6 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.528 1.736 17995 2426 1 6 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.232 -1.152 17995 2427 1 6 . 1 1 42 42 ARG N N 20 118.936 118.936 120.723 -1.787 17995 2428 1 6 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.079 0.096 17995 2429 1 6 . 1 1 42 42 ARG C C 20 178.912 178.912 176.819 2.093 17995 2430 1 6 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.772 -0.535 17995 2431 1 6 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.266 -0.210 17995 2432 1 6 . 1 1 42 42 ARG H H 20 7.979 7.979 7.739 0.240 17995 2433 1 6 . 1 1 43 43 LYS N N 21 119.087 119.087 114.541 4.546 17995 2434 1 6 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.193 -0.445 17995 2435 1 6 . 1 1 43 43 LYS C C 21 176.559 176.559 178.301 -1.742 17995 2436 1 6 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.542 0.556 17995 2437 1 6 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.713 0.268 17995 2438 1 6 . 1 1 43 43 LYS H H 21 7.719 7.719 8.133 -0.414 17995 2439 1 6 . 1 1 44 44 HIS N N 22 115.571 115.571 118.823 -3.252 17995 2440 1 6 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.502 -0.074 17995 2441 1 6 . 1 1 44 44 HIS C C 22 176.288 176.288 176.450 -0.162 17995 2442 1 6 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.509 -0.725 17995 2443 1 6 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.140 0.330 17995 2444 1 6 . 1 1 44 44 HIS H H 22 7.124 7.124 7.610 -0.486 17995 2445 1 6 . 1 1 45 45 THR N N 23 107.890 107.890 113.426 -5.536 17995 2446 1 6 . 1 1 45 45 THR HA H 23 4.355 4.355 4.326 0.029 17995 2447 1 6 . 1 1 45 45 THR C C 23 174.650 174.650 174.319 0.331 17995 2448 1 6 . 1 1 45 45 THR CA C 23 61.627 61.627 62.138 -0.511 17995 2449 1 6 . 1 1 45 45 THR CB C 23 69.475 69.475 68.863 0.612 17995 2450 1 6 . 1 1 45 45 THR H H 23 7.441 7.441 7.829 -0.388 17995 2451 1 6 . 1 1 46 46 LEU N N 24 121.435 121.435 118.521 2.914 17995 2452 1 6 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.901 -0.278 17995 2453 1 6 . 1 1 46 46 LEU C C 24 176.537 176.537 175.319 1.218 17995 2454 1 6 . 1 1 46 46 LEU CA C 24 54.590 54.590 52.807 1.783 17995 2455 1 6 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.715 -0.598 17995 2456 1 6 . 1 1 46 46 LEU H H 24 7.059 7.059 7.183 -0.124 17995 2457 1 6 . 1 1 47 47 THR N N 25 116.104 116.104 110.722 5.382 17995 2458 1 6 . 1 1 47 47 THR HA H 25 4.605 4.605 4.693 -0.088 17995 2459 1 6 . 1 1 47 47 THR C C 25 175.526 175.526 175.231 0.295 17995 2460 1 6 . 1 1 47 47 THR CA C 25 59.878 59.878 59.304 0.574 17995 2461 1 6 . 1 1 47 47 THR CB C 25 71.752 71.752 71.497 0.255 17995 2462 1 6 . 1 1 47 47 THR H H 25 9.432 9.432 7.913 1.519 17995 2463 1 6 . 1 1 48 48 ALA N N 26 122.234 122.234 120.841 1.393 17995 2464 1 6 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.162 -0.353 17995 2465 1 6 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.719 0.874 17995 2466 1 6 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.613 0.041 17995 2467 1 6 . 1 1 48 48 ALA H H 26 9.142 9.142 8.606 0.536 17995 2468 1 6 . 1 1 49 49 SER HA H 27 4.448 4.448 4.456 -0.008 17995 2469 1 6 . 1 1 49 49 SER C C 27 174.637 174.637 174.852 -0.215 17995 2470 1 6 . 1 1 49 49 SER CA C 27 58.348 58.348 58.668 -0.320 17995 2471 1 6 . 1 1 49 49 SER CB C 27 63.704 63.704 63.289 0.415 17995 2472 1 6 . 1 1 50 50 SER N N 28 122.032 122.032 119.183 2.849 17995 2473 1 6 . 1 1 50 50 SER HA H 28 4.269 4.269 4.435 -0.166 17995 2474 1 6 . 1 1 50 50 SER C C 28 172.904 172.904 173.685 -0.781 17995 2475 1 6 . 1 1 50 50 SER CA C 28 60.846 60.846 58.377 2.469 17995 2476 1 6 . 1 1 50 50 SER CB C 28 63.063 63.063 63.857 -0.794 17995 2477 1 6 . 1 1 50 50 SER H H 28 8.157 8.157 7.659 0.498 17995 2478 1 6 . 1 1 51 51 VAL N N 29 127.079 127.079 126.246 0.833 17995 2479 1 6 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.172 0.170 17995 2480 1 6 . 1 1 51 51 VAL C C 29 176.612 176.612 175.898 0.714 17995 2481 1 6 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.007 -0.559 17995 2482 1 6 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.334 -0.109 17995 2483 1 6 . 1 1 51 51 VAL H H 29 8.505 8.505 8.737 -0.232 17995 2484 1 6 . 1 1 52 52 LEU N N 30 126.014 126.014 126.131 -0.117 17995 2485 1 6 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.694 0.101 17995 2486 1 6 . 1 1 52 52 LEU C C 30 176.569 176.569 176.754 -0.185 17995 2487 1 6 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.757 -1.224 17995 2488 1 6 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.989 -1.985 17995 2489 1 6 . 1 1 52 52 LEU H H 30 7.954 7.954 8.238 -0.284 17995 2490 1 6 . 1 1 53 53 LEU N N 31 122.601 122.601 120.353 2.248 17995 2491 1 6 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.006 0.080 17995 2492 1 6 . 1 1 53 53 LEU C C 31 177.683 177.683 177.554 0.129 17995 2493 1 6 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.768 0.606 17995 2494 1 6 . 1 1 53 53 LEU CB C 31 41.819 41.819 42.151 -0.332 17995 2495 1 6 . 1 1 53 53 LEU H H 31 7.777 7.777 7.986 -0.209 17995 2496 1 6 . 1 1 54 54 GLY N N 32 114.941 114.941 114.471 0.470 17995 2497 1 6 . 1 1 54 54 GLY C C 32 173.612 173.612 173.954 -0.342 17995 2498 1 6 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.685 -0.127 17995 2499 1 6 . 1 1 54 54 GLY H H 32 9.121 9.121 9.117 0.004 17995 2500 1 6 . 1 1 55 55 ASN N N 33 117.901 117.901 119.996 -2.095 17995 2501 1 6 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.809 0.121 17995 2502 1 6 . 1 1 55 55 ASN C C 33 174.458 174.458 176.278 -1.820 17995 2503 1 6 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.033 -0.214 17995 2504 1 6 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.950 1.597 17995 2505 1 6 . 1 1 55 55 ASN H H 33 7.789 7.789 7.772 0.017 17995 2506 1 6 . 1 1 56 56 ILE N N 34 120.163 120.163 122.867 -2.704 17995 2507 1 6 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.402 0.135 17995 2508 1 6 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.982 0.019 17995 2509 1 6 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.423 1.670 17995 2510 1 6 . 1 1 56 56 ILE H H 34 7.703 7.703 8.136 -0.432 17995 2511 1 6 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.409 -0.236 17995 2512 1 6 . 1 1 57 57 PRO C C 35 177.969 177.969 176.680 1.289 17995 2513 1 6 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.331 0.945 17995 2514 1 6 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.994 -0.060 17995 2515 1 6 . 1 1 58 58 GLU N N 36 116.701 116.701 116.615 0.086 17995 2516 1 6 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.380 -0.408 17995 2517 1 6 . 1 1 58 58 GLU C C 36 176.612 176.612 175.754 0.858 17995 2518 1 6 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.596 3.751 17995 2519 1 6 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.476 0.356 17995 2520 1 6 . 1 1 58 58 GLU H H 36 9.581 9.581 8.669 0.912 17995 2521 1 6 . 1 1 59 59 LEU N N 37 121.189 121.189 123.691 -2.502 17995 2522 1 6 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.233 0.079 17995 2523 1 6 . 1 1 59 59 LEU C C 37 173.353 173.353 175.222 -1.869 17995 2524 1 6 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.396 -1.118 17995 2525 1 6 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.352 -0.353 17995 2526 1 6 . 1 1 59 59 LEU H H 37 7.560 7.560 7.292 0.268 17995 2527 1 6 . 1 1 60 60 ASP N N 38 126.468 126.468 124.610 1.858 17995 2528 1 6 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.749 -0.034 17995 2529 1 6 . 1 1 60 60 ASP C C 38 175.828 175.828 176.868 -1.040 17995 2530 1 6 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.695 -0.775 17995 2531 1 6 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.948 -2.392 17995 2532 1 6 . 1 1 60 60 ASP H H 38 7.527 7.527 7.686 -0.159 17995 2533 1 6 . 1 1 61 61 SER N N 39 113.128 113.128 116.958 -3.830 17995 2534 1 6 . 1 1 61 61 SER HA H 39 4.019 4.019 4.110 -0.091 17995 2535 1 6 . 1 1 61 61 SER C C 39 175.854 175.854 176.837 -0.983 17995 2536 1 6 . 1 1 61 61 SER CA C 39 61.276 61.276 61.744 -0.468 17995 2537 1 6 . 1 1 61 61 SER CB C 39 65.520 65.520 63.025 2.495 17995 2538 1 6 . 1 1 61 61 SER H H 39 8.623 8.623 8.573 0.050 17995 2539 1 6 . 1 1 62 62 MET N N 40 121.706 121.706 117.819 3.887 17995 2540 1 6 . 1 1 62 62 MET HA H 40 4.303 4.303 4.344 -0.041 17995 2541 1 6 . 1 1 62 62 MET C C 40 177.755 177.755 177.969 -0.214 17995 2542 1 6 . 1 1 62 62 MET CA C 40 57.714 57.714 56.059 1.655 17995 2543 1 6 . 1 1 62 62 MET CB C 40 32.386 32.386 31.533 0.853 17995 2544 1 6 . 1 1 62 62 MET H H 40 7.802 7.802 7.916 -0.114 17995 2545 1 6 . 1 1 63 63 ALA N N 41 124.277 124.277 122.510 1.767 17995 2546 1 6 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.136 0.035 17995 2547 1 6 . 1 1 63 63 ALA C C 41 179.893 179.893 179.433 0.460 17995 2548 1 6 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.810 0.291 17995 2549 1 6 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.053 1.603 17995 2550 1 6 . 1 1 63 63 ALA H H 41 8.295 8.295 7.946 0.349 17995 2551 1 6 . 1 1 64 64 VAL N N 42 118.186 118.186 115.995 2.191 17995 2552 1 6 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.474 -0.481 17995 2553 1 6 . 1 1 64 64 VAL C C 42 177.327 177.327 177.490 -0.163 17995 2554 1 6 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.785 1.527 17995 2555 1 6 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.271 -0.079 17995 2556 1 6 . 1 1 64 64 VAL H H 42 8.019 8.019 7.610 0.409 17995 2557 1 6 . 1 1 65 65 VAL N N 43 118.361 118.361 121.133 -2.772 17995 2558 1 6 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.510 0.054 17995 2559 1 6 . 1 1 65 65 VAL C C 43 178.520 178.520 177.954 0.566 17995 2560 1 6 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.528 0.030 17995 2561 1 6 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.169 0.331 17995 2562 1 6 . 1 1 65 65 VAL H H 43 6.942 6.942 7.577 -0.635 17995 2563 1 6 . 1 1 66 66 ASN N N 44 119.476 119.476 117.850 1.626 17995 2564 1 6 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.532 0.030 17995 2565 1 6 . 1 1 66 66 ASN C C 44 178.760 178.760 177.894 0.866 17995 2566 1 6 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.036 -0.200 17995 2567 1 6 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.493 -0.686 17995 2568 1 6 . 1 1 66 66 ASN H H 44 7.789 7.789 7.883 -0.094 17995 2569 1 6 . 1 1 67 67 VAL N N 45 124.029 124.029 116.765 7.264 17995 2570 1 6 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.792 -0.174 17995 2571 1 6 . 1 1 67 67 VAL C C 45 177.100 177.100 177.771 -0.671 17995 2572 1 6 . 1 1 67 67 VAL CA C 45 67.366 67.366 66.155 1.211 17995 2573 1 6 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.771 -0.311 17995 2574 1 6 . 1 1 67 67 VAL H H 45 9.055 9.055 7.713 1.342 17995 2575 1 6 . 1 1 68 68 ILE N N 46 121.006 121.006 121.476 -0.470 17995 2576 1 6 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.762 0.026 17995 2577 1 6 . 1 1 68 68 ILE C C 46 177.871 177.871 178.317 -0.446 17995 2578 1 6 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.573 -0.311 17995 2579 1 6 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.565 -1.398 17995 2580 1 6 . 1 1 68 68 ILE H H 46 8.509 8.509 7.865 0.644 17995 2581 1 6 . 1 1 69 69 THR N N 47 116.096 116.096 116.390 -0.294 17995 2582 1 6 . 1 1 69 69 THR HA H 47 4.391 4.391 3.982 0.409 17995 2583 1 6 . 1 1 69 69 THR C C 47 176.365 176.365 176.224 0.141 17995 2584 1 6 . 1 1 69 69 THR CA C 47 66.256 66.256 67.123 -0.867 17995 2585 1 6 . 1 1 69 69 THR CB C 47 69.098 69.098 68.717 0.381 17995 2586 1 6 . 1 1 69 69 THR H H 47 8.512 8.512 8.003 0.509 17995 2587 1 6 . 1 1 70 70 ALA N N 48 123.948 123.948 124.621 -0.673 17995 2588 1 6 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.265 0.038 17995 2589 1 6 . 1 1 70 70 ALA C C 48 181.452 181.452 179.670 1.782 17995 2590 1 6 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.248 -0.065 17995 2591 1 6 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.210 1.212 17995 2592 1 6 . 1 1 70 70 ALA H H 48 7.802 7.802 7.752 0.050 17995 2593 1 6 . 1 1 71 71 LEU N N 49 121.199 121.199 119.123 2.076 17995 2594 1 6 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.141 0.082 17995 2595 1 6 . 1 1 71 71 LEU C C 49 178.192 178.192 179.442 -1.250 17995 2596 1 6 . 1 1 71 71 LEU CA C 49 58.561 58.561 57.915 0.646 17995 2597 1 6 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.869 1.582 17995 2598 1 6 . 1 1 71 71 LEU H H 49 8.802 8.802 8.449 0.353 17995 2599 1 6 . 1 1 72 72 GLU N N 50 119.782 119.782 119.264 0.518 17995 2600 1 6 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.991 -0.501 17995 2601 1 6 . 1 1 72 72 GLU C C 50 180.303 180.303 179.685 0.618 17995 2602 1 6 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.142 0.709 17995 2603 1 6 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.040 2.068 17995 2604 1 6 . 1 1 72 72 GLU H H 50 8.762 8.762 8.082 0.680 17995 2605 1 6 . 1 1 73 73 GLU N N 51 116.902 116.902 118.887 -1.985 17995 2606 1 6 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.084 -0.032 17995 2607 1 6 . 1 1 73 73 GLU C C 51 178.334 178.334 178.730 -0.396 17995 2608 1 6 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.876 -0.258 17995 2609 1 6 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.270 0.812 17995 2610 1 6 . 1 1 73 73 GLU H H 51 7.953 7.953 7.814 0.139 17995 2611 1 6 . 1 1 74 74 TYR N N 52 119.999 119.999 116.967 3.032 17995 2612 1 6 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.262 -0.380 17995 2613 1 6 . 1 1 74 74 TYR C C 52 177.384 177.384 177.634 -0.250 17995 2614 1 6 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.871 0.729 17995 2615 1 6 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.706 0.939 17995 2616 1 6 . 1 1 74 74 TYR H H 52 8.078 8.078 8.090 -0.012 17995 2617 1 6 . 1 1 75 75 PHE N N 53 113.650 113.650 115.260 -1.610 17995 2618 1 6 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.301 -0.115 17995 2619 1 6 . 1 1 75 75 PHE C C 53 174.485 174.485 175.003 -0.518 17995 2620 1 6 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.187 0.057 17995 2621 1 6 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.955 1.085 17995 2622 1 6 . 1 1 75 75 PHE H H 53 8.244 8.244 7.681 0.563 17995 2623 1 6 . 1 1 76 76 ASP N N 54 119.712 119.712 117.031 2.681 17995 2624 1 6 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.437 -0.057 17995 2625 1 6 . 1 1 76 76 ASP C C 54 174.118 174.118 175.214 -1.096 17995 2626 1 6 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.424 -0.561 17995 2627 1 6 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.216 -0.060 17995 2628 1 6 . 1 1 76 76 ASP H H 54 7.596 7.596 7.741 -0.145 17995 2629 1 6 . 1 1 77 77 PHE N N 55 113.804 113.804 113.845 -0.041 17995 2630 1 6 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.987 0.088 17995 2631 1 6 . 1 1 77 77 PHE C C 55 174.384 174.384 173.924 0.460 17995 2632 1 6 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.464 -1.028 17995 2633 1 6 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.540 0.090 17995 2634 1 6 . 1 1 77 77 PHE H H 55 7.725 7.725 7.084 0.641 17995 2635 1 6 . 1 1 78 78 SER N N 56 114.319 114.319 116.353 -2.034 17995 2636 1 6 . 1 1 78 78 SER HA H 56 5.149 5.149 5.377 -0.228 17995 2637 1 6 . 1 1 78 78 SER C C 56 174.100 174.100 173.870 0.230 17995 2638 1 6 . 1 1 78 78 SER CA C 56 56.800 56.800 57.418 -0.618 17995 2639 1 6 . 1 1 78 78 SER CB C 56 65.011 65.011 64.003 1.008 17995 2640 1 6 . 1 1 78 78 SER H H 56 8.727 8.727 8.487 0.240 17995 2641 1 6 . 1 1 79 79 VAL N N 57 128.316 128.316 128.113 0.203 17995 2642 1 6 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.796 0.448 17995 2643 1 6 . 1 1 79 79 VAL C C 57 175.637 175.637 175.454 0.183 17995 2644 1 6 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.239 -1.485 17995 2645 1 6 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.621 1.252 17995 2646 1 6 . 1 1 79 79 VAL H H 57 10.222 10.222 8.580 1.642 17995 2647 1 6 . 1 1 80 80 ASP N N 58 130.058 130.058 128.114 1.944 17995 2648 1 6 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.633 0.213 17995 2649 1 6 . 1 1 80 80 ASP C C 58 177.205 177.205 176.605 0.600 17995 2650 1 6 . 1 1 80 80 ASP CA C 58 53.476 53.476 53.712 -0.235 17995 2651 1 6 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.629 -0.964 17995 2652 1 6 . 1 1 80 80 ASP H H 58 9.396 9.396 7.828 1.568 17995 2653 1 6 . 1 1 81 81 ASP N N 59 122.564 122.564 121.636 0.928 17995 2654 1 6 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.382 -0.102 17995 2655 1 6 . 1 1 81 81 ASP C C 59 177.291 177.291 176.551 0.740 17995 2656 1 6 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.501 0.959 17995 2657 1 6 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.203 -0.473 17995 2658 1 6 . 1 1 81 81 ASP H H 59 8.696 8.696 8.737 -0.041 17995 2659 1 6 . 1 1 82 82 ASP N N 60 115.817 115.817 117.915 -2.098 17995 2660 1 6 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.473 0.086 17995 2661 1 6 . 1 1 82 82 ASP C C 60 176.939 176.939 177.640 -0.701 17995 2662 1 6 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.098 -1.237 17995 2663 1 6 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.356 -0.941 17995 2664 1 6 . 1 1 82 82 ASP H H 60 8.460 8.460 7.852 0.608 17995 2665 1 6 . 1 1 83 83 GLU N N 61 118.478 118.478 117.252 1.226 17995 2666 1 6 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.363 -0.062 17995 2667 1 6 . 1 1 83 83 GLU C C 61 175.841 175.841 176.932 -1.091 17995 2668 1 6 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.819 0.485 17995 2669 1 6 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.191 1.300 17995 2670 1 6 . 1 1 83 83 GLU H H 61 7.903 7.903 7.682 0.221 17995 2671 1 6 . 1 1 84 84 ILE N N 62 117.759 117.759 122.107 -4.348 17995 2672 1 6 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.727 0.438 17995 2673 1 6 . 1 1 84 84 ILE C C 62 174.069 174.069 174.966 -0.897 17995 2674 1 6 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.494 -3.000 17995 2675 1 6 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.623 1.512 17995 2676 1 6 . 1 1 84 84 ILE H H 62 7.396 7.396 7.172 0.224 17995 2677 1 6 . 1 1 85 85 SER N N 63 119.980 119.980 122.374 -2.394 17995 2678 1 6 . 1 1 85 85 SER HA H 63 4.789 4.789 4.694 0.095 17995 2679 1 6 . 1 1 85 85 SER CA C 63 56.772 56.772 56.725 0.047 17995 2680 1 6 . 1 1 85 85 SER CB C 63 66.916 66.916 66.131 0.785 17995 2681 1 6 . 1 1 85 85 SER H H 63 8.384 8.384 8.235 0.149 17995 2682 1 6 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.209 -0.182 17995 2683 1 6 . 1 1 86 86 ALA C C 64 180.211 180.211 179.522 0.689 17995 2684 1 6 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.959 0.542 17995 2685 1 6 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.490 -0.480 17995 2686 1 6 . 1 1 87 87 GLN N N 65 116.123 116.123 115.560 0.563 17995 2687 1 6 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.248 -0.183 17995 2688 1 6 . 1 1 87 87 GLN C C 65 178.564 178.564 177.753 0.811 17995 2689 1 6 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.722 1.017 17995 2690 1 6 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.506 0.937 17995 2691 1 6 . 1 1 87 87 GLN H H 65 7.990 7.990 8.612 -0.622 17995 2692 1 6 . 1 1 88 88 THR N N 66 119.153 119.153 116.345 2.808 17995 2693 1 6 . 1 1 88 88 THR HA H 66 3.631 3.631 3.966 -0.335 17995 2694 1 6 . 1 1 88 88 THR C C 66 174.748 174.748 174.814 -0.066 17995 2695 1 6 . 1 1 88 88 THR CA C 66 66.591 66.591 65.376 1.215 17995 2696 1 6 . 1 1 88 88 THR CB C 66 68.702 68.702 68.432 0.270 17995 2697 1 6 . 1 1 88 88 THR H H 66 7.738 7.738 7.480 0.258 17995 2698 1 6 . 1 1 89 89 PHE N N 67 115.088 115.088 117.260 -2.172 17995 2699 1 6 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.647 -0.410 17995 2700 1 6 . 1 1 89 89 PHE C C 67 173.600 173.600 176.216 -2.616 17995 2701 1 6 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.243 0.279 17995 2702 1 6 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.026 0.680 17995 2703 1 6 . 1 1 89 89 PHE H H 67 7.180 7.180 7.619 -0.439 17995 2704 1 6 . 1 1 90 90 GLU N N 68 122.222 122.222 119.684 2.538 17995 2705 1 6 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.097 0.070 17995 2706 1 6 . 1 1 90 90 GLU C C 68 178.581 178.581 176.917 1.664 17995 2707 1 6 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.457 1.269 17995 2708 1 6 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.889 0.859 17995 2709 1 6 . 1 1 90 90 GLU H H 68 7.421 7.421 7.638 -0.217 17995 2710 1 6 . 1 1 91 91 THR N N 69 106.383 106.383 110.826 -4.443 17995 2711 1 6 . 1 1 91 91 THR HA H 69 5.477 5.477 4.892 0.585 17995 2712 1 6 . 1 1 91 91 THR C C 69 174.775 174.775 174.168 0.607 17995 2713 1 6 . 1 1 91 91 THR CA C 69 58.798 58.798 60.228 -1.430 17995 2714 1 6 . 1 1 91 91 THR CB C 69 74.841 74.841 71.772 3.070 17995 2715 1 6 . 1 1 91 91 THR H H 69 8.534 8.534 7.356 1.178 17995 2716 1 6 . 1 1 92 92 LEU N N 70 120.326 120.326 125.099 -4.773 17995 2717 1 6 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.229 -0.086 17995 2718 1 6 . 1 1 92 92 LEU C C 70 178.174 178.174 177.980 0.194 17995 2719 1 6 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.164 1.102 17995 2720 1 6 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.287 -1.417 17995 2721 1 6 . 1 1 92 92 LEU H H 70 7.991 7.991 8.577 -0.586 17995 2722 1 6 . 1 1 93 93 GLY N N 71 106.588 106.588 105.017 1.571 17995 2723 1 6 . 1 1 93 93 GLY C C 71 175.300 175.300 176.081 -0.781 17995 2724 1 6 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.409 -0.072 17995 2725 1 6 . 1 1 93 93 GLY H H 71 9.019 9.019 8.388 0.631 17995 2726 1 6 . 1 1 94 94 SER N N 72 120.200 120.200 118.546 1.654 17995 2727 1 6 . 1 1 94 94 SER HA H 72 4.090 4.090 4.284 -0.194 17995 2728 1 6 . 1 1 94 94 SER C C 72 177.631 177.631 176.710 0.921 17995 2729 1 6 . 1 1 94 94 SER CA C 72 62.329 62.329 61.939 0.390 17995 2730 1 6 . 1 1 94 94 SER H H 72 8.709 8.709 7.387 1.322 17995 2731 1 6 . 1 1 95 95 LEU N N 73 129.169 129.169 121.567 7.602 17995 2732 1 6 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.962 0.278 17995 2733 1 6 . 1 1 95 95 LEU C C 73 176.439 176.439 179.145 -2.706 17995 2734 1 6 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.051 0.751 17995 2735 1 6 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.076 1.783 17995 2736 1 6 . 1 1 95 95 LEU H H 73 7.800 7.800 7.439 0.361 17995 2737 1 6 . 1 1 96 96 ALA N N 74 121.721 121.721 122.420 -0.699 17995 2738 1 6 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.989 0.000 17995 2739 1 6 . 1 1 96 96 ALA C C 74 180.456 180.456 179.756 0.700 17995 2740 1 6 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.293 0.409 17995 2741 1 6 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.316 -0.600 17995 2742 1 6 . 1 1 96 96 ALA H H 74 8.612 8.612 8.148 0.464 17995 2743 1 6 . 1 1 97 97 LEU N N 75 122.095 122.095 119.331 2.764 17995 2744 1 6 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.991 0.066 17995 2745 1 6 . 1 1 97 97 LEU C C 75 178.805 178.805 179.312 -0.507 17995 2746 1 6 . 1 1 97 97 LEU CA C 75 57.769 57.769 58.098 -0.329 17995 2747 1 6 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.677 1.145 17995 2748 1 6 . 1 1 97 97 LEU H H 75 8.777 8.777 7.815 0.962 17995 2749 1 6 . 1 1 98 98 PHE N N 76 122.741 122.741 117.368 5.373 17995 2750 1 6 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.910 0.352 17995 2751 1 6 . 1 1 98 98 PHE C C 76 176.878 176.878 178.283 -1.405 17995 2752 1 6 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.535 -1.302 17995 2753 1 6 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.384 0.165 17995 2754 1 6 . 1 1 98 98 PHE H H 76 7.889 7.889 7.990 -0.101 17995 2755 1 6 . 1 1 99 99 VAL N N 77 119.641 119.641 115.506 4.135 17995 2756 1 6 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.440 -0.662 17995 2757 1 6 . 1 1 99 99 VAL C C 77 176.414 176.414 177.651 -1.237 17995 2758 1 6 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.002 0.966 17995 2759 1 6 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.255 -0.069 17995 2760 1 6 . 1 1 99 99 VAL H H 77 7.599 7.599 8.136 -0.537 17995 2761 1 6 . 1 1 100 100 GLU N N 78 118.850 118.850 121.939 -3.089 17995 2762 1 6 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.337 -0.564 17995 2763 1 6 . 1 1 100 100 GLU C C 78 179.007 179.007 179.479 -0.472 17995 2764 1 6 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.465 0.075 17995 2765 1 6 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.108 0.669 17995 2766 1 6 . 1 1 100 100 GLU H H 78 7.740 7.740 8.346 -0.606 17995 2767 1 6 . 1 1 101 101 HIS N N 79 120.328 120.328 117.624 2.704 17995 2768 1 6 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.404 -0.203 17995 2769 1 6 . 1 1 101 101 HIS C C 79 178.242 178.242 177.559 0.683 17995 2770 1 6 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.041 0.197 17995 2771 1 6 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.912 0.026 17995 2772 1 6 . 1 1 101 101 HIS H H 79 8.354 8.354 8.142 0.212 17995 2773 1 6 . 1 1 102 102 LYS N N 80 121.044 121.044 118.872 2.172 17995 2774 1 6 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.111 -0.544 17995 2775 1 6 . 1 1 102 102 LYS C C 80 179.199 179.199 179.258 -0.059 17995 2776 1 6 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.568 -1.581 17995 2777 1 6 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.767 -1.591 17995 2778 1 6 . 1 1 102 102 LYS H H 80 7.908 7.908 7.890 0.018 17995 2779 1 6 . 1 1 103 103 LEU N N 81 118.698 118.698 118.557 0.141 17995 2780 1 6 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.477 -0.319 17995 2781 1 6 . 1 1 103 103 LEU C C 81 178.593 178.593 178.590 0.003 17995 2782 1 6 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.955 0.441 17995 2783 1 6 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.761 1.548 17995 2784 1 6 . 1 1 103 103 LEU H H 81 7.784 7.784 7.921 -0.137 17995 2785 1 6 . 1 1 104 104 SER N N 82 114.826 114.826 113.379 1.447 17995 2786 1 6 . 1 1 104 104 SER HA H 82 4.358 4.358 4.419 -0.061 17995 2787 1 6 . 1 1 104 104 SER C C 82 174.810 174.810 174.085 0.725 17995 2788 1 6 . 1 1 104 104 SER CA C 82 59.567 59.567 59.926 -0.359 17995 2789 1 6 . 1 1 104 104 SER CB C 82 63.859 63.859 63.911 -0.052 17995 2790 1 6 . 1 1 104 104 SER H H 82 7.738 7.738 7.966 -0.228 17995 2791 1 7 . 1 1 24 24 GLN N N 2 121.730 121.730 120.237 1.493 17995 2792 1 7 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.389 -0.427 17995 2793 1 7 . 1 1 24 24 GLN C C 2 177.291 177.291 177.726 -0.435 17995 2794 1 7 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.441 0.950 17995 2795 1 7 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.417 -0.707 17995 2796 1 7 . 1 1 24 24 GLN H H 2 8.511 8.511 9.092 -0.581 17995 2797 1 7 . 1 1 25 25 HIS N N 3 116.878 116.878 119.798 -2.920 17995 2798 1 7 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.710 0.393 17995 2799 1 7 . 1 1 25 25 HIS C C 3 175.501 175.501 177.389 -1.888 17995 2800 1 7 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.565 -1.218 17995 2801 1 7 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.926 0.701 17995 2802 1 7 . 1 1 25 25 HIS H H 3 8.216 8.216 8.347 -0.131 17995 2803 1 7 . 1 1 26 26 LEU N N 4 121.540 121.540 119.461 2.079 17995 2804 1 7 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.109 -0.416 17995 2805 1 7 . 1 1 26 26 LEU C C 4 177.649 177.649 178.169 -0.520 17995 2806 1 7 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.407 1.296 17995 2807 1 7 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.119 1.216 17995 2808 1 7 . 1 1 26 26 LEU H H 4 7.447 7.447 8.080 -0.633 17995 2809 1 7 . 1 1 27 27 GLU N N 5 118.441 118.441 120.417 -1.976 17995 2810 1 7 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.887 0.004 17995 2811 1 7 . 1 1 27 27 GLU C C 5 178.162 178.162 178.196 -0.034 17995 2812 1 7 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.244 0.378 17995 2813 1 7 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.435 -0.358 17995 2814 1 7 . 1 1 27 27 GLU H H 5 8.561 8.561 7.798 0.763 17995 2815 1 7 . 1 1 28 28 ALA N N 6 122.005 122.005 122.004 0.001 17995 2816 1 7 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.100 0.032 17995 2817 1 7 . 1 1 28 28 ALA C C 6 180.421 180.421 179.873 0.548 17995 2818 1 7 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.730 0.549 17995 2819 1 7 . 1 1 28 28 ALA CB C 6 18.766 18.766 17.940 0.826 17995 2820 1 7 . 1 1 28 28 ALA H H 6 8.205 8.205 8.221 -0.016 17995 2821 1 7 . 1 1 29 29 VAL N N 7 116.985 116.985 119.355 -2.370 17995 2822 1 7 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.689 -0.180 17995 2823 1 7 . 1 1 29 29 VAL C C 7 177.034 177.034 177.543 -0.509 17995 2824 1 7 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.851 0.512 17995 2825 1 7 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.715 -0.276 17995 2826 1 7 . 1 1 29 29 VAL H H 7 8.392 8.392 8.026 0.366 17995 2827 1 7 . 1 1 30 30 ARG N N 8 121.674 121.674 119.181 2.493 17995 2828 1 7 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.047 -0.383 17995 2829 1 7 . 1 1 30 30 ARG C C 8 177.810 177.810 178.529 -0.719 17995 2830 1 7 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.131 1.394 17995 2831 1 7 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.444 1.222 17995 2832 1 7 . 1 1 30 30 ARG H H 8 8.784 8.784 8.303 0.482 17995 2833 1 7 . 1 1 31 31 ASN N N 9 118.102 118.102 118.817 -0.715 17995 2834 1 7 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.497 -0.213 17995 2835 1 7 . 1 1 31 31 ASN C C 9 177.890 177.890 177.099 0.791 17995 2836 1 7 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.958 0.296 17995 2837 1 7 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.208 -0.620 17995 2838 1 7 . 1 1 31 31 ASN H H 9 8.144 8.144 7.981 0.163 17995 2839 1 7 . 1 1 32 32 ILE N N 10 123.614 123.614 120.311 3.303 17995 2840 1 7 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.351 0.441 17995 2841 1 7 . 1 1 32 32 ILE C C 10 177.810 177.810 177.778 0.032 17995 2842 1 7 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.122 0.136 17995 2843 1 7 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.856 0.878 17995 2844 1 7 . 1 1 32 32 ILE H H 10 8.137 8.137 7.521 0.616 17995 2845 1 7 . 1 1 33 33 LEU N N 11 119.797 119.797 119.038 0.759 17995 2846 1 7 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.016 -0.230 17995 2847 1 7 . 1 1 33 33 LEU C C 11 179.039 179.039 179.478 -0.439 17995 2848 1 7 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.756 0.954 17995 2849 1 7 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.362 0.714 17995 2850 1 7 . 1 1 33 33 LEU H H 11 8.637 8.637 8.496 0.141 17995 2851 1 7 . 1 1 34 34 GLY N N 12 103.682 103.682 106.056 -2.374 17995 2852 1 7 . 1 1 34 34 GLY C C 12 175.242 175.242 175.432 -0.190 17995 2853 1 7 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.889 0.829 17995 2854 1 7 . 1 1 34 34 GLY H H 12 8.513 8.513 8.159 0.354 17995 2855 1 7 . 1 1 35 35 ASP N N 13 122.235 122.235 121.487 0.748 17995 2856 1 7 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.668 -0.083 17995 2857 1 7 . 1 1 35 35 ASP C C 13 179.013 179.013 177.833 1.180 17995 2858 1 7 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.129 0.787 17995 2859 1 7 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.387 -0.341 17995 2860 1 7 . 1 1 35 35 ASP H H 13 7.968 7.968 7.728 0.240 17995 2861 1 7 . 1 1 36 36 VAL N N 14 120.841 120.841 119.755 1.086 17995 2862 1 7 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.865 -0.188 17995 2863 1 7 . 1 1 36 36 VAL C C 14 177.797 177.797 177.718 0.079 17995 2864 1 7 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.418 0.586 17995 2865 1 7 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.328 -0.096 17995 2866 1 7 . 1 1 36 36 VAL H H 14 8.765 8.765 8.135 0.630 17995 2867 1 7 . 1 1 37 37 LEU N N 15 114.630 114.630 115.537 -0.907 17995 2868 1 7 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.368 -0.087 17995 2869 1 7 . 1 1 37 37 LEU C C 15 175.483 175.483 176.621 -1.138 17995 2870 1 7 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.523 -0.353 17995 2871 1 7 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.945 -0.251 17995 2872 1 7 . 1 1 37 37 LEU H H 15 7.942 7.942 7.838 0.104 17995 2873 1 7 . 1 1 38 38 ASN N N 16 116.887 116.887 117.017 -0.130 17995 2874 1 7 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.542 -0.008 17995 2875 1 7 . 1 1 38 38 ASN C C 16 175.668 175.668 174.832 0.836 17995 2876 1 7 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.873 0.047 17995 2877 1 7 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.418 -0.560 17995 2878 1 7 . 1 1 38 38 ASN H H 16 7.561 7.561 7.985 -0.424 17995 2879 1 7 . 1 1 39 39 LEU N N 17 114.676 114.676 120.482 -5.806 17995 2880 1 7 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.328 -0.258 17995 2881 1 7 . 1 1 39 39 LEU C C 17 178.415 178.415 177.996 0.419 17995 2882 1 7 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.702 0.042 17995 2883 1 7 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.548 0.728 17995 2884 1 7 . 1 1 39 39 LEU H H 17 8.233 8.233 7.916 0.317 17995 2885 1 7 . 1 1 40 40 GLY N N 18 109.665 109.665 107.671 1.994 17995 2886 1 7 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.929 -0.625 17995 2887 1 7 . 1 1 40 40 GLY H H 18 8.678 8.678 7.784 0.894 17995 2888 1 7 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.199 -0.071 17995 2889 1 7 . 1 1 41 41 GLU C C 19 178.328 178.328 178.233 0.095 17995 2890 1 7 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.483 0.780 17995 2891 1 7 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.891 -0.811 17995 2892 1 7 . 1 1 42 42 ARG N N 20 118.936 118.936 120.387 -1.451 17995 2893 1 7 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.117 0.058 17995 2894 1 7 . 1 1 42 42 ARG C C 20 178.912 178.912 177.808 1.104 17995 2895 1 7 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.795 -0.558 17995 2896 1 7 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.307 -0.251 17995 2897 1 7 . 1 1 42 42 ARG H H 20 7.979 7.979 7.950 0.029 17995 2898 1 7 . 1 1 43 43 LYS N N 21 119.087 119.087 112.285 6.802 17995 2899 1 7 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.165 -0.417 17995 2900 1 7 . 1 1 43 43 LYS C C 21 176.559 176.559 176.875 -0.316 17995 2901 1 7 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.001 1.097 17995 2902 1 7 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.093 0.888 17995 2903 1 7 . 1 1 43 43 LYS H H 21 7.719 7.719 8.227 -0.508 17995 2904 1 7 . 1 1 44 44 HIS N N 22 115.571 115.571 118.403 -2.832 17995 2905 1 7 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.496 -0.068 17995 2906 1 7 . 1 1 44 44 HIS C C 22 176.288 176.288 176.225 0.063 17995 2907 1 7 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.469 -0.685 17995 2908 1 7 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.860 -0.390 17995 2909 1 7 . 1 1 44 44 HIS H H 22 7.124 7.124 8.009 -0.885 17995 2910 1 7 . 1 1 45 45 THR N N 23 107.890 107.890 113.026 -5.136 17995 2911 1 7 . 1 1 45 45 THR HA H 23 4.355 4.355 4.291 0.064 17995 2912 1 7 . 1 1 45 45 THR C C 23 174.650 174.650 175.387 -0.737 17995 2913 1 7 . 1 1 45 45 THR CA C 23 61.627 61.627 64.018 -2.391 17995 2914 1 7 . 1 1 45 45 THR CB C 23 69.475 69.475 69.170 0.305 17995 2915 1 7 . 1 1 45 45 THR H H 23 7.441 7.441 8.025 -0.584 17995 2916 1 7 . 1 1 46 46 LEU N N 24 121.435 121.435 119.361 2.074 17995 2917 1 7 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.715 -0.092 17995 2918 1 7 . 1 1 46 46 LEU C C 24 176.537 176.537 175.758 0.779 17995 2919 1 7 . 1 1 46 46 LEU CA C 24 54.590 54.590 54.597 -0.007 17995 2920 1 7 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.435 0.682 17995 2921 1 7 . 1 1 46 46 LEU H H 24 7.059 7.059 7.375 -0.316 17995 2922 1 7 . 1 1 47 47 THR N N 25 116.104 116.104 112.628 3.476 17995 2923 1 7 . 1 1 47 47 THR HA H 25 4.605 4.605 4.474 0.131 17995 2924 1 7 . 1 1 47 47 THR C C 25 175.526 175.526 175.595 -0.069 17995 2925 1 7 . 1 1 47 47 THR CA C 25 59.878 59.878 60.622 -0.744 17995 2926 1 7 . 1 1 47 47 THR CB C 25 71.752 71.752 70.773 0.979 17995 2927 1 7 . 1 1 47 47 THR H H 25 9.432 9.432 7.720 1.712 17995 2928 1 7 . 1 1 48 48 ALA N N 26 122.234 122.234 121.667 0.567 17995 2929 1 7 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.125 -0.316 17995 2930 1 7 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.851 0.742 17995 2931 1 7 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.492 0.162 17995 2932 1 7 . 1 1 48 48 ALA H H 26 9.142 9.142 8.601 0.541 17995 2933 1 7 . 1 1 49 49 SER HA H 27 4.448 4.448 4.317 0.131 17995 2934 1 7 . 1 1 49 49 SER C C 27 174.637 174.637 174.999 -0.362 17995 2935 1 7 . 1 1 49 49 SER CA C 27 58.348 58.348 59.806 -1.458 17995 2936 1 7 . 1 1 49 49 SER CB C 27 63.704 63.704 63.303 0.401 17995 2937 1 7 . 1 1 50 50 SER N N 28 122.032 122.032 119.030 3.002 17995 2938 1 7 . 1 1 50 50 SER HA H 28 4.269 4.269 4.341 -0.072 17995 2939 1 7 . 1 1 50 50 SER C C 28 172.904 172.904 173.473 -0.569 17995 2940 1 7 . 1 1 50 50 SER CA C 28 60.846 60.846 59.299 1.547 17995 2941 1 7 . 1 1 50 50 SER CB C 28 63.063 63.063 63.595 -0.532 17995 2942 1 7 . 1 1 50 50 SER H H 28 8.157 8.157 7.759 0.398 17995 2943 1 7 . 1 1 51 51 VAL N N 29 127.079 127.079 126.741 0.338 17995 2944 1 7 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.204 0.138 17995 2945 1 7 . 1 1 51 51 VAL C C 29 176.612 176.612 175.883 0.729 17995 2946 1 7 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.163 -0.715 17995 2947 1 7 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.254 -0.029 17995 2948 1 7 . 1 1 51 51 VAL H H 29 8.505 8.505 8.555 -0.050 17995 2949 1 7 . 1 1 52 52 LEU N N 30 126.014 126.014 124.219 1.795 17995 2950 1 7 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.622 0.173 17995 2951 1 7 . 1 1 52 52 LEU C C 30 176.569 176.569 177.470 -0.901 17995 2952 1 7 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.330 -0.798 17995 2953 1 7 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.958 -1.954 17995 2954 1 7 . 1 1 52 52 LEU H H 30 7.954 7.954 8.243 -0.289 17995 2955 1 7 . 1 1 53 53 LEU N N 31 122.601 122.601 120.143 2.458 17995 2956 1 7 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.981 0.105 17995 2957 1 7 . 1 1 53 53 LEU C C 31 177.683 177.683 177.909 -0.226 17995 2958 1 7 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.647 0.727 17995 2959 1 7 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.088 0.731 17995 2960 1 7 . 1 1 53 53 LEU H H 31 7.777 7.777 8.018 -0.241 17995 2961 1 7 . 1 1 54 54 GLY N N 32 114.941 114.941 113.673 1.268 17995 2962 1 7 . 1 1 54 54 GLY C C 32 173.612 173.612 174.356 -0.744 17995 2963 1 7 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.490 0.068 17995 2964 1 7 . 1 1 54 54 GLY H H 32 9.121 9.121 8.669 0.452 17995 2965 1 7 . 1 1 55 55 ASN N N 33 117.901 117.901 120.083 -2.182 17995 2966 1 7 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.715 0.215 17995 2967 1 7 . 1 1 55 55 ASN C C 33 174.458 174.458 176.245 -1.787 17995 2968 1 7 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.546 -0.727 17995 2969 1 7 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.270 2.277 17995 2970 1 7 . 1 1 55 55 ASN H H 33 7.789 7.789 7.800 -0.011 17995 2971 1 7 . 1 1 56 56 ILE N N 34 120.163 120.163 122.221 -2.058 17995 2972 1 7 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.383 0.154 17995 2973 1 7 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.194 -0.194 17995 2974 1 7 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.175 1.918 17995 2975 1 7 . 1 1 56 56 ILE H H 34 7.703 7.703 7.826 -0.123 17995 2976 1 7 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.462 -0.289 17995 2977 1 7 . 1 1 57 57 PRO C C 35 177.969 177.969 176.654 1.315 17995 2978 1 7 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.151 1.125 17995 2979 1 7 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.037 -0.103 17995 2980 1 7 . 1 1 58 58 GLU N N 36 116.701 116.701 116.999 -0.298 17995 2981 1 7 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.424 -0.452 17995 2982 1 7 . 1 1 58 58 GLU C C 36 176.612 176.612 175.687 0.925 17995 2983 1 7 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.665 3.682 17995 2984 1 7 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.675 0.157 17995 2985 1 7 . 1 1 58 58 GLU H H 36 9.581 9.581 8.553 1.028 17995 2986 1 7 . 1 1 59 59 LEU N N 37 121.189 121.189 124.042 -2.853 17995 2987 1 7 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.342 -0.030 17995 2988 1 7 . 1 1 59 59 LEU C C 37 173.353 173.353 175.736 -2.383 17995 2989 1 7 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.720 -1.442 17995 2990 1 7 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.290 0.709 17995 2991 1 7 . 1 1 59 59 LEU H H 37 7.560 7.560 7.233 0.327 17995 2992 1 7 . 1 1 60 60 ASP N N 38 126.468 126.468 124.477 1.991 17995 2993 1 7 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.717 -0.002 17995 2994 1 7 . 1 1 60 60 ASP C C 38 175.828 175.828 177.034 -1.206 17995 2995 1 7 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.009 -1.089 17995 2996 1 7 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.194 -2.638 17995 2997 1 7 . 1 1 60 60 ASP H H 38 7.527 7.527 7.738 -0.211 17995 2998 1 7 . 1 1 61 61 SER N N 39 113.128 113.128 116.618 -3.490 17995 2999 1 7 . 1 1 61 61 SER HA H 39 4.019 4.019 4.067 -0.048 17995 3000 1 7 . 1 1 61 61 SER C C 39 175.854 175.854 176.937 -1.083 17995 3001 1 7 . 1 1 61 61 SER CA C 39 61.276 61.276 61.755 -0.479 17995 3002 1 7 . 1 1 61 61 SER CB C 39 65.520 65.520 62.994 2.526 17995 3003 1 7 . 1 1 61 61 SER H H 39 8.623 8.623 8.518 0.105 17995 3004 1 7 . 1 1 62 62 MET N N 40 121.706 121.706 117.881 3.825 17995 3005 1 7 . 1 1 62 62 MET HA H 40 4.303 4.303 4.202 0.101 17995 3006 1 7 . 1 1 62 62 MET C C 40 177.755 177.755 178.033 -0.278 17995 3007 1 7 . 1 1 62 62 MET CA C 40 57.714 57.714 57.303 0.411 17995 3008 1 7 . 1 1 62 62 MET CB C 40 32.386 32.386 31.744 0.642 17995 3009 1 7 . 1 1 62 62 MET H H 40 7.802 7.802 8.278 -0.476 17995 3010 1 7 . 1 1 63 63 ALA N N 41 124.277 124.277 121.251 3.026 17995 3011 1 7 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.133 0.038 17995 3012 1 7 . 1 1 63 63 ALA C C 41 179.893 179.893 179.485 0.408 17995 3013 1 7 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.693 0.408 17995 3014 1 7 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.920 1.736 17995 3015 1 7 . 1 1 63 63 ALA H H 41 8.295 8.295 7.979 0.316 17995 3016 1 7 . 1 1 64 64 VAL N N 42 118.186 118.186 115.823 2.363 17995 3017 1 7 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.389 -0.396 17995 3018 1 7 . 1 1 64 64 VAL C C 42 177.327 177.327 177.427 -0.100 17995 3019 1 7 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.693 1.619 17995 3020 1 7 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.119 0.073 17995 3021 1 7 . 1 1 64 64 VAL H H 42 8.019 8.019 7.554 0.465 17995 3022 1 7 . 1 1 65 65 VAL N N 43 118.361 118.361 121.266 -2.905 17995 3023 1 7 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.525 0.039 17995 3024 1 7 . 1 1 65 65 VAL C C 43 178.520 178.520 178.155 0.365 17995 3025 1 7 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.428 0.129 17995 3026 1 7 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.177 0.323 17995 3027 1 7 . 1 1 65 65 VAL H H 43 6.942 6.942 7.399 -0.457 17995 3028 1 7 . 1 1 66 66 ASN N N 44 119.476 119.476 118.417 1.059 17995 3029 1 7 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.487 0.075 17995 3030 1 7 . 1 1 66 66 ASN C C 44 178.760 178.760 178.081 0.679 17995 3031 1 7 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.275 -0.439 17995 3032 1 7 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.183 -0.376 17995 3033 1 7 . 1 1 66 66 ASN H H 44 7.789 7.789 8.010 -0.221 17995 3034 1 7 . 1 1 67 67 VAL N N 45 124.029 124.029 117.549 6.480 17995 3035 1 7 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.933 -0.315 17995 3036 1 7 . 1 1 67 67 VAL C C 45 177.100 177.100 177.836 -0.736 17995 3037 1 7 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.776 1.589 17995 3038 1 7 . 1 1 67 67 VAL CB C 45 31.460 31.460 30.994 0.466 17995 3039 1 7 . 1 1 67 67 VAL H H 45 9.055 9.055 7.829 1.226 17995 3040 1 7 . 1 1 68 68 ILE N N 46 121.006 121.006 121.704 -0.698 17995 3041 1 7 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.693 0.095 17995 3042 1 7 . 1 1 68 68 ILE C C 46 177.871 177.871 178.051 -0.180 17995 3043 1 7 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.746 -0.484 17995 3044 1 7 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.355 -1.188 17995 3045 1 7 . 1 1 68 68 ILE H H 46 8.509 8.509 7.947 0.562 17995 3046 1 7 . 1 1 69 69 THR N N 47 116.096 116.096 116.201 -0.105 17995 3047 1 7 . 1 1 69 69 THR HA H 47 4.391 4.391 3.878 0.513 17995 3048 1 7 . 1 1 69 69 THR C C 47 176.365 176.365 176.183 0.182 17995 3049 1 7 . 1 1 69 69 THR CA C 47 66.256 66.256 67.016 -0.760 17995 3050 1 7 . 1 1 69 69 THR CB C 47 69.098 69.098 68.648 0.450 17995 3051 1 7 . 1 1 69 69 THR H H 47 8.512 8.512 7.888 0.624 17995 3052 1 7 . 1 1 70 70 ALA N N 48 123.948 123.948 124.307 -0.359 17995 3053 1 7 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.331 -0.028 17995 3054 1 7 . 1 1 70 70 ALA C C 48 181.452 181.452 179.680 1.772 17995 3055 1 7 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.097 0.086 17995 3056 1 7 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.255 1.167 17995 3057 1 7 . 1 1 70 70 ALA H H 48 7.802 7.802 7.860 -0.058 17995 3058 1 7 . 1 1 71 71 LEU N N 49 121.199 121.199 120.102 1.097 17995 3059 1 7 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.287 -0.064 17995 3060 1 7 . 1 1 71 71 LEU C C 49 178.192 178.192 179.364 -1.172 17995 3061 1 7 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.344 0.217 17995 3062 1 7 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.941 1.510 17995 3063 1 7 . 1 1 71 71 LEU H H 49 8.802 8.802 8.419 0.383 17995 3064 1 7 . 1 1 72 72 GLU N N 50 119.782 119.782 118.309 1.473 17995 3065 1 7 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.648 -0.158 17995 3066 1 7 . 1 1 72 72 GLU C C 50 180.303 180.303 179.358 0.945 17995 3067 1 7 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.031 0.820 17995 3068 1 7 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.814 2.294 17995 3069 1 7 . 1 1 72 72 GLU H H 50 8.762 8.762 7.892 0.870 17995 3070 1 7 . 1 1 73 73 GLU N N 51 116.902 116.902 118.862 -1.960 17995 3071 1 7 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.102 -0.050 17995 3072 1 7 . 1 1 73 73 GLU C C 51 178.334 178.334 179.022 -0.688 17995 3073 1 7 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.812 -0.194 17995 3074 1 7 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.475 0.607 17995 3075 1 7 . 1 1 73 73 GLU H H 51 7.953 7.953 7.844 0.109 17995 3076 1 7 . 1 1 74 74 TYR N N 52 119.999 119.999 117.263 2.736 17995 3077 1 7 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.304 -0.422 17995 3078 1 7 . 1 1 74 74 TYR C C 52 177.384 177.384 178.142 -0.758 17995 3079 1 7 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.158 0.442 17995 3080 1 7 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.700 0.945 17995 3081 1 7 . 1 1 74 74 TYR H H 52 8.078 8.078 8.147 -0.069 17995 3082 1 7 . 1 1 75 75 PHE N N 53 113.650 113.650 115.112 -1.462 17995 3083 1 7 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.534 -0.348 17995 3084 1 7 . 1 1 75 75 PHE C C 53 174.485 174.485 175.545 -1.060 17995 3085 1 7 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.790 -0.546 17995 3086 1 7 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.782 0.258 17995 3087 1 7 . 1 1 75 75 PHE H H 53 8.244 8.244 8.263 -0.019 17995 3088 1 7 . 1 1 76 76 ASP N N 54 119.712 119.712 118.263 1.449 17995 3089 1 7 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.546 -0.166 17995 3090 1 7 . 1 1 76 76 ASP C C 54 174.118 174.118 175.437 -1.319 17995 3091 1 7 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.497 -0.634 17995 3092 1 7 . 1 1 76 76 ASP CB C 54 39.156 39.156 38.900 0.256 17995 3093 1 7 . 1 1 76 76 ASP H H 54 7.596 7.596 8.222 -0.626 17995 3094 1 7 . 1 1 77 77 PHE N N 55 113.804 113.804 116.346 -2.542 17995 3095 1 7 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.937 0.138 17995 3096 1 7 . 1 1 77 77 PHE C C 55 174.384 174.384 173.339 1.045 17995 3097 1 7 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.464 -1.028 17995 3098 1 7 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.944 -0.313 17995 3099 1 7 . 1 1 77 77 PHE H H 55 7.725 7.725 7.466 0.259 17995 3100 1 7 . 1 1 78 78 SER N N 56 114.319 114.319 115.986 -1.667 17995 3101 1 7 . 1 1 78 78 SER HA H 56 5.149 5.149 4.678 0.471 17995 3102 1 7 . 1 1 78 78 SER C C 56 174.100 174.100 173.645 0.455 17995 3103 1 7 . 1 1 78 78 SER CA C 56 56.800 56.800 56.373 0.427 17995 3104 1 7 . 1 1 78 78 SER CB C 56 65.011 65.011 63.752 1.259 17995 3105 1 7 . 1 1 78 78 SER H H 56 8.727 8.727 8.391 0.336 17995 3106 1 7 . 1 1 79 79 VAL N N 57 128.316 128.316 126.590 1.726 17995 3107 1 7 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.158 0.086 17995 3108 1 7 . 1 1 79 79 VAL C C 57 175.637 175.637 175.456 0.181 17995 3109 1 7 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.749 -0.995 17995 3110 1 7 . 1 1 79 79 VAL CB C 57 32.873 32.873 33.205 -0.332 17995 3111 1 7 . 1 1 79 79 VAL H H 57 10.222 10.222 8.123 2.099 17995 3112 1 7 . 1 1 80 80 ASP N N 58 130.058 130.058 126.223 3.835 17995 3113 1 7 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.699 0.147 17995 3114 1 7 . 1 1 80 80 ASP C C 58 177.205 177.205 176.423 0.782 17995 3115 1 7 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.122 -0.646 17995 3116 1 7 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.541 -0.875 17995 3117 1 7 . 1 1 80 80 ASP H H 58 9.396 9.396 8.241 1.155 17995 3118 1 7 . 1 1 81 81 ASP N N 59 122.564 122.564 123.748 -1.184 17995 3119 1 7 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.432 -0.152 17995 3120 1 7 . 1 1 81 81 ASP C C 59 177.291 177.291 177.817 -0.526 17995 3121 1 7 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.876 0.584 17995 3122 1 7 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.252 -0.522 17995 3123 1 7 . 1 1 81 81 ASP H H 59 8.696 8.696 8.788 -0.092 17995 3124 1 7 . 1 1 82 82 ASP N N 60 115.817 115.817 119.230 -3.413 17995 3125 1 7 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.482 0.077 17995 3126 1 7 . 1 1 82 82 ASP C C 60 176.939 176.939 177.229 -0.290 17995 3127 1 7 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.155 -1.294 17995 3128 1 7 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.839 -0.424 17995 3129 1 7 . 1 1 82 82 ASP H H 60 8.460 8.460 8.134 0.326 17995 3130 1 7 . 1 1 83 83 GLU N N 61 118.478 118.478 117.878 0.600 17995 3131 1 7 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.243 0.058 17995 3132 1 7 . 1 1 83 83 GLU C C 61 175.841 175.841 176.675 -0.834 17995 3133 1 7 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.824 0.480 17995 3134 1 7 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.101 1.390 17995 3135 1 7 . 1 1 83 83 GLU H H 61 7.903 7.903 7.857 0.046 17995 3136 1 7 . 1 1 84 84 ILE N N 62 117.759 117.759 122.104 -4.345 17995 3137 1 7 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.606 0.559 17995 3138 1 7 . 1 1 84 84 ILE C C 62 174.069 174.069 175.197 -1.128 17995 3139 1 7 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.776 -2.281 17995 3140 1 7 . 1 1 84 84 ILE CB C 62 39.135 39.135 38.123 1.012 17995 3141 1 7 . 1 1 84 84 ILE H H 62 7.396 7.396 7.335 0.061 17995 3142 1 7 . 1 1 85 85 SER N N 63 119.980 119.980 120.807 -0.827 17995 3143 1 7 . 1 1 85 85 SER HA H 63 4.789 4.789 4.703 0.086 17995 3144 1 7 . 1 1 85 85 SER CA C 63 56.772 56.772 55.995 0.777 17995 3145 1 7 . 1 1 85 85 SER CB C 63 66.916 66.916 65.631 1.285 17995 3146 1 7 . 1 1 85 85 SER H H 63 8.384 8.384 8.238 0.146 17995 3147 1 7 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.424 -0.397 17995 3148 1 7 . 1 1 86 86 ALA C C 64 180.211 180.211 179.230 0.981 17995 3149 1 7 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.743 0.757 17995 3150 1 7 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.806 -0.796 17995 3151 1 7 . 1 1 87 87 GLN N N 65 116.123 116.123 115.371 0.752 17995 3152 1 7 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.182 -0.117 17995 3153 1 7 . 1 1 87 87 GLN C C 65 178.564 178.564 177.399 1.165 17995 3154 1 7 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.700 1.039 17995 3155 1 7 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.774 0.669 17995 3156 1 7 . 1 1 87 87 GLN H H 65 7.990 7.990 7.838 0.152 17995 3157 1 7 . 1 1 88 88 THR N N 66 119.153 119.153 116.439 2.714 17995 3158 1 7 . 1 1 88 88 THR HA H 66 3.631 3.631 4.241 -0.610 17995 3159 1 7 . 1 1 88 88 THR C C 66 174.748 174.748 176.129 -1.381 17995 3160 1 7 . 1 1 88 88 THR CA C 66 66.591 66.591 65.963 0.628 17995 3161 1 7 . 1 1 88 88 THR CB C 66 68.702 68.702 68.667 0.035 17995 3162 1 7 . 1 1 88 88 THR H H 66 7.738 7.738 7.537 0.201 17995 3163 1 7 . 1 1 89 89 PHE N N 67 115.088 115.088 119.004 -3.916 17995 3164 1 7 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.608 -0.371 17995 3165 1 7 . 1 1 89 89 PHE C C 67 173.600 173.600 176.777 -3.177 17995 3166 1 7 . 1 1 89 89 PHE CA C 67 57.522 57.522 58.811 -1.289 17995 3167 1 7 . 1 1 89 89 PHE CB C 67 39.706 39.706 37.706 2.000 17995 3168 1 7 . 1 1 89 89 PHE H H 67 7.180 7.180 7.565 -0.385 17995 3169 1 7 . 1 1 90 90 GLU N N 68 122.222 122.222 118.830 3.392 17995 3170 1 7 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.102 0.065 17995 3171 1 7 . 1 1 90 90 GLU C C 68 178.581 178.581 176.919 1.662 17995 3172 1 7 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.185 1.541 17995 3173 1 7 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.940 0.808 17995 3174 1 7 . 1 1 90 90 GLU H H 68 7.421 7.421 8.166 -0.745 17995 3175 1 7 . 1 1 91 91 THR N N 69 106.383 106.383 111.370 -4.987 17995 3176 1 7 . 1 1 91 91 THR HA H 69 5.477 5.477 4.860 0.617 17995 3177 1 7 . 1 1 91 91 THR C C 69 174.775 174.775 173.804 0.971 17995 3178 1 7 . 1 1 91 91 THR CA C 69 58.798 58.798 59.844 -1.046 17995 3179 1 7 . 1 1 91 91 THR CB C 69 74.841 74.841 71.394 3.447 17995 3180 1 7 . 1 1 91 91 THR H H 69 8.534 8.534 7.298 1.236 17995 3181 1 7 . 1 1 92 92 LEU N N 70 120.326 120.326 124.111 -3.785 17995 3182 1 7 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.204 -0.061 17995 3183 1 7 . 1 1 92 92 LEU C C 70 178.174 178.174 177.889 0.285 17995 3184 1 7 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.289 0.977 17995 3185 1 7 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.257 -1.387 17995 3186 1 7 . 1 1 92 92 LEU H H 70 7.991 7.991 8.907 -0.916 17995 3187 1 7 . 1 1 93 93 GLY N N 71 106.588 106.588 104.974 1.614 17995 3188 1 7 . 1 1 93 93 GLY C C 71 175.300 175.300 176.166 -0.866 17995 3189 1 7 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.414 -0.077 17995 3190 1 7 . 1 1 93 93 GLY H H 71 9.019 9.019 8.279 0.740 17995 3191 1 7 . 1 1 94 94 SER N N 72 120.200 120.200 118.441 1.759 17995 3192 1 7 . 1 1 94 94 SER HA H 72 4.090 4.090 4.247 -0.157 17995 3193 1 7 . 1 1 94 94 SER C C 72 177.631 177.631 176.650 0.981 17995 3194 1 7 . 1 1 94 94 SER CA C 72 62.329 62.329 61.571 0.758 17995 3195 1 7 . 1 1 94 94 SER H H 72 8.709 8.709 7.402 1.307 17995 3196 1 7 . 1 1 95 95 LEU N N 73 129.169 129.169 121.906 7.263 17995 3197 1 7 . 1 1 95 95 LEU HA H 73 4.240 4.240 4.036 0.204 17995 3198 1 7 . 1 1 95 95 LEU C C 73 176.439 176.439 179.057 -2.618 17995 3199 1 7 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.752 0.050 17995 3200 1 7 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.651 1.208 17995 3201 1 7 . 1 1 95 95 LEU H H 73 7.800 7.800 7.495 0.305 17995 3202 1 7 . 1 1 96 96 ALA N N 74 121.721 121.721 121.317 0.404 17995 3203 1 7 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.025 -0.036 17995 3204 1 7 . 1 1 96 96 ALA C C 74 180.456 180.456 179.840 0.616 17995 3205 1 7 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.166 0.536 17995 3206 1 7 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.398 -0.683 17995 3207 1 7 . 1 1 96 96 ALA H H 74 8.612 8.612 8.204 0.408 17995 3208 1 7 . 1 1 97 97 LEU N N 75 122.095 122.095 119.777 2.318 17995 3209 1 7 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.941 0.116 17995 3210 1 7 . 1 1 97 97 LEU C C 75 178.805 178.805 178.989 -0.184 17995 3211 1 7 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.778 -0.009 17995 3212 1 7 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.842 0.980 17995 3213 1 7 . 1 1 97 97 LEU H H 75 8.777 8.777 7.711 1.066 17995 3214 1 7 . 1 1 98 98 PHE N N 76 122.741 122.741 117.559 5.182 17995 3215 1 7 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.328 -0.066 17995 3216 1 7 . 1 1 98 98 PHE C C 76 176.878 176.878 178.617 -1.739 17995 3217 1 7 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.430 -1.198 17995 3218 1 7 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.531 0.018 17995 3219 1 7 . 1 1 98 98 PHE H H 76 7.889 7.889 8.026 -0.137 17995 3220 1 7 . 1 1 99 99 VAL N N 77 119.641 119.641 115.167 4.474 17995 3221 1 7 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.325 -0.547 17995 3222 1 7 . 1 1 99 99 VAL C C 77 176.414 176.414 177.431 -1.017 17995 3223 1 7 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.757 1.211 17995 3224 1 7 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.933 0.253 17995 3225 1 7 . 1 1 99 99 VAL H H 77 7.599 7.599 8.048 -0.449 17995 3226 1 7 . 1 1 100 100 GLU N N 78 118.850 118.850 121.955 -3.105 17995 3227 1 7 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.144 -0.371 17995 3228 1 7 . 1 1 100 100 GLU C C 78 179.007 179.007 179.156 -0.149 17995 3229 1 7 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.127 0.413 17995 3230 1 7 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.629 1.149 17995 3231 1 7 . 1 1 100 100 GLU H H 78 7.740 7.740 7.987 -0.247 17995 3232 1 7 . 1 1 101 101 HIS N N 79 120.328 120.328 118.157 2.171 17995 3233 1 7 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.246 -0.045 17995 3234 1 7 . 1 1 101 101 HIS C C 79 178.242 178.242 177.716 0.526 17995 3235 1 7 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.561 -0.323 17995 3236 1 7 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.800 0.138 17995 3237 1 7 . 1 1 101 101 HIS H H 79 8.354 8.354 7.848 0.506 17995 3238 1 7 . 1 1 102 102 LYS N N 80 121.044 121.044 117.005 4.039 17995 3239 1 7 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.185 -0.618 17995 3240 1 7 . 1 1 102 102 LYS C C 80 179.199 179.199 178.426 0.773 17995 3241 1 7 . 1 1 102 102 LYS CA C 80 56.987 56.987 57.745 -0.758 17995 3242 1 7 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.829 -1.653 17995 3243 1 7 . 1 1 102 102 LYS H H 80 7.908 7.908 7.728 0.180 17995 3244 1 7 . 1 1 103 103 LEU N N 81 118.698 118.698 117.035 1.663 17995 3245 1 7 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.323 -0.165 17995 3246 1 7 . 1 1 103 103 LEU C C 81 178.593 178.593 178.053 0.540 17995 3247 1 7 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.634 0.762 17995 3248 1 7 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.526 0.783 17995 3249 1 7 . 1 1 103 103 LEU H H 81 7.784 7.784 7.782 0.002 17995 3250 1 7 . 1 1 104 104 SER N N 82 114.826 114.826 112.386 2.440 17995 3251 1 7 . 1 1 104 104 SER HA H 82 4.358 4.358 4.582 -0.224 17995 3252 1 7 . 1 1 104 104 SER C C 82 174.810 174.810 173.792 1.018 17995 3253 1 7 . 1 1 104 104 SER CA C 82 59.567 59.567 59.281 0.286 17995 3254 1 7 . 1 1 104 104 SER CB C 82 63.859 63.859 64.498 -0.639 17995 3255 1 7 . 1 1 104 104 SER H H 82 7.738 7.738 7.817 -0.079 17995 3256 1 8 . 1 1 24 24 GLN N N 2 121.730 121.730 127.089 -5.359 17995 3257 1 8 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.092 -0.130 17995 3258 1 8 . 1 1 24 24 GLN C C 2 177.291 177.291 177.803 -0.512 17995 3259 1 8 . 1 1 24 24 GLN CA C 2 58.391 58.391 58.679 -0.288 17995 3260 1 8 . 1 1 24 24 GLN CB C 2 28.710 28.710 28.595 0.115 17995 3261 1 8 . 1 1 24 24 GLN H H 2 8.511 8.511 9.113 -0.602 17995 3262 1 8 . 1 1 25 25 HIS N N 3 116.878 116.878 119.566 -2.688 17995 3263 1 8 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.659 0.444 17995 3264 1 8 . 1 1 25 25 HIS C C 3 175.501 175.501 177.205 -1.704 17995 3265 1 8 . 1 1 25 25 HIS CA C 3 56.347 56.347 55.754 0.593 17995 3266 1 8 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.275 1.352 17995 3267 1 8 . 1 1 25 25 HIS H H 3 8.216 8.216 8.304 -0.088 17995 3268 1 8 . 1 1 26 26 LEU N N 4 121.540 121.540 120.101 1.439 17995 3269 1 8 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.134 -0.441 17995 3270 1 8 . 1 1 26 26 LEU C C 4 177.649 177.649 178.341 -0.692 17995 3271 1 8 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.210 1.493 17995 3272 1 8 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.536 0.798 17995 3273 1 8 . 1 1 26 26 LEU H H 4 7.447 7.447 7.797 -0.350 17995 3274 1 8 . 1 1 27 27 GLU N N 5 118.441 118.441 120.309 -1.868 17995 3275 1 8 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.936 -0.045 17995 3276 1 8 . 1 1 27 27 GLU C C 5 178.162 178.162 178.345 -0.183 17995 3277 1 8 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.371 0.251 17995 3278 1 8 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.109 -0.032 17995 3279 1 8 . 1 1 27 27 GLU H H 5 8.561 8.561 7.808 0.753 17995 3280 1 8 . 1 1 28 28 ALA N N 6 122.005 122.005 121.510 0.495 17995 3281 1 8 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.120 0.012 17995 3282 1 8 . 1 1 28 28 ALA C C 6 180.421 180.421 180.054 0.367 17995 3283 1 8 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.856 0.423 17995 3284 1 8 . 1 1 28 28 ALA CB C 6 18.766 18.766 17.939 0.827 17995 3285 1 8 . 1 1 28 28 ALA H H 6 8.205 8.205 7.660 0.545 17995 3286 1 8 . 1 1 29 29 VAL N N 7 116.985 116.985 119.402 -2.417 17995 3287 1 8 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.819 -0.310 17995 3288 1 8 . 1 1 29 29 VAL C C 7 177.034 177.034 177.990 -0.956 17995 3289 1 8 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.791 0.572 17995 3290 1 8 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.154 0.285 17995 3291 1 8 . 1 1 29 29 VAL H H 7 8.392 8.392 8.137 0.255 17995 3292 1 8 . 1 1 30 30 ARG N N 8 121.674 121.674 119.230 2.444 17995 3293 1 8 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.018 -0.354 17995 3294 1 8 . 1 1 30 30 ARG C C 8 177.810 177.810 178.340 -0.530 17995 3295 1 8 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.358 1.167 17995 3296 1 8 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.402 1.264 17995 3297 1 8 . 1 1 30 30 ARG H H 8 8.784 8.784 8.356 0.428 17995 3298 1 8 . 1 1 31 31 ASN N N 9 118.102 118.102 118.879 -0.777 17995 3299 1 8 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.509 -0.225 17995 3300 1 8 . 1 1 31 31 ASN C C 9 177.890 177.890 177.296 0.594 17995 3301 1 8 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.061 0.193 17995 3302 1 8 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.169 -0.581 17995 3303 1 8 . 1 1 31 31 ASN H H 9 8.144 8.144 7.953 0.191 17995 3304 1 8 . 1 1 32 32 ILE N N 10 123.614 123.614 120.254 3.360 17995 3305 1 8 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.399 0.393 17995 3306 1 8 . 1 1 32 32 ILE C C 10 177.810 177.810 177.754 0.056 17995 3307 1 8 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.111 0.147 17995 3308 1 8 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.870 0.864 17995 3309 1 8 . 1 1 32 32 ILE H H 10 8.137 8.137 7.607 0.530 17995 3310 1 8 . 1 1 33 33 LEU N N 11 119.797 119.797 119.918 -0.121 17995 3311 1 8 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.972 -0.186 17995 3312 1 8 . 1 1 33 33 LEU C C 11 179.039 179.039 179.460 -0.421 17995 3313 1 8 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.103 0.607 17995 3314 1 8 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.403 0.673 17995 3315 1 8 . 1 1 33 33 LEU H H 11 8.637 8.637 8.420 0.217 17995 3316 1 8 . 1 1 34 34 GLY N N 12 103.682 103.682 105.160 -1.478 17995 3317 1 8 . 1 1 34 34 GLY C C 12 175.242 175.242 175.643 -0.401 17995 3318 1 8 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.501 1.217 17995 3319 1 8 . 1 1 34 34 GLY H H 12 8.513 8.513 8.353 0.160 17995 3320 1 8 . 1 1 35 35 ASP N N 13 122.235 122.235 121.862 0.373 17995 3321 1 8 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.500 0.085 17995 3322 1 8 . 1 1 35 35 ASP C C 13 179.013 179.013 177.881 1.132 17995 3323 1 8 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.518 0.398 17995 3324 1 8 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.145 -0.099 17995 3325 1 8 . 1 1 35 35 ASP H H 13 7.968 7.968 7.694 0.274 17995 3326 1 8 . 1 1 36 36 VAL N N 14 120.841 120.841 119.591 1.250 17995 3327 1 8 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.846 -0.169 17995 3328 1 8 . 1 1 36 36 VAL C C 14 177.797 177.797 177.723 0.074 17995 3329 1 8 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.847 0.157 17995 3330 1 8 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.179 0.052 17995 3331 1 8 . 1 1 36 36 VAL H H 14 8.765 8.765 8.005 0.760 17995 3332 1 8 . 1 1 37 37 LEU N N 15 114.630 114.630 115.339 -0.709 17995 3333 1 8 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.294 -0.013 17995 3334 1 8 . 1 1 37 37 LEU C C 15 175.483 175.483 176.091 -0.608 17995 3335 1 8 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.700 -0.530 17995 3336 1 8 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.043 -1.349 17995 3337 1 8 . 1 1 37 37 LEU H H 15 7.942 7.942 7.852 0.090 17995 3338 1 8 . 1 1 38 38 ASN N N 16 116.887 116.887 116.387 0.500 17995 3339 1 8 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.547 -0.013 17995 3340 1 8 . 1 1 38 38 ASN C C 16 175.668 175.668 174.809 0.859 17995 3341 1 8 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.900 0.020 17995 3342 1 8 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.387 -0.529 17995 3343 1 8 . 1 1 38 38 ASN H H 16 7.561 7.561 8.181 -0.620 17995 3344 1 8 . 1 1 39 39 LEU N N 17 114.676 114.676 119.232 -4.556 17995 3345 1 8 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.322 -0.252 17995 3346 1 8 . 1 1 39 39 LEU C C 17 178.415 178.415 177.776 0.639 17995 3347 1 8 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.475 0.269 17995 3348 1 8 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.590 0.686 17995 3349 1 8 . 1 1 39 39 LEU H H 17 8.233 8.233 8.003 0.230 17995 3350 1 8 . 1 1 40 40 GLY N N 18 109.665 109.665 107.511 2.154 17995 3351 1 8 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.724 -0.419 17995 3352 1 8 . 1 1 40 40 GLY H H 18 8.678 8.678 7.767 0.911 17995 3353 1 8 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.327 -0.199 17995 3354 1 8 . 1 1 41 41 GLU C C 19 178.328 178.328 177.839 0.489 17995 3355 1 8 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.216 1.048 17995 3356 1 8 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.490 -0.410 17995 3357 1 8 . 1 1 42 42 ARG N N 20 118.936 118.936 121.935 -2.999 17995 3358 1 8 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.082 0.093 17995 3359 1 8 . 1 1 42 42 ARG C C 20 178.912 178.912 177.435 1.477 17995 3360 1 8 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.752 -0.515 17995 3361 1 8 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.033 0.023 17995 3362 1 8 . 1 1 42 42 ARG H H 20 7.979 7.979 7.819 0.161 17995 3363 1 8 . 1 1 43 43 LYS N N 21 119.087 119.087 115.246 3.841 17995 3364 1 8 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.127 -0.379 17995 3365 1 8 . 1 1 43 43 LYS C C 21 176.559 176.559 178.431 -1.872 17995 3366 1 8 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.864 0.234 17995 3367 1 8 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.705 0.276 17995 3368 1 8 . 1 1 43 43 LYS H H 21 7.719 7.719 8.209 -0.490 17995 3369 1 8 . 1 1 44 44 HIS N N 22 115.571 115.571 117.076 -1.505 17995 3370 1 8 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.628 -0.200 17995 3371 1 8 . 1 1 44 44 HIS C C 22 176.288 176.288 175.283 1.005 17995 3372 1 8 . 1 1 44 44 HIS CA C 22 57.784 57.784 57.597 0.187 17995 3373 1 8 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.876 -0.406 17995 3374 1 8 . 1 1 44 44 HIS H H 22 7.124 7.124 7.708 -0.584 17995 3375 1 8 . 1 1 45 45 THR N N 23 107.890 107.890 112.891 -5.001 17995 3376 1 8 . 1 1 45 45 THR HA H 23 4.355 4.355 4.272 0.083 17995 3377 1 8 . 1 1 45 45 THR C C 23 174.650 174.650 174.716 -0.066 17995 3378 1 8 . 1 1 45 45 THR CA C 23 61.627 61.627 61.917 -0.290 17995 3379 1 8 . 1 1 45 45 THR CB C 23 69.475 69.475 68.603 0.872 17995 3380 1 8 . 1 1 45 45 THR H H 23 7.441 7.441 7.504 -0.063 17995 3381 1 8 . 1 1 46 46 LEU N N 24 121.435 121.435 119.906 1.529 17995 3382 1 8 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.886 -0.263 17995 3383 1 8 . 1 1 46 46 LEU C C 24 176.537 176.537 175.329 1.208 17995 3384 1 8 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.582 1.008 17995 3385 1 8 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.151 -0.034 17995 3386 1 8 . 1 1 46 46 LEU H H 24 7.059 7.059 7.222 -0.163 17995 3387 1 8 . 1 1 47 47 THR N N 25 116.104 116.104 113.277 2.827 17995 3388 1 8 . 1 1 47 47 THR HA H 25 4.605 4.605 4.660 -0.055 17995 3389 1 8 . 1 1 47 47 THR C C 25 175.526 175.526 175.014 0.512 17995 3390 1 8 . 1 1 47 47 THR CA C 25 59.878 59.878 59.085 0.793 17995 3391 1 8 . 1 1 47 47 THR CB C 25 71.752 71.752 71.798 -0.046 17995 3392 1 8 . 1 1 47 47 THR H H 25 9.432 9.432 8.004 1.428 17995 3393 1 8 . 1 1 48 48 ALA N N 26 122.234 122.234 120.639 1.595 17995 3394 1 8 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.229 -0.420 17995 3395 1 8 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.908 0.684 17995 3396 1 8 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.439 0.215 17995 3397 1 8 . 1 1 48 48 ALA H H 26 9.142 9.142 8.572 0.570 17995 3398 1 8 . 1 1 49 49 SER HA H 27 4.448 4.448 4.432 0.016 17995 3399 1 8 . 1 1 49 49 SER C C 27 174.637 174.637 174.247 0.390 17995 3400 1 8 . 1 1 49 49 SER CA C 27 58.348 58.348 58.400 -0.052 17995 3401 1 8 . 1 1 49 49 SER CB C 27 63.704 63.704 63.320 0.384 17995 3402 1 8 . 1 1 50 50 SER N N 28 122.032 122.032 117.896 4.136 17995 3403 1 8 . 1 1 50 50 SER HA H 28 4.269 4.269 4.476 -0.207 17995 3404 1 8 . 1 1 50 50 SER C C 28 172.904 172.904 174.241 -1.337 17995 3405 1 8 . 1 1 50 50 SER CA C 28 60.846 60.846 57.634 3.212 17995 3406 1 8 . 1 1 50 50 SER CB C 28 63.063 63.063 63.551 -0.488 17995 3407 1 8 . 1 1 50 50 SER H H 28 8.157 8.157 7.441 0.716 17995 3408 1 8 . 1 1 51 51 VAL N N 29 127.079 127.079 125.593 1.486 17995 3409 1 8 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.042 0.300 17995 3410 1 8 . 1 1 51 51 VAL C C 29 176.612 176.612 175.730 0.882 17995 3411 1 8 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.811 -0.363 17995 3412 1 8 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.554 -0.329 17995 3413 1 8 . 1 1 51 51 VAL H H 29 8.505 8.505 8.511 -0.006 17995 3414 1 8 . 1 1 52 52 LEU N N 30 126.014 126.014 125.542 0.472 17995 3415 1 8 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.628 0.167 17995 3416 1 8 . 1 1 52 52 LEU C C 30 176.569 176.569 176.930 -0.361 17995 3417 1 8 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.995 -1.463 17995 3418 1 8 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.826 -1.822 17995 3419 1 8 . 1 1 52 52 LEU H H 30 7.954 7.954 8.529 -0.575 17995 3420 1 8 . 1 1 53 53 LEU N N 31 122.601 122.601 120.411 2.190 17995 3421 1 8 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.892 0.194 17995 3422 1 8 . 1 1 53 53 LEU C C 31 177.683 177.683 177.636 0.047 17995 3423 1 8 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.764 0.610 17995 3424 1 8 . 1 1 53 53 LEU CB C 31 41.819 41.819 42.077 -0.258 17995 3425 1 8 . 1 1 53 53 LEU H H 31 7.777 7.777 7.696 0.081 17995 3426 1 8 . 1 1 54 54 GLY N N 32 114.941 114.941 114.509 0.432 17995 3427 1 8 . 1 1 54 54 GLY C C 32 173.612 173.612 174.357 -0.745 17995 3428 1 8 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.925 -0.367 17995 3429 1 8 . 1 1 54 54 GLY H H 32 9.121 9.121 8.889 0.232 17995 3430 1 8 . 1 1 55 55 ASN N N 33 117.901 117.901 119.764 -1.863 17995 3431 1 8 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.807 0.123 17995 3432 1 8 . 1 1 55 55 ASN C C 33 174.458 174.458 176.329 -1.871 17995 3433 1 8 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.040 -0.221 17995 3434 1 8 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.881 1.666 17995 3435 1 8 . 1 1 55 55 ASN H H 33 7.789 7.789 7.723 0.066 17995 3436 1 8 . 1 1 56 56 ILE N N 34 120.163 120.163 122.571 -2.408 17995 3437 1 8 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.366 0.171 17995 3438 1 8 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.161 -0.160 17995 3439 1 8 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.539 1.554 17995 3440 1 8 . 1 1 56 56 ILE H H 34 7.703 7.703 8.116 -0.413 17995 3441 1 8 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.394 -0.221 17995 3442 1 8 . 1 1 57 57 PRO C C 35 177.969 177.969 176.782 1.187 17995 3443 1 8 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.254 1.022 17995 3444 1 8 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.994 -0.060 17995 3445 1 8 . 1 1 58 58 GLU N N 36 116.701 116.701 116.730 -0.029 17995 3446 1 8 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.360 -0.388 17995 3447 1 8 . 1 1 58 58 GLU C C 36 176.612 176.612 175.981 0.631 17995 3448 1 8 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.056 3.291 17995 3449 1 8 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.785 0.047 17995 3450 1 8 . 1 1 58 58 GLU H H 36 9.581 9.581 8.560 1.021 17995 3451 1 8 . 1 1 59 59 LEU N N 37 121.189 121.189 123.530 -2.341 17995 3452 1 8 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.346 -0.034 17995 3453 1 8 . 1 1 59 59 LEU C C 37 173.353 173.353 175.716 -2.363 17995 3454 1 8 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.979 -1.701 17995 3455 1 8 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.471 0.527 17995 3456 1 8 . 1 1 59 59 LEU H H 37 7.560 7.560 7.399 0.161 17995 3457 1 8 . 1 1 60 60 ASP N N 38 126.468 126.468 124.870 1.598 17995 3458 1 8 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.791 -0.076 17995 3459 1 8 . 1 1 60 60 ASP C C 38 175.828 175.828 177.075 -1.247 17995 3460 1 8 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.075 -1.155 17995 3461 1 8 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.108 -2.552 17995 3462 1 8 . 1 1 60 60 ASP H H 38 7.527 7.527 7.750 -0.223 17995 3463 1 8 . 1 1 61 61 SER N N 39 113.128 113.128 116.120 -2.992 17995 3464 1 8 . 1 1 61 61 SER HA H 39 4.019 4.019 4.164 -0.145 17995 3465 1 8 . 1 1 61 61 SER C C 39 175.854 175.854 176.764 -0.910 17995 3466 1 8 . 1 1 61 61 SER CA C 39 61.276 61.276 62.043 -0.767 17995 3467 1 8 . 1 1 61 61 SER CB C 39 65.520 65.520 63.006 2.514 17995 3468 1 8 . 1 1 61 61 SER H H 39 8.623 8.623 8.604 0.019 17995 3469 1 8 . 1 1 62 62 MET N N 40 121.706 121.706 119.423 2.283 17995 3470 1 8 . 1 1 62 62 MET HA H 40 4.303 4.303 4.293 0.010 17995 3471 1 8 . 1 1 62 62 MET C C 40 177.755 177.755 178.074 -0.319 17995 3472 1 8 . 1 1 62 62 MET CA C 40 57.714 57.714 57.171 0.543 17995 3473 1 8 . 1 1 62 62 MET CB C 40 32.386 32.386 31.351 1.035 17995 3474 1 8 . 1 1 62 62 MET H H 40 7.802 7.802 8.485 -0.683 17995 3475 1 8 . 1 1 63 63 ALA N N 41 124.277 124.277 122.951 1.326 17995 3476 1 8 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.066 0.105 17995 3477 1 8 . 1 1 63 63 ALA C C 41 179.893 179.893 179.614 0.279 17995 3478 1 8 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.015 0.086 17995 3479 1 8 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.593 2.063 17995 3480 1 8 . 1 1 63 63 ALA H H 41 8.295 8.295 8.044 0.251 17995 3481 1 8 . 1 1 64 64 VAL N N 42 118.186 118.186 115.462 2.724 17995 3482 1 8 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.330 -0.337 17995 3483 1 8 . 1 1 64 64 VAL C C 42 177.327 177.327 177.415 -0.088 17995 3484 1 8 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.792 1.520 17995 3485 1 8 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.324 -0.132 17995 3486 1 8 . 1 1 64 64 VAL H H 42 8.019 8.019 7.525 0.494 17995 3487 1 8 . 1 1 65 65 VAL N N 43 118.361 118.361 120.907 -2.546 17995 3488 1 8 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.425 0.139 17995 3489 1 8 . 1 1 65 65 VAL C C 43 178.520 178.520 178.136 0.384 17995 3490 1 8 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.444 0.113 17995 3491 1 8 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.126 0.374 17995 3492 1 8 . 1 1 65 65 VAL H H 43 6.942 6.942 7.407 -0.465 17995 3493 1 8 . 1 1 66 66 ASN N N 44 119.476 119.476 118.604 0.872 17995 3494 1 8 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.457 0.105 17995 3495 1 8 . 1 1 66 66 ASN C C 44 178.760 178.760 178.068 0.692 17995 3496 1 8 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.726 -0.890 17995 3497 1 8 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.627 -0.820 17995 3498 1 8 . 1 1 66 66 ASN H H 44 7.789 7.789 7.996 -0.207 17995 3499 1 8 . 1 1 67 67 VAL N N 45 124.029 124.029 115.984 8.045 17995 3500 1 8 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.987 -0.369 17995 3501 1 8 . 1 1 67 67 VAL C C 45 177.100 177.100 178.058 -0.958 17995 3502 1 8 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.639 1.727 17995 3503 1 8 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.565 -0.105 17995 3504 1 8 . 1 1 67 67 VAL H H 45 9.055 9.055 7.697 1.358 17995 3505 1 8 . 1 1 68 68 ILE N N 46 121.006 121.006 122.713 -1.707 17995 3506 1 8 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.845 -0.057 17995 3507 1 8 . 1 1 68 68 ILE C C 46 177.871 177.871 177.997 -0.126 17995 3508 1 8 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.875 -0.613 17995 3509 1 8 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.599 -1.431 17995 3510 1 8 . 1 1 68 68 ILE H H 46 8.509 8.509 7.969 0.540 17995 3511 1 8 . 1 1 69 69 THR N N 47 116.096 116.096 116.610 -0.514 17995 3512 1 8 . 1 1 69 69 THR HA H 47 4.391 4.391 4.177 0.214 17995 3513 1 8 . 1 1 69 69 THR C C 47 176.365 176.365 176.789 -0.424 17995 3514 1 8 . 1 1 69 69 THR CA C 47 66.256 66.256 66.651 -0.396 17995 3515 1 8 . 1 1 69 69 THR CB C 47 69.098 69.098 68.792 0.306 17995 3516 1 8 . 1 1 69 69 THR H H 47 8.512 8.512 7.805 0.707 17995 3517 1 8 . 1 1 70 70 ALA N N 48 123.948 123.948 124.375 -0.427 17995 3518 1 8 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.185 0.118 17995 3519 1 8 . 1 1 70 70 ALA C C 48 181.452 181.452 179.610 1.842 17995 3520 1 8 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.413 -0.230 17995 3521 1 8 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.321 1.101 17995 3522 1 8 . 1 1 70 70 ALA H H 48 7.802 7.802 8.136 -0.334 17995 3523 1 8 . 1 1 71 71 LEU N N 49 121.199 121.199 119.111 2.088 17995 3524 1 8 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.175 0.048 17995 3525 1 8 . 1 1 71 71 LEU C C 49 178.192 178.192 179.499 -1.307 17995 3526 1 8 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.425 0.136 17995 3527 1 8 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.103 1.348 17995 3528 1 8 . 1 1 71 71 LEU H H 49 8.802 8.802 8.218 0.584 17995 3529 1 8 . 1 1 72 72 GLU N N 50 119.782 119.782 118.838 0.944 17995 3530 1 8 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.119 -0.629 17995 3531 1 8 . 1 1 72 72 GLU C C 50 180.303 180.303 179.309 0.994 17995 3532 1 8 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.803 0.048 17995 3533 1 8 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.521 1.587 17995 3534 1 8 . 1 1 72 72 GLU H H 50 8.762 8.762 8.206 0.556 17995 3535 1 8 . 1 1 73 73 GLU N N 51 116.902 116.902 119.562 -2.660 17995 3536 1 8 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.036 0.016 17995 3537 1 8 . 1 1 73 73 GLU C C 51 178.334 178.334 179.096 -0.762 17995 3538 1 8 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.627 -0.009 17995 3539 1 8 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.326 0.756 17995 3540 1 8 . 1 1 73 73 GLU H H 51 7.953 7.953 7.927 0.026 17995 3541 1 8 . 1 1 74 74 TYR N N 52 119.999 119.999 117.880 2.119 17995 3542 1 8 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.217 -0.335 17995 3543 1 8 . 1 1 74 74 TYR C C 52 177.384 177.384 177.963 -0.579 17995 3544 1 8 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.999 0.601 17995 3545 1 8 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.517 1.128 17995 3546 1 8 . 1 1 74 74 TYR H H 52 8.078 8.078 7.994 0.084 17995 3547 1 8 . 1 1 75 75 PHE N N 53 113.650 113.650 115.432 -1.782 17995 3548 1 8 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.246 -0.060 17995 3549 1 8 . 1 1 75 75 PHE C C 53 174.485 174.485 175.172 -0.687 17995 3550 1 8 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.300 -0.056 17995 3551 1 8 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.738 1.302 17995 3552 1 8 . 1 1 75 75 PHE H H 53 8.244 8.244 7.742 0.502 17995 3553 1 8 . 1 1 76 76 ASP N N 54 119.712 119.712 116.338 3.374 17995 3554 1 8 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.341 0.039 17995 3555 1 8 . 1 1 76 76 ASP C C 54 174.118 174.118 175.302 -1.184 17995 3556 1 8 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.445 -0.582 17995 3557 1 8 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.023 0.133 17995 3558 1 8 . 1 1 76 76 ASP H H 54 7.596 7.596 7.698 -0.102 17995 3559 1 8 . 1 1 77 77 PHE N N 55 113.804 113.804 117.073 -3.269 17995 3560 1 8 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.022 0.053 17995 3561 1 8 . 1 1 77 77 PHE C C 55 174.384 174.384 174.280 0.104 17995 3562 1 8 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.268 -0.832 17995 3563 1 8 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.223 0.407 17995 3564 1 8 . 1 1 77 77 PHE H H 55 7.725 7.725 7.697 0.028 17995 3565 1 8 . 1 1 78 78 SER N N 56 114.319 114.319 116.146 -1.827 17995 3566 1 8 . 1 1 78 78 SER HA H 56 5.149 5.149 5.025 0.124 17995 3567 1 8 . 1 1 78 78 SER C C 56 174.100 174.100 173.189 0.911 17995 3568 1 8 . 1 1 78 78 SER CA C 56 56.800 56.800 57.010 -0.209 17995 3569 1 8 . 1 1 78 78 SER CB C 56 65.011 65.011 64.235 0.776 17995 3570 1 8 . 1 1 78 78 SER H H 56 8.727 8.727 8.466 0.261 17995 3571 1 8 . 1 1 79 79 VAL N N 57 128.316 128.316 129.348 -1.032 17995 3572 1 8 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.943 0.301 17995 3573 1 8 . 1 1 79 79 VAL C C 57 175.637 175.637 175.770 -0.133 17995 3574 1 8 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.738 -0.984 17995 3575 1 8 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.907 0.966 17995 3576 1 8 . 1 1 79 79 VAL H H 57 10.222 10.222 8.610 1.612 17995 3577 1 8 . 1 1 80 80 ASP N N 58 130.058 130.058 127.126 2.932 17995 3578 1 8 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.527 0.319 17995 3579 1 8 . 1 1 80 80 ASP C C 58 177.205 177.205 177.172 0.033 17995 3580 1 8 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.637 -1.161 17995 3581 1 8 . 1 1 80 80 ASP CB C 58 42.665 42.665 42.953 -0.287 17995 3582 1 8 . 1 1 80 80 ASP H H 58 9.396 9.396 7.972 1.424 17995 3583 1 8 . 1 1 81 81 ASP N N 59 122.564 122.564 124.691 -2.127 17995 3584 1 8 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.346 -0.066 17995 3585 1 8 . 1 1 81 81 ASP C C 59 177.291 177.291 178.075 -0.784 17995 3586 1 8 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.223 0.237 17995 3587 1 8 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.052 -0.322 17995 3588 1 8 . 1 1 81 81 ASP H H 59 8.696 8.696 8.784 -0.088 17995 3589 1 8 . 1 1 82 82 ASP N N 60 115.817 115.817 118.877 -3.060 17995 3590 1 8 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.505 0.054 17995 3591 1 8 . 1 1 82 82 ASP C C 60 176.939 176.939 177.483 -0.544 17995 3592 1 8 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.342 -1.481 17995 3593 1 8 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.133 -0.718 17995 3594 1 8 . 1 1 82 82 ASP H H 60 8.460 8.460 8.147 0.313 17995 3595 1 8 . 1 1 83 83 GLU N N 61 118.478 118.478 116.341 2.137 17995 3596 1 8 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.478 -0.177 17995 3597 1 8 . 1 1 83 83 GLU C C 61 175.841 175.841 176.830 -0.989 17995 3598 1 8 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.044 1.260 17995 3599 1 8 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.280 1.211 17995 3600 1 8 . 1 1 83 83 GLU H H 61 7.903 7.903 7.819 0.084 17995 3601 1 8 . 1 1 84 84 ILE N N 62 117.759 117.759 123.073 -5.314 17995 3602 1 8 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.958 0.207 17995 3603 1 8 . 1 1 84 84 ILE C C 62 174.069 174.069 174.946 -0.877 17995 3604 1 8 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.633 -2.139 17995 3605 1 8 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.123 2.012 17995 3606 1 8 . 1 1 84 84 ILE H H 62 7.396 7.396 7.365 0.031 17995 3607 1 8 . 1 1 85 85 SER N N 63 119.980 119.980 121.608 -1.628 17995 3608 1 8 . 1 1 85 85 SER HA H 63 4.789 4.789 4.764 0.025 17995 3609 1 8 . 1 1 85 85 SER CA C 63 56.772 56.772 56.366 0.406 17995 3610 1 8 . 1 1 85 85 SER CB C 63 66.916 66.916 66.188 0.728 17995 3611 1 8 . 1 1 85 85 SER H H 63 8.384 8.384 8.188 0.196 17995 3612 1 8 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.321 -0.294 17995 3613 1 8 . 1 1 86 86 ALA C C 64 180.211 180.211 179.642 0.569 17995 3614 1 8 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.582 0.919 17995 3615 1 8 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.755 -0.745 17995 3616 1 8 . 1 1 87 87 GLN N N 65 116.123 116.123 115.853 0.270 17995 3617 1 8 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.119 -0.054 17995 3618 1 8 . 1 1 87 87 GLN C C 65 178.564 178.564 177.245 1.319 17995 3619 1 8 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.533 1.206 17995 3620 1 8 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.999 0.444 17995 3621 1 8 . 1 1 87 87 GLN H H 65 7.990 7.990 7.774 0.216 17995 3622 1 8 . 1 1 88 88 THR N N 66 119.153 119.153 114.482 4.671 17995 3623 1 8 . 1 1 88 88 THR HA H 66 3.631 3.631 3.717 -0.086 17995 3624 1 8 . 1 1 88 88 THR C C 66 174.748 174.748 174.650 0.098 17995 3625 1 8 . 1 1 88 88 THR CA C 66 66.591 66.591 65.385 1.206 17995 3626 1 8 . 1 1 88 88 THR CB C 66 68.702 68.702 68.315 0.387 17995 3627 1 8 . 1 1 88 88 THR H H 66 7.738 7.738 7.280 0.458 17995 3628 1 8 . 1 1 89 89 PHE N N 67 115.088 115.088 117.508 -2.420 17995 3629 1 8 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.671 -0.434 17995 3630 1 8 . 1 1 89 89 PHE C C 67 173.600 173.600 176.458 -2.858 17995 3631 1 8 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.166 0.355 17995 3632 1 8 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.373 0.333 17995 3633 1 8 . 1 1 89 89 PHE H H 67 7.180 7.180 7.397 -0.217 17995 3634 1 8 . 1 1 90 90 GLU N N 68 122.222 122.222 120.556 1.666 17995 3635 1 8 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.101 0.066 17995 3636 1 8 . 1 1 90 90 GLU C C 68 178.581 178.581 176.620 1.961 17995 3637 1 8 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.475 1.251 17995 3638 1 8 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.803 0.945 17995 3639 1 8 . 1 1 90 90 GLU H H 68 7.421 7.421 7.784 -0.363 17995 3640 1 8 . 1 1 91 91 THR N N 69 106.383 106.383 110.815 -4.432 17995 3641 1 8 . 1 1 91 91 THR HA H 69 5.477 5.477 4.649 0.828 17995 3642 1 8 . 1 1 91 91 THR C C 69 174.775 174.775 173.710 1.065 17995 3643 1 8 . 1 1 91 91 THR CA C 69 58.798 58.798 59.473 -0.675 17995 3644 1 8 . 1 1 91 91 THR CB C 69 74.841 74.841 71.213 3.628 17995 3645 1 8 . 1 1 91 91 THR H H 69 8.534 8.534 7.248 1.286 17995 3646 1 8 . 1 1 92 92 LEU N N 70 120.326 120.326 123.338 -3.012 17995 3647 1 8 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.161 -0.018 17995 3648 1 8 . 1 1 92 92 LEU C C 70 178.174 178.174 177.637 0.537 17995 3649 1 8 . 1 1 92 92 LEU CA C 70 58.266 58.266 56.911 1.355 17995 3650 1 8 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.344 -1.474 17995 3651 1 8 . 1 1 92 92 LEU H H 70 7.991 7.991 8.209 -0.218 17995 3652 1 8 . 1 1 93 93 GLY N N 71 106.588 106.588 104.937 1.651 17995 3653 1 8 . 1 1 93 93 GLY C C 71 175.300 175.300 176.141 -0.841 17995 3654 1 8 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.422 -0.085 17995 3655 1 8 . 1 1 93 93 GLY H H 71 9.019 9.019 8.018 1.001 17995 3656 1 8 . 1 1 94 94 SER N N 72 120.200 120.200 118.138 2.062 17995 3657 1 8 . 1 1 94 94 SER HA H 72 4.090 4.090 4.246 -0.156 17995 3658 1 8 . 1 1 94 94 SER C C 72 177.631 177.631 176.221 1.410 17995 3659 1 8 . 1 1 94 94 SER CA C 72 62.329 62.329 61.851 0.478 17995 3660 1 8 . 1 1 94 94 SER H H 72 8.709 8.709 7.350 1.359 17995 3661 1 8 . 1 1 95 95 LEU N N 73 129.169 129.169 121.960 7.209 17995 3662 1 8 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.875 0.365 17995 3663 1 8 . 1 1 95 95 LEU C C 73 176.439 176.439 179.123 -2.684 17995 3664 1 8 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.903 0.899 17995 3665 1 8 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.038 1.821 17995 3666 1 8 . 1 1 95 95 LEU H H 73 7.800 7.800 7.355 0.445 17995 3667 1 8 . 1 1 96 96 ALA N N 74 121.721 121.721 122.151 -0.430 17995 3668 1 8 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.966 0.023 17995 3669 1 8 . 1 1 96 96 ALA C C 74 180.456 180.456 179.541 0.915 17995 3670 1 8 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.316 0.386 17995 3671 1 8 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.328 -0.612 17995 3672 1 8 . 1 1 96 96 ALA H H 74 8.612 8.612 8.295 0.317 17995 3673 1 8 . 1 1 97 97 LEU N N 75 122.095 122.095 119.555 2.540 17995 3674 1 8 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.903 0.154 17995 3675 1 8 . 1 1 97 97 LEU C C 75 178.805 178.805 179.008 -0.203 17995 3676 1 8 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.708 0.061 17995 3677 1 8 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.575 1.246 17995 3678 1 8 . 1 1 97 97 LEU H H 75 8.777 8.777 7.716 1.061 17995 3679 1 8 . 1 1 98 98 PHE N N 76 122.741 122.741 117.771 4.970 17995 3680 1 8 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.889 0.373 17995 3681 1 8 . 1 1 98 98 PHE C C 76 176.878 176.878 178.450 -1.572 17995 3682 1 8 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.348 -1.116 17995 3683 1 8 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.612 -0.063 17995 3684 1 8 . 1 1 98 98 PHE H H 76 7.889 7.889 8.111 -0.222 17995 3685 1 8 . 1 1 99 99 VAL N N 77 119.641 119.641 115.164 4.477 17995 3686 1 8 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.569 -0.791 17995 3687 1 8 . 1 1 99 99 VAL C C 77 176.414 176.414 177.709 -1.295 17995 3688 1 8 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.297 0.671 17995 3689 1 8 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.259 -0.073 17995 3690 1 8 . 1 1 99 99 VAL H H 77 7.599 7.599 8.358 -0.759 17995 3691 1 8 . 1 1 100 100 GLU N N 78 118.850 118.850 121.651 -2.801 17995 3692 1 8 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.117 -0.344 17995 3693 1 8 . 1 1 100 100 GLU C C 78 179.007 179.007 179.392 -0.385 17995 3694 1 8 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.602 -0.062 17995 3695 1 8 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.055 0.723 17995 3696 1 8 . 1 1 100 100 GLU H H 78 7.740 7.740 8.046 -0.306 17995 3697 1 8 . 1 1 101 101 HIS N N 79 120.328 120.328 117.313 3.015 17995 3698 1 8 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.372 -0.171 17995 3699 1 8 . 1 1 101 101 HIS C C 79 178.242 178.242 177.702 0.540 17995 3700 1 8 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.451 0.787 17995 3701 1 8 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.797 0.141 17995 3702 1 8 . 1 1 101 101 HIS H H 79 8.354 8.354 7.844 0.510 17995 3703 1 8 . 1 1 102 102 LYS N N 80 121.044 121.044 119.913 1.131 17995 3704 1 8 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.173 -0.606 17995 3705 1 8 . 1 1 102 102 LYS C C 80 179.199 179.199 178.420 0.779 17995 3706 1 8 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.280 -1.293 17995 3707 1 8 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.997 -1.821 17995 3708 1 8 . 1 1 102 102 LYS H H 80 7.908 7.908 7.740 0.168 17995 3709 1 8 . 1 1 103 103 LEU N N 81 118.698 118.698 119.721 -1.023 17995 3710 1 8 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.447 -0.289 17995 3711 1 8 . 1 1 103 103 LEU C C 81 178.593 178.593 178.994 -0.401 17995 3712 1 8 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.970 0.426 17995 3713 1 8 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.994 1.315 17995 3714 1 8 . 1 1 103 103 LEU H H 81 7.784 7.784 8.112 -0.328 17995 3715 1 8 . 1 1 104 104 SER N N 82 114.826 114.826 113.956 0.870 17995 3716 1 8 . 1 1 104 104 SER HA H 82 4.358 4.358 4.402 -0.044 17995 3717 1 8 . 1 1 104 104 SER C C 82 174.810 174.810 174.873 -0.063 17995 3718 1 8 . 1 1 104 104 SER CA C 82 59.567 59.567 60.260 -0.693 17995 3719 1 8 . 1 1 104 104 SER CB C 82 63.859 63.859 63.935 -0.076 17995 3720 1 8 . 1 1 104 104 SER H H 82 7.738 7.738 7.968 -0.230 17995 3721 1 9 . 1 1 24 24 GLN N N 2 121.730 121.730 118.643 3.087 17995 3722 1 9 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.410 -0.448 17995 3723 1 9 . 1 1 24 24 GLN C C 2 177.291 177.291 177.893 -0.602 17995 3724 1 9 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.059 1.332 17995 3725 1 9 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.421 -0.711 17995 3726 1 9 . 1 1 24 24 GLN H H 2 8.511 8.511 8.820 -0.309 17995 3727 1 9 . 1 1 25 25 HIS N N 3 116.878 116.878 120.745 -3.867 17995 3728 1 9 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.713 0.390 17995 3729 1 9 . 1 1 25 25 HIS C C 3 175.501 175.501 177.369 -1.868 17995 3730 1 9 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.827 -2.479 17995 3731 1 9 . 1 1 25 25 HIS CB C 3 30.627 30.627 30.378 0.249 17995 3732 1 9 . 1 1 25 25 HIS H H 3 8.216 8.216 8.519 -0.303 17995 3733 1 9 . 1 1 26 26 LEU N N 4 121.540 121.540 118.741 2.799 17995 3734 1 9 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.117 -0.424 17995 3735 1 9 . 1 1 26 26 LEU C C 4 177.649 177.649 178.240 -0.591 17995 3736 1 9 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.000 1.703 17995 3737 1 9 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.180 1.155 17995 3738 1 9 . 1 1 26 26 LEU H H 4 7.447 7.447 8.184 -0.737 17995 3739 1 9 . 1 1 27 27 GLU N N 5 118.441 118.441 120.646 -2.205 17995 3740 1 9 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.890 0.001 17995 3741 1 9 . 1 1 27 27 GLU C C 5 178.162 178.162 178.220 -0.058 17995 3742 1 9 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.369 0.253 17995 3743 1 9 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.030 0.047 17995 3744 1 9 . 1 1 27 27 GLU H H 5 8.561 8.561 7.836 0.725 17995 3745 1 9 . 1 1 28 28 ALA N N 6 122.005 122.005 120.699 1.306 17995 3746 1 9 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.207 -0.075 17995 3747 1 9 . 1 1 28 28 ALA C C 6 180.421 180.421 180.123 0.298 17995 3748 1 9 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.734 0.545 17995 3749 1 9 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.112 0.654 17995 3750 1 9 . 1 1 28 28 ALA H H 6 8.205 8.205 7.660 0.545 17995 3751 1 9 . 1 1 29 29 VAL N N 7 116.985 116.985 119.848 -2.863 17995 3752 1 9 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.673 -0.164 17995 3753 1 9 . 1 1 29 29 VAL C C 7 177.034 177.034 177.578 -0.544 17995 3754 1 9 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.715 -0.352 17995 3755 1 9 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.659 -0.220 17995 3756 1 9 . 1 1 29 29 VAL H H 7 8.392 8.392 7.904 0.488 17995 3757 1 9 . 1 1 30 30 ARG N N 8 121.674 121.674 118.677 2.997 17995 3758 1 9 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.067 -0.403 17995 3759 1 9 . 1 1 30 30 ARG C C 8 177.810 177.810 179.050 -1.240 17995 3760 1 9 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.062 1.463 17995 3761 1 9 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.401 1.265 17995 3762 1 9 . 1 1 30 30 ARG H H 8 8.784 8.784 8.367 0.417 17995 3763 1 9 . 1 1 31 31 ASN N N 9 118.102 118.102 119.109 -1.007 17995 3764 1 9 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.518 -0.234 17995 3765 1 9 . 1 1 31 31 ASN C C 9 177.890 177.890 176.935 0.955 17995 3766 1 9 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.376 -0.122 17995 3767 1 9 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.524 -0.936 17995 3768 1 9 . 1 1 31 31 ASN H H 9 8.144 8.144 7.981 0.163 17995 3769 1 9 . 1 1 32 32 ILE N N 10 123.614 123.614 120.398 3.216 17995 3770 1 9 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.308 0.483 17995 3771 1 9 . 1 1 32 32 ILE C C 10 177.810 177.810 177.725 0.085 17995 3772 1 9 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.233 0.026 17995 3773 1 9 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.727 1.007 17995 3774 1 9 . 1 1 32 32 ILE H H 10 8.137 8.137 7.623 0.514 17995 3775 1 9 . 1 1 33 33 LEU N N 11 119.797 119.797 119.131 0.666 17995 3776 1 9 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.052 -0.266 17995 3777 1 9 . 1 1 33 33 LEU C C 11 179.039 179.039 179.408 -0.369 17995 3778 1 9 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.551 0.159 17995 3779 1 9 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.091 0.985 17995 3780 1 9 . 1 1 33 33 LEU H H 11 8.637 8.637 8.142 0.495 17995 3781 1 9 . 1 1 34 34 GLY N N 12 103.682 103.682 106.613 -2.931 17995 3782 1 9 . 1 1 34 34 GLY C C 12 175.242 175.242 175.933 -0.691 17995 3783 1 9 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.131 0.587 17995 3784 1 9 . 1 1 34 34 GLY H H 12 8.513 8.513 8.107 0.406 17995 3785 1 9 . 1 1 35 35 ASP N N 13 122.235 122.235 122.043 0.192 17995 3786 1 9 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.541 0.044 17995 3787 1 9 . 1 1 35 35 ASP C C 13 179.013 179.013 178.191 0.822 17995 3788 1 9 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.763 0.153 17995 3789 1 9 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.211 -0.165 17995 3790 1 9 . 1 1 35 35 ASP H H 13 7.968 7.968 7.770 0.198 17995 3791 1 9 . 1 1 36 36 VAL N N 14 120.841 120.841 119.063 1.778 17995 3792 1 9 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.738 -0.061 17995 3793 1 9 . 1 1 36 36 VAL C C 14 177.797 177.797 177.756 0.041 17995 3794 1 9 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.536 0.468 17995 3795 1 9 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.108 0.124 17995 3796 1 9 . 1 1 36 36 VAL H H 14 8.765 8.765 8.068 0.697 17995 3797 1 9 . 1 1 37 37 LEU N N 15 114.630 114.630 114.845 -0.215 17995 3798 1 9 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.416 -0.135 17995 3799 1 9 . 1 1 37 37 LEU C C 15 175.483 175.483 176.476 -0.993 17995 3800 1 9 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.337 -0.167 17995 3801 1 9 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.759 -0.065 17995 3802 1 9 . 1 1 37 37 LEU H H 15 7.942 7.942 7.757 0.185 17995 3803 1 9 . 1 1 38 38 ASN N N 16 116.887 116.887 117.157 -0.270 17995 3804 1 9 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.496 0.038 17995 3805 1 9 . 1 1 38 38 ASN C C 16 175.668 175.668 175.118 0.550 17995 3806 1 9 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.793 0.127 17995 3807 1 9 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.431 -0.572 17995 3808 1 9 . 1 1 38 38 ASN H H 16 7.561 7.561 7.905 -0.344 17995 3809 1 9 . 1 1 39 39 LEU N N 17 114.676 114.676 118.717 -4.041 17995 3810 1 9 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.215 -0.144 17995 3811 1 9 . 1 1 39 39 LEU C C 17 178.415 178.415 178.105 0.310 17995 3812 1 9 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.997 -0.253 17995 3813 1 9 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.527 1.749 17995 3814 1 9 . 1 1 39 39 LEU H H 17 8.233 8.233 8.158 0.075 17995 3815 1 9 . 1 1 40 40 GLY N N 18 109.665 109.665 107.145 2.520 17995 3816 1 9 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.617 -0.312 17995 3817 1 9 . 1 1 40 40 GLY H H 18 8.678 8.678 8.060 0.618 17995 3818 1 9 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.363 -0.235 17995 3819 1 9 . 1 1 41 41 GLU C C 19 178.328 178.328 177.372 0.956 17995 3820 1 9 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.467 1.797 17995 3821 1 9 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.985 -0.905 17995 3822 1 9 . 1 1 42 42 ARG N N 20 118.936 118.936 121.625 -2.689 17995 3823 1 9 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.177 -0.002 17995 3824 1 9 . 1 1 42 42 ARG C C 20 178.912 178.912 177.755 1.157 17995 3825 1 9 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.450 -0.213 17995 3826 1 9 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.491 -0.435 17995 3827 1 9 . 1 1 42 42 ARG H H 20 7.979 7.979 7.856 0.123 17995 3828 1 9 . 1 1 43 43 LYS N N 21 119.087 119.087 114.179 4.908 17995 3829 1 9 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.116 -0.368 17995 3830 1 9 . 1 1 43 43 LYS C C 21 176.559 176.559 177.405 -0.846 17995 3831 1 9 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.446 0.652 17995 3832 1 9 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.282 0.699 17995 3833 1 9 . 1 1 43 43 LYS H H 21 7.719 7.719 8.381 -0.662 17995 3834 1 9 . 1 1 44 44 HIS N N 22 115.571 115.571 117.348 -1.777 17995 3835 1 9 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.532 -0.104 17995 3836 1 9 . 1 1 44 44 HIS C C 22 176.288 176.288 176.268 0.020 17995 3837 1 9 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.394 -0.610 17995 3838 1 9 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.156 0.314 17995 3839 1 9 . 1 1 44 44 HIS H H 22 7.124 7.124 7.649 -0.525 17995 3840 1 9 . 1 1 45 45 THR N N 23 107.890 107.890 112.771 -4.881 17995 3841 1 9 . 1 1 45 45 THR HA H 23 4.355 4.355 4.199 0.156 17995 3842 1 9 . 1 1 45 45 THR C C 23 174.650 174.650 175.162 -0.512 17995 3843 1 9 . 1 1 45 45 THR CA C 23 61.627 61.627 63.504 -1.877 17995 3844 1 9 . 1 1 45 45 THR CB C 23 69.475 69.475 69.348 0.127 17995 3845 1 9 . 1 1 45 45 THR H H 23 7.441 7.441 7.613 -0.172 17995 3846 1 9 . 1 1 46 46 LEU N N 24 121.435 121.435 120.769 0.666 17995 3847 1 9 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.626 -0.003 17995 3848 1 9 . 1 1 46 46 LEU C C 24 176.537 176.537 175.554 0.983 17995 3849 1 9 . 1 1 46 46 LEU CA C 24 54.590 54.590 54.379 0.211 17995 3850 1 9 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.936 0.181 17995 3851 1 9 . 1 1 46 46 LEU H H 24 7.059 7.059 7.379 -0.320 17995 3852 1 9 . 1 1 47 47 THR N N 25 116.104 116.104 111.616 4.488 17995 3853 1 9 . 1 1 47 47 THR HA H 25 4.605 4.605 4.455 0.150 17995 3854 1 9 . 1 1 47 47 THR C C 25 175.526 175.526 175.537 -0.011 17995 3855 1 9 . 1 1 47 47 THR CA C 25 59.878 59.878 59.810 0.068 17995 3856 1 9 . 1 1 47 47 THR CB C 25 71.752 71.752 70.887 0.865 17995 3857 1 9 . 1 1 47 47 THR H H 25 9.432 9.432 7.646 1.786 17995 3858 1 9 . 1 1 48 48 ALA N N 26 122.234 122.234 121.764 0.470 17995 3859 1 9 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.139 -0.330 17995 3860 1 9 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.069 0.524 17995 3861 1 9 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.600 0.054 17995 3862 1 9 . 1 1 48 48 ALA H H 26 9.142 9.142 8.615 0.527 17995 3863 1 9 . 1 1 49 49 SER HA H 27 4.448 4.448 4.412 0.036 17995 3864 1 9 . 1 1 49 49 SER C C 27 174.637 174.637 174.133 0.504 17995 3865 1 9 . 1 1 49 49 SER CA C 27 58.348 58.348 58.839 -0.491 17995 3866 1 9 . 1 1 49 49 SER CB C 27 63.704 63.704 63.051 0.653 17995 3867 1 9 . 1 1 50 50 SER N N 28 122.032 122.032 116.918 5.114 17995 3868 1 9 . 1 1 50 50 SER HA H 28 4.269 4.269 4.574 -0.305 17995 3869 1 9 . 1 1 50 50 SER C C 28 172.904 172.904 173.220 -0.316 17995 3870 1 9 . 1 1 50 50 SER CA C 28 60.846 60.846 57.122 3.724 17995 3871 1 9 . 1 1 50 50 SER CB C 28 63.063 63.063 64.713 -1.650 17995 3872 1 9 . 1 1 50 50 SER H H 28 8.157 8.157 7.361 0.796 17995 3873 1 9 . 1 1 51 51 VAL N N 29 127.079 127.079 125.672 1.407 17995 3874 1 9 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.228 0.114 17995 3875 1 9 . 1 1 51 51 VAL C C 29 176.612 176.612 175.805 0.807 17995 3876 1 9 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.200 -0.752 17995 3877 1 9 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.642 -0.417 17995 3878 1 9 . 1 1 51 51 VAL H H 29 8.505 8.505 8.582 -0.077 17995 3879 1 9 . 1 1 52 52 LEU N N 30 126.014 126.014 123.682 2.332 17995 3880 1 9 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.627 0.168 17995 3881 1 9 . 1 1 52 52 LEU C C 30 176.569 176.569 177.208 -0.639 17995 3882 1 9 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.347 -0.815 17995 3883 1 9 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.079 -2.075 17995 3884 1 9 . 1 1 52 52 LEU H H 30 7.954 7.954 7.954 -0.000 17995 3885 1 9 . 1 1 53 53 LEU N N 31 122.601 122.601 119.705 2.896 17995 3886 1 9 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.874 0.212 17995 3887 1 9 . 1 1 53 53 LEU C C 31 177.683 177.683 178.193 -0.510 17995 3888 1 9 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.647 0.727 17995 3889 1 9 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.120 0.699 17995 3890 1 9 . 1 1 53 53 LEU H H 31 7.777 7.777 7.668 0.109 17995 3891 1 9 . 1 1 54 54 GLY N N 32 114.941 114.941 113.995 0.946 17995 3892 1 9 . 1 1 54 54 GLY C C 32 173.612 173.612 174.576 -0.964 17995 3893 1 9 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.835 -0.277 17995 3894 1 9 . 1 1 54 54 GLY H H 32 9.121 9.121 8.885 0.236 17995 3895 1 9 . 1 1 55 55 ASN N N 33 117.901 117.901 120.015 -2.114 17995 3896 1 9 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.709 0.221 17995 3897 1 9 . 1 1 55 55 ASN C C 33 174.458 174.458 175.995 -1.537 17995 3898 1 9 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.711 -0.892 17995 3899 1 9 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.115 2.432 17995 3900 1 9 . 1 1 55 55 ASN H H 33 7.789 7.789 7.808 -0.019 17995 3901 1 9 . 1 1 56 56 ILE N N 34 120.163 120.163 121.746 -1.583 17995 3902 1 9 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.458 0.079 17995 3903 1 9 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.761 0.240 17995 3904 1 9 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.275 1.818 17995 3905 1 9 . 1 1 56 56 ILE H H 34 7.703 7.703 7.820 -0.117 17995 3906 1 9 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.417 -0.244 17995 3907 1 9 . 1 1 57 57 PRO C C 35 177.969 177.969 176.824 1.145 17995 3908 1 9 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.336 0.940 17995 3909 1 9 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.076 -0.142 17995 3910 1 9 . 1 1 58 58 GLU N N 36 116.701 116.701 116.555 0.146 17995 3911 1 9 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.379 -0.407 17995 3912 1 9 . 1 1 58 58 GLU C C 36 176.612 176.612 175.898 0.714 17995 3913 1 9 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.988 3.359 17995 3914 1 9 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.738 0.094 17995 3915 1 9 . 1 1 58 58 GLU H H 36 9.581 9.581 8.603 0.978 17995 3916 1 9 . 1 1 59 59 LEU N N 37 121.189 121.189 123.762 -2.573 17995 3917 1 9 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.365 -0.053 17995 3918 1 9 . 1 1 59 59 LEU C C 37 173.353 173.353 175.514 -2.161 17995 3919 1 9 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.709 -1.431 17995 3920 1 9 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.200 0.799 17995 3921 1 9 . 1 1 59 59 LEU H H 37 7.560 7.560 7.302 0.258 17995 3922 1 9 . 1 1 60 60 ASP N N 38 126.468 126.468 123.793 2.675 17995 3923 1 9 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.775 -0.060 17995 3924 1 9 . 1 1 60 60 ASP C C 38 175.828 175.828 176.737 -0.909 17995 3925 1 9 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.530 -1.610 17995 3926 1 9 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.220 -2.664 17995 3927 1 9 . 1 1 60 60 ASP H H 38 7.527 7.527 7.849 -0.322 17995 3928 1 9 . 1 1 61 61 SER N N 39 113.128 113.128 115.423 -2.295 17995 3929 1 9 . 1 1 61 61 SER HA H 39 4.019 4.019 4.228 -0.209 17995 3930 1 9 . 1 1 61 61 SER C C 39 175.854 175.854 176.800 -0.946 17995 3931 1 9 . 1 1 61 61 SER CA C 39 61.276 61.276 61.632 -0.355 17995 3932 1 9 . 1 1 61 61 SER CB C 39 65.520 65.520 62.867 2.653 17995 3933 1 9 . 1 1 61 61 SER H H 39 8.623 8.623 8.512 0.111 17995 3934 1 9 . 1 1 62 62 MET N N 40 121.706 121.706 120.448 1.258 17995 3935 1 9 . 1 1 62 62 MET HA H 40 4.303 4.303 4.262 0.041 17995 3936 1 9 . 1 1 62 62 MET C C 40 177.755 177.755 178.077 -0.322 17995 3937 1 9 . 1 1 62 62 MET CA C 40 57.714 57.714 57.413 0.301 17995 3938 1 9 . 1 1 62 62 MET CB C 40 32.386 32.386 31.315 1.071 17995 3939 1 9 . 1 1 62 62 MET H H 40 7.802 7.802 8.510 -0.708 17995 3940 1 9 . 1 1 63 63 ALA N N 41 124.277 124.277 122.401 1.876 17995 3941 1 9 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.093 0.078 17995 3942 1 9 . 1 1 63 63 ALA C C 41 179.893 179.893 179.624 0.269 17995 3943 1 9 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.795 0.306 17995 3944 1 9 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.659 1.997 17995 3945 1 9 . 1 1 63 63 ALA H H 41 8.295 8.295 7.933 0.362 17995 3946 1 9 . 1 1 64 64 VAL N N 42 118.186 118.186 115.420 2.766 17995 3947 1 9 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.247 -0.254 17995 3948 1 9 . 1 1 64 64 VAL C C 42 177.327 177.327 177.438 -0.111 17995 3949 1 9 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.810 1.502 17995 3950 1 9 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.294 -0.103 17995 3951 1 9 . 1 1 64 64 VAL H H 42 8.019 8.019 7.872 0.147 17995 3952 1 9 . 1 1 65 65 VAL N N 43 118.361 118.361 120.626 -2.265 17995 3953 1 9 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.498 0.066 17995 3954 1 9 . 1 1 65 65 VAL C C 43 178.520 178.520 178.105 0.415 17995 3955 1 9 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.325 0.232 17995 3956 1 9 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.149 0.351 17995 3957 1 9 . 1 1 65 65 VAL H H 43 6.942 6.942 7.273 -0.331 17995 3958 1 9 . 1 1 66 66 ASN N N 44 119.476 119.476 118.366 1.110 17995 3959 1 9 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.475 0.087 17995 3960 1 9 . 1 1 66 66 ASN C C 44 178.760 178.760 178.083 0.677 17995 3961 1 9 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.839 -1.003 17995 3962 1 9 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.851 -1.044 17995 3963 1 9 . 1 1 66 66 ASN H H 44 7.789 7.789 8.184 -0.395 17995 3964 1 9 . 1 1 67 67 VAL N N 45 124.029 124.029 116.501 7.528 17995 3965 1 9 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.861 -0.243 17995 3966 1 9 . 1 1 67 67 VAL C C 45 177.100 177.100 177.843 -0.743 17995 3967 1 9 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.826 1.540 17995 3968 1 9 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.554 -0.094 17995 3969 1 9 . 1 1 67 67 VAL H H 45 9.055 9.055 7.653 1.402 17995 3970 1 9 . 1 1 68 68 ILE N N 46 121.006 121.006 121.799 -0.793 17995 3971 1 9 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.780 0.008 17995 3972 1 9 . 1 1 68 68 ILE C C 46 177.871 177.871 178.185 -0.314 17995 3973 1 9 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.669 -0.407 17995 3974 1 9 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.532 -1.365 17995 3975 1 9 . 1 1 68 68 ILE H H 46 8.509 8.509 7.762 0.747 17995 3976 1 9 . 1 1 69 69 THR N N 47 116.096 116.096 115.887 0.209 17995 3977 1 9 . 1 1 69 69 THR HA H 47 4.391 4.391 4.011 0.380 17995 3978 1 9 . 1 1 69 69 THR C C 47 176.365 176.365 176.333 0.032 17995 3979 1 9 . 1 1 69 69 THR CA C 47 66.256 66.256 66.751 -0.495 17995 3980 1 9 . 1 1 69 69 THR CB C 47 69.098 69.098 68.373 0.725 17995 3981 1 9 . 1 1 69 69 THR H H 47 8.512 8.512 7.940 0.572 17995 3982 1 9 . 1 1 70 70 ALA N N 48 123.948 123.948 124.355 -0.407 17995 3983 1 9 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.311 -0.008 17995 3984 1 9 . 1 1 70 70 ALA C C 48 181.452 181.452 179.814 1.638 17995 3985 1 9 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.136 0.047 17995 3986 1 9 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.083 1.339 17995 3987 1 9 . 1 1 70 70 ALA H H 48 7.802 7.802 7.893 -0.091 17995 3988 1 9 . 1 1 71 71 LEU N N 49 121.199 121.199 119.695 1.504 17995 3989 1 9 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.055 0.168 17995 3990 1 9 . 1 1 71 71 LEU C C 49 178.192 178.192 179.464 -1.272 17995 3991 1 9 . 1 1 71 71 LEU CA C 49 58.561 58.561 57.997 0.564 17995 3992 1 9 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.860 1.591 17995 3993 1 9 . 1 1 71 71 LEU H H 49 8.802 8.802 8.321 0.481 17995 3994 1 9 . 1 1 72 72 GLU N N 50 119.782 119.782 118.655 1.127 17995 3995 1 9 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.244 -0.754 17995 3996 1 9 . 1 1 72 72 GLU C C 50 180.303 180.303 179.427 0.876 17995 3997 1 9 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.301 0.550 17995 3998 1 9 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.007 2.101 17995 3999 1 9 . 1 1 72 72 GLU H H 50 8.762 8.762 8.040 0.722 17995 4000 1 9 . 1 1 73 73 GLU N N 51 116.902 116.902 118.406 -1.504 17995 4001 1 9 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.161 -0.109 17995 4002 1 9 . 1 1 73 73 GLU C C 51 178.334 178.334 178.984 -0.650 17995 4003 1 9 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.653 -0.035 17995 4004 1 9 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.437 0.645 17995 4005 1 9 . 1 1 73 73 GLU H H 51 7.953 7.953 7.852 0.101 17995 4006 1 9 . 1 1 74 74 TYR N N 52 119.999 119.999 117.802 2.197 17995 4007 1 9 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.227 -0.345 17995 4008 1 9 . 1 1 74 74 TYR C C 52 177.384 177.384 177.628 -0.244 17995 4009 1 9 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.886 0.714 17995 4010 1 9 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.548 1.097 17995 4011 1 9 . 1 1 74 74 TYR H H 52 8.078 8.078 8.254 -0.176 17995 4012 1 9 . 1 1 75 75 PHE N N 53 113.650 113.650 116.340 -2.690 17995 4013 1 9 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.278 -0.092 17995 4014 1 9 . 1 1 75 75 PHE C C 53 174.485 174.485 175.444 -0.959 17995 4015 1 9 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.215 0.029 17995 4016 1 9 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.773 1.267 17995 4017 1 9 . 1 1 75 75 PHE H H 53 8.244 8.244 7.857 0.387 17995 4018 1 9 . 1 1 76 76 ASP N N 54 119.712 119.712 117.750 1.962 17995 4019 1 9 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.412 -0.032 17995 4020 1 9 . 1 1 76 76 ASP C C 54 174.118 174.118 175.016 -0.898 17995 4021 1 9 . 1 1 76 76 ASP CA C 54 54.863 54.863 54.805 0.058 17995 4022 1 9 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.683 -0.527 17995 4023 1 9 . 1 1 76 76 ASP H H 54 7.596 7.596 7.638 -0.042 17995 4024 1 9 . 1 1 77 77 PHE N N 55 113.804 113.804 117.364 -3.560 17995 4025 1 9 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.039 0.036 17995 4026 1 9 . 1 1 77 77 PHE C C 55 174.384 174.384 173.752 0.632 17995 4027 1 9 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.659 -1.223 17995 4028 1 9 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.245 0.385 17995 4029 1 9 . 1 1 77 77 PHE H H 55 7.725 7.725 7.764 -0.039 17995 4030 1 9 . 1 1 78 78 SER N N 56 114.319 114.319 116.337 -2.018 17995 4031 1 9 . 1 1 78 78 SER HA H 56 5.149 5.149 5.072 0.077 17995 4032 1 9 . 1 1 78 78 SER C C 56 174.100 174.100 173.219 0.881 17995 4033 1 9 . 1 1 78 78 SER CA C 56 56.800 56.800 57.617 -0.817 17995 4034 1 9 . 1 1 78 78 SER CB C 56 65.011 65.011 64.581 0.430 17995 4035 1 9 . 1 1 78 78 SER H H 56 8.727 8.727 8.403 0.324 17995 4036 1 9 . 1 1 79 79 VAL N N 57 128.316 128.316 128.132 0.184 17995 4037 1 9 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.731 0.513 17995 4038 1 9 . 1 1 79 79 VAL C C 57 175.637 175.637 175.259 0.378 17995 4039 1 9 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.637 -0.883 17995 4040 1 9 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.339 1.534 17995 4041 1 9 . 1 1 79 79 VAL H H 57 10.222 10.222 8.603 1.619 17995 4042 1 9 . 1 1 80 80 ASP N N 58 130.058 130.058 127.461 2.597 17995 4043 1 9 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.462 0.384 17995 4044 1 9 . 1 1 80 80 ASP C C 58 177.205 177.205 176.799 0.406 17995 4045 1 9 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.978 -1.502 17995 4046 1 9 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.479 -0.814 17995 4047 1 9 . 1 1 80 80 ASP H H 58 9.396 9.396 7.945 1.451 17995 4048 1 9 . 1 1 81 81 ASP N N 59 122.564 122.564 123.713 -1.149 17995 4049 1 9 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.388 -0.108 17995 4050 1 9 . 1 1 81 81 ASP C C 59 177.291 177.291 177.442 -0.151 17995 4051 1 9 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.664 0.796 17995 4052 1 9 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.024 -0.294 17995 4053 1 9 . 1 1 81 81 ASP H H 59 8.696 8.696 8.735 -0.039 17995 4054 1 9 . 1 1 82 82 ASP N N 60 115.817 115.817 118.610 -2.793 17995 4055 1 9 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.524 0.035 17995 4056 1 9 . 1 1 82 82 ASP C C 60 176.939 176.939 177.482 -0.543 17995 4057 1 9 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.188 -1.327 17995 4058 1 9 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.292 -0.877 17995 4059 1 9 . 1 1 82 82 ASP H H 60 8.460 8.460 8.091 0.369 17995 4060 1 9 . 1 1 83 83 GLU N N 61 118.478 118.478 116.960 1.518 17995 4061 1 9 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.451 -0.150 17995 4062 1 9 . 1 1 83 83 GLU C C 61 175.841 175.841 176.873 -1.032 17995 4063 1 9 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.691 0.612 17995 4064 1 9 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.528 0.963 17995 4065 1 9 . 1 1 83 83 GLU H H 61 7.903 7.903 7.647 0.256 17995 4066 1 9 . 1 1 84 84 ILE N N 62 117.759 117.759 122.051 -4.292 17995 4067 1 9 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.896 0.269 17995 4068 1 9 . 1 1 84 84 ILE C C 62 174.069 174.069 175.376 -1.307 17995 4069 1 9 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.662 -2.168 17995 4070 1 9 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.886 2.249 17995 4071 1 9 . 1 1 84 84 ILE H H 62 7.396 7.396 7.195 0.201 17995 4072 1 9 . 1 1 85 85 SER N N 63 119.980 119.980 123.055 -3.075 17995 4073 1 9 . 1 1 85 85 SER HA H 63 4.789 4.789 4.808 -0.019 17995 4074 1 9 . 1 1 85 85 SER CA C 63 56.772 56.772 56.477 0.295 17995 4075 1 9 . 1 1 85 85 SER CB C 63 66.916 66.916 66.092 0.824 17995 4076 1 9 . 1 1 85 85 SER H H 63 8.384 8.384 8.330 0.054 17995 4077 1 9 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.231 -0.204 17995 4078 1 9 . 1 1 86 86 ALA C C 64 180.211 180.211 179.452 0.759 17995 4079 1 9 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.712 0.789 17995 4080 1 9 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.198 -0.188 17995 4081 1 9 . 1 1 87 87 GLN N N 65 116.123 116.123 114.839 1.284 17995 4082 1 9 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.238 -0.173 17995 4083 1 9 . 1 1 87 87 GLN C C 65 178.564 178.564 176.939 1.625 17995 4084 1 9 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.776 0.963 17995 4085 1 9 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.500 0.943 17995 4086 1 9 . 1 1 87 87 GLN H H 65 7.990 7.990 8.578 -0.588 17995 4087 1 9 . 1 1 88 88 THR N N 66 119.153 119.153 114.522 4.631 17995 4088 1 9 . 1 1 88 88 THR HA H 66 3.631 3.631 4.092 -0.461 17995 4089 1 9 . 1 1 88 88 THR C C 66 174.748 174.748 174.905 -0.157 17995 4090 1 9 . 1 1 88 88 THR CA C 66 66.591 66.591 65.925 0.666 17995 4091 1 9 . 1 1 88 88 THR CB C 66 68.702 68.702 68.820 -0.118 17995 4092 1 9 . 1 1 88 88 THR H H 66 7.738 7.738 7.508 0.230 17995 4093 1 9 . 1 1 89 89 PHE N N 67 115.088 115.088 115.964 -0.876 17995 4094 1 9 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.764 -0.527 17995 4095 1 9 . 1 1 89 89 PHE C C 67 173.600 173.600 176.079 -2.479 17995 4096 1 9 . 1 1 89 89 PHE CA C 67 57.522 57.522 56.862 0.660 17995 4097 1 9 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.309 0.397 17995 4098 1 9 . 1 1 89 89 PHE H H 67 7.180 7.180 7.598 -0.418 17995 4099 1 9 . 1 1 90 90 GLU N N 68 122.222 122.222 119.448 2.774 17995 4100 1 9 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.091 0.076 17995 4101 1 9 . 1 1 90 90 GLU C C 68 178.581 178.581 176.734 1.847 17995 4102 1 9 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.122 1.604 17995 4103 1 9 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.781 0.967 17995 4104 1 9 . 1 1 90 90 GLU H H 68 7.421 7.421 8.114 -0.693 17995 4105 1 9 . 1 1 91 91 THR N N 69 106.383 106.383 110.997 -4.614 17995 4106 1 9 . 1 1 91 91 THR HA H 69 5.477 5.477 4.714 0.763 17995 4107 1 9 . 1 1 91 91 THR C C 69 174.775 174.775 173.789 0.986 17995 4108 1 9 . 1 1 91 91 THR CA C 69 58.798 58.798 59.507 -0.709 17995 4109 1 9 . 1 1 91 91 THR CB C 69 74.841 74.841 71.349 3.492 17995 4110 1 9 . 1 1 91 91 THR H H 69 8.534 8.534 7.196 1.338 17995 4111 1 9 . 1 1 92 92 LEU N N 70 120.326 120.326 123.651 -3.325 17995 4112 1 9 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.152 -0.009 17995 4113 1 9 . 1 1 92 92 LEU C C 70 178.174 178.174 177.771 0.403 17995 4114 1 9 . 1 1 92 92 LEU CA C 70 58.266 58.266 56.992 1.274 17995 4115 1 9 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.409 -1.539 17995 4116 1 9 . 1 1 92 92 LEU H H 70 7.991 7.991 8.611 -0.620 17995 4117 1 9 . 1 1 93 93 GLY N N 71 106.588 106.588 105.964 0.624 17995 4118 1 9 . 1 1 93 93 GLY C C 71 175.300 175.300 175.979 -0.679 17995 4119 1 9 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.528 -0.191 17995 4120 1 9 . 1 1 93 93 GLY H H 71 9.019 9.019 8.341 0.678 17995 4121 1 9 . 1 1 94 94 SER N N 72 120.200 120.200 118.614 1.586 17995 4122 1 9 . 1 1 94 94 SER HA H 72 4.090 4.090 4.233 -0.143 17995 4123 1 9 . 1 1 94 94 SER C C 72 177.631 177.631 176.777 0.854 17995 4124 1 9 . 1 1 94 94 SER CA C 72 62.329 62.329 62.129 0.200 17995 4125 1 9 . 1 1 94 94 SER H H 72 8.709 8.709 7.330 1.379 17995 4126 1 9 . 1 1 95 95 LEU N N 73 129.169 129.169 121.266 7.903 17995 4127 1 9 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.911 0.329 17995 4128 1 9 . 1 1 95 95 LEU C C 73 176.439 176.439 178.851 -2.412 17995 4129 1 9 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.226 0.576 17995 4130 1 9 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.194 1.665 17995 4131 1 9 . 1 1 95 95 LEU H H 73 7.800 7.800 7.398 0.402 17995 4132 1 9 . 1 1 96 96 ALA N N 74 121.721 121.721 122.350 -0.629 17995 4133 1 9 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.945 0.044 17995 4134 1 9 . 1 1 96 96 ALA C C 74 180.456 180.456 179.857 0.599 17995 4135 1 9 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.259 0.443 17995 4136 1 9 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.320 -0.604 17995 4137 1 9 . 1 1 96 96 ALA H H 74 8.612 8.612 8.095 0.517 17995 4138 1 9 . 1 1 97 97 LEU N N 75 122.095 122.095 118.746 3.349 17995 4139 1 9 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.842 0.215 17995 4140 1 9 . 1 1 97 97 LEU C C 75 178.805 178.805 179.059 -0.254 17995 4141 1 9 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.026 0.743 17995 4142 1 9 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.016 1.806 17995 4143 1 9 . 1 1 97 97 LEU H H 75 8.777 8.777 7.963 0.814 17995 4144 1 9 . 1 1 98 98 PHE N N 76 122.741 122.741 118.693 4.048 17995 4145 1 9 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.888 0.374 17995 4146 1 9 . 1 1 98 98 PHE C C 76 176.878 176.878 178.342 -1.464 17995 4147 1 9 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.601 -1.369 17995 4148 1 9 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.501 0.048 17995 4149 1 9 . 1 1 98 98 PHE H H 76 7.889 7.889 7.944 -0.055 17995 4150 1 9 . 1 1 99 99 VAL N N 77 119.641 119.641 114.564 5.077 17995 4151 1 9 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.478 -0.700 17995 4152 1 9 . 1 1 99 99 VAL C C 77 176.414 176.414 177.537 -1.123 17995 4153 1 9 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.776 1.192 17995 4154 1 9 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.177 0.009 17995 4155 1 9 . 1 1 99 99 VAL H H 77 7.599 7.599 8.279 -0.680 17995 4156 1 9 . 1 1 100 100 GLU N N 78 118.850 118.850 121.854 -3.004 17995 4157 1 9 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.235 -0.462 17995 4158 1 9 . 1 1 100 100 GLU C C 78 179.007 179.007 179.126 -0.119 17995 4159 1 9 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.329 0.211 17995 4160 1 9 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.124 0.654 17995 4161 1 9 . 1 1 100 100 GLU H H 78 7.740 7.740 8.250 -0.510 17995 4162 1 9 . 1 1 101 101 HIS N N 79 120.328 120.328 116.860 3.468 17995 4163 1 9 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.085 0.116 17995 4164 1 9 . 1 1 101 101 HIS C C 79 178.242 178.242 177.163 1.079 17995 4165 1 9 . 1 1 101 101 HIS CA C 79 59.238 59.238 57.813 1.425 17995 4166 1 9 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.759 0.179 17995 4167 1 9 . 1 1 101 101 HIS H H 79 8.354 8.354 7.739 0.615 17995 4168 1 9 . 1 1 102 102 LYS N N 80 121.044 121.044 119.383 1.661 17995 4169 1 9 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.004 -0.437 17995 4170 1 9 . 1 1 102 102 LYS C C 80 179.199 179.199 178.844 0.355 17995 4171 1 9 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.462 -1.476 17995 4172 1 9 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.795 -1.619 17995 4173 1 9 . 1 1 102 102 LYS H H 80 7.908 7.908 7.808 0.100 17995 4174 1 9 . 1 1 103 103 LEU N N 81 118.698 118.698 118.758 -0.060 17995 4175 1 9 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.442 -0.284 17995 4176 1 9 . 1 1 103 103 LEU C C 81 178.593 178.593 178.707 -0.114 17995 4177 1 9 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.104 0.292 17995 4178 1 9 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.766 1.543 17995 4179 1 9 . 1 1 103 103 LEU H H 81 7.784 7.784 7.627 0.157 17995 4180 1 9 . 1 1 104 104 SER N N 82 114.826 114.826 114.181 0.645 17995 4181 1 9 . 1 1 104 104 SER HA H 82 4.358 4.358 4.397 -0.039 17995 4182 1 9 . 1 1 104 104 SER C C 82 174.810 174.810 175.049 -0.239 17995 4183 1 9 . 1 1 104 104 SER CA C 82 59.567 59.567 59.998 -0.431 17995 4184 1 9 . 1 1 104 104 SER CB C 82 63.859 63.859 63.447 0.412 17995 4185 1 9 . 1 1 104 104 SER H H 82 7.738 7.738 7.732 0.006 17995 4186 1 10 . 1 1 24 24 GLN N N 2 121.730 121.730 120.234 1.496 17995 4187 1 10 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.439 -0.477 17995 4188 1 10 . 1 1 24 24 GLN C C 2 177.291 177.291 177.997 -0.706 17995 4189 1 10 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.626 0.765 17995 4190 1 10 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.369 -0.659 17995 4191 1 10 . 1 1 24 24 GLN H H 2 8.511 8.511 9.234 -0.723 17995 4192 1 10 . 1 1 25 25 HIS N N 3 116.878 116.878 119.460 -2.582 17995 4193 1 10 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.547 0.556 17995 4194 1 10 . 1 1 25 25 HIS C C 3 175.501 175.501 177.683 -2.182 17995 4195 1 10 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.871 -2.524 17995 4196 1 10 . 1 1 25 25 HIS CB C 3 30.627 30.627 30.145 0.482 17995 4197 1 10 . 1 1 25 25 HIS H H 3 8.216 8.216 8.489 -0.273 17995 4198 1 10 . 1 1 26 26 LEU N N 4 121.540 121.540 119.212 2.328 17995 4199 1 10 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.116 -0.423 17995 4200 1 10 . 1 1 26 26 LEU C C 4 177.649 177.649 178.292 -0.643 17995 4201 1 10 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.291 1.412 17995 4202 1 10 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.185 1.150 17995 4203 1 10 . 1 1 26 26 LEU H H 4 7.447 7.447 8.193 -0.746 17995 4204 1 10 . 1 1 27 27 GLU N N 5 118.441 118.441 119.779 -1.338 17995 4205 1 10 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.976 -0.085 17995 4206 1 10 . 1 1 27 27 GLU C C 5 178.162 178.162 178.478 -0.316 17995 4207 1 10 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.225 0.397 17995 4208 1 10 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.579 -0.502 17995 4209 1 10 . 1 1 27 27 GLU H H 5 8.561 8.561 7.814 0.747 17995 4210 1 10 . 1 1 28 28 ALA N N 6 122.005 122.005 122.221 -0.216 17995 4211 1 10 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.155 -0.023 17995 4212 1 10 . 1 1 28 28 ALA C C 6 180.421 180.421 179.959 0.462 17995 4213 1 10 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.839 0.440 17995 4214 1 10 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.091 0.675 17995 4215 1 10 . 1 1 28 28 ALA H H 6 8.205 8.205 7.648 0.557 17995 4216 1 10 . 1 1 29 29 VAL N N 7 116.985 116.985 119.562 -2.577 17995 4217 1 10 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.623 -0.114 17995 4218 1 10 . 1 1 29 29 VAL C C 7 177.034 177.034 177.692 -0.658 17995 4219 1 10 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.972 0.391 17995 4220 1 10 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.689 -0.250 17995 4221 1 10 . 1 1 29 29 VAL H H 7 8.392 8.392 8.042 0.350 17995 4222 1 10 . 1 1 30 30 ARG N N 8 121.674 121.674 118.978 2.696 17995 4223 1 10 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.031 -0.367 17995 4224 1 10 . 1 1 30 30 ARG C C 8 177.810 177.810 178.418 -0.608 17995 4225 1 10 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.292 1.233 17995 4226 1 10 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.441 1.225 17995 4227 1 10 . 1 1 30 30 ARG H H 8 8.784 8.784 8.370 0.414 17995 4228 1 10 . 1 1 31 31 ASN N N 9 118.102 118.102 118.768 -0.666 17995 4229 1 10 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.543 -0.259 17995 4230 1 10 . 1 1 31 31 ASN C C 9 177.890 177.890 177.831 0.059 17995 4231 1 10 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.975 0.279 17995 4232 1 10 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.237 -0.649 17995 4233 1 10 . 1 1 31 31 ASN H H 9 8.144 8.144 7.953 0.191 17995 4234 1 10 . 1 1 32 32 ILE N N 10 123.614 123.614 121.167 2.447 17995 4235 1 10 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.564 0.228 17995 4236 1 10 . 1 1 32 32 ILE C C 10 177.810 177.810 177.536 0.274 17995 4237 1 10 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.167 0.091 17995 4238 1 10 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.997 0.737 17995 4239 1 10 . 1 1 32 32 ILE H H 10 8.137 8.137 7.733 0.404 17995 4240 1 10 . 1 1 33 33 LEU N N 11 119.797 119.797 119.750 0.047 17995 4241 1 10 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.951 -0.165 17995 4242 1 10 . 1 1 33 33 LEU C C 11 179.039 179.039 179.455 -0.416 17995 4243 1 10 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.070 0.640 17995 4244 1 10 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.336 0.740 17995 4245 1 10 . 1 1 33 33 LEU H H 11 8.637 8.637 8.482 0.155 17995 4246 1 10 . 1 1 34 34 GLY N N 12 103.682 103.682 105.920 -2.238 17995 4247 1 10 . 1 1 34 34 GLY C C 12 175.242 175.242 175.588 -0.346 17995 4248 1 10 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.860 0.858 17995 4249 1 10 . 1 1 34 34 GLY H H 12 8.513 8.513 8.370 0.143 17995 4250 1 10 . 1 1 35 35 ASP N N 13 122.235 122.235 121.571 0.664 17995 4251 1 10 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.582 0.003 17995 4252 1 10 . 1 1 35 35 ASP C C 13 179.013 179.013 178.149 0.864 17995 4253 1 10 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.647 0.269 17995 4254 1 10 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.247 -0.201 17995 4255 1 10 . 1 1 35 35 ASP H H 13 7.968 7.968 7.668 0.300 17995 4256 1 10 . 1 1 36 36 VAL N N 14 120.841 120.841 119.859 0.982 17995 4257 1 10 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.896 -0.219 17995 4258 1 10 . 1 1 36 36 VAL C C 14 177.797 177.797 177.656 0.141 17995 4259 1 10 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.436 0.568 17995 4260 1 10 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.072 0.160 17995 4261 1 10 . 1 1 36 36 VAL H H 14 8.765 8.765 8.074 0.691 17995 4262 1 10 . 1 1 37 37 LEU N N 15 114.630 114.630 116.017 -1.387 17995 4263 1 10 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.406 -0.125 17995 4264 1 10 . 1 1 37 37 LEU C C 15 175.483 175.483 176.120 -0.637 17995 4265 1 10 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.256 -0.086 17995 4266 1 10 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.784 -0.090 17995 4267 1 10 . 1 1 37 37 LEU H H 15 7.942 7.942 8.051 -0.109 17995 4268 1 10 . 1 1 38 38 ASN N N 16 116.887 116.887 116.334 0.553 17995 4269 1 10 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.473 0.061 17995 4270 1 10 . 1 1 38 38 ASN C C 16 175.668 175.668 175.163 0.505 17995 4271 1 10 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.985 -0.065 17995 4272 1 10 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.406 -0.548 17995 4273 1 10 . 1 1 38 38 ASN H H 16 7.561 7.561 7.612 -0.051 17995 4274 1 10 . 1 1 39 39 LEU N N 17 114.676 114.676 118.927 -4.251 17995 4275 1 10 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.267 -0.197 17995 4276 1 10 . 1 1 39 39 LEU C C 17 178.415 178.415 178.080 0.335 17995 4277 1 10 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.020 -0.276 17995 4278 1 10 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.413 0.862 17995 4279 1 10 . 1 1 39 39 LEU H H 17 8.233 8.233 8.089 0.144 17995 4280 1 10 . 1 1 40 40 GLY N N 18 109.665 109.665 107.567 2.098 17995 4281 1 10 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.720 -0.415 17995 4282 1 10 . 1 1 40 40 GLY H H 18 8.678 8.678 7.822 0.856 17995 4283 1 10 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.284 -0.156 17995 4284 1 10 . 1 1 41 41 GLU C C 19 178.328 178.328 178.253 0.075 17995 4285 1 10 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.959 1.305 17995 4286 1 10 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.988 -0.908 17995 4287 1 10 . 1 1 42 42 ARG N N 20 118.936 118.936 120.950 -2.014 17995 4288 1 10 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.160 0.015 17995 4289 1 10 . 1 1 42 42 ARG C C 20 178.912 178.912 177.814 1.098 17995 4290 1 10 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.624 -0.387 17995 4291 1 10 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.308 -0.252 17995 4292 1 10 . 1 1 42 42 ARG H H 20 7.979 7.979 7.820 0.159 17995 4293 1 10 . 1 1 43 43 LYS N N 21 119.087 119.087 114.255 4.832 17995 4294 1 10 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.062 -0.314 17995 4295 1 10 . 1 1 43 43 LYS C C 21 176.559 176.559 177.500 -0.941 17995 4296 1 10 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.839 0.259 17995 4297 1 10 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.666 0.315 17995 4298 1 10 . 1 1 43 43 LYS H H 21 7.719 7.719 8.231 -0.512 17995 4299 1 10 . 1 1 44 44 HIS N N 22 115.571 115.571 117.223 -1.652 17995 4300 1 10 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.604 -0.176 17995 4301 1 10 . 1 1 44 44 HIS C C 22 176.288 176.288 175.769 0.519 17995 4302 1 10 . 1 1 44 44 HIS CA C 22 57.784 57.784 57.990 -0.206 17995 4303 1 10 . 1 1 44 44 HIS CB C 22 30.470 30.470 31.257 -0.787 17995 4304 1 10 . 1 1 44 44 HIS H H 22 7.124 7.124 7.761 -0.637 17995 4305 1 10 . 1 1 45 45 THR N N 23 107.890 107.890 113.926 -6.036 17995 4306 1 10 . 1 1 45 45 THR HA H 23 4.355 4.355 4.197 0.158 17995 4307 1 10 . 1 1 45 45 THR C C 23 174.650 174.650 175.042 -0.392 17995 4308 1 10 . 1 1 45 45 THR CA C 23 61.627 61.627 62.617 -0.990 17995 4309 1 10 . 1 1 45 45 THR CB C 23 69.475 69.475 69.060 0.415 17995 4310 1 10 . 1 1 45 45 THR H H 23 7.441 7.441 7.548 -0.107 17995 4311 1 10 . 1 1 46 46 LEU N N 24 121.435 121.435 118.989 2.446 17995 4312 1 10 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.965 -0.342 17995 4313 1 10 . 1 1 46 46 LEU C C 24 176.537 176.537 175.158 1.379 17995 4314 1 10 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.201 1.389 17995 4315 1 10 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.960 0.157 17995 4316 1 10 . 1 1 46 46 LEU H H 24 7.059 7.059 7.292 -0.233 17995 4317 1 10 . 1 1 47 47 THR N N 25 116.104 116.104 113.352 2.752 17995 4318 1 10 . 1 1 47 47 THR HA H 25 4.605 4.605 4.656 -0.051 17995 4319 1 10 . 1 1 47 47 THR C C 25 175.526 175.526 175.841 -0.315 17995 4320 1 10 . 1 1 47 47 THR CA C 25 59.878 59.878 60.146 -0.268 17995 4321 1 10 . 1 1 47 47 THR CB C 25 71.752 71.752 70.636 1.115 17995 4322 1 10 . 1 1 47 47 THR H H 25 9.432 9.432 7.957 1.475 17995 4323 1 10 . 1 1 48 48 ALA N N 26 122.234 122.234 122.227 0.007 17995 4324 1 10 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.130 -0.321 17995 4325 1 10 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.500 0.093 17995 4326 1 10 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.371 0.283 17995 4327 1 10 . 1 1 48 48 ALA H H 26 9.142 9.142 8.512 0.630 17995 4328 1 10 . 1 1 49 49 SER HA H 27 4.448 4.448 4.352 0.096 17995 4329 1 10 . 1 1 49 49 SER C C 27 174.637 174.637 174.656 -0.019 17995 4330 1 10 . 1 1 49 49 SER CA C 27 58.348 58.348 58.321 0.027 17995 4331 1 10 . 1 1 49 49 SER CB C 27 63.704 63.704 62.519 1.185 17995 4332 1 10 . 1 1 50 50 SER N N 28 122.032 122.032 117.451 4.581 17995 4333 1 10 . 1 1 50 50 SER HA H 28 4.269 4.269 4.391 -0.122 17995 4334 1 10 . 1 1 50 50 SER C C 28 172.904 172.904 173.848 -0.944 17995 4335 1 10 . 1 1 50 50 SER CA C 28 60.846 60.846 58.439 2.407 17995 4336 1 10 . 1 1 50 50 SER CB C 28 63.063 63.063 63.558 -0.495 17995 4337 1 10 . 1 1 50 50 SER H H 28 8.157 8.157 7.481 0.676 17995 4338 1 10 . 1 1 51 51 VAL N N 29 127.079 127.079 126.293 0.786 17995 4339 1 10 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.256 0.086 17995 4340 1 10 . 1 1 51 51 VAL C C 29 176.612 176.612 175.650 0.962 17995 4341 1 10 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.461 -0.013 17995 4342 1 10 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.551 -0.326 17995 4343 1 10 . 1 1 51 51 VAL H H 29 8.505 8.505 8.375 0.130 17995 4344 1 10 . 1 1 52 52 LEU N N 30 126.014 126.014 125.115 0.899 17995 4345 1 10 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.571 0.224 17995 4346 1 10 . 1 1 52 52 LEU C C 30 176.569 176.569 177.404 -0.835 17995 4347 1 10 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.625 -1.093 17995 4348 1 10 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.742 -1.738 17995 4349 1 10 . 1 1 52 52 LEU H H 30 7.954 7.954 8.378 -0.424 17995 4350 1 10 . 1 1 53 53 LEU N N 31 122.601 122.601 119.988 2.613 17995 4351 1 10 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.903 0.183 17995 4352 1 10 . 1 1 53 53 LEU C C 31 177.683 177.683 178.417 -0.734 17995 4353 1 10 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.660 0.715 17995 4354 1 10 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.634 0.185 17995 4355 1 10 . 1 1 53 53 LEU H H 31 7.777 7.777 7.630 0.147 17995 4356 1 10 . 1 1 54 54 GLY N N 32 114.941 114.941 114.105 0.836 17995 4357 1 10 . 1 1 54 54 GLY C C 32 173.612 173.612 174.683 -1.071 17995 4358 1 10 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.776 -0.218 17995 4359 1 10 . 1 1 54 54 GLY H H 32 9.121 9.121 9.155 -0.034 17995 4360 1 10 . 1 1 55 55 ASN N N 33 117.901 117.901 120.521 -2.620 17995 4361 1 10 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.736 0.194 17995 4362 1 10 . 1 1 55 55 ASN C C 33 174.458 174.458 176.479 -2.021 17995 4363 1 10 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.568 -0.749 17995 4364 1 10 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.553 1.994 17995 4365 1 10 . 1 1 55 55 ASN H H 33 7.789 7.789 7.842 -0.053 17995 4366 1 10 . 1 1 56 56 ILE N N 34 120.163 120.163 122.558 -2.395 17995 4367 1 10 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.360 0.177 17995 4368 1 10 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.265 -0.264 17995 4369 1 10 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.271 1.822 17995 4370 1 10 . 1 1 56 56 ILE H H 34 7.703 7.703 7.848 -0.145 17995 4371 1 10 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.397 -0.224 17995 4372 1 10 . 1 1 57 57 PRO C C 35 177.969 177.969 176.708 1.261 17995 4373 1 10 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.297 0.979 17995 4374 1 10 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.152 -0.218 17995 4375 1 10 . 1 1 58 58 GLU N N 36 116.701 116.701 116.847 -0.146 17995 4376 1 10 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.318 -0.346 17995 4377 1 10 . 1 1 58 58 GLU C C 36 176.612 176.612 176.138 0.474 17995 4378 1 10 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.028 3.319 17995 4379 1 10 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.487 0.345 17995 4380 1 10 . 1 1 58 58 GLU H H 36 9.581 9.581 8.578 1.003 17995 4381 1 10 . 1 1 59 59 LEU N N 37 121.189 121.189 123.731 -2.542 17995 4382 1 10 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.279 0.033 17995 4383 1 10 . 1 1 59 59 LEU C C 37 173.353 173.353 175.767 -2.414 17995 4384 1 10 . 1 1 59 59 LEU CA C 37 53.278 53.278 55.371 -2.093 17995 4385 1 10 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.639 0.360 17995 4386 1 10 . 1 1 59 59 LEU H H 37 7.560 7.560 7.257 0.303 17995 4387 1 10 . 1 1 60 60 ASP N N 38 126.468 126.468 125.036 1.432 17995 4388 1 10 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.812 -0.097 17995 4389 1 10 . 1 1 60 60 ASP C C 38 175.828 175.828 176.794 -0.966 17995 4390 1 10 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.589 -1.669 17995 4391 1 10 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.121 -2.565 17995 4392 1 10 . 1 1 60 60 ASP H H 38 7.527 7.527 7.565 -0.038 17995 4393 1 10 . 1 1 61 61 SER N N 39 113.128 113.128 114.824 -1.696 17995 4394 1 10 . 1 1 61 61 SER HA H 39 4.019 4.019 4.244 -0.225 17995 4395 1 10 . 1 1 61 61 SER C C 39 175.854 175.854 176.683 -0.829 17995 4396 1 10 . 1 1 61 61 SER CA C 39 61.276 61.276 61.373 -0.097 17995 4397 1 10 . 1 1 61 61 SER CB C 39 65.520 65.520 62.978 2.542 17995 4398 1 10 . 1 1 61 61 SER H H 39 8.623 8.623 8.512 0.111 17995 4399 1 10 . 1 1 62 62 MET N N 40 121.706 121.706 121.070 0.636 17995 4400 1 10 . 1 1 62 62 MET HA H 40 4.303 4.303 4.231 0.072 17995 4401 1 10 . 1 1 62 62 MET C C 40 177.755 177.755 178.153 -0.398 17995 4402 1 10 . 1 1 62 62 MET CA C 40 57.714 57.714 57.252 0.462 17995 4403 1 10 . 1 1 62 62 MET CB C 40 32.386 32.386 31.136 1.250 17995 4404 1 10 . 1 1 62 62 MET H H 40 7.802 7.802 8.426 -0.624 17995 4405 1 10 . 1 1 63 63 ALA N N 41 124.277 124.277 121.885 2.392 17995 4406 1 10 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.121 0.050 17995 4407 1 10 . 1 1 63 63 ALA C C 41 179.893 179.893 179.570 0.323 17995 4408 1 10 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.731 0.370 17995 4409 1 10 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.643 2.013 17995 4410 1 10 . 1 1 63 63 ALA H H 41 8.295 8.295 8.029 0.266 17995 4411 1 10 . 1 1 64 64 VAL N N 42 118.186 118.186 115.595 2.591 17995 4412 1 10 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.335 -0.342 17995 4413 1 10 . 1 1 64 64 VAL C C 42 177.327 177.327 177.423 -0.096 17995 4414 1 10 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.633 1.679 17995 4415 1 10 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.184 0.008 17995 4416 1 10 . 1 1 64 64 VAL H H 42 8.019 8.019 7.470 0.549 17995 4417 1 10 . 1 1 65 65 VAL N N 43 118.361 118.361 121.129 -2.768 17995 4418 1 10 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.472 0.092 17995 4419 1 10 . 1 1 65 65 VAL C C 43 178.520 178.520 178.132 0.388 17995 4420 1 10 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.404 0.153 17995 4421 1 10 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.154 0.346 17995 4422 1 10 . 1 1 65 65 VAL H H 43 6.942 6.942 7.342 -0.400 17995 4423 1 10 . 1 1 66 66 ASN N N 44 119.476 119.476 118.083 1.393 17995 4424 1 10 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.479 0.083 17995 4425 1 10 . 1 1 66 66 ASN C C 44 178.760 178.760 178.134 0.626 17995 4426 1 10 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.182 -0.346 17995 4427 1 10 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.310 -0.503 17995 4428 1 10 . 1 1 66 66 ASN H H 44 7.789 7.789 7.844 -0.055 17995 4429 1 10 . 1 1 67 67 VAL N N 45 124.029 124.029 117.249 6.780 17995 4430 1 10 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.872 -0.254 17995 4431 1 10 . 1 1 67 67 VAL C C 45 177.100 177.100 177.748 -0.648 17995 4432 1 10 . 1 1 67 67 VAL CA C 45 67.366 67.366 66.105 1.262 17995 4433 1 10 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.569 -0.109 17995 4434 1 10 . 1 1 67 67 VAL H H 45 9.055 9.055 7.832 1.223 17995 4435 1 10 . 1 1 68 68 ILE N N 46 121.006 121.006 122.227 -1.221 17995 4436 1 10 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.739 0.049 17995 4437 1 10 . 1 1 68 68 ILE C C 46 177.871 177.871 178.014 -0.143 17995 4438 1 10 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.448 -0.186 17995 4439 1 10 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.586 -1.419 17995 4440 1 10 . 1 1 68 68 ILE H H 46 8.509 8.509 7.737 0.772 17995 4441 1 10 . 1 1 69 69 THR N N 47 116.096 116.096 117.039 -0.943 17995 4442 1 10 . 1 1 69 69 THR HA H 47 4.391 4.391 4.117 0.274 17995 4443 1 10 . 1 1 69 69 THR C C 47 176.365 176.365 176.529 -0.164 17995 4444 1 10 . 1 1 69 69 THR CA C 47 66.256 66.256 67.131 -0.875 17995 4445 1 10 . 1 1 69 69 THR CB C 47 69.098 69.098 68.389 0.709 17995 4446 1 10 . 1 1 69 69 THR H H 47 8.512 8.512 7.902 0.610 17995 4447 1 10 . 1 1 70 70 ALA N N 48 123.948 123.948 123.865 0.083 17995 4448 1 10 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.193 0.110 17995 4449 1 10 . 1 1 70 70 ALA C C 48 181.452 181.452 179.654 1.798 17995 4450 1 10 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.259 -0.076 17995 4451 1 10 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.309 1.113 17995 4452 1 10 . 1 1 70 70 ALA H H 48 7.802 7.802 7.971 -0.169 17995 4453 1 10 . 1 1 71 71 LEU N N 49 121.199 121.199 119.157 2.042 17995 4454 1 10 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.026 0.197 17995 4455 1 10 . 1 1 71 71 LEU C C 49 178.192 178.192 179.470 -1.278 17995 4456 1 10 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.405 0.156 17995 4457 1 10 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.009 1.442 17995 4458 1 10 . 1 1 71 71 LEU H H 49 8.802 8.802 8.263 0.539 17995 4459 1 10 . 1 1 72 72 GLU N N 50 119.782 119.782 118.696 1.086 17995 4460 1 10 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.344 -0.854 17995 4461 1 10 . 1 1 72 72 GLU C C 50 180.303 180.303 179.540 0.763 17995 4462 1 10 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.805 0.046 17995 4463 1 10 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.519 1.589 17995 4464 1 10 . 1 1 72 72 GLU H H 50 8.762 8.762 8.382 0.380 17995 4465 1 10 . 1 1 73 73 GLU N N 51 116.902 116.902 119.361 -2.459 17995 4466 1 10 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.084 -0.032 17995 4467 1 10 . 1 1 73 73 GLU C C 51 178.334 178.334 178.748 -0.414 17995 4468 1 10 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.720 -0.102 17995 4469 1 10 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.468 0.614 17995 4470 1 10 . 1 1 73 73 GLU H H 51 7.953 7.953 7.856 0.097 17995 4471 1 10 . 1 1 74 74 TYR N N 52 119.999 119.999 117.441 2.558 17995 4472 1 10 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.319 -0.437 17995 4473 1 10 . 1 1 74 74 TYR C C 52 177.384 177.384 178.026 -0.642 17995 4474 1 10 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.795 0.805 17995 4475 1 10 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.755 0.890 17995 4476 1 10 . 1 1 74 74 TYR H H 52 8.078 8.078 7.937 0.141 17995 4477 1 10 . 1 1 75 75 PHE N N 53 113.650 113.650 115.327 -1.677 17995 4478 1 10 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.206 -0.020 17995 4479 1 10 . 1 1 75 75 PHE C C 53 174.485 174.485 175.310 -0.825 17995 4480 1 10 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.998 0.245 17995 4481 1 10 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.394 1.646 17995 4482 1 10 . 1 1 75 75 PHE H H 53 8.244 8.244 7.975 0.269 17995 4483 1 10 . 1 1 76 76 ASP N N 54 119.712 119.712 118.473 1.239 17995 4484 1 10 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.402 -0.022 17995 4485 1 10 . 1 1 76 76 ASP C C 54 174.118 174.118 175.170 -1.052 17995 4486 1 10 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.048 -0.185 17995 4487 1 10 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.655 -0.499 17995 4488 1 10 . 1 1 76 76 ASP H H 54 7.596 7.596 7.712 -0.116 17995 4489 1 10 . 1 1 77 77 PHE N N 55 113.804 113.804 116.474 -2.670 17995 4490 1 10 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.024 0.051 17995 4491 1 10 . 1 1 77 77 PHE C C 55 174.384 174.384 174.053 0.331 17995 4492 1 10 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.169 -0.733 17995 4493 1 10 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.158 0.472 17995 4494 1 10 . 1 1 77 77 PHE H H 55 7.725 7.725 7.800 -0.075 17995 4495 1 10 . 1 1 78 78 SER N N 56 114.319 114.319 116.450 -2.131 17995 4496 1 10 . 1 1 78 78 SER HA H 56 5.149 5.149 4.976 0.173 17995 4497 1 10 . 1 1 78 78 SER C C 56 174.100 174.100 173.178 0.922 17995 4498 1 10 . 1 1 78 78 SER CA C 56 56.800 56.800 56.501 0.299 17995 4499 1 10 . 1 1 78 78 SER CB C 56 65.011 65.011 63.969 1.042 17995 4500 1 10 . 1 1 78 78 SER H H 56 8.727 8.727 8.430 0.297 17995 4501 1 10 . 1 1 79 79 VAL N N 57 128.316 128.316 128.947 -0.631 17995 4502 1 10 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.570 0.674 17995 4503 1 10 . 1 1 79 79 VAL C C 57 175.637 175.637 175.097 0.540 17995 4504 1 10 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.743 -0.989 17995 4505 1 10 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.461 1.412 17995 4506 1 10 . 1 1 79 79 VAL H H 57 10.222 10.222 8.568 1.654 17995 4507 1 10 . 1 1 80 80 ASP N N 58 130.058 130.058 127.044 3.014 17995 4508 1 10 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.508 0.338 17995 4509 1 10 . 1 1 80 80 ASP C C 58 177.205 177.205 176.981 0.224 17995 4510 1 10 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.349 -0.873 17995 4511 1 10 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.079 -0.414 17995 4512 1 10 . 1 1 80 80 ASP H H 58 9.396 9.396 7.922 1.474 17995 4513 1 10 . 1 1 81 81 ASP N N 59 122.564 122.564 125.352 -2.788 17995 4514 1 10 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.304 -0.024 17995 4515 1 10 . 1 1 81 81 ASP C C 59 177.291 177.291 177.654 -0.363 17995 4516 1 10 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.182 0.278 17995 4517 1 10 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.075 -0.345 17995 4518 1 10 . 1 1 81 81 ASP H H 59 8.696 8.696 8.802 -0.106 17995 4519 1 10 . 1 1 82 82 ASP N N 60 115.817 115.817 118.407 -2.590 17995 4520 1 10 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.522 0.037 17995 4521 1 10 . 1 1 82 82 ASP C C 60 176.939 176.939 177.398 -0.459 17995 4522 1 10 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.080 -1.219 17995 4523 1 10 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.155 -0.740 17995 4524 1 10 . 1 1 82 82 ASP H H 60 8.460 8.460 7.998 0.462 17995 4525 1 10 . 1 1 83 83 GLU N N 61 118.478 118.478 116.790 1.688 17995 4526 1 10 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.424 -0.123 17995 4527 1 10 . 1 1 83 83 GLU C C 61 175.841 175.841 176.378 -0.537 17995 4528 1 10 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.556 0.748 17995 4529 1 10 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.580 0.911 17995 4530 1 10 . 1 1 83 83 GLU H H 61 7.903 7.903 7.721 0.182 17995 4531 1 10 . 1 1 84 84 ILE N N 62 117.759 117.759 121.595 -3.836 17995 4532 1 10 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.821 0.344 17995 4533 1 10 . 1 1 84 84 ILE C C 62 174.069 174.069 175.104 -1.035 17995 4534 1 10 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.837 -2.343 17995 4535 1 10 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.048 2.087 17995 4536 1 10 . 1 1 84 84 ILE H H 62 7.396 7.396 7.140 0.256 17995 4537 1 10 . 1 1 85 85 SER N N 63 119.980 119.980 121.503 -1.523 17995 4538 1 10 . 1 1 85 85 SER HA H 63 4.789 4.789 4.735 0.054 17995 4539 1 10 . 1 1 85 85 SER CA C 63 56.772 56.772 56.361 0.411 17995 4540 1 10 . 1 1 85 85 SER CB C 63 66.916 66.916 66.129 0.787 17995 4541 1 10 . 1 1 85 85 SER H H 63 8.384 8.384 8.073 0.311 17995 4542 1 10 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.309 -0.281 17995 4543 1 10 . 1 1 86 86 ALA C C 64 180.211 180.211 179.515 0.696 17995 4544 1 10 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.842 0.659 17995 4545 1 10 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.772 -0.762 17995 4546 1 10 . 1 1 87 87 GLN N N 65 116.123 116.123 115.653 0.470 17995 4547 1 10 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.190 -0.125 17995 4548 1 10 . 1 1 87 87 GLN C C 65 178.564 178.564 178.157 0.407 17995 4549 1 10 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.241 1.498 17995 4550 1 10 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.718 0.725 17995 4551 1 10 . 1 1 87 87 GLN H H 65 7.990 7.990 7.971 0.019 17995 4552 1 10 . 1 1 88 88 THR N N 66 119.153 119.153 117.627 1.526 17995 4553 1 10 . 1 1 88 88 THR HA H 66 3.631 3.631 3.953 -0.322 17995 4554 1 10 . 1 1 88 88 THR C C 66 174.748 174.748 174.641 0.107 17995 4555 1 10 . 1 1 88 88 THR CA C 66 66.591 66.591 66.150 0.441 17995 4556 1 10 . 1 1 88 88 THR CB C 66 68.702 68.702 68.411 0.291 17995 4557 1 10 . 1 1 88 88 THR H H 66 7.738 7.738 7.580 0.158 17995 4558 1 10 . 1 1 89 89 PHE N N 67 115.088 115.088 115.996 -0.908 17995 4559 1 10 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.647 -0.410 17995 4560 1 10 . 1 1 89 89 PHE C C 67 173.600 173.600 176.237 -2.637 17995 4561 1 10 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.333 0.189 17995 4562 1 10 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.258 1.448 17995 4563 1 10 . 1 1 89 89 PHE H H 67 7.180 7.180 7.665 -0.485 17995 4564 1 10 . 1 1 90 90 GLU N N 68 122.222 122.222 119.908 2.314 17995 4565 1 10 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.093 0.074 17995 4566 1 10 . 1 1 90 90 GLU C C 68 178.581 178.581 176.671 1.910 17995 4567 1 10 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.826 0.900 17995 4568 1 10 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.934 0.814 17995 4569 1 10 . 1 1 90 90 GLU H H 68 7.421 7.421 7.628 -0.207 17995 4570 1 10 . 1 1 91 91 THR N N 69 106.383 106.383 108.481 -2.098 17995 4571 1 10 . 1 1 91 91 THR HA H 69 5.477 5.477 4.822 0.655 17995 4572 1 10 . 1 1 91 91 THR C C 69 174.775 174.775 174.395 0.380 17995 4573 1 10 . 1 1 91 91 THR CA C 69 58.798 58.798 59.547 -0.749 17995 4574 1 10 . 1 1 91 91 THR CB C 69 74.841 74.841 72.922 1.919 17995 4575 1 10 . 1 1 91 91 THR H H 69 8.534 8.534 7.382 1.152 17995 4576 1 10 . 1 1 92 92 LEU N N 70 120.326 120.326 123.085 -2.759 17995 4577 1 10 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.090 0.053 17995 4578 1 10 . 1 1 92 92 LEU C C 70 178.174 178.174 178.170 0.004 17995 4579 1 10 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.951 0.315 17995 4580 1 10 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.014 -1.144 17995 4581 1 10 . 1 1 92 92 LEU H H 70 7.991 7.991 8.694 -0.703 17995 4582 1 10 . 1 1 93 93 GLY N N 71 106.588 106.588 104.903 1.685 17995 4583 1 10 . 1 1 93 93 GLY C C 71 175.300 175.300 176.112 -0.812 17995 4584 1 10 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.403 -0.066 17995 4585 1 10 . 1 1 93 93 GLY H H 71 9.019 9.019 8.543 0.476 17995 4586 1 10 . 1 1 94 94 SER N N 72 120.200 120.200 118.632 1.568 17995 4587 1 10 . 1 1 94 94 SER HA H 72 4.090 4.090 4.271 -0.181 17995 4588 1 10 . 1 1 94 94 SER C C 72 177.631 177.631 176.753 0.878 17995 4589 1 10 . 1 1 94 94 SER CA C 72 62.329 62.329 62.161 0.168 17995 4590 1 10 . 1 1 94 94 SER H H 72 8.709 8.709 7.386 1.323 17995 4591 1 10 . 1 1 95 95 LEU N N 73 129.169 129.169 121.885 7.284 17995 4592 1 10 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.926 0.314 17995 4593 1 10 . 1 1 95 95 LEU C C 73 176.439 176.439 179.039 -2.600 17995 4594 1 10 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.138 0.664 17995 4595 1 10 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.118 1.741 17995 4596 1 10 . 1 1 95 95 LEU H H 73 7.800 7.800 7.498 0.302 17995 4597 1 10 . 1 1 96 96 ALA N N 74 121.721 121.721 122.426 -0.705 17995 4598 1 10 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.053 -0.064 17995 4599 1 10 . 1 1 96 96 ALA C C 74 180.456 180.456 180.012 0.444 17995 4600 1 10 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.245 0.457 17995 4601 1 10 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.393 -0.677 17995 4602 1 10 . 1 1 96 96 ALA H H 74 8.612 8.612 8.116 0.496 17995 4603 1 10 . 1 1 97 97 LEU N N 75 122.095 122.095 119.322 2.773 17995 4604 1 10 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.024 0.033 17995 4605 1 10 . 1 1 97 97 LEU C C 75 178.805 178.805 179.303 -0.498 17995 4606 1 10 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.969 -0.200 17995 4607 1 10 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.564 1.258 17995 4608 1 10 . 1 1 97 97 LEU H H 75 8.777 8.777 7.914 0.863 17995 4609 1 10 . 1 1 98 98 PHE N N 76 122.741 122.741 117.520 5.221 17995 4610 1 10 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.884 0.378 17995 4611 1 10 . 1 1 98 98 PHE C C 76 176.878 176.878 178.204 -1.326 17995 4612 1 10 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.238 -1.006 17995 4613 1 10 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.234 0.315 17995 4614 1 10 . 1 1 98 98 PHE H H 76 7.889 7.889 7.965 -0.076 17995 4615 1 10 . 1 1 99 99 VAL N N 77 119.641 119.641 115.616 4.025 17995 4616 1 10 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.781 -1.003 17995 4617 1 10 . 1 1 99 99 VAL C C 77 176.414 176.414 177.684 -1.270 17995 4618 1 10 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.536 1.432 17995 4619 1 10 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.750 0.436 17995 4620 1 10 . 1 1 99 99 VAL H H 77 7.599 7.599 8.324 -0.725 17995 4621 1 10 . 1 1 100 100 GLU N N 78 118.850 118.850 122.019 -3.169 17995 4622 1 10 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.255 -0.482 17995 4623 1 10 . 1 1 100 100 GLU C C 78 179.007 179.007 179.256 -0.249 17995 4624 1 10 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.428 0.112 17995 4625 1 10 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.967 0.811 17995 4626 1 10 . 1 1 100 100 GLU H H 78 7.740 7.740 8.264 -0.524 17995 4627 1 10 . 1 1 101 101 HIS N N 79 120.328 120.328 117.908 2.420 17995 4628 1 10 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.073 0.128 17995 4629 1 10 . 1 1 101 101 HIS C C 79 178.242 178.242 177.382 0.860 17995 4630 1 10 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.431 0.807 17995 4631 1 10 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.899 0.039 17995 4632 1 10 . 1 1 101 101 HIS H H 79 8.354 8.354 8.021 0.333 17995 4633 1 10 . 1 1 102 102 LYS N N 80 121.044 121.044 118.425 2.619 17995 4634 1 10 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.108 -0.541 17995 4635 1 10 . 1 1 102 102 LYS C C 80 179.199 179.199 179.410 -0.211 17995 4636 1 10 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.827 -1.840 17995 4637 1 10 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.238 -2.062 17995 4638 1 10 . 1 1 102 102 LYS H H 80 7.908 7.908 7.820 0.088 17995 4639 1 10 . 1 1 103 103 LEU N N 81 118.698 118.698 118.258 0.440 17995 4640 1 10 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.489 -0.331 17995 4641 1 10 . 1 1 103 103 LEU C C 81 178.593 178.593 178.693 -0.100 17995 4642 1 10 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.710 0.686 17995 4643 1 10 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.471 1.838 17995 4644 1 10 . 1 1 103 103 LEU H H 81 7.784 7.784 7.766 0.018 17995 4645 1 10 . 1 1 104 104 SER N N 82 114.826 114.826 113.146 1.680 17995 4646 1 10 . 1 1 104 104 SER HA H 82 4.358 4.358 4.446 -0.088 17995 4647 1 10 . 1 1 104 104 SER C C 82 174.810 174.810 174.483 0.327 17995 4648 1 10 . 1 1 104 104 SER CA C 82 59.567 59.567 59.330 0.237 17995 4649 1 10 . 1 1 104 104 SER CB C 82 63.859 63.859 63.305 0.554 17995 4650 1 10 . 1 1 104 104 SER H H 82 7.738 7.738 7.690 0.048 17995 4651 1 11 . 1 1 24 24 GLN N N 2 121.730 121.730 126.111 -4.381 17995 4652 1 11 . 1 1 24 24 GLN HA H 2 3.962 3.962 3.862 0.100 17995 4653 1 11 . 1 1 24 24 GLN C C 2 177.291 177.291 177.697 -0.406 17995 4654 1 11 . 1 1 24 24 GLN CA C 2 58.391 58.391 58.729 -0.338 17995 4655 1 11 . 1 1 24 24 GLN CB C 2 28.710 28.710 27.957 0.753 17995 4656 1 11 . 1 1 24 24 GLN H H 2 8.511 8.511 8.977 -0.466 17995 4657 1 11 . 1 1 25 25 HIS N N 3 116.878 116.878 119.945 -3.067 17995 4658 1 11 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.477 0.626 17995 4659 1 11 . 1 1 25 25 HIS C C 3 175.501 175.501 177.733 -2.232 17995 4660 1 11 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.684 -2.337 17995 4661 1 11 . 1 1 25 25 HIS CB C 3 30.627 30.627 30.079 0.548 17995 4662 1 11 . 1 1 25 25 HIS H H 3 8.216 8.216 8.241 -0.025 17995 4663 1 11 . 1 1 26 26 LEU N N 4 121.540 121.540 119.464 2.076 17995 4664 1 11 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.087 -0.394 17995 4665 1 11 . 1 1 26 26 LEU C C 4 177.649 177.649 178.411 -0.762 17995 4666 1 11 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.236 1.468 17995 4667 1 11 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.559 0.776 17995 4668 1 11 . 1 1 26 26 LEU H H 4 7.447 7.447 8.516 -1.069 17995 4669 1 11 . 1 1 27 27 GLU N N 5 118.441 118.441 120.151 -1.710 17995 4670 1 11 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.959 -0.068 17995 4671 1 11 . 1 1 27 27 GLU C C 5 178.162 178.162 178.252 -0.090 17995 4672 1 11 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.204 0.418 17995 4673 1 11 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.140 -0.063 17995 4674 1 11 . 1 1 27 27 GLU H H 5 8.561 8.561 7.791 0.770 17995 4675 1 11 . 1 1 28 28 ALA N N 6 122.005 122.005 121.045 0.960 17995 4676 1 11 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.226 -0.094 17995 4677 1 11 . 1 1 28 28 ALA C C 6 180.421 180.421 180.129 0.292 17995 4678 1 11 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.690 0.589 17995 4679 1 11 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.198 0.568 17995 4680 1 11 . 1 1 28 28 ALA H H 6 8.205 8.205 7.630 0.575 17995 4681 1 11 . 1 1 29 29 VAL N N 7 116.985 116.985 120.118 -3.133 17995 4682 1 11 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.682 -0.173 17995 4683 1 11 . 1 1 29 29 VAL C C 7 177.034 177.034 177.662 -0.628 17995 4684 1 11 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.715 -0.352 17995 4685 1 11 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.643 -0.204 17995 4686 1 11 . 1 1 29 29 VAL H H 7 8.392 8.392 7.999 0.393 17995 4687 1 11 . 1 1 30 30 ARG N N 8 121.674 121.674 119.108 2.566 17995 4688 1 11 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.016 -0.352 17995 4689 1 11 . 1 1 30 30 ARG C C 8 177.810 177.810 178.390 -0.580 17995 4690 1 11 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.232 1.293 17995 4691 1 11 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.356 1.310 17995 4692 1 11 . 1 1 30 30 ARG H H 8 8.784 8.784 8.416 0.368 17995 4693 1 11 . 1 1 31 31 ASN N N 9 118.102 118.102 118.637 -0.535 17995 4694 1 11 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.468 -0.184 17995 4695 1 11 . 1 1 31 31 ASN C C 9 177.890 177.890 177.280 0.610 17995 4696 1 11 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.633 -0.379 17995 4697 1 11 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.422 -0.834 17995 4698 1 11 . 1 1 31 31 ASN H H 9 8.144 8.144 7.905 0.239 17995 4699 1 11 . 1 1 32 32 ILE N N 10 123.614 123.614 120.309 3.305 17995 4700 1 11 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.495 0.297 17995 4701 1 11 . 1 1 32 32 ILE C C 10 177.810 177.810 177.742 0.068 17995 4702 1 11 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.157 0.101 17995 4703 1 11 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.965 0.769 17995 4704 1 11 . 1 1 32 32 ILE H H 10 8.137 8.137 7.741 0.396 17995 4705 1 11 . 1 1 33 33 LEU N N 11 119.797 119.797 119.807 -0.010 17995 4706 1 11 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.969 -0.183 17995 4707 1 11 . 1 1 33 33 LEU C C 11 179.039 179.039 179.475 -0.436 17995 4708 1 11 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.964 0.746 17995 4709 1 11 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.350 0.726 17995 4710 1 11 . 1 1 33 33 LEU H H 11 8.637 8.637 8.446 0.191 17995 4711 1 11 . 1 1 34 34 GLY N N 12 103.682 103.682 105.697 -2.015 17995 4712 1 11 . 1 1 34 34 GLY C C 12 175.242 175.242 175.612 -0.370 17995 4713 1 11 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.940 0.778 17995 4714 1 11 . 1 1 34 34 GLY H H 12 8.513 8.513 8.311 0.202 17995 4715 1 11 . 1 1 35 35 ASP N N 13 122.235 122.235 121.207 1.028 17995 4716 1 11 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.592 -0.007 17995 4717 1 11 . 1 1 35 35 ASP C C 13 179.013 179.013 177.836 1.177 17995 4718 1 11 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.344 0.572 17995 4719 1 11 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.299 -0.253 17995 4720 1 11 . 1 1 35 35 ASP H H 13 7.968 7.968 7.736 0.232 17995 4721 1 11 . 1 1 36 36 VAL N N 14 120.841 120.841 120.298 0.543 17995 4722 1 11 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.908 -0.231 17995 4723 1 11 . 1 1 36 36 VAL C C 14 177.797 177.797 177.777 0.020 17995 4724 1 11 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.563 0.441 17995 4725 1 11 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.312 -0.080 17995 4726 1 11 . 1 1 36 36 VAL H H 14 8.765 8.765 8.081 0.684 17995 4727 1 11 . 1 1 37 37 LEU N N 15 114.630 114.630 115.491 -0.861 17995 4728 1 11 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.321 -0.040 17995 4729 1 11 . 1 1 37 37 LEU C C 15 175.483 175.483 176.733 -1.250 17995 4730 1 11 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.828 -0.658 17995 4731 1 11 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.219 -0.525 17995 4732 1 11 . 1 1 37 37 LEU H H 15 7.942 7.942 7.958 -0.016 17995 4733 1 11 . 1 1 38 38 ASN N N 16 116.887 116.887 116.967 -0.080 17995 4734 1 11 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.608 -0.074 17995 4735 1 11 . 1 1 38 38 ASN C C 16 175.668 175.668 174.994 0.674 17995 4736 1 11 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.874 0.046 17995 4737 1 11 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.550 -0.691 17995 4738 1 11 . 1 1 38 38 ASN H H 16 7.561 7.561 7.825 -0.264 17995 4739 1 11 . 1 1 39 39 LEU N N 17 114.676 114.676 119.420 -4.744 17995 4740 1 11 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.345 -0.275 17995 4741 1 11 . 1 1 39 39 LEU C C 17 178.415 178.415 177.822 0.593 17995 4742 1 11 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.428 0.316 17995 4743 1 11 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.572 1.704 17995 4744 1 11 . 1 1 39 39 LEU H H 17 8.233 8.233 8.224 0.009 17995 4745 1 11 . 1 1 40 40 GLY N N 18 109.665 109.665 106.961 2.704 17995 4746 1 11 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.996 -0.691 17995 4747 1 11 . 1 1 40 40 GLY H H 18 8.678 8.678 8.135 0.543 17995 4748 1 11 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.312 -0.184 17995 4749 1 11 . 1 1 41 41 GLU C C 19 178.328 178.328 178.931 -0.603 17995 4750 1 11 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.422 0.842 17995 4751 1 11 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.418 -0.338 17995 4752 1 11 . 1 1 42 42 ARG N N 20 118.936 118.936 121.894 -2.958 17995 4753 1 11 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.191 -0.016 17995 4754 1 11 . 1 1 42 42 ARG C C 20 178.912 178.912 177.676 1.236 17995 4755 1 11 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.406 -0.169 17995 4756 1 11 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.330 -0.274 17995 4757 1 11 . 1 1 42 42 ARG H H 20 7.979 7.979 8.348 -0.368 17995 4758 1 11 . 1 1 43 43 LYS N N 21 119.087 119.087 115.576 3.511 17995 4759 1 11 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.054 -0.306 17995 4760 1 11 . 1 1 43 43 LYS C C 21 176.559 176.559 177.685 -1.126 17995 4761 1 11 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.701 0.397 17995 4762 1 11 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.336 0.645 17995 4763 1 11 . 1 1 43 43 LYS H H 21 7.719 7.719 8.293 -0.574 17995 4764 1 11 . 1 1 44 44 HIS N N 22 115.571 115.571 116.437 -0.866 17995 4765 1 11 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.486 -0.058 17995 4766 1 11 . 1 1 44 44 HIS C C 22 176.288 176.288 175.693 0.595 17995 4767 1 11 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.302 -0.518 17995 4768 1 11 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.242 0.228 17995 4769 1 11 . 1 1 44 44 HIS H H 22 7.124 7.124 7.766 -0.642 17995 4770 1 11 . 1 1 45 45 THR N N 23 107.890 107.890 113.061 -5.171 17995 4771 1 11 . 1 1 45 45 THR HA H 23 4.355 4.355 4.287 0.068 17995 4772 1 11 . 1 1 45 45 THR C C 23 174.650 174.650 174.748 -0.098 17995 4773 1 11 . 1 1 45 45 THR CA C 23 61.627 61.627 62.350 -0.723 17995 4774 1 11 . 1 1 45 45 THR CB C 23 69.475 69.475 69.766 -0.292 17995 4775 1 11 . 1 1 45 45 THR H H 23 7.441 7.441 7.502 -0.061 17995 4776 1 11 . 1 1 46 46 LEU N N 24 121.435 121.435 120.412 1.023 17995 4777 1 11 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.784 -0.161 17995 4778 1 11 . 1 1 46 46 LEU C C 24 176.537 176.537 175.703 0.834 17995 4779 1 11 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.868 0.722 17995 4780 1 11 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.780 0.337 17995 4781 1 11 . 1 1 46 46 LEU H H 24 7.059 7.059 7.378 -0.319 17995 4782 1 11 . 1 1 47 47 THR N N 25 116.104 116.104 114.671 1.433 17995 4783 1 11 . 1 1 47 47 THR HA H 25 4.605 4.605 4.514 0.091 17995 4784 1 11 . 1 1 47 47 THR C C 25 175.526 175.526 175.438 0.088 17995 4785 1 11 . 1 1 47 47 THR CA C 25 59.878 59.878 59.886 -0.008 17995 4786 1 11 . 1 1 47 47 THR CB C 25 71.752 71.752 71.293 0.459 17995 4787 1 11 . 1 1 47 47 THR H H 25 9.432 9.432 7.887 1.545 17995 4788 1 11 . 1 1 48 48 ALA N N 26 122.234 122.234 120.936 1.298 17995 4789 1 11 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.149 -0.340 17995 4790 1 11 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.009 0.584 17995 4791 1 11 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.400 0.254 17995 4792 1 11 . 1 1 48 48 ALA H H 26 9.142 9.142 8.586 0.556 17995 4793 1 11 . 1 1 49 49 SER HA H 27 4.448 4.448 4.309 0.139 17995 4794 1 11 . 1 1 49 49 SER C C 27 174.637 174.637 175.040 -0.403 17995 4795 1 11 . 1 1 49 49 SER CA C 27 58.348 58.348 58.928 -0.580 17995 4796 1 11 . 1 1 49 49 SER CB C 27 63.704 63.704 63.189 0.515 17995 4797 1 11 . 1 1 50 50 SER N N 28 122.032 122.032 120.319 1.713 17995 4798 1 11 . 1 1 50 50 SER HA H 28 4.269 4.269 4.381 -0.112 17995 4799 1 11 . 1 1 50 50 SER C C 28 172.904 172.904 173.973 -1.069 17995 4800 1 11 . 1 1 50 50 SER CA C 28 60.846 60.846 58.781 2.065 17995 4801 1 11 . 1 1 50 50 SER CB C 28 63.063 63.063 63.746 -0.683 17995 4802 1 11 . 1 1 50 50 SER H H 28 8.157 8.157 7.633 0.524 17995 4803 1 11 . 1 1 51 51 VAL N N 29 127.079 127.079 125.191 1.888 17995 4804 1 11 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.116 0.226 17995 4805 1 11 . 1 1 51 51 VAL C C 29 176.612 176.612 175.630 0.982 17995 4806 1 11 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.682 -1.234 17995 4807 1 11 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.260 -0.035 17995 4808 1 11 . 1 1 51 51 VAL H H 29 8.505 8.505 8.548 -0.043 17995 4809 1 11 . 1 1 52 52 LEU N N 30 126.014 126.014 122.561 3.453 17995 4810 1 11 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.625 0.170 17995 4811 1 11 . 1 1 52 52 LEU C C 30 176.569 176.569 177.476 -0.907 17995 4812 1 11 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.275 -0.743 17995 4813 1 11 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.435 -2.432 17995 4814 1 11 . 1 1 52 52 LEU H H 30 7.954 7.954 8.272 -0.318 17995 4815 1 11 . 1 1 53 53 LEU N N 31 122.601 122.601 119.613 2.988 17995 4816 1 11 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.941 0.145 17995 4817 1 11 . 1 1 53 53 LEU C C 31 177.683 177.683 177.943 -0.260 17995 4818 1 11 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.534 0.840 17995 4819 1 11 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.137 0.682 17995 4820 1 11 . 1 1 53 53 LEU H H 31 7.777 7.777 7.558 0.219 17995 4821 1 11 . 1 1 54 54 GLY N N 32 114.941 114.941 113.864 1.077 17995 4822 1 11 . 1 1 54 54 GLY C C 32 173.612 173.612 174.768 -1.156 17995 4823 1 11 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.628 -0.070 17995 4824 1 11 . 1 1 54 54 GLY H H 32 9.121 9.121 8.943 0.178 17995 4825 1 11 . 1 1 55 55 ASN N N 33 117.901 117.901 121.334 -3.433 17995 4826 1 11 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.761 0.169 17995 4827 1 11 . 1 1 55 55 ASN C C 33 174.458 174.458 175.985 -1.527 17995 4828 1 11 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.256 -0.437 17995 4829 1 11 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.487 2.060 17995 4830 1 11 . 1 1 55 55 ASN H H 33 7.789 7.789 7.819 -0.030 17995 4831 1 11 . 1 1 56 56 ILE N N 34 120.163 120.163 121.844 -1.681 17995 4832 1 11 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.490 0.047 17995 4833 1 11 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.541 0.459 17995 4834 1 11 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.593 1.500 17995 4835 1 11 . 1 1 56 56 ILE H H 34 7.703 7.703 8.006 -0.303 17995 4836 1 11 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.510 -0.337 17995 4837 1 11 . 1 1 57 57 PRO C C 35 177.969 177.969 176.570 1.399 17995 4838 1 11 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.051 1.225 17995 4839 1 11 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.031 -0.097 17995 4840 1 11 . 1 1 58 58 GLU N N 36 116.701 116.701 117.186 -0.485 17995 4841 1 11 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.335 -0.363 17995 4842 1 11 . 1 1 58 58 GLU C C 36 176.612 176.612 175.933 0.679 17995 4843 1 11 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.798 3.549 17995 4844 1 11 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.359 0.473 17995 4845 1 11 . 1 1 58 58 GLU H H 36 9.581 9.581 8.642 0.939 17995 4846 1 11 . 1 1 59 59 LEU N N 37 121.189 121.189 123.829 -2.640 17995 4847 1 11 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.327 -0.015 17995 4848 1 11 . 1 1 59 59 LEU C C 37 173.353 173.353 175.437 -2.084 17995 4849 1 11 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.380 -1.102 17995 4850 1 11 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.576 -0.577 17995 4851 1 11 . 1 1 59 59 LEU H H 37 7.560 7.560 7.286 0.274 17995 4852 1 11 . 1 1 60 60 ASP N N 38 126.468 126.468 124.965 1.503 17995 4853 1 11 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.679 0.036 17995 4854 1 11 . 1 1 60 60 ASP C C 38 175.828 175.828 177.190 -1.362 17995 4855 1 11 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.393 -1.473 17995 4856 1 11 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.874 -2.318 17995 4857 1 11 . 1 1 60 60 ASP H H 38 7.527 7.527 7.667 -0.140 17995 4858 1 11 . 1 1 61 61 SER N N 39 113.128 113.128 117.488 -4.360 17995 4859 1 11 . 1 1 61 61 SER HA H 39 4.019 4.019 4.148 -0.129 17995 4860 1 11 . 1 1 61 61 SER C C 39 175.854 175.854 176.572 -0.718 17995 4861 1 11 . 1 1 61 61 SER CA C 39 61.276 61.276 61.379 -0.103 17995 4862 1 11 . 1 1 61 61 SER CB C 39 65.520 65.520 62.953 2.567 17995 4863 1 11 . 1 1 61 61 SER H H 39 8.623 8.623 8.412 0.211 17995 4864 1 11 . 1 1 62 62 MET N N 40 121.706 121.706 118.656 3.050 17995 4865 1 11 . 1 1 62 62 MET HA H 40 4.303 4.303 4.245 0.058 17995 4866 1 11 . 1 1 62 62 MET C C 40 177.755 177.755 178.253 -0.498 17995 4867 1 11 . 1 1 62 62 MET CA C 40 57.714 57.714 56.562 1.152 17995 4868 1 11 . 1 1 62 62 MET CB C 40 32.386 32.386 31.365 1.021 17995 4869 1 11 . 1 1 62 62 MET H H 40 7.802 7.802 8.105 -0.303 17995 4870 1 11 . 1 1 63 63 ALA N N 41 124.277 124.277 121.523 2.754 17995 4871 1 11 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.159 0.012 17995 4872 1 11 . 1 1 63 63 ALA C C 41 179.893 179.893 179.425 0.468 17995 4873 1 11 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.670 0.431 17995 4874 1 11 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.017 1.639 17995 4875 1 11 . 1 1 63 63 ALA H H 41 8.295 8.295 7.897 0.398 17995 4876 1 11 . 1 1 64 64 VAL N N 42 118.186 118.186 116.056 2.130 17995 4877 1 11 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.559 -0.566 17995 4878 1 11 . 1 1 64 64 VAL C C 42 177.327 177.327 177.433 -0.106 17995 4879 1 11 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.698 1.614 17995 4880 1 11 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.326 -0.134 17995 4881 1 11 . 1 1 64 64 VAL H H 42 8.019 8.019 7.642 0.377 17995 4882 1 11 . 1 1 65 65 VAL N N 43 118.361 118.361 120.413 -2.052 17995 4883 1 11 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.565 -0.001 17995 4884 1 11 . 1 1 65 65 VAL C C 43 178.520 178.520 178.483 0.037 17995 4885 1 11 . 1 1 65 65 VAL CA C 43 66.557 66.557 65.627 0.930 17995 4886 1 11 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.426 1.074 17995 4887 1 11 . 1 1 65 65 VAL H H 43 6.942 6.942 7.456 -0.514 17995 4888 1 11 . 1 1 66 66 ASN N N 44 119.476 119.476 119.062 0.414 17995 4889 1 11 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.477 0.085 17995 4890 1 11 . 1 1 66 66 ASN C C 44 178.760 178.760 178.148 0.612 17995 4891 1 11 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.324 -0.488 17995 4892 1 11 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.213 -0.406 17995 4893 1 11 . 1 1 66 66 ASN H H 44 7.789 7.789 7.900 -0.111 17995 4894 1 11 . 1 1 67 67 VAL N N 45 124.029 124.029 116.410 7.619 17995 4895 1 11 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.909 -0.291 17995 4896 1 11 . 1 1 67 67 VAL C C 45 177.100 177.100 177.924 -0.824 17995 4897 1 11 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.887 1.479 17995 4898 1 11 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.603 -0.143 17995 4899 1 11 . 1 1 67 67 VAL H H 45 9.055 9.055 7.633 1.422 17995 4900 1 11 . 1 1 68 68 ILE N N 46 121.006 121.006 122.120 -1.114 17995 4901 1 11 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.698 0.090 17995 4902 1 11 . 1 1 68 68 ILE C C 46 177.871 177.871 178.093 -0.222 17995 4903 1 11 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.714 -0.452 17995 4904 1 11 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.594 -1.427 17995 4905 1 11 . 1 1 68 68 ILE H H 46 8.509 8.509 7.851 0.658 17995 4906 1 11 . 1 1 69 69 THR N N 47 116.096 116.096 116.558 -0.462 17995 4907 1 11 . 1 1 69 69 THR HA H 47 4.391 4.391 3.898 0.493 17995 4908 1 11 . 1 1 69 69 THR C C 47 176.365 176.365 176.285 0.080 17995 4909 1 11 . 1 1 69 69 THR CA C 47 66.256 66.256 67.150 -0.894 17995 4910 1 11 . 1 1 69 69 THR CB C 47 69.098 69.098 68.700 0.398 17995 4911 1 11 . 1 1 69 69 THR H H 47 8.512 8.512 7.874 0.638 17995 4912 1 11 . 1 1 70 70 ALA N N 48 123.948 123.948 124.472 -0.524 17995 4913 1 11 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.242 0.061 17995 4914 1 11 . 1 1 70 70 ALA C C 48 181.452 181.452 179.568 1.884 17995 4915 1 11 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.338 -0.155 17995 4916 1 11 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.310 1.112 17995 4917 1 11 . 1 1 70 70 ALA H H 48 7.802 7.802 8.008 -0.206 17995 4918 1 11 . 1 1 71 71 LEU N N 49 121.199 121.199 119.446 1.753 17995 4919 1 11 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.043 0.180 17995 4920 1 11 . 1 1 71 71 LEU C C 49 178.192 178.192 179.456 -1.264 17995 4921 1 11 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.181 0.380 17995 4922 1 11 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.854 1.597 17995 4923 1 11 . 1 1 71 71 LEU H H 49 8.802 8.802 8.193 0.609 17995 4924 1 11 . 1 1 72 72 GLU N N 50 119.782 119.782 118.652 1.130 17995 4925 1 11 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.129 -0.639 17995 4926 1 11 . 1 1 72 72 GLU C C 50 180.303 180.303 179.384 0.919 17995 4927 1 11 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.211 0.641 17995 4928 1 11 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.036 2.072 17995 4929 1 11 . 1 1 72 72 GLU H H 50 8.762 8.762 8.043 0.719 17995 4930 1 11 . 1 1 73 73 GLU N N 51 116.902 116.902 118.781 -1.879 17995 4931 1 11 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.076 -0.024 17995 4932 1 11 . 1 1 73 73 GLU C C 51 178.334 178.334 179.261 -0.927 17995 4933 1 11 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.601 0.017 17995 4934 1 11 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.214 0.868 17995 4935 1 11 . 1 1 73 73 GLU H H 51 7.953 7.953 7.740 0.213 17995 4936 1 11 . 1 1 74 74 TYR N N 52 119.999 119.999 116.986 3.013 17995 4937 1 11 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.405 -0.523 17995 4938 1 11 . 1 1 74 74 TYR C C 52 177.384 177.384 178.304 -0.920 17995 4939 1 11 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.993 0.607 17995 4940 1 11 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.839 0.806 17995 4941 1 11 . 1 1 74 74 TYR H H 52 8.078 8.078 8.039 0.039 17995 4942 1 11 . 1 1 75 75 PHE N N 53 113.650 113.650 115.456 -1.806 17995 4943 1 11 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.569 -0.383 17995 4944 1 11 . 1 1 75 75 PHE C C 53 174.485 174.485 175.546 -1.061 17995 4945 1 11 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.824 0.420 17995 4946 1 11 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.194 0.846 17995 4947 1 11 . 1 1 75 75 PHE H H 53 8.244 8.244 8.246 -0.002 17995 4948 1 11 . 1 1 76 76 ASP N N 54 119.712 119.712 117.758 1.954 17995 4949 1 11 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.543 -0.163 17995 4950 1 11 . 1 1 76 76 ASP C C 54 174.118 174.118 175.385 -1.267 17995 4951 1 11 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.703 -0.840 17995 4952 1 11 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.145 0.011 17995 4953 1 11 . 1 1 76 76 ASP H H 54 7.596 7.596 8.091 -0.495 17995 4954 1 11 . 1 1 77 77 PHE N N 55 113.804 113.804 116.081 -2.277 17995 4955 1 11 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.033 0.042 17995 4956 1 11 . 1 1 77 77 PHE C C 55 174.384 174.384 173.513 0.871 17995 4957 1 11 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.579 -1.143 17995 4958 1 11 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.633 -0.003 17995 4959 1 11 . 1 1 77 77 PHE H H 55 7.725 7.725 8.142 -0.417 17995 4960 1 11 . 1 1 78 78 SER N N 56 114.319 114.319 113.881 0.438 17995 4961 1 11 . 1 1 78 78 SER HA H 56 5.149 5.149 4.763 0.386 17995 4962 1 11 . 1 1 78 78 SER C C 56 174.100 174.100 172.864 1.236 17995 4963 1 11 . 1 1 78 78 SER CA C 56 56.800 56.800 56.455 0.345 17995 4964 1 11 . 1 1 78 78 SER CB C 56 65.011 65.011 64.316 0.695 17995 4965 1 11 . 1 1 78 78 SER H H 56 8.727 8.727 8.221 0.506 17995 4966 1 11 . 1 1 79 79 VAL N N 57 128.316 128.316 127.238 1.078 17995 4967 1 11 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.069 0.175 17995 4968 1 11 . 1 1 79 79 VAL C C 57 175.637 175.637 175.383 0.254 17995 4969 1 11 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.032 -0.279 17995 4970 1 11 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.045 0.827 17995 4971 1 11 . 1 1 79 79 VAL H H 57 10.222 10.222 8.102 2.120 17995 4972 1 11 . 1 1 80 80 ASP N N 58 130.058 130.058 127.157 2.901 17995 4973 1 11 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.533 0.313 17995 4974 1 11 . 1 1 80 80 ASP C C 58 177.205 177.205 176.790 0.415 17995 4975 1 11 . 1 1 80 80 ASP CA C 58 53.476 53.476 53.990 -0.514 17995 4976 1 11 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.266 -0.601 17995 4977 1 11 . 1 1 80 80 ASP H H 58 9.396 9.396 8.692 0.704 17995 4978 1 11 . 1 1 81 81 ASP N N 59 122.564 122.564 123.317 -0.753 17995 4979 1 11 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.360 -0.080 17995 4980 1 11 . 1 1 81 81 ASP C C 59 177.291 177.291 176.775 0.516 17995 4981 1 11 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.651 0.809 17995 4982 1 11 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.089 -0.359 17995 4983 1 11 . 1 1 81 81 ASP H H 59 8.696 8.696 8.758 -0.062 17995 4984 1 11 . 1 1 82 82 ASP N N 60 115.817 115.817 118.094 -2.277 17995 4985 1 11 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.496 0.063 17995 4986 1 11 . 1 1 82 82 ASP C C 60 176.939 176.939 177.673 -0.734 17995 4987 1 11 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.289 -1.428 17995 4988 1 11 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.243 -0.828 17995 4989 1 11 . 1 1 82 82 ASP H H 60 8.460 8.460 7.983 0.477 17995 4990 1 11 . 1 1 83 83 GLU N N 61 118.478 118.478 118.135 0.343 17995 4991 1 11 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.445 -0.144 17995 4992 1 11 . 1 1 83 83 GLU C C 61 175.841 175.841 176.974 -1.133 17995 4993 1 11 . 1 1 83 83 GLU CA C 61 57.304 57.304 57.150 0.154 17995 4994 1 11 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.454 1.036 17995 4995 1 11 . 1 1 83 83 GLU H H 61 7.903 7.903 7.711 0.192 17995 4996 1 11 . 1 1 84 84 ILE N N 62 117.759 117.759 122.177 -4.418 17995 4997 1 11 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.849 0.316 17995 4998 1 11 . 1 1 84 84 ILE C C 62 174.069 174.069 174.664 -0.595 17995 4999 1 11 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.424 -2.930 17995 5000 1 11 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.915 2.220 17995 5001 1 11 . 1 1 84 84 ILE H H 62 7.396 7.396 7.727 -0.331 17995 5002 1 11 . 1 1 85 85 SER N N 63 119.980 119.980 121.343 -1.363 17995 5003 1 11 . 1 1 85 85 SER HA H 63 4.789 4.789 4.684 0.105 17995 5004 1 11 . 1 1 85 85 SER CA C 63 56.772 56.772 56.295 0.477 17995 5005 1 11 . 1 1 85 85 SER CB C 63 66.916 66.916 65.898 1.018 17995 5006 1 11 . 1 1 85 85 SER H H 63 8.384 8.384 7.908 0.476 17995 5007 1 11 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.257 -0.230 17995 5008 1 11 . 1 1 86 86 ALA C C 64 180.211 180.211 179.337 0.874 17995 5009 1 11 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.837 0.664 17995 5010 1 11 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.762 -0.752 17995 5011 1 11 . 1 1 87 87 GLN N N 65 116.123 116.123 114.024 2.099 17995 5012 1 11 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.346 -0.281 17995 5013 1 11 . 1 1 87 87 GLN C C 65 178.564 178.564 177.485 1.079 17995 5014 1 11 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.790 0.949 17995 5015 1 11 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.127 0.316 17995 5016 1 11 . 1 1 87 87 GLN H H 65 7.990 7.990 7.741 0.249 17995 5017 1 11 . 1 1 88 88 THR N N 66 119.153 119.153 114.335 4.818 17995 5018 1 11 . 1 1 88 88 THR HA H 66 3.631 3.631 3.829 -0.198 17995 5019 1 11 . 1 1 88 88 THR C C 66 174.748 174.748 174.405 0.343 17995 5020 1 11 . 1 1 88 88 THR CA C 66 66.591 66.591 64.844 1.747 17995 5021 1 11 . 1 1 88 88 THR CB C 66 68.702 68.702 68.964 -0.262 17995 5022 1 11 . 1 1 88 88 THR H H 66 7.738 7.738 7.468 0.270 17995 5023 1 11 . 1 1 89 89 PHE N N 67 115.088 115.088 117.044 -1.956 17995 5024 1 11 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.669 -0.432 17995 5025 1 11 . 1 1 89 89 PHE C C 67 173.600 173.600 176.904 -3.304 17995 5026 1 11 . 1 1 89 89 PHE CA C 67 57.522 57.522 58.014 -0.492 17995 5027 1 11 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.772 0.934 17995 5028 1 11 . 1 1 89 89 PHE H H 67 7.180 7.180 7.483 -0.303 17995 5029 1 11 . 1 1 90 90 GLU N N 68 122.222 122.222 119.083 3.139 17995 5030 1 11 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.114 0.053 17995 5031 1 11 . 1 1 90 90 GLU C C 68 178.581 178.581 176.510 2.071 17995 5032 1 11 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.340 1.386 17995 5033 1 11 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.951 0.797 17995 5034 1 11 . 1 1 90 90 GLU H H 68 7.421 7.421 7.971 -0.550 17995 5035 1 11 . 1 1 91 91 THR N N 69 106.383 106.383 110.920 -4.537 17995 5036 1 11 . 1 1 91 91 THR HA H 69 5.477 5.477 4.773 0.704 17995 5037 1 11 . 1 1 91 91 THR C C 69 174.775 174.775 174.146 0.629 17995 5038 1 11 . 1 1 91 91 THR CA C 69 58.798 58.798 60.342 -1.544 17995 5039 1 11 . 1 1 91 91 THR CB C 69 74.841 74.841 71.744 3.097 17995 5040 1 11 . 1 1 91 91 THR H H 69 8.534 8.534 7.327 1.207 17995 5041 1 11 . 1 1 92 92 LEU N N 70 120.326 120.326 125.615 -5.289 17995 5042 1 11 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.069 0.074 17995 5043 1 11 . 1 1 92 92 LEU C C 70 178.174 178.174 177.673 0.501 17995 5044 1 11 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.068 1.198 17995 5045 1 11 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.364 -1.494 17995 5046 1 11 . 1 1 92 92 LEU H H 70 7.991 7.991 8.706 -0.715 17995 5047 1 11 . 1 1 93 93 GLY N N 71 106.588 106.588 105.631 0.957 17995 5048 1 11 . 1 1 93 93 GLY C C 71 175.300 175.300 176.058 -0.758 17995 5049 1 11 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.560 -0.223 17995 5050 1 11 . 1 1 93 93 GLY H H 71 9.019 9.019 8.396 0.623 17995 5051 1 11 . 1 1 94 94 SER N N 72 120.200 120.200 118.542 1.658 17995 5052 1 11 . 1 1 94 94 SER HA H 72 4.090 4.090 4.349 -0.259 17995 5053 1 11 . 1 1 94 94 SER C C 72 177.631 177.631 176.756 0.875 17995 5054 1 11 . 1 1 94 94 SER CA C 72 62.329 62.329 62.007 0.322 17995 5055 1 11 . 1 1 94 94 SER H H 72 8.709 8.709 7.515 1.194 17995 5056 1 11 . 1 1 95 95 LEU N N 73 129.169 129.169 121.487 7.682 17995 5057 1 11 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.844 0.396 17995 5058 1 11 . 1 1 95 95 LEU C C 73 176.439 176.439 178.849 -2.410 17995 5059 1 11 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.264 0.538 17995 5060 1 11 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.233 1.626 17995 5061 1 11 . 1 1 95 95 LEU H H 73 7.800 7.800 7.456 0.344 17995 5062 1 11 . 1 1 96 96 ALA N N 74 121.721 121.721 122.434 -0.713 17995 5063 1 11 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.958 0.031 17995 5064 1 11 . 1 1 96 96 ALA C C 74 180.456 180.456 179.905 0.551 17995 5065 1 11 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.299 0.403 17995 5066 1 11 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.359 -0.643 17995 5067 1 11 . 1 1 96 96 ALA H H 74 8.612 8.612 8.003 0.609 17995 5068 1 11 . 1 1 97 97 LEU N N 75 122.095 122.095 118.656 3.439 17995 5069 1 11 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.946 0.111 17995 5070 1 11 . 1 1 97 97 LEU C C 75 178.805 178.805 179.235 -0.430 17995 5071 1 11 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.693 0.076 17995 5072 1 11 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.495 1.327 17995 5073 1 11 . 1 1 97 97 LEU H H 75 8.777 8.777 7.917 0.860 17995 5074 1 11 . 1 1 98 98 PHE N N 76 122.741 122.741 117.965 4.776 17995 5075 1 11 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.836 0.426 17995 5076 1 11 . 1 1 98 98 PHE C C 76 176.878 176.878 178.475 -1.597 17995 5077 1 11 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.292 -1.060 17995 5078 1 11 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.637 -0.088 17995 5079 1 11 . 1 1 98 98 PHE H H 76 7.889 7.889 8.017 -0.128 17995 5080 1 11 . 1 1 99 99 VAL N N 77 119.641 119.641 115.390 4.251 17995 5081 1 11 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.592 -0.814 17995 5082 1 11 . 1 1 99 99 VAL C C 77 176.414 176.414 177.446 -1.032 17995 5083 1 11 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.838 1.131 17995 5084 1 11 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.261 -0.075 17995 5085 1 11 . 1 1 99 99 VAL H H 77 7.599 7.599 8.064 -0.465 17995 5086 1 11 . 1 1 100 100 GLU N N 78 118.850 118.850 121.926 -3.076 17995 5087 1 11 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.139 -0.366 17995 5088 1 11 . 1 1 100 100 GLU C C 78 179.007 179.007 178.986 0.021 17995 5089 1 11 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.375 0.165 17995 5090 1 11 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.002 0.776 17995 5091 1 11 . 1 1 100 100 GLU H H 78 7.740 7.740 8.170 -0.430 17995 5092 1 11 . 1 1 101 101 HIS N N 79 120.328 120.328 117.520 2.808 17995 5093 1 11 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.281 -0.080 17995 5094 1 11 . 1 1 101 101 HIS C C 79 178.242 178.242 177.925 0.317 17995 5095 1 11 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.447 0.791 17995 5096 1 11 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.956 -0.017 17995 5097 1 11 . 1 1 101 101 HIS H H 79 8.354 8.354 7.724 0.630 17995 5098 1 11 . 1 1 102 102 LYS N N 80 121.044 121.044 118.650 2.394 17995 5099 1 11 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.269 -0.702 17995 5100 1 11 . 1 1 102 102 LYS C C 80 179.199 179.199 179.055 0.144 17995 5101 1 11 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.491 -1.504 17995 5102 1 11 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.203 -2.027 17995 5103 1 11 . 1 1 102 102 LYS H H 80 7.908 7.908 7.798 0.110 17995 5104 1 11 . 1 1 103 103 LEU N N 81 118.698 118.698 119.042 -0.344 17995 5105 1 11 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.298 -0.140 17995 5106 1 11 . 1 1 103 103 LEU C C 81 178.593 178.593 178.392 0.201 17995 5107 1 11 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.965 0.431 17995 5108 1 11 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.574 1.735 17995 5109 1 11 . 1 1 103 103 LEU H H 81 7.784 7.784 7.961 -0.177 17995 5110 1 11 . 1 1 104 104 SER N N 82 114.826 114.826 113.399 1.427 17995 5111 1 11 . 1 1 104 104 SER HA H 82 4.358 4.358 4.423 -0.065 17995 5112 1 11 . 1 1 104 104 SER C C 82 174.810 174.810 174.400 0.410 17995 5113 1 11 . 1 1 104 104 SER CA C 82 59.567 59.567 59.912 -0.345 17995 5114 1 11 . 1 1 104 104 SER CB C 82 63.859 63.859 63.927 -0.068 17995 5115 1 11 . 1 1 104 104 SER H H 82 7.738 7.738 7.760 -0.022 17995 5116 1 12 . 1 1 24 24 GLN N N 2 121.730 121.730 120.467 1.263 17995 5117 1 12 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.381 -0.419 17995 5118 1 12 . 1 1 24 24 GLN C C 2 177.291 177.291 177.948 -0.657 17995 5119 1 12 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.646 0.745 17995 5120 1 12 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.355 -0.645 17995 5121 1 12 . 1 1 24 24 GLN H H 2 8.511 8.511 9.200 -0.689 17995 5122 1 12 . 1 1 25 25 HIS N N 3 116.878 116.878 119.430 -2.552 17995 5123 1 12 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.643 0.460 17995 5124 1 12 . 1 1 25 25 HIS C C 3 175.501 175.501 177.441 -1.940 17995 5125 1 12 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.125 -1.778 17995 5126 1 12 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.952 0.675 17995 5127 1 12 . 1 1 25 25 HIS H H 3 8.216 8.216 8.498 -0.282 17995 5128 1 12 . 1 1 26 26 LEU N N 4 121.540 121.540 119.151 2.389 17995 5129 1 12 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.077 -0.384 17995 5130 1 12 . 1 1 26 26 LEU C C 4 177.649 177.649 178.343 -0.694 17995 5131 1 12 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.076 1.627 17995 5132 1 12 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.185 1.150 17995 5133 1 12 . 1 1 26 26 LEU H H 4 7.447 7.447 8.025 -0.578 17995 5134 1 12 . 1 1 27 27 GLU N N 5 118.441 118.441 120.116 -1.675 17995 5135 1 12 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.910 -0.019 17995 5136 1 12 . 1 1 27 27 GLU C C 5 178.162 178.162 178.214 -0.052 17995 5137 1 12 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.221 0.401 17995 5138 1 12 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.123 -0.046 17995 5139 1 12 . 1 1 27 27 GLU H H 5 8.561 8.561 7.808 0.753 17995 5140 1 12 . 1 1 28 28 ALA N N 6 122.005 122.005 121.736 0.269 17995 5141 1 12 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.164 -0.032 17995 5142 1 12 . 1 1 28 28 ALA C C 6 180.421 180.421 180.038 0.383 17995 5143 1 12 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.894 0.385 17995 5144 1 12 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.078 0.688 17995 5145 1 12 . 1 1 28 28 ALA H H 6 8.205 8.205 7.595 0.610 17995 5146 1 12 . 1 1 29 29 VAL N N 7 116.985 116.985 119.398 -2.413 17995 5147 1 12 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.745 -0.236 17995 5148 1 12 . 1 1 29 29 VAL C C 7 177.034 177.034 177.877 -0.843 17995 5149 1 12 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.864 0.499 17995 5150 1 12 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.055 0.384 17995 5151 1 12 . 1 1 29 29 VAL H H 7 8.392 8.392 8.209 0.183 17995 5152 1 12 . 1 1 30 30 ARG N N 8 121.674 121.674 119.146 2.528 17995 5153 1 12 . 1 1 30 30 ARG HA H 8 3.664 3.664 3.988 -0.324 17995 5154 1 12 . 1 1 30 30 ARG C C 8 177.810 177.810 178.320 -0.510 17995 5155 1 12 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.359 1.166 17995 5156 1 12 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.376 1.290 17995 5157 1 12 . 1 1 30 30 ARG H H 8 8.784 8.784 8.205 0.579 17995 5158 1 12 . 1 1 31 31 ASN N N 9 118.102 118.102 118.771 -0.669 17995 5159 1 12 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.556 -0.272 17995 5160 1 12 . 1 1 31 31 ASN C C 9 177.890 177.890 177.795 0.095 17995 5161 1 12 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.929 0.325 17995 5162 1 12 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.223 -0.635 17995 5163 1 12 . 1 1 31 31 ASN H H 9 8.144 8.144 7.819 0.325 17995 5164 1 12 . 1 1 32 32 ILE N N 10 123.614 123.614 121.065 2.549 17995 5165 1 12 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.274 0.518 17995 5166 1 12 . 1 1 32 32 ILE C C 10 177.810 177.810 177.555 0.255 17995 5167 1 12 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.148 0.110 17995 5168 1 12 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.732 1.002 17995 5169 1 12 . 1 1 32 32 ILE H H 10 8.137 8.137 7.692 0.445 17995 5170 1 12 . 1 1 33 33 LEU N N 11 119.797 119.797 119.494 0.303 17995 5171 1 12 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.929 -0.143 17995 5172 1 12 . 1 1 33 33 LEU C C 11 179.039 179.039 179.404 -0.365 17995 5173 1 12 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.135 0.575 17995 5174 1 12 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.392 0.684 17995 5175 1 12 . 1 1 33 33 LEU H H 11 8.637 8.637 8.254 0.383 17995 5176 1 12 . 1 1 34 34 GLY N N 12 103.682 103.682 104.978 -1.296 17995 5177 1 12 . 1 1 34 34 GLY C C 12 175.242 175.242 175.395 -0.153 17995 5178 1 12 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.694 1.024 17995 5179 1 12 . 1 1 34 34 GLY H H 12 8.513 8.513 8.304 0.209 17995 5180 1 12 . 1 1 35 35 ASP N N 13 122.235 122.235 121.950 0.285 17995 5181 1 12 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.603 -0.018 17995 5182 1 12 . 1 1 35 35 ASP C C 13 179.013 179.013 178.145 0.868 17995 5183 1 12 . 1 1 35 35 ASP CA C 13 56.916 56.916 57.003 -0.087 17995 5184 1 12 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.289 -0.243 17995 5185 1 12 . 1 1 35 35 ASP H H 13 7.968 7.968 7.682 0.286 17995 5186 1 12 . 1 1 36 36 VAL N N 14 120.841 120.841 120.420 0.421 17995 5187 1 12 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.887 -0.210 17995 5188 1 12 . 1 1 36 36 VAL C C 14 177.797 177.797 177.898 -0.101 17995 5189 1 12 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.462 0.542 17995 5190 1 12 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.077 0.155 17995 5191 1 12 . 1 1 36 36 VAL H H 14 8.765 8.765 7.847 0.918 17995 5192 1 12 . 1 1 37 37 LEU N N 15 114.630 114.630 116.053 -1.423 17995 5193 1 12 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.358 -0.077 17995 5194 1 12 . 1 1 37 37 LEU C C 15 175.483 175.483 176.216 -0.733 17995 5195 1 12 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.174 -0.004 17995 5196 1 12 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.645 0.049 17995 5197 1 12 . 1 1 37 37 LEU H H 15 7.942 7.942 8.181 -0.239 17995 5198 1 12 . 1 1 38 38 ASN N N 16 116.887 116.887 115.455 1.432 17995 5199 1 12 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.463 0.071 17995 5200 1 12 . 1 1 38 38 ASN C C 16 175.668 175.668 175.427 0.241 17995 5201 1 12 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.901 0.019 17995 5202 1 12 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.640 -0.782 17995 5203 1 12 . 1 1 38 38 ASN H H 16 7.561 7.561 7.665 -0.104 17995 5204 1 12 . 1 1 39 39 LEU N N 17 114.676 114.676 119.046 -4.370 17995 5205 1 12 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.114 -0.044 17995 5206 1 12 . 1 1 39 39 LEU C C 17 178.415 178.415 178.028 0.387 17995 5207 1 12 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.036 -0.292 17995 5208 1 12 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.000 1.276 17995 5209 1 12 . 1 1 39 39 LEU H H 17 8.233 8.233 8.029 0.204 17995 5210 1 12 . 1 1 40 40 GLY N N 18 109.665 109.665 107.262 2.403 17995 5211 1 12 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.564 -0.259 17995 5212 1 12 . 1 1 40 40 GLY H H 18 8.678 8.678 7.785 0.893 17995 5213 1 12 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.319 -0.191 17995 5214 1 12 . 1 1 41 41 GLU C C 19 178.328 178.328 178.184 0.144 17995 5215 1 12 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.696 1.568 17995 5216 1 12 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.047 -0.967 17995 5217 1 12 . 1 1 42 42 ARG N N 20 118.936 118.936 121.176 -2.240 17995 5218 1 12 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.078 0.097 17995 5219 1 12 . 1 1 42 42 ARG C C 20 178.912 178.912 176.780 2.132 17995 5220 1 12 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.849 -0.612 17995 5221 1 12 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.208 -0.152 17995 5222 1 12 . 1 1 42 42 ARG H H 20 7.979 7.979 7.736 0.243 17995 5223 1 12 . 1 1 43 43 LYS N N 21 119.087 119.087 114.070 5.017 17995 5224 1 12 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.142 -0.394 17995 5225 1 12 . 1 1 43 43 LYS C C 21 176.559 176.559 177.353 -0.794 17995 5226 1 12 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.774 0.324 17995 5227 1 12 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.764 0.217 17995 5228 1 12 . 1 1 43 43 LYS H H 21 7.719 7.719 8.201 -0.482 17995 5229 1 12 . 1 1 44 44 HIS N N 22 115.571 115.571 117.271 -1.700 17995 5230 1 12 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.646 -0.218 17995 5231 1 12 . 1 1 44 44 HIS C C 22 176.288 176.288 176.417 -0.129 17995 5232 1 12 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.015 -0.231 17995 5233 1 12 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.983 -0.513 17995 5234 1 12 . 1 1 44 44 HIS H H 22 7.124 7.124 7.934 -0.810 17995 5235 1 12 . 1 1 45 45 THR N N 23 107.890 107.890 115.224 -7.334 17995 5236 1 12 . 1 1 45 45 THR HA H 23 4.355 4.355 4.257 0.098 17995 5237 1 12 . 1 1 45 45 THR C C 23 174.650 174.650 174.619 0.031 17995 5238 1 12 . 1 1 45 45 THR CA C 23 61.627 61.627 62.206 -0.579 17995 5239 1 12 . 1 1 45 45 THR CB C 23 69.475 69.475 68.750 0.725 17995 5240 1 12 . 1 1 45 45 THR H H 23 7.441 7.441 7.568 -0.127 17995 5241 1 12 . 1 1 46 46 LEU N N 24 121.435 121.435 117.744 3.691 17995 5242 1 12 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.925 -0.302 17995 5243 1 12 . 1 1 46 46 LEU C C 24 176.537 176.537 175.099 1.438 17995 5244 1 12 . 1 1 46 46 LEU CA C 24 54.590 54.590 52.736 1.854 17995 5245 1 12 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.472 -0.355 17995 5246 1 12 . 1 1 46 46 LEU H H 24 7.059 7.059 7.343 -0.284 17995 5247 1 12 . 1 1 47 47 THR N N 25 116.104 116.104 109.784 6.320 17995 5248 1 12 . 1 1 47 47 THR HA H 25 4.605 4.605 4.639 -0.034 17995 5249 1 12 . 1 1 47 47 THR C C 25 175.526 175.526 175.636 -0.110 17995 5250 1 12 . 1 1 47 47 THR CA C 25 59.878 59.878 59.578 0.300 17995 5251 1 12 . 1 1 47 47 THR CB C 25 71.752 71.752 71.034 0.718 17995 5252 1 12 . 1 1 47 47 THR H H 25 9.432 9.432 7.867 1.565 17995 5253 1 12 . 1 1 48 48 ALA N N 26 122.234 122.234 121.777 0.457 17995 5254 1 12 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.113 -0.304 17995 5255 1 12 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.916 0.677 17995 5256 1 12 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.523 0.131 17995 5257 1 12 . 1 1 48 48 ALA H H 26 9.142 9.142 8.592 0.550 17995 5258 1 12 . 1 1 49 49 SER HA H 27 4.448 4.448 4.338 0.110 17995 5259 1 12 . 1 1 49 49 SER C C 27 174.637 174.637 174.470 0.167 17995 5260 1 12 . 1 1 49 49 SER CA C 27 58.348 58.348 59.661 -1.313 17995 5261 1 12 . 1 1 49 49 SER CB C 27 63.704 63.704 62.697 1.007 17995 5262 1 12 . 1 1 50 50 SER N N 28 122.032 122.032 118.313 3.719 17995 5263 1 12 . 1 1 50 50 SER HA H 28 4.269 4.269 4.375 -0.106 17995 5264 1 12 . 1 1 50 50 SER C C 28 172.904 172.904 173.665 -0.761 17995 5265 1 12 . 1 1 50 50 SER CA C 28 60.846 60.846 58.247 2.599 17995 5266 1 12 . 1 1 50 50 SER CB C 28 63.063 63.063 63.270 -0.207 17995 5267 1 12 . 1 1 50 50 SER H H 28 8.157 8.157 7.490 0.667 17995 5268 1 12 . 1 1 51 51 VAL N N 29 127.079 127.079 126.207 0.872 17995 5269 1 12 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.209 0.133 17995 5270 1 12 . 1 1 51 51 VAL C C 29 176.612 176.612 175.681 0.931 17995 5271 1 12 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.106 -0.658 17995 5272 1 12 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.053 0.172 17995 5273 1 12 . 1 1 51 51 VAL H H 29 8.505 8.505 8.638 -0.133 17995 5274 1 12 . 1 1 52 52 LEU N N 30 126.014 126.014 121.331 4.683 17995 5275 1 12 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.610 0.185 17995 5276 1 12 . 1 1 52 52 LEU C C 30 176.569 176.569 177.170 -0.601 17995 5277 1 12 . 1 1 52 52 LEU CA C 30 54.532 54.532 54.776 -0.244 17995 5278 1 12 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.459 -2.455 17995 5279 1 12 . 1 1 52 52 LEU H H 30 7.954 7.954 8.416 -0.462 17995 5280 1 12 . 1 1 53 53 LEU N N 31 122.601 122.601 120.736 1.865 17995 5281 1 12 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.040 0.046 17995 5282 1 12 . 1 1 53 53 LEU C C 31 177.683 177.683 177.254 0.429 17995 5283 1 12 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.754 0.620 17995 5284 1 12 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.788 0.031 17995 5285 1 12 . 1 1 53 53 LEU H H 31 7.777 7.777 7.636 0.141 17995 5286 1 12 . 1 1 54 54 GLY N N 32 114.941 114.941 114.025 0.916 17995 5287 1 12 . 1 1 54 54 GLY C C 32 173.612 173.612 174.532 -0.920 17995 5288 1 12 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.337 0.221 17995 5289 1 12 . 1 1 54 54 GLY H H 32 9.121 9.121 8.625 0.496 17995 5290 1 12 . 1 1 55 55 ASN N N 33 117.901 117.901 121.899 -3.998 17995 5291 1 12 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.777 0.153 17995 5292 1 12 . 1 1 55 55 ASN C C 33 174.458 174.458 176.367 -1.909 17995 5293 1 12 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.118 -0.299 17995 5294 1 12 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.586 1.961 17995 5295 1 12 . 1 1 55 55 ASN H H 33 7.789 7.789 7.674 0.115 17995 5296 1 12 . 1 1 56 56 ILE N N 34 120.163 120.163 123.031 -2.868 17995 5297 1 12 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.354 0.183 17995 5298 1 12 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.269 -0.268 17995 5299 1 12 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.133 1.960 17995 5300 1 12 . 1 1 56 56 ILE H H 34 7.703 7.703 8.056 -0.353 17995 5301 1 12 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.443 -0.270 17995 5302 1 12 . 1 1 57 57 PRO C C 35 177.969 177.969 176.485 1.484 17995 5303 1 12 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.161 1.115 17995 5304 1 12 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.945 -0.011 17995 5305 1 12 . 1 1 58 58 GLU N N 36 116.701 116.701 116.952 -0.251 17995 5306 1 12 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.411 -0.439 17995 5307 1 12 . 1 1 58 58 GLU C C 36 176.612 176.612 175.832 0.780 17995 5308 1 12 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.552 3.795 17995 5309 1 12 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.601 0.231 17995 5310 1 12 . 1 1 58 58 GLU H H 36 9.581 9.581 8.505 1.076 17995 5311 1 12 . 1 1 59 59 LEU N N 37 121.189 121.189 124.340 -3.151 17995 5312 1 12 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.323 -0.011 17995 5313 1 12 . 1 1 59 59 LEU C C 37 173.353 173.353 175.863 -2.510 17995 5314 1 12 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.741 -1.463 17995 5315 1 12 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.298 0.701 17995 5316 1 12 . 1 1 59 59 LEU H H 37 7.560 7.560 7.322 0.238 17995 5317 1 12 . 1 1 60 60 ASP N N 38 126.468 126.468 124.556 1.912 17995 5318 1 12 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.693 0.022 17995 5319 1 12 . 1 1 60 60 ASP C C 38 175.828 175.828 176.979 -1.151 17995 5320 1 12 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.321 -1.401 17995 5321 1 12 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.118 -2.562 17995 5322 1 12 . 1 1 60 60 ASP H H 38 7.527 7.527 7.685 -0.158 17995 5323 1 12 . 1 1 61 61 SER N N 39 113.128 113.128 117.810 -4.682 17995 5324 1 12 . 1 1 61 61 SER HA H 39 4.019 4.019 4.160 -0.141 17995 5325 1 12 . 1 1 61 61 SER C C 39 175.854 175.854 176.526 -0.672 17995 5326 1 12 . 1 1 61 61 SER CA C 39 61.276 61.276 61.492 -0.215 17995 5327 1 12 . 1 1 61 61 SER CB C 39 65.520 65.520 62.988 2.532 17995 5328 1 12 . 1 1 61 61 SER H H 39 8.623 8.623 8.445 0.178 17995 5329 1 12 . 1 1 62 62 MET N N 40 121.706 121.706 118.585 3.121 17995 5330 1 12 . 1 1 62 62 MET HA H 40 4.303 4.303 4.246 0.057 17995 5331 1 12 . 1 1 62 62 MET C C 40 177.755 177.755 178.009 -0.254 17995 5332 1 12 . 1 1 62 62 MET CA C 40 57.714 57.714 55.784 1.930 17995 5333 1 12 . 1 1 62 62 MET CB C 40 32.386 32.386 30.959 1.427 17995 5334 1 12 . 1 1 62 62 MET H H 40 7.802 7.802 8.117 -0.315 17995 5335 1 12 . 1 1 63 63 ALA N N 41 124.277 124.277 121.937 2.340 17995 5336 1 12 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.165 0.006 17995 5337 1 12 . 1 1 63 63 ALA C C 41 179.893 179.893 179.413 0.480 17995 5338 1 12 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.628 0.473 17995 5339 1 12 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.018 1.638 17995 5340 1 12 . 1 1 63 63 ALA H H 41 8.295 8.295 7.711 0.584 17995 5341 1 12 . 1 1 64 64 VAL N N 42 118.186 118.186 116.464 1.722 17995 5342 1 12 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.484 -0.491 17995 5343 1 12 . 1 1 64 64 VAL C C 42 177.327 177.327 177.328 -0.001 17995 5344 1 12 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.706 1.606 17995 5345 1 12 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.434 -0.242 17995 5346 1 12 . 1 1 64 64 VAL H H 42 8.019 8.019 7.762 0.257 17995 5347 1 12 . 1 1 65 65 VAL N N 43 118.361 118.361 120.534 -2.173 17995 5348 1 12 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.538 0.026 17995 5349 1 12 . 1 1 65 65 VAL C C 43 178.520 178.520 178.370 0.150 17995 5350 1 12 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.006 0.551 17995 5351 1 12 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.538 0.962 17995 5352 1 12 . 1 1 65 65 VAL H H 43 6.942 6.942 7.427 -0.485 17995 5353 1 12 . 1 1 66 66 ASN N N 44 119.476 119.476 118.566 0.910 17995 5354 1 12 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.492 0.070 17995 5355 1 12 . 1 1 66 66 ASN C C 44 178.760 178.760 178.117 0.643 17995 5356 1 12 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.306 -0.471 17995 5357 1 12 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.236 -0.429 17995 5358 1 12 . 1 1 66 66 ASN H H 44 7.789 7.789 7.968 -0.179 17995 5359 1 12 . 1 1 67 67 VAL N N 45 124.029 124.029 117.238 6.791 17995 5360 1 12 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.864 -0.246 17995 5361 1 12 . 1 1 67 67 VAL C C 45 177.100 177.100 177.586 -0.486 17995 5362 1 12 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.917 1.449 17995 5363 1 12 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.568 -0.108 17995 5364 1 12 . 1 1 67 67 VAL H H 45 9.055 9.055 7.671 1.384 17995 5365 1 12 . 1 1 68 68 ILE N N 46 121.006 121.006 122.682 -1.676 17995 5366 1 12 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.788 0.000 17995 5367 1 12 . 1 1 68 68 ILE C C 46 177.871 177.871 178.065 -0.194 17995 5368 1 12 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.739 -0.477 17995 5369 1 12 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.587 -1.419 17995 5370 1 12 . 1 1 68 68 ILE H H 46 8.509 8.509 7.756 0.753 17995 5371 1 12 . 1 1 69 69 THR N N 47 116.096 116.096 116.050 0.046 17995 5372 1 12 . 1 1 69 69 THR HA H 47 4.391 4.391 3.954 0.437 17995 5373 1 12 . 1 1 69 69 THR C C 47 176.365 176.365 176.219 0.146 17995 5374 1 12 . 1 1 69 69 THR CA C 47 66.256 66.256 67.168 -0.912 17995 5375 1 12 . 1 1 69 69 THR CB C 47 69.098 69.098 68.270 0.828 17995 5376 1 12 . 1 1 69 69 THR H H 47 8.512 8.512 7.889 0.623 17995 5377 1 12 . 1 1 70 70 ALA N N 48 123.948 123.948 124.352 -0.404 17995 5378 1 12 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.320 -0.017 17995 5379 1 12 . 1 1 70 70 ALA C C 48 181.452 181.452 179.595 1.857 17995 5380 1 12 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.306 -0.123 17995 5381 1 12 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.268 1.154 17995 5382 1 12 . 1 1 70 70 ALA H H 48 7.802 7.802 8.053 -0.251 17995 5383 1 12 . 1 1 71 71 LEU N N 49 121.199 121.199 119.468 1.731 17995 5384 1 12 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.249 -0.026 17995 5385 1 12 . 1 1 71 71 LEU C C 49 178.192 178.192 179.837 -1.645 17995 5386 1 12 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.196 0.366 17995 5387 1 12 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.970 1.481 17995 5388 1 12 . 1 1 71 71 LEU H H 49 8.802 8.802 8.283 0.519 17995 5389 1 12 . 1 1 72 72 GLU N N 50 119.782 119.782 118.766 1.016 17995 5390 1 12 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.232 -0.742 17995 5391 1 12 . 1 1 72 72 GLU C C 50 180.303 180.303 180.034 0.269 17995 5392 1 12 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.297 0.554 17995 5393 1 12 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.997 2.111 17995 5394 1 12 . 1 1 72 72 GLU H H 50 8.762 8.762 8.194 0.568 17995 5395 1 12 . 1 1 73 73 GLU N N 51 116.902 116.902 119.524 -2.622 17995 5396 1 12 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.173 -0.121 17995 5397 1 12 . 1 1 73 73 GLU C C 51 178.334 178.334 179.337 -1.003 17995 5398 1 12 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.761 -0.143 17995 5399 1 12 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.526 0.556 17995 5400 1 12 . 1 1 73 73 GLU H H 51 7.953 7.953 7.927 0.026 17995 5401 1 12 . 1 1 74 74 TYR N N 52 119.999 119.999 118.585 1.414 17995 5402 1 12 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.267 -0.385 17995 5403 1 12 . 1 1 74 74 TYR C C 52 177.384 177.384 178.180 -0.796 17995 5404 1 12 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.145 0.455 17995 5405 1 12 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.656 0.989 17995 5406 1 12 . 1 1 74 74 TYR H H 52 8.078 8.078 8.193 -0.115 17995 5407 1 12 . 1 1 75 75 PHE N N 53 113.650 113.650 114.774 -1.124 17995 5408 1 12 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.360 -0.174 17995 5409 1 12 . 1 1 75 75 PHE C C 53 174.485 174.485 175.464 -0.979 17995 5410 1 12 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.308 -0.064 17995 5411 1 12 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.934 1.106 17995 5412 1 12 . 1 1 75 75 PHE H H 53 8.244 8.244 8.112 0.132 17995 5413 1 12 . 1 1 76 76 ASP N N 54 119.712 119.712 117.894 1.818 17995 5414 1 12 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.511 -0.131 17995 5415 1 12 . 1 1 76 76 ASP C C 54 174.118 174.118 175.388 -1.270 17995 5416 1 12 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.380 -0.517 17995 5417 1 12 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.923 -0.768 17995 5418 1 12 . 1 1 76 76 ASP H H 54 7.596 7.596 7.961 -0.365 17995 5419 1 12 . 1 1 77 77 PHE N N 55 113.804 113.804 114.062 -0.258 17995 5420 1 12 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.023 0.052 17995 5421 1 12 . 1 1 77 77 PHE C C 55 174.384 174.384 173.508 0.876 17995 5422 1 12 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.898 -1.462 17995 5423 1 12 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.416 -0.786 17995 5424 1 12 . 1 1 77 77 PHE H H 55 7.725 7.725 8.204 -0.479 17995 5425 1 12 . 1 1 78 78 SER N N 56 114.319 114.319 116.027 -1.708 17995 5426 1 12 . 1 1 78 78 SER HA H 56 5.149 5.149 4.851 0.298 17995 5427 1 12 . 1 1 78 78 SER C C 56 174.100 174.100 173.420 0.680 17995 5428 1 12 . 1 1 78 78 SER CA C 56 56.800 56.800 56.780 0.020 17995 5429 1 12 . 1 1 78 78 SER CB C 56 65.011 65.011 64.499 0.512 17995 5430 1 12 . 1 1 78 78 SER H H 56 8.727 8.727 8.129 0.598 17995 5431 1 12 . 1 1 79 79 VAL N N 57 128.316 128.316 127.002 1.314 17995 5432 1 12 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.767 0.477 17995 5433 1 12 . 1 1 79 79 VAL C C 57 175.637 175.637 175.540 0.097 17995 5434 1 12 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.678 -0.923 17995 5435 1 12 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.741 1.132 17995 5436 1 12 . 1 1 79 79 VAL H H 57 10.222 10.222 8.142 2.080 17995 5437 1 12 . 1 1 80 80 ASP N N 58 130.058 130.058 127.119 2.939 17995 5438 1 12 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.530 0.316 17995 5439 1 12 . 1 1 80 80 ASP C C 58 177.205 177.205 176.748 0.457 17995 5440 1 12 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.546 -1.070 17995 5441 1 12 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.554 -0.889 17995 5442 1 12 . 1 1 80 80 ASP H H 58 9.396 9.396 8.116 1.280 17995 5443 1 12 . 1 1 81 81 ASP N N 59 122.564 122.564 123.090 -0.526 17995 5444 1 12 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.440 -0.160 17995 5445 1 12 . 1 1 81 81 ASP C C 59 177.291 177.291 176.569 0.722 17995 5446 1 12 . 1 1 81 81 ASP CA C 59 57.460 57.460 55.831 1.629 17995 5447 1 12 . 1 1 81 81 ASP CB C 59 40.730 40.730 40.909 -0.179 17995 5448 1 12 . 1 1 81 81 ASP H H 59 8.696 8.696 8.747 -0.051 17995 5449 1 12 . 1 1 82 82 ASP N N 60 115.817 115.817 117.743 -1.926 17995 5450 1 12 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.551 0.008 17995 5451 1 12 . 1 1 82 82 ASP C C 60 176.939 176.939 176.957 -0.018 17995 5452 1 12 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.684 -0.823 17995 5453 1 12 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.199 -0.784 17995 5454 1 12 . 1 1 82 82 ASP H H 60 8.460 8.460 8.074 0.386 17995 5455 1 12 . 1 1 83 83 GLU N N 61 118.478 118.478 117.459 1.019 17995 5456 1 12 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.559 -0.258 17995 5457 1 12 . 1 1 83 83 GLU C C 61 175.841 175.841 176.743 -0.902 17995 5458 1 12 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.615 0.688 17995 5459 1 12 . 1 1 83 83 GLU CB C 61 31.491 31.491 31.334 0.157 17995 5460 1 12 . 1 1 83 83 GLU H H 61 7.903 7.903 7.728 0.175 17995 5461 1 12 . 1 1 84 84 ILE N N 62 117.759 117.759 122.962 -5.203 17995 5462 1 12 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.867 0.298 17995 5463 1 12 . 1 1 84 84 ILE C C 62 174.069 174.069 175.311 -1.242 17995 5464 1 12 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.344 -2.850 17995 5465 1 12 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.382 1.754 17995 5466 1 12 . 1 1 84 84 ILE H H 62 7.396 7.396 7.478 -0.082 17995 5467 1 12 . 1 1 85 85 SER N N 63 119.980 119.980 123.332 -3.352 17995 5468 1 12 . 1 1 85 85 SER HA H 63 4.789 4.789 4.745 0.044 17995 5469 1 12 . 1 1 85 85 SER CA C 63 56.772 56.772 56.597 0.175 17995 5470 1 12 . 1 1 85 85 SER CB C 63 66.916 66.916 66.163 0.753 17995 5471 1 12 . 1 1 85 85 SER H H 63 8.384 8.384 8.323 0.061 17995 5472 1 12 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.210 -0.183 17995 5473 1 12 . 1 1 86 86 ALA C C 64 180.211 180.211 179.370 0.841 17995 5474 1 12 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.953 0.548 17995 5475 1 12 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.411 -0.401 17995 5476 1 12 . 1 1 87 87 GLN N N 65 116.123 116.123 114.540 1.583 17995 5477 1 12 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.265 -0.200 17995 5478 1 12 . 1 1 87 87 GLN C C 65 178.564 178.564 176.600 1.964 17995 5479 1 12 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.675 1.064 17995 5480 1 12 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.744 0.699 17995 5481 1 12 . 1 1 87 87 GLN H H 65 7.990 7.990 8.543 -0.553 17995 5482 1 12 . 1 1 88 88 THR N N 66 119.153 119.153 115.005 4.148 17995 5483 1 12 . 1 1 88 88 THR HA H 66 3.631 3.631 3.841 -0.210 17995 5484 1 12 . 1 1 88 88 THR C C 66 174.748 174.748 174.897 -0.149 17995 5485 1 12 . 1 1 88 88 THR CA C 66 66.591 66.591 65.124 1.467 17995 5486 1 12 . 1 1 88 88 THR CB C 66 68.702 68.702 68.744 -0.042 17995 5487 1 12 . 1 1 88 88 THR H H 66 7.738 7.738 7.513 0.225 17995 5488 1 12 . 1 1 89 89 PHE N N 67 115.088 115.088 118.210 -3.122 17995 5489 1 12 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.563 -0.326 17995 5490 1 12 . 1 1 89 89 PHE C C 67 173.600 173.600 176.482 -2.882 17995 5491 1 12 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.604 -0.082 17995 5492 1 12 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.344 0.362 17995 5493 1 12 . 1 1 89 89 PHE H H 67 7.180 7.180 7.583 -0.403 17995 5494 1 12 . 1 1 90 90 GLU N N 68 122.222 122.222 120.034 2.188 17995 5495 1 12 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.093 0.074 17995 5496 1 12 . 1 1 90 90 GLU C C 68 178.581 178.581 176.608 1.973 17995 5497 1 12 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.586 1.140 17995 5498 1 12 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.831 0.917 17995 5499 1 12 . 1 1 90 90 GLU H H 68 7.421 7.421 7.974 -0.553 17995 5500 1 12 . 1 1 91 91 THR N N 69 106.383 106.383 112.707 -6.324 17995 5501 1 12 . 1 1 91 91 THR HA H 69 5.477 5.477 4.689 0.788 17995 5502 1 12 . 1 1 91 91 THR C C 69 174.775 174.775 173.727 1.048 17995 5503 1 12 . 1 1 91 91 THR CA C 69 58.798 58.798 60.857 -2.059 17995 5504 1 12 . 1 1 91 91 THR CB C 69 74.841 74.841 72.042 2.799 17995 5505 1 12 . 1 1 91 91 THR H H 69 8.534 8.534 7.342 1.192 17995 5506 1 12 . 1 1 92 92 LEU N N 70 120.326 120.326 125.284 -4.958 17995 5507 1 12 . 1 1 92 92 LEU HA H 70 4.143 4.143 3.981 0.162 17995 5508 1 12 . 1 1 92 92 LEU C C 70 178.174 178.174 177.985 0.189 17995 5509 1 12 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.711 0.555 17995 5510 1 12 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.141 -1.271 17995 5511 1 12 . 1 1 92 92 LEU H H 70 7.991 7.991 8.928 -0.937 17995 5512 1 12 . 1 1 93 93 GLY N N 71 106.588 106.588 105.046 1.542 17995 5513 1 12 . 1 1 93 93 GLY C C 71 175.300 175.300 176.044 -0.744 17995 5514 1 12 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.573 -0.236 17995 5515 1 12 . 1 1 93 93 GLY H H 71 9.019 9.019 8.414 0.605 17995 5516 1 12 . 1 1 94 94 SER N N 72 120.200 120.200 118.722 1.478 17995 5517 1 12 . 1 1 94 94 SER HA H 72 4.090 4.090 4.287 -0.197 17995 5518 1 12 . 1 1 94 94 SER C C 72 177.631 177.631 176.756 0.875 17995 5519 1 12 . 1 1 94 94 SER CA C 72 62.329 62.329 62.127 0.202 17995 5520 1 12 . 1 1 94 94 SER H H 72 8.709 8.709 7.347 1.362 17995 5521 1 12 . 1 1 95 95 LEU N N 73 129.169 129.169 121.209 7.960 17995 5522 1 12 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.886 0.354 17995 5523 1 12 . 1 1 95 95 LEU C C 73 176.439 176.439 178.943 -2.504 17995 5524 1 12 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.892 0.910 17995 5525 1 12 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.085 1.774 17995 5526 1 12 . 1 1 95 95 LEU H H 73 7.800 7.800 7.418 0.382 17995 5527 1 12 . 1 1 96 96 ALA N N 74 121.721 121.721 122.716 -0.995 17995 5528 1 12 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.937 0.052 17995 5529 1 12 . 1 1 96 96 ALA C C 74 180.456 180.456 179.844 0.612 17995 5530 1 12 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.203 0.499 17995 5531 1 12 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.390 -0.674 17995 5532 1 12 . 1 1 96 96 ALA H H 74 8.612 8.612 8.184 0.428 17995 5533 1 12 . 1 1 97 97 LEU N N 75 122.095 122.095 119.112 2.983 17995 5534 1 12 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.898 0.159 17995 5535 1 12 . 1 1 97 97 LEU C C 75 178.805 178.805 178.927 -0.122 17995 5536 1 12 . 1 1 97 97 LEU CA C 75 57.769 57.769 56.983 0.786 17995 5537 1 12 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.052 1.770 17995 5538 1 12 . 1 1 97 97 LEU H H 75 8.777 8.777 8.075 0.702 17995 5539 1 12 . 1 1 98 98 PHE N N 76 122.741 122.741 118.437 4.304 17995 5540 1 12 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.934 0.328 17995 5541 1 12 . 1 1 98 98 PHE C C 76 176.878 176.878 178.362 -1.484 17995 5542 1 12 . 1 1 98 98 PHE CA C 76 61.232 61.232 61.712 -0.480 17995 5543 1 12 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.529 0.020 17995 5544 1 12 . 1 1 98 98 PHE H H 76 7.889 7.889 8.155 -0.266 17995 5545 1 12 . 1 1 99 99 VAL N N 77 119.641 119.641 115.374 4.267 17995 5546 1 12 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.598 -0.820 17995 5547 1 12 . 1 1 99 99 VAL C C 77 176.414 176.414 177.544 -1.130 17995 5548 1 12 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.351 1.617 17995 5549 1 12 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.200 0.986 17995 5550 1 12 . 1 1 99 99 VAL H H 77 7.599 7.599 8.233 -0.634 17995 5551 1 12 . 1 1 100 100 GLU N N 78 118.850 118.850 121.941 -3.091 17995 5552 1 12 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.242 -0.469 17995 5553 1 12 . 1 1 100 100 GLU C C 78 179.007 179.007 179.241 -0.234 17995 5554 1 12 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.592 -0.052 17995 5555 1 12 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.975 0.803 17995 5556 1 12 . 1 1 100 100 GLU H H 78 7.740 7.740 7.960 -0.220 17995 5557 1 12 . 1 1 101 101 HIS N N 79 120.328 120.328 118.134 2.194 17995 5558 1 12 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.306 -0.105 17995 5559 1 12 . 1 1 101 101 HIS C C 79 178.242 178.242 177.939 0.303 17995 5560 1 12 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.403 0.835 17995 5561 1 12 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.902 0.036 17995 5562 1 12 . 1 1 101 101 HIS H H 79 8.354 8.354 7.612 0.742 17995 5563 1 12 . 1 1 102 102 LYS N N 80 121.044 121.044 118.821 2.223 17995 5564 1 12 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.254 -0.687 17995 5565 1 12 . 1 1 102 102 LYS C C 80 179.199 179.199 178.524 0.675 17995 5566 1 12 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.453 -1.466 17995 5567 1 12 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.257 -2.080 17995 5568 1 12 . 1 1 102 102 LYS H H 80 7.908 7.908 7.829 0.079 17995 5569 1 12 . 1 1 103 103 LEU N N 81 118.698 118.698 118.357 0.341 17995 5570 1 12 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.261 -0.103 17995 5571 1 12 . 1 1 103 103 LEU C C 81 178.593 178.593 178.753 -0.160 17995 5572 1 12 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.212 0.183 17995 5573 1 12 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.038 1.271 17995 5574 1 12 . 1 1 103 103 LEU H H 81 7.784 7.784 7.811 -0.027 17995 5575 1 12 . 1 1 104 104 SER N N 82 114.826 114.826 112.660 2.166 17995 5576 1 12 . 1 1 104 104 SER HA H 82 4.358 4.358 4.477 -0.119 17995 5577 1 12 . 1 1 104 104 SER C C 82 174.810 174.810 174.471 0.339 17995 5578 1 12 . 1 1 104 104 SER CA C 82 59.567 59.567 59.759 -0.192 17995 5579 1 12 . 1 1 104 104 SER CB C 82 63.859 63.859 64.286 -0.427 17995 5580 1 12 . 1 1 104 104 SER H H 82 7.738 7.738 7.982 -0.244 17995 5581 1 13 . 1 1 24 24 GLN N N 2 121.730 121.730 121.372 0.358 17995 5582 1 13 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.377 -0.415 17995 5583 1 13 . 1 1 24 24 GLN C C 2 177.291 177.291 177.178 0.113 17995 5584 1 13 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.159 1.232 17995 5585 1 13 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.391 -0.681 17995 5586 1 13 . 1 1 24 24 GLN H H 2 8.511 8.511 8.888 -0.377 17995 5587 1 13 . 1 1 25 25 HIS N N 3 116.878 116.878 120.047 -3.169 17995 5588 1 13 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.721 0.382 17995 5589 1 13 . 1 1 25 25 HIS C C 3 175.501 175.501 176.991 -1.490 17995 5590 1 13 . 1 1 25 25 HIS CA C 3 56.347 56.347 56.197 0.150 17995 5591 1 13 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.677 0.950 17995 5592 1 13 . 1 1 25 25 HIS H H 3 8.216 8.216 7.960 0.256 17995 5593 1 13 . 1 1 26 26 LEU N N 4 121.540 121.540 119.593 1.947 17995 5594 1 13 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.117 -0.424 17995 5595 1 13 . 1 1 26 26 LEU C C 4 177.649 177.649 178.248 -0.599 17995 5596 1 13 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.331 1.372 17995 5597 1 13 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.193 1.142 17995 5598 1 13 . 1 1 26 26 LEU H H 4 7.447 7.447 7.824 -0.377 17995 5599 1 13 . 1 1 27 27 GLU N N 5 118.441 118.441 120.305 -1.864 17995 5600 1 13 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.943 -0.052 17995 5601 1 13 . 1 1 27 27 GLU C C 5 178.162 178.162 178.096 0.066 17995 5602 1 13 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.049 0.573 17995 5603 1 13 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.049 0.028 17995 5604 1 13 . 1 1 27 27 GLU H H 5 8.561 8.561 7.780 0.781 17995 5605 1 13 . 1 1 28 28 ALA N N 6 122.005 122.005 121.731 0.274 17995 5606 1 13 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.202 -0.070 17995 5607 1 13 . 1 1 28 28 ALA C C 6 180.421 180.421 179.901 0.520 17995 5608 1 13 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.859 0.419 17995 5609 1 13 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.296 0.470 17995 5610 1 13 . 1 1 28 28 ALA H H 6 8.205 8.205 8.246 -0.041 17995 5611 1 13 . 1 1 29 29 VAL N N 7 116.985 116.985 119.647 -2.662 17995 5612 1 13 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.584 -0.075 17995 5613 1 13 . 1 1 29 29 VAL C C 7 177.034 177.034 177.566 -0.532 17995 5614 1 13 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.943 0.420 17995 5615 1 13 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.688 -0.249 17995 5616 1 13 . 1 1 29 29 VAL H H 7 8.392 8.392 8.077 0.315 17995 5617 1 13 . 1 1 30 30 ARG N N 8 121.674 121.674 118.726 2.948 17995 5618 1 13 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.054 -0.390 17995 5619 1 13 . 1 1 30 30 ARG C C 8 177.810 177.810 178.543 -0.733 17995 5620 1 13 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.121 1.404 17995 5621 1 13 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.446 1.220 17995 5622 1 13 . 1 1 30 30 ARG H H 8 8.784 8.784 8.347 0.437 17995 5623 1 13 . 1 1 31 31 ASN N N 9 118.102 118.102 118.941 -0.839 17995 5624 1 13 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.516 -0.232 17995 5625 1 13 . 1 1 31 31 ASN C C 9 177.890 177.890 177.331 0.559 17995 5626 1 13 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.464 -0.210 17995 5627 1 13 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.472 -0.884 17995 5628 1 13 . 1 1 31 31 ASN H H 9 8.144 8.144 8.014 0.130 17995 5629 1 13 . 1 1 32 32 ILE N N 10 123.614 123.614 120.420 3.194 17995 5630 1 13 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.661 0.131 17995 5631 1 13 . 1 1 32 32 ILE C C 10 177.810 177.810 177.905 -0.095 17995 5632 1 13 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.266 -0.008 17995 5633 1 13 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.068 0.666 17995 5634 1 13 . 1 1 32 32 ILE H H 10 8.137 8.137 7.822 0.315 17995 5635 1 13 . 1 1 33 33 LEU N N 11 119.797 119.797 119.716 0.081 17995 5636 1 13 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.028 -0.242 17995 5637 1 13 . 1 1 33 33 LEU C C 11 179.039 179.039 179.421 -0.382 17995 5638 1 13 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.031 0.679 17995 5639 1 13 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.367 0.709 17995 5640 1 13 . 1 1 33 33 LEU H H 11 8.637 8.637 8.665 -0.028 17995 5641 1 13 . 1 1 34 34 GLY N N 12 103.682 103.682 105.701 -2.019 17995 5642 1 13 . 1 1 34 34 GLY C C 12 175.242 175.242 175.213 0.029 17995 5643 1 13 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.011 0.707 17995 5644 1 13 . 1 1 34 34 GLY H H 12 8.513 8.513 8.225 0.288 17995 5645 1 13 . 1 1 35 35 ASP N N 13 122.235 122.235 121.157 1.078 17995 5646 1 13 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.690 -0.105 17995 5647 1 13 . 1 1 35 35 ASP C C 13 179.013 179.013 177.963 1.050 17995 5648 1 13 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.112 0.804 17995 5649 1 13 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.541 -0.495 17995 5650 1 13 . 1 1 35 35 ASP H H 13 7.968 7.968 7.708 0.260 17995 5651 1 13 . 1 1 36 36 VAL N N 14 120.841 120.841 119.881 0.960 17995 5652 1 13 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.814 -0.137 17995 5653 1 13 . 1 1 36 36 VAL C C 14 177.797 177.797 177.848 -0.051 17995 5654 1 13 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.614 0.390 17995 5655 1 13 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.237 -0.005 17995 5656 1 13 . 1 1 36 36 VAL H H 14 8.765 8.765 8.151 0.614 17995 5657 1 13 . 1 1 37 37 LEU N N 15 114.630 114.630 115.607 -0.977 17995 5658 1 13 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.357 -0.076 17995 5659 1 13 . 1 1 37 37 LEU C C 15 175.483 175.483 176.706 -1.223 17995 5660 1 13 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.646 -0.476 17995 5661 1 13 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.097 -0.403 17995 5662 1 13 . 1 1 37 37 LEU H H 15 7.942 7.942 7.926 0.016 17995 5663 1 13 . 1 1 38 38 ASN N N 16 116.887 116.887 117.113 -0.226 17995 5664 1 13 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.541 -0.007 17995 5665 1 13 . 1 1 38 38 ASN C C 16 175.668 175.668 175.060 0.608 17995 5666 1 13 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.822 0.098 17995 5667 1 13 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.413 -0.555 17995 5668 1 13 . 1 1 38 38 ASN H H 16 7.561 7.561 7.864 -0.303 17995 5669 1 13 . 1 1 39 39 LEU N N 17 114.676 114.676 120.304 -5.628 17995 5670 1 13 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.203 -0.133 17995 5671 1 13 . 1 1 39 39 LEU C C 17 178.415 178.415 178.097 0.318 17995 5672 1 13 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.109 -0.365 17995 5673 1 13 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.397 0.879 17995 5674 1 13 . 1 1 39 39 LEU H H 17 8.233 8.233 7.729 0.504 17995 5675 1 13 . 1 1 40 40 GLY N N 18 109.665 109.665 107.712 1.953 17995 5676 1 13 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.739 -0.434 17995 5677 1 13 . 1 1 40 40 GLY H H 18 8.678 8.678 7.863 0.815 17995 5678 1 13 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.318 -0.190 17995 5679 1 13 . 1 1 41 41 GLU C C 19 178.328 178.328 177.729 0.599 17995 5680 1 13 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.511 1.753 17995 5681 1 13 . 1 1 41 41 GLU CB C 19 29.080 29.080 30.053 -0.973 17995 5682 1 13 . 1 1 42 42 ARG N N 20 118.936 118.936 120.154 -1.218 17995 5683 1 13 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.076 0.099 17995 5684 1 13 . 1 1 42 42 ARG C C 20 178.912 178.912 177.457 1.455 17995 5685 1 13 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.933 -0.696 17995 5686 1 13 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.286 -0.230 17995 5687 1 13 . 1 1 42 42 ARG H H 20 7.979 7.979 7.776 0.203 17995 5688 1 13 . 1 1 43 43 LYS N N 21 119.087 119.087 113.942 5.145 17995 5689 1 13 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.104 -0.356 17995 5690 1 13 . 1 1 43 43 LYS C C 21 176.559 176.559 177.108 -0.549 17995 5691 1 13 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.763 0.335 17995 5692 1 13 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.564 0.417 17995 5693 1 13 . 1 1 43 43 LYS H H 21 7.719 7.719 8.325 -0.606 17995 5694 1 13 . 1 1 44 44 HIS N N 22 115.571 115.571 117.779 -2.208 17995 5695 1 13 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.385 0.043 17995 5696 1 13 . 1 1 44 44 HIS C C 22 176.288 176.288 176.720 -0.432 17995 5697 1 13 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.428 -0.644 17995 5698 1 13 . 1 1 44 44 HIS CB C 22 30.470 30.470 29.962 0.508 17995 5699 1 13 . 1 1 44 44 HIS H H 22 7.124 7.124 7.515 -0.391 17995 5700 1 13 . 1 1 45 45 THR N N 23 107.890 107.890 112.692 -4.802 17995 5701 1 13 . 1 1 45 45 THR HA H 23 4.355 4.355 4.403 -0.048 17995 5702 1 13 . 1 1 45 45 THR C C 23 174.650 174.650 174.895 -0.245 17995 5703 1 13 . 1 1 45 45 THR CA C 23 61.627 61.627 63.439 -1.812 17995 5704 1 13 . 1 1 45 45 THR CB C 23 69.475 69.475 69.354 0.121 17995 5705 1 13 . 1 1 45 45 THR H H 23 7.441 7.441 7.817 -0.376 17995 5706 1 13 . 1 1 46 46 LEU N N 24 121.435 121.435 119.361 2.074 17995 5707 1 13 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.796 -0.173 17995 5708 1 13 . 1 1 46 46 LEU C C 24 176.537 176.537 175.825 0.712 17995 5709 1 13 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.049 1.541 17995 5710 1 13 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.518 -0.401 17995 5711 1 13 . 1 1 46 46 LEU H H 24 7.059 7.059 7.318 -0.259 17995 5712 1 13 . 1 1 47 47 THR N N 25 116.104 116.104 110.979 5.125 17995 5713 1 13 . 1 1 47 47 THR HA H 25 4.605 4.605 4.512 0.093 17995 5714 1 13 . 1 1 47 47 THR C C 25 175.526 175.526 175.908 -0.382 17995 5715 1 13 . 1 1 47 47 THR CA C 25 59.878 59.878 60.057 -0.179 17995 5716 1 13 . 1 1 47 47 THR CB C 25 71.752 71.752 71.383 0.369 17995 5717 1 13 . 1 1 47 47 THR H H 25 9.432 9.432 8.113 1.319 17995 5718 1 13 . 1 1 48 48 ALA N N 26 122.234 122.234 122.926 -0.692 17995 5719 1 13 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.105 -0.296 17995 5720 1 13 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.705 0.888 17995 5721 1 13 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.322 0.332 17995 5722 1 13 . 1 1 48 48 ALA H H 26 9.142 9.142 8.783 0.359 17995 5723 1 13 . 1 1 49 49 SER HA H 27 4.448 4.448 4.293 0.155 17995 5724 1 13 . 1 1 49 49 SER C C 27 174.637 174.637 174.862 -0.225 17995 5725 1 13 . 1 1 49 49 SER CA C 27 58.348 58.348 60.225 -1.877 17995 5726 1 13 . 1 1 49 49 SER CB C 27 63.704 63.704 63.093 0.611 17995 5727 1 13 . 1 1 50 50 SER N N 28 122.032 122.032 118.991 3.041 17995 5728 1 13 . 1 1 50 50 SER HA H 28 4.269 4.269 4.363 -0.094 17995 5729 1 13 . 1 1 50 50 SER C C 28 172.904 172.904 174.091 -1.187 17995 5730 1 13 . 1 1 50 50 SER CA C 28 60.846 60.846 59.502 1.344 17995 5731 1 13 . 1 1 50 50 SER CB C 28 63.063 63.063 63.895 -0.832 17995 5732 1 13 . 1 1 50 50 SER H H 28 8.157 8.157 7.397 0.760 17995 5733 1 13 . 1 1 51 51 VAL N N 29 127.079 127.079 126.873 0.206 17995 5734 1 13 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.200 0.142 17995 5735 1 13 . 1 1 51 51 VAL C C 29 176.612 176.612 175.866 0.746 17995 5736 1 13 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.995 -0.547 17995 5737 1 13 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.622 -0.397 17995 5738 1 13 . 1 1 51 51 VAL H H 29 8.505 8.505 8.699 -0.194 17995 5739 1 13 . 1 1 52 52 LEU N N 30 126.014 126.014 126.086 -0.072 17995 5740 1 13 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.663 0.132 17995 5741 1 13 . 1 1 52 52 LEU C C 30 176.569 176.569 176.932 -0.363 17995 5742 1 13 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.368 -0.836 17995 5743 1 13 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.940 -1.936 17995 5744 1 13 . 1 1 52 52 LEU H H 30 7.954 7.954 8.523 -0.569 17995 5745 1 13 . 1 1 53 53 LEU N N 31 122.601 122.601 120.661 1.940 17995 5746 1 13 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.975 0.111 17995 5747 1 13 . 1 1 53 53 LEU C C 31 177.683 177.683 177.481 0.202 17995 5748 1 13 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.592 0.782 17995 5749 1 13 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.950 -0.131 17995 5750 1 13 . 1 1 53 53 LEU H H 31 7.777 7.777 8.038 -0.261 17995 5751 1 13 . 1 1 54 54 GLY N N 32 114.941 114.941 114.148 0.793 17995 5752 1 13 . 1 1 54 54 GLY C C 32 173.612 173.612 174.414 -0.802 17995 5753 1 13 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.627 -0.069 17995 5754 1 13 . 1 1 54 54 GLY H H 32 9.121 9.121 8.972 0.149 17995 5755 1 13 . 1 1 55 55 ASN N N 33 117.901 117.901 121.488 -3.587 17995 5756 1 13 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.803 0.127 17995 5757 1 13 . 1 1 55 55 ASN C C 33 174.458 174.458 176.124 -1.666 17995 5758 1 13 . 1 1 55 55 ASN CA C 33 53.819 53.819 53.993 -0.174 17995 5759 1 13 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.668 1.879 17995 5760 1 13 . 1 1 55 55 ASN H H 33 7.789 7.789 7.681 0.108 17995 5761 1 13 . 1 1 56 56 ILE N N 34 120.163 120.163 122.836 -2.673 17995 5762 1 13 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.307 0.230 17995 5763 1 13 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.580 -0.579 17995 5764 1 13 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.034 2.059 17995 5765 1 13 . 1 1 56 56 ILE H H 34 7.703 7.703 8.069 -0.366 17995 5766 1 13 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.407 -0.234 17995 5767 1 13 . 1 1 57 57 PRO C C 35 177.969 177.969 176.825 1.144 17995 5768 1 13 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.332 0.944 17995 5769 1 13 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.976 -0.042 17995 5770 1 13 . 1 1 58 58 GLU N N 36 116.701 116.701 116.684 0.017 17995 5771 1 13 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.346 -0.374 17995 5772 1 13 . 1 1 58 58 GLU C C 36 176.612 176.612 175.969 0.643 17995 5773 1 13 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.808 3.539 17995 5774 1 13 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.383 0.449 17995 5775 1 13 . 1 1 58 58 GLU H H 36 9.581 9.581 8.658 0.923 17995 5776 1 13 . 1 1 59 59 LEU N N 37 121.189 121.189 123.976 -2.787 17995 5777 1 13 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.310 0.002 17995 5778 1 13 . 1 1 59 59 LEU C C 37 173.353 173.353 175.786 -2.433 17995 5779 1 13 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.829 -1.551 17995 5780 1 13 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.435 0.564 17995 5781 1 13 . 1 1 59 59 LEU H H 37 7.560 7.560 7.194 0.366 17995 5782 1 13 . 1 1 60 60 ASP N N 38 126.468 126.468 124.673 1.795 17995 5783 1 13 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.701 0.014 17995 5784 1 13 . 1 1 60 60 ASP C C 38 175.828 175.828 177.114 -1.286 17995 5785 1 13 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.122 -1.202 17995 5786 1 13 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.121 -2.565 17995 5787 1 13 . 1 1 60 60 ASP H H 38 7.527 7.527 7.716 -0.189 17995 5788 1 13 . 1 1 61 61 SER N N 39 113.128 113.128 116.765 -3.637 17995 5789 1 13 . 1 1 61 61 SER HA H 39 4.019 4.019 4.087 -0.068 17995 5790 1 13 . 1 1 61 61 SER C C 39 175.854 175.854 176.917 -1.063 17995 5791 1 13 . 1 1 61 61 SER CA C 39 61.276 61.276 61.722 -0.446 17995 5792 1 13 . 1 1 61 61 SER CB C 39 65.520 65.520 63.007 2.513 17995 5793 1 13 . 1 1 61 61 SER H H 39 8.623 8.623 8.526 0.097 17995 5794 1 13 . 1 1 62 62 MET N N 40 121.706 121.706 117.937 3.769 17995 5795 1 13 . 1 1 62 62 MET HA H 40 4.303 4.303 4.245 0.058 17995 5796 1 13 . 1 1 62 62 MET C C 40 177.755 177.755 178.040 -0.285 17995 5797 1 13 . 1 1 62 62 MET CA C 40 57.714 57.714 56.762 0.952 17995 5798 1 13 . 1 1 62 62 MET CB C 40 32.386 32.386 31.523 0.863 17995 5799 1 13 . 1 1 62 62 MET H H 40 7.802 7.802 8.062 -0.260 17995 5800 1 13 . 1 1 63 63 ALA N N 41 124.277 124.277 121.837 2.440 17995 5801 1 13 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.101 0.070 17995 5802 1 13 . 1 1 63 63 ALA C C 41 179.893 179.893 179.448 0.445 17995 5803 1 13 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.929 0.172 17995 5804 1 13 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.935 1.721 17995 5805 1 13 . 1 1 63 63 ALA H H 41 8.295 8.295 8.063 0.232 17995 5806 1 13 . 1 1 64 64 VAL N N 42 118.186 118.186 115.378 2.808 17995 5807 1 13 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.474 -0.481 17995 5808 1 13 . 1 1 64 64 VAL C C 42 177.327 177.327 177.508 -0.181 17995 5809 1 13 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.622 1.690 17995 5810 1 13 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.056 0.136 17995 5811 1 13 . 1 1 64 64 VAL H H 42 8.019 8.019 7.467 0.552 17995 5812 1 13 . 1 1 65 65 VAL N N 43 118.361 118.361 121.435 -3.074 17995 5813 1 13 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.498 0.066 17995 5814 1 13 . 1 1 65 65 VAL C C 43 178.520 178.520 178.104 0.416 17995 5815 1 13 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.493 0.064 17995 5816 1 13 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.180 0.320 17995 5817 1 13 . 1 1 65 65 VAL H H 43 6.942 6.942 7.360 -0.418 17995 5818 1 13 . 1 1 66 66 ASN N N 44 119.476 119.476 118.560 0.916 17995 5819 1 13 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.463 0.099 17995 5820 1 13 . 1 1 66 66 ASN C C 44 178.760 178.760 178.147 0.613 17995 5821 1 13 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.293 -0.457 17995 5822 1 13 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.228 -0.421 17995 5823 1 13 . 1 1 66 66 ASN H H 44 7.789 7.789 7.959 -0.170 17995 5824 1 13 . 1 1 67 67 VAL N N 45 124.029 124.029 116.564 7.465 17995 5825 1 13 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.922 -0.304 17995 5826 1 13 . 1 1 67 67 VAL C C 45 177.100 177.100 177.839 -0.739 17995 5827 1 13 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.987 1.379 17995 5828 1 13 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.640 -0.180 17995 5829 1 13 . 1 1 67 67 VAL H H 45 9.055 9.055 7.714 1.341 17995 5830 1 13 . 1 1 68 68 ILE N N 46 121.006 121.006 122.558 -1.552 17995 5831 1 13 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.720 0.068 17995 5832 1 13 . 1 1 68 68 ILE C C 46 177.871 177.871 177.952 -0.081 17995 5833 1 13 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.598 -0.336 17995 5834 1 13 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.633 -1.466 17995 5835 1 13 . 1 1 68 68 ILE H H 46 8.509 8.509 7.835 0.674 17995 5836 1 13 . 1 1 69 69 THR N N 47 116.096 116.096 116.306 -0.210 17995 5837 1 13 . 1 1 69 69 THR HA H 47 4.391 4.391 3.878 0.513 17995 5838 1 13 . 1 1 69 69 THR C C 47 176.365 176.365 176.093 0.272 17995 5839 1 13 . 1 1 69 69 THR CA C 47 66.256 66.256 67.263 -1.007 17995 5840 1 13 . 1 1 69 69 THR CB C 47 69.098 69.098 68.216 0.882 17995 5841 1 13 . 1 1 69 69 THR H H 47 8.512 8.512 7.921 0.591 17995 5842 1 13 . 1 1 70 70 ALA N N 48 123.948 123.948 124.084 -0.136 17995 5843 1 13 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.009 0.294 17995 5844 1 13 . 1 1 70 70 ALA C C 48 181.452 181.452 179.565 1.887 17995 5845 1 13 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.190 -0.007 17995 5846 1 13 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.265 1.157 17995 5847 1 13 . 1 1 70 70 ALA H H 48 7.802 7.802 7.866 -0.064 17995 5848 1 13 . 1 1 71 71 LEU N N 49 121.199 121.199 119.305 1.894 17995 5849 1 13 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.238 -0.015 17995 5850 1 13 . 1 1 71 71 LEU C C 49 178.192 178.192 179.817 -1.625 17995 5851 1 13 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.202 0.359 17995 5852 1 13 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.843 1.608 17995 5853 1 13 . 1 1 71 71 LEU H H 49 8.802 8.802 8.332 0.470 17995 5854 1 13 . 1 1 72 72 GLU N N 50 119.782 119.782 118.660 1.122 17995 5855 1 13 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.108 -0.618 17995 5856 1 13 . 1 1 72 72 GLU C C 50 180.303 180.303 179.920 0.383 17995 5857 1 13 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.196 0.655 17995 5858 1 13 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.950 2.158 17995 5859 1 13 . 1 1 72 72 GLU H H 50 8.762 8.762 8.212 0.550 17995 5860 1 13 . 1 1 73 73 GLU N N 51 116.902 116.902 119.252 -2.350 17995 5861 1 13 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.077 -0.025 17995 5862 1 13 . 1 1 73 73 GLU C C 51 178.334 178.334 179.175 -0.841 17995 5863 1 13 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.612 0.006 17995 5864 1 13 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.277 0.805 17995 5865 1 13 . 1 1 73 73 GLU H H 51 7.953 7.953 7.865 0.088 17995 5866 1 13 . 1 1 74 74 TYR N N 52 119.999 119.999 117.591 2.408 17995 5867 1 13 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.343 -0.461 17995 5868 1 13 . 1 1 74 74 TYR C C 52 177.384 177.384 177.922 -0.538 17995 5869 1 13 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.488 1.112 17995 5870 1 13 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.615 1.030 17995 5871 1 13 . 1 1 74 74 TYR H H 52 8.078 8.078 7.897 0.181 17995 5872 1 13 . 1 1 75 75 PHE N N 53 113.650 113.650 115.205 -1.555 17995 5873 1 13 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.524 -0.338 17995 5874 1 13 . 1 1 75 75 PHE C C 53 174.485 174.485 175.475 -0.990 17995 5875 1 13 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.917 0.327 17995 5876 1 13 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.279 0.761 17995 5877 1 13 . 1 1 75 75 PHE H H 53 8.244 8.244 8.288 -0.044 17995 5878 1 13 . 1 1 76 76 ASP N N 54 119.712 119.712 116.586 3.126 17995 5879 1 13 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.475 -0.095 17995 5880 1 13 . 1 1 76 76 ASP C C 54 174.118 174.118 175.449 -1.331 17995 5881 1 13 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.693 -0.830 17995 5882 1 13 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.106 0.050 17995 5883 1 13 . 1 1 76 76 ASP H H 54 7.596 7.596 8.158 -0.562 17995 5884 1 13 . 1 1 77 77 PHE N N 55 113.804 113.804 115.515 -1.711 17995 5885 1 13 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.947 0.128 17995 5886 1 13 . 1 1 77 77 PHE C C 55 174.384 174.384 173.620 0.764 17995 5887 1 13 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.752 -1.316 17995 5888 1 13 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.632 -1.002 17995 5889 1 13 . 1 1 77 77 PHE H H 55 7.725 7.725 8.057 -0.333 17995 5890 1 13 . 1 1 78 78 SER N N 56 114.319 114.319 115.999 -1.680 17995 5891 1 13 . 1 1 78 78 SER HA H 56 5.149 5.149 4.795 0.354 17995 5892 1 13 . 1 1 78 78 SER C C 56 174.100 174.100 173.022 1.078 17995 5893 1 13 . 1 1 78 78 SER CA C 56 56.800 56.800 56.590 0.209 17995 5894 1 13 . 1 1 78 78 SER CB C 56 65.011 65.011 64.522 0.489 17995 5895 1 13 . 1 1 78 78 SER H H 56 8.727 8.727 8.146 0.581 17995 5896 1 13 . 1 1 79 79 VAL N N 57 128.316 128.316 125.239 3.077 17995 5897 1 13 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.769 0.475 17995 5898 1 13 . 1 1 79 79 VAL C C 57 175.637 175.637 175.486 0.151 17995 5899 1 13 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.099 -1.345 17995 5900 1 13 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.223 0.650 17995 5901 1 13 . 1 1 79 79 VAL H H 57 10.222 10.222 8.117 2.105 17995 5902 1 13 . 1 1 80 80 ASP N N 58 130.058 130.058 126.851 3.207 17995 5903 1 13 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.562 0.284 17995 5904 1 13 . 1 1 80 80 ASP C C 58 177.205 177.205 176.671 0.534 17995 5905 1 13 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.254 -0.778 17995 5906 1 13 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.637 -0.972 17995 5907 1 13 . 1 1 80 80 ASP H H 58 9.396 9.396 8.412 0.984 17995 5908 1 13 . 1 1 81 81 ASP N N 59 122.564 122.564 125.035 -2.471 17995 5909 1 13 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.453 -0.173 17995 5910 1 13 . 1 1 81 81 ASP C C 59 177.291 177.291 177.082 0.209 17995 5911 1 13 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.845 0.615 17995 5912 1 13 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.163 -0.433 17995 5913 1 13 . 1 1 81 81 ASP H H 59 8.696 8.696 8.831 -0.135 17995 5914 1 13 . 1 1 82 82 ASP N N 60 115.817 115.817 118.393 -2.576 17995 5915 1 13 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.588 -0.029 17995 5916 1 13 . 1 1 82 82 ASP C C 60 176.939 176.939 176.839 0.100 17995 5917 1 13 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.756 -0.895 17995 5918 1 13 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.993 -0.578 17995 5919 1 13 . 1 1 82 82 ASP H H 60 8.460 8.460 8.063 0.397 17995 5920 1 13 . 1 1 83 83 GLU N N 61 118.478 118.478 118.351 0.127 17995 5921 1 13 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.373 -0.072 17995 5922 1 13 . 1 1 83 83 GLU C C 61 175.841 175.841 176.897 -1.056 17995 5923 1 13 . 1 1 83 83 GLU CA C 61 57.304 57.304 57.025 0.279 17995 5924 1 13 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.780 0.711 17995 5925 1 13 . 1 1 83 83 GLU H H 61 7.903 7.903 7.793 0.110 17995 5926 1 13 . 1 1 84 84 ILE N N 62 117.759 117.759 122.190 -4.431 17995 5927 1 13 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.984 0.181 17995 5928 1 13 . 1 1 84 84 ILE C C 62 174.069 174.069 175.616 -1.547 17995 5929 1 13 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.208 -2.714 17995 5930 1 13 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.041 2.094 17995 5931 1 13 . 1 1 84 84 ILE H H 62 7.396 7.396 7.407 -0.011 17995 5932 1 13 . 1 1 85 85 SER N N 63 119.980 119.980 122.335 -2.355 17995 5933 1 13 . 1 1 85 85 SER HA H 63 4.789 4.789 4.715 0.074 17995 5934 1 13 . 1 1 85 85 SER CA C 63 56.772 56.772 56.411 0.361 17995 5935 1 13 . 1 1 85 85 SER CB C 63 66.916 66.916 65.948 0.968 17995 5936 1 13 . 1 1 85 85 SER H H 63 8.384 8.384 8.404 -0.020 17995 5937 1 13 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.385 -0.358 17995 5938 1 13 . 1 1 86 86 ALA C C 64 180.211 180.211 179.834 0.377 17995 5939 1 13 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.512 0.989 17995 5940 1 13 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.856 -0.846 17995 5941 1 13 . 1 1 87 87 GLN N N 65 116.123 116.123 116.759 -0.636 17995 5942 1 13 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.225 -0.160 17995 5943 1 13 . 1 1 87 87 GLN C C 65 178.564 178.564 178.175 0.389 17995 5944 1 13 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.401 1.338 17995 5945 1 13 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.898 0.545 17995 5946 1 13 . 1 1 87 87 GLN H H 65 7.990 7.990 7.909 0.081 17995 5947 1 13 . 1 1 88 88 THR N N 66 119.153 119.153 117.230 1.923 17995 5948 1 13 . 1 1 88 88 THR HA H 66 3.631 3.631 3.706 -0.075 17995 5949 1 13 . 1 1 88 88 THR C C 66 174.748 174.748 175.057 -0.309 17995 5950 1 13 . 1 1 88 88 THR CA C 66 66.591 66.591 65.550 1.041 17995 5951 1 13 . 1 1 88 88 THR CB C 66 68.702 68.702 68.452 0.250 17995 5952 1 13 . 1 1 88 88 THR H H 66 7.738 7.738 7.284 0.454 17995 5953 1 13 . 1 1 89 89 PHE N N 67 115.088 115.088 118.108 -3.020 17995 5954 1 13 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.569 -0.332 17995 5955 1 13 . 1 1 89 89 PHE C C 67 173.600 173.600 176.086 -2.486 17995 5956 1 13 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.625 -0.103 17995 5957 1 13 . 1 1 89 89 PHE CB C 67 39.706 39.706 37.800 1.906 17995 5958 1 13 . 1 1 89 89 PHE H H 67 7.180 7.180 7.697 -0.517 17995 5959 1 13 . 1 1 90 90 GLU N N 68 122.222 122.222 119.176 3.046 17995 5960 1 13 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.086 0.081 17995 5961 1 13 . 1 1 90 90 GLU C C 68 178.581 178.581 176.888 1.693 17995 5962 1 13 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.237 1.489 17995 5963 1 13 . 1 1 90 90 GLU CB C 68 30.748 30.748 30.028 0.720 17995 5964 1 13 . 1 1 90 90 GLU H H 68 7.421 7.421 7.621 -0.200 17995 5965 1 13 . 1 1 91 91 THR N N 69 106.383 106.383 108.513 -2.130 17995 5966 1 13 . 1 1 91 91 THR HA H 69 5.477 5.477 4.855 0.622 17995 5967 1 13 . 1 1 91 91 THR C C 69 174.775 174.775 174.329 0.446 17995 5968 1 13 . 1 1 91 91 THR CA C 69 58.798 58.798 59.504 -0.706 17995 5969 1 13 . 1 1 91 91 THR CB C 69 74.841 74.841 72.899 1.942 17995 5970 1 13 . 1 1 91 91 THR H H 69 8.534 8.534 7.324 1.210 17995 5971 1 13 . 1 1 92 92 LEU N N 70 120.326 120.326 123.017 -2.691 17995 5972 1 13 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.091 0.052 17995 5973 1 13 . 1 1 92 92 LEU C C 70 178.174 178.174 178.108 0.066 17995 5974 1 13 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.822 0.444 17995 5975 1 13 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.033 -1.163 17995 5976 1 13 . 1 1 92 92 LEU H H 70 7.991 7.991 8.782 -0.791 17995 5977 1 13 . 1 1 93 93 GLY N N 71 106.588 106.588 104.421 2.167 17995 5978 1 13 . 1 1 93 93 GLY C C 71 175.300 175.300 175.896 -0.596 17995 5979 1 13 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.401 -0.064 17995 5980 1 13 . 1 1 93 93 GLY H H 71 9.019 9.019 8.389 0.630 17995 5981 1 13 . 1 1 94 94 SER N N 72 120.200 120.200 118.594 1.606 17995 5982 1 13 . 1 1 94 94 SER HA H 72 4.090 4.090 4.285 -0.195 17995 5983 1 13 . 1 1 94 94 SER C C 72 177.631 177.631 176.319 1.312 17995 5984 1 13 . 1 1 94 94 SER CA C 72 62.329 62.329 62.220 0.109 17995 5985 1 13 . 1 1 94 94 SER H H 72 8.709 8.709 7.328 1.381 17995 5986 1 13 . 1 1 95 95 LEU N N 73 129.169 129.169 121.100 8.069 17995 5987 1 13 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.779 0.461 17995 5988 1 13 . 1 1 95 95 LEU C C 73 176.439 176.439 178.817 -2.378 17995 5989 1 13 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.910 0.892 17995 5990 1 13 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.232 1.627 17995 5991 1 13 . 1 1 95 95 LEU H H 73 7.800 7.800 7.274 0.526 17995 5992 1 13 . 1 1 96 96 ALA N N 74 121.721 121.721 122.518 -0.797 17995 5993 1 13 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.915 0.074 17995 5994 1 13 . 1 1 96 96 ALA C C 74 180.456 180.456 179.537 0.919 17995 5995 1 13 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.249 0.453 17995 5996 1 13 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.363 -0.648 17995 5997 1 13 . 1 1 96 96 ALA H H 74 8.612 8.612 8.310 0.302 17995 5998 1 13 . 1 1 97 97 LEU N N 75 122.095 122.095 119.148 2.947 17995 5999 1 13 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.892 0.165 17995 6000 1 13 . 1 1 97 97 LEU C C 75 178.805 178.805 179.197 -0.392 17995 6001 1 13 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.580 0.189 17995 6002 1 13 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.384 1.438 17995 6003 1 13 . 1 1 97 97 LEU H H 75 8.777 8.777 7.943 0.834 17995 6004 1 13 . 1 1 98 98 PHE N N 76 122.741 122.741 117.928 4.813 17995 6005 1 13 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.028 0.234 17995 6006 1 13 . 1 1 98 98 PHE C C 76 176.878 176.878 178.732 -1.854 17995 6007 1 13 . 1 1 98 98 PHE CA C 76 61.232 61.232 61.552 -0.320 17995 6008 1 13 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.320 0.229 17995 6009 1 13 . 1 1 98 98 PHE H H 76 7.889 7.889 8.120 -0.231 17995 6010 1 13 . 1 1 99 99 VAL N N 77 119.641 119.641 115.548 4.093 17995 6011 1 13 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.641 -0.863 17995 6012 1 13 . 1 1 99 99 VAL C C 77 176.414 176.414 177.731 -1.317 17995 6013 1 13 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.467 0.501 17995 6014 1 13 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.117 0.069 17995 6015 1 13 . 1 1 99 99 VAL H H 77 7.599 7.599 8.045 -0.446 17995 6016 1 13 . 1 1 100 100 GLU N N 78 118.850 118.850 120.457 -1.607 17995 6017 1 13 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.246 -0.473 17995 6018 1 13 . 1 1 100 100 GLU C C 78 179.007 179.007 178.659 0.348 17995 6019 1 13 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.099 0.441 17995 6020 1 13 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.558 0.220 17995 6021 1 13 . 1 1 100 100 GLU H H 78 7.740 7.740 8.082 -0.342 17995 6022 1 13 . 1 1 101 101 HIS N N 79 120.328 120.328 117.881 2.447 17995 6023 1 13 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.446 -0.245 17995 6024 1 13 . 1 1 101 101 HIS C C 79 178.242 178.242 177.840 0.402 17995 6025 1 13 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.223 1.015 17995 6026 1 13 . 1 1 101 101 HIS CB C 79 29.938 29.938 30.069 -0.131 17995 6027 1 13 . 1 1 101 101 HIS H H 79 8.354 8.354 7.960 0.394 17995 6028 1 13 . 1 1 102 102 LYS N N 80 121.044 121.044 120.080 0.964 17995 6029 1 13 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.262 -0.695 17995 6030 1 13 . 1 1 102 102 LYS C C 80 179.199 179.199 178.504 0.695 17995 6031 1 13 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.163 -1.176 17995 6032 1 13 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.303 -2.127 17995 6033 1 13 . 1 1 102 102 LYS H H 80 7.908 7.908 7.779 0.129 17995 6034 1 13 . 1 1 103 103 LEU N N 81 118.698 118.698 118.246 0.452 17995 6035 1 13 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.338 -0.180 17995 6036 1 13 . 1 1 103 103 LEU C C 81 178.593 178.593 178.725 -0.132 17995 6037 1 13 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.877 0.519 17995 6038 1 13 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.126 1.183 17995 6039 1 13 . 1 1 103 103 LEU H H 81 7.784 7.784 8.131 -0.347 17995 6040 1 13 . 1 1 104 104 SER N N 82 114.826 114.826 112.858 1.968 17995 6041 1 13 . 1 1 104 104 SER HA H 82 4.358 4.358 4.316 0.042 17995 6042 1 13 . 1 1 104 104 SER C C 82 174.810 174.810 174.127 0.683 17995 6043 1 13 . 1 1 104 104 SER CA C 82 59.567 59.567 59.481 0.086 17995 6044 1 13 . 1 1 104 104 SER CB C 82 63.859 63.859 64.045 -0.186 17995 6045 1 13 . 1 1 104 104 SER H H 82 7.738 7.738 8.090 -0.352 17995 6046 1 14 . 1 1 24 24 GLN N N 2 121.730 121.730 122.834 -1.104 17995 6047 1 14 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.396 -0.434 17995 6048 1 14 . 1 1 24 24 GLN C C 2 177.291 177.291 177.422 -0.131 17995 6049 1 14 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.179 1.212 17995 6050 1 14 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.396 -0.686 17995 6051 1 14 . 1 1 24 24 GLN H H 2 8.511 8.511 9.239 -0.728 17995 6052 1 14 . 1 1 25 25 HIS N N 3 116.878 116.878 120.221 -3.343 17995 6053 1 14 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.637 0.466 17995 6054 1 14 . 1 1 25 25 HIS C C 3 175.501 175.501 177.423 -1.922 17995 6055 1 14 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.569 -2.222 17995 6056 1 14 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.947 0.680 17995 6057 1 14 . 1 1 25 25 HIS H H 3 8.216 8.216 8.510 -0.294 17995 6058 1 14 . 1 1 26 26 LEU N N 4 121.540 121.540 118.985 2.555 17995 6059 1 14 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.082 -0.389 17995 6060 1 14 . 1 1 26 26 LEU C C 4 177.649 177.649 178.413 -0.764 17995 6061 1 14 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.125 1.578 17995 6062 1 14 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.257 1.078 17995 6063 1 14 . 1 1 26 26 LEU H H 4 7.447 7.447 8.054 -0.607 17995 6064 1 14 . 1 1 27 27 GLU N N 5 118.441 118.441 120.143 -1.702 17995 6065 1 14 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.966 -0.075 17995 6066 1 14 . 1 1 27 27 GLU C C 5 178.162 178.162 178.233 -0.071 17995 6067 1 14 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.159 0.463 17995 6068 1 14 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.118 -0.041 17995 6069 1 14 . 1 1 27 27 GLU H H 5 8.561 8.561 7.852 0.709 17995 6070 1 14 . 1 1 28 28 ALA N N 6 122.005 122.005 121.395 0.610 17995 6071 1 14 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.243 -0.111 17995 6072 1 14 . 1 1 28 28 ALA C C 6 180.421 180.421 180.123 0.298 17995 6073 1 14 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.754 0.525 17995 6074 1 14 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.236 0.530 17995 6075 1 14 . 1 1 28 28 ALA H H 6 8.205 8.205 7.653 0.552 17995 6076 1 14 . 1 1 29 29 VAL N N 7 116.985 116.985 119.997 -3.012 17995 6077 1 14 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.778 -0.269 17995 6078 1 14 . 1 1 29 29 VAL C C 7 177.034 177.034 177.730 -0.696 17995 6079 1 14 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.727 0.636 17995 6080 1 14 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.169 0.270 17995 6081 1 14 . 1 1 29 29 VAL H H 7 8.392 8.392 8.009 0.383 17995 6082 1 14 . 1 1 30 30 ARG N N 8 121.674 121.674 119.221 2.453 17995 6083 1 14 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.057 -0.393 17995 6084 1 14 . 1 1 30 30 ARG C C 8 177.810 177.810 178.646 -0.836 17995 6085 1 14 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.276 1.249 17995 6086 1 14 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.454 1.212 17995 6087 1 14 . 1 1 30 30 ARG H H 8 8.784 8.784 8.205 0.579 17995 6088 1 14 . 1 1 31 31 ASN N N 9 118.102 118.102 118.416 -0.314 17995 6089 1 14 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.524 -0.240 17995 6090 1 14 . 1 1 31 31 ASN C C 9 177.890 177.890 177.157 0.733 17995 6091 1 14 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.973 0.281 17995 6092 1 14 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.312 -0.724 17995 6093 1 14 . 1 1 31 31 ASN H H 9 8.144 8.144 7.854 0.290 17995 6094 1 14 . 1 1 32 32 ILE N N 10 123.614 123.614 120.665 2.949 17995 6095 1 14 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.555 0.237 17995 6096 1 14 . 1 1 32 32 ILE C C 10 177.810 177.810 177.894 -0.084 17995 6097 1 14 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.462 -0.204 17995 6098 1 14 . 1 1 32 32 ILE CB C 10 38.734 38.734 38.093 0.641 17995 6099 1 14 . 1 1 32 32 ILE H H 10 8.137 8.137 7.725 0.412 17995 6100 1 14 . 1 1 33 33 LEU N N 11 119.797 119.797 119.016 0.781 17995 6101 1 14 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.128 -0.342 17995 6102 1 14 . 1 1 33 33 LEU C C 11 179.039 179.039 179.260 -0.221 17995 6103 1 14 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.300 0.410 17995 6104 1 14 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.087 0.990 17995 6105 1 14 . 1 1 33 33 LEU H H 11 8.637 8.637 8.461 0.176 17995 6106 1 14 . 1 1 34 34 GLY N N 12 103.682 103.682 106.835 -3.153 17995 6107 1 14 . 1 1 34 34 GLY C C 12 175.242 175.242 175.883 -0.641 17995 6108 1 14 . 1 1 34 34 GLY CA C 12 47.718 47.718 47.120 0.598 17995 6109 1 14 . 1 1 34 34 GLY H H 12 8.513 8.513 8.209 0.304 17995 6110 1 14 . 1 1 35 35 ASP N N 13 122.235 122.235 121.670 0.565 17995 6111 1 14 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.503 0.082 17995 6112 1 14 . 1 1 35 35 ASP C C 13 179.013 179.013 178.182 0.831 17995 6113 1 14 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.587 0.329 17995 6114 1 14 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.136 -0.090 17995 6115 1 14 . 1 1 35 35 ASP H H 13 7.968 7.968 7.699 0.269 17995 6116 1 14 . 1 1 36 36 VAL N N 14 120.841 120.841 119.962 0.879 17995 6117 1 14 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.800 -0.123 17995 6118 1 14 . 1 1 36 36 VAL C C 14 177.797 177.797 177.838 -0.041 17995 6119 1 14 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.603 0.401 17995 6120 1 14 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.190 0.042 17995 6121 1 14 . 1 1 36 36 VAL H H 14 8.765 8.765 8.001 0.764 17995 6122 1 14 . 1 1 37 37 LEU N N 15 114.630 114.630 116.027 -1.397 17995 6123 1 14 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.386 -0.105 17995 6124 1 14 . 1 1 37 37 LEU C C 15 175.483 175.483 176.530 -1.047 17995 6125 1 14 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.312 -0.142 17995 6126 1 14 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.703 -0.009 17995 6127 1 14 . 1 1 37 37 LEU H H 15 7.942 7.942 7.931 0.011 17995 6128 1 14 . 1 1 38 38 ASN N N 16 116.887 116.887 115.893 0.994 17995 6129 1 14 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.520 0.014 17995 6130 1 14 . 1 1 38 38 ASN C C 16 175.668 175.668 175.569 0.099 17995 6131 1 14 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.709 0.211 17995 6132 1 14 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.502 -0.644 17995 6133 1 14 . 1 1 38 38 ASN H H 16 7.561 7.561 8.002 -0.441 17995 6134 1 14 . 1 1 39 39 LEU N N 17 114.676 114.676 117.636 -2.960 17995 6135 1 14 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.182 -0.112 17995 6136 1 14 . 1 1 39 39 LEU C C 17 178.415 178.415 178.438 -0.023 17995 6137 1 14 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.661 0.083 17995 6138 1 14 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.532 1.744 17995 6139 1 14 . 1 1 39 39 LEU H H 17 8.233 8.233 7.962 0.271 17995 6140 1 14 . 1 1 40 40 GLY N N 18 109.665 109.665 106.710 2.955 17995 6141 1 14 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.882 -0.577 17995 6142 1 14 . 1 1 40 40 GLY H H 18 8.678 8.678 7.840 0.838 17995 6143 1 14 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.319 -0.191 17995 6144 1 14 . 1 1 41 41 GLU C C 19 178.328 178.328 178.084 0.244 17995 6145 1 14 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.799 1.465 17995 6146 1 14 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.850 -0.770 17995 6147 1 14 . 1 1 42 42 ARG N N 20 118.936 118.936 120.866 -1.930 17995 6148 1 14 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.068 0.107 17995 6149 1 14 . 1 1 42 42 ARG C C 20 178.912 178.912 177.624 1.288 17995 6150 1 14 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.855 -0.618 17995 6151 1 14 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.308 -0.252 17995 6152 1 14 . 1 1 42 42 ARG H H 20 7.979 7.979 7.955 0.024 17995 6153 1 14 . 1 1 43 43 LYS N N 21 119.087 119.087 116.327 2.760 17995 6154 1 14 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.140 -0.392 17995 6155 1 14 . 1 1 43 43 LYS C C 21 176.559 176.559 177.921 -1.362 17995 6156 1 14 . 1 1 43 43 LYS CA C 21 59.098 59.098 59.078 0.020 17995 6157 1 14 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.505 0.476 17995 6158 1 14 . 1 1 43 43 LYS H H 21 7.719 7.719 8.222 -0.503 17995 6159 1 14 . 1 1 44 44 HIS N N 22 115.571 115.571 118.042 -2.471 17995 6160 1 14 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.399 0.029 17995 6161 1 14 . 1 1 44 44 HIS C C 22 176.288 176.288 176.182 0.106 17995 6162 1 14 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.466 -0.682 17995 6163 1 14 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.363 0.107 17995 6164 1 14 . 1 1 44 44 HIS H H 22 7.124 7.124 7.467 -0.343 17995 6165 1 14 . 1 1 45 45 THR N N 23 107.890 107.890 112.405 -4.515 17995 6166 1 14 . 1 1 45 45 THR HA H 23 4.355 4.355 4.045 0.309 17995 6167 1 14 . 1 1 45 45 THR C C 23 174.650 174.650 175.131 -0.481 17995 6168 1 14 . 1 1 45 45 THR CA C 23 61.627 61.627 63.005 -1.378 17995 6169 1 14 . 1 1 45 45 THR CB C 23 69.475 69.475 69.251 0.224 17995 6170 1 14 . 1 1 45 45 THR H H 23 7.441 7.441 7.627 -0.186 17995 6171 1 14 . 1 1 46 46 LEU N N 24 121.435 121.435 120.276 1.159 17995 6172 1 14 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.654 -0.031 17995 6173 1 14 . 1 1 46 46 LEU C C 24 176.537 176.537 175.844 0.693 17995 6174 1 14 . 1 1 46 46 LEU CA C 24 54.590 54.590 54.496 0.094 17995 6175 1 14 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.492 0.625 17995 6176 1 14 . 1 1 46 46 LEU H H 24 7.059 7.059 7.436 -0.377 17995 6177 1 14 . 1 1 47 47 THR N N 25 116.104 116.104 114.966 1.138 17995 6178 1 14 . 1 1 47 47 THR HA H 25 4.605 4.605 4.530 0.075 17995 6179 1 14 . 1 1 47 47 THR C C 25 175.526 175.526 175.769 -0.243 17995 6180 1 14 . 1 1 47 47 THR CA C 25 59.878 59.878 60.118 -0.240 17995 6181 1 14 . 1 1 47 47 THR CB C 25 71.752 71.752 71.167 0.585 17995 6182 1 14 . 1 1 47 47 THR H H 25 9.432 9.432 7.885 1.547 17995 6183 1 14 . 1 1 48 48 ALA N N 26 122.234 122.234 122.333 -0.099 17995 6184 1 14 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.201 -0.392 17995 6185 1 14 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.303 0.290 17995 6186 1 14 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.652 0.002 17995 6187 1 14 . 1 1 48 48 ALA H H 26 9.142 9.142 8.592 0.550 17995 6188 1 14 . 1 1 49 49 SER HA H 27 4.448 4.448 4.450 -0.002 17995 6189 1 14 . 1 1 49 49 SER C C 27 174.637 174.637 174.240 0.397 17995 6190 1 14 . 1 1 49 49 SER CA C 27 58.348 58.348 59.010 -0.661 17995 6191 1 14 . 1 1 49 49 SER CB C 27 63.704 63.704 62.835 0.869 17995 6192 1 14 . 1 1 50 50 SER N N 28 122.032 122.032 117.054 4.978 17995 6193 1 14 . 1 1 50 50 SER HA H 28 4.269 4.269 4.561 -0.292 17995 6194 1 14 . 1 1 50 50 SER C C 28 172.904 172.904 173.066 -0.162 17995 6195 1 14 . 1 1 50 50 SER CA C 28 60.846 60.846 57.171 3.675 17995 6196 1 14 . 1 1 50 50 SER CB C 28 63.063 63.063 64.880 -1.817 17995 6197 1 14 . 1 1 50 50 SER H H 28 8.157 8.157 7.413 0.744 17995 6198 1 14 . 1 1 51 51 VAL N N 29 127.079 127.079 125.126 1.953 17995 6199 1 14 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.273 0.069 17995 6200 1 14 . 1 1 51 51 VAL C C 29 176.612 176.612 175.656 0.956 17995 6201 1 14 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.802 -0.354 17995 6202 1 14 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.874 -0.649 17995 6203 1 14 . 1 1 51 51 VAL H H 29 8.505 8.505 8.521 -0.016 17995 6204 1 14 . 1 1 52 52 LEU N N 30 126.014 126.014 125.974 0.040 17995 6205 1 14 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.664 0.131 17995 6206 1 14 . 1 1 52 52 LEU C C 30 176.569 176.569 176.715 -0.146 17995 6207 1 14 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.581 -1.049 17995 6208 1 14 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.906 -1.902 17995 6209 1 14 . 1 1 52 52 LEU H H 30 7.954 7.954 8.505 -0.551 17995 6210 1 14 . 1 1 53 53 LEU N N 31 122.601 122.601 120.714 1.887 17995 6211 1 14 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.987 0.099 17995 6212 1 14 . 1 1 53 53 LEU C C 31 177.683 177.683 177.368 0.315 17995 6213 1 14 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.951 0.423 17995 6214 1 14 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.881 -0.062 17995 6215 1 14 . 1 1 53 53 LEU H H 31 7.777 7.777 7.890 -0.113 17995 6216 1 14 . 1 1 54 54 GLY N N 32 114.941 114.941 115.292 -0.351 17995 6217 1 14 . 1 1 54 54 GLY C C 32 173.612 173.612 174.248 -0.636 17995 6218 1 14 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.626 -0.068 17995 6219 1 14 . 1 1 54 54 GLY H H 32 9.121 9.121 9.012 0.109 17995 6220 1 14 . 1 1 55 55 ASN N N 33 117.901 117.901 120.325 -2.424 17995 6221 1 14 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.809 0.121 17995 6222 1 14 . 1 1 55 55 ASN C C 33 174.458 174.458 175.766 -1.308 17995 6223 1 14 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.099 -0.280 17995 6224 1 14 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.672 1.875 17995 6225 1 14 . 1 1 55 55 ASN H H 33 7.789 7.789 7.844 -0.055 17995 6226 1 14 . 1 1 56 56 ILE N N 34 120.163 120.163 122.106 -1.943 17995 6227 1 14 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.465 0.072 17995 6228 1 14 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.851 0.150 17995 6229 1 14 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.348 1.745 17995 6230 1 14 . 1 1 56 56 ILE H H 34 7.703 7.703 8.150 -0.447 17995 6231 1 14 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.474 -0.301 17995 6232 1 14 . 1 1 57 57 PRO C C 35 177.969 177.969 176.788 1.181 17995 6233 1 14 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.166 1.110 17995 6234 1 14 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.996 -0.062 17995 6235 1 14 . 1 1 58 58 GLU N N 36 116.701 116.701 116.650 0.051 17995 6236 1 14 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.424 -0.452 17995 6237 1 14 . 1 1 58 58 GLU C C 36 176.612 176.612 175.315 1.297 17995 6238 1 14 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.137 3.210 17995 6239 1 14 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.498 0.334 17995 6240 1 14 . 1 1 58 58 GLU H H 36 9.581 9.581 8.261 1.320 17995 6241 1 14 . 1 1 59 59 LEU N N 37 121.189 121.189 124.113 -2.924 17995 6242 1 14 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.294 0.018 17995 6243 1 14 . 1 1 59 59 LEU C C 37 173.353 173.353 175.768 -2.415 17995 6244 1 14 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.770 -1.492 17995 6245 1 14 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.509 0.490 17995 6246 1 14 . 1 1 59 59 LEU H H 37 7.560 7.560 7.302 0.258 17995 6247 1 14 . 1 1 60 60 ASP N N 38 126.468 126.468 124.463 2.005 17995 6248 1 14 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.734 -0.019 17995 6249 1 14 . 1 1 60 60 ASP C C 38 175.828 175.828 176.766 -0.938 17995 6250 1 14 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.034 -1.114 17995 6251 1 14 . 1 1 60 60 ASP CB C 38 41.556 41.556 42.020 -0.465 17995 6252 1 14 . 1 1 60 60 ASP H H 38 7.527 7.527 7.635 -0.108 17995 6253 1 14 . 1 1 61 61 SER N N 39 113.128 113.128 114.229 -1.101 17995 6254 1 14 . 1 1 61 61 SER HA H 39 4.019 4.019 4.158 -0.139 17995 6255 1 14 . 1 1 61 61 SER C C 39 175.854 175.854 176.797 -0.943 17995 6256 1 14 . 1 1 61 61 SER CA C 39 61.276 61.276 61.393 -0.117 17995 6257 1 14 . 1 1 61 61 SER CB C 39 65.520 65.520 62.951 2.569 17995 6258 1 14 . 1 1 61 61 SER H H 39 8.623 8.623 8.369 0.254 17995 6259 1 14 . 1 1 62 62 MET N N 40 121.706 121.706 118.918 2.788 17995 6260 1 14 . 1 1 62 62 MET HA H 40 4.303 4.303 4.350 -0.047 17995 6261 1 14 . 1 1 62 62 MET C C 40 177.755 177.755 178.228 -0.473 17995 6262 1 14 . 1 1 62 62 MET CA C 40 57.714 57.714 56.024 1.690 17995 6263 1 14 . 1 1 62 62 MET CB C 40 32.386 32.386 31.177 1.209 17995 6264 1 14 . 1 1 62 62 MET H H 40 7.802 7.802 8.043 -0.241 17995 6265 1 14 . 1 1 63 63 ALA N N 41 124.277 124.277 122.786 1.491 17995 6266 1 14 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.074 0.097 17995 6267 1 14 . 1 1 63 63 ALA C C 41 179.893 179.893 179.316 0.577 17995 6268 1 14 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.151 -0.050 17995 6269 1 14 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.019 1.637 17995 6270 1 14 . 1 1 63 63 ALA H H 41 8.295 8.295 7.783 0.512 17995 6271 1 14 . 1 1 64 64 VAL N N 42 118.186 118.186 115.277 2.909 17995 6272 1 14 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.247 -0.254 17995 6273 1 14 . 1 1 64 64 VAL C C 42 177.327 177.327 177.447 -0.120 17995 6274 1 14 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.665 1.647 17995 6275 1 14 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.253 -0.061 17995 6276 1 14 . 1 1 64 64 VAL H H 42 8.019 8.019 7.586 0.433 17995 6277 1 14 . 1 1 65 65 VAL N N 43 118.361 118.361 120.524 -2.163 17995 6278 1 14 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.467 0.097 17995 6279 1 14 . 1 1 65 65 VAL C C 43 178.520 178.520 178.117 0.403 17995 6280 1 14 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.491 0.066 17995 6281 1 14 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.253 0.247 17995 6282 1 14 . 1 1 65 65 VAL H H 43 6.942 6.942 7.184 -0.242 17995 6283 1 14 . 1 1 66 66 ASN N N 44 119.476 119.476 118.708 0.768 17995 6284 1 14 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.487 0.075 17995 6285 1 14 . 1 1 66 66 ASN C C 44 178.760 178.760 178.064 0.696 17995 6286 1 14 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.279 -0.443 17995 6287 1 14 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.281 -0.474 17995 6288 1 14 . 1 1 66 66 ASN H H 44 7.789 7.789 8.030 -0.241 17995 6289 1 14 . 1 1 67 67 VAL N N 45 124.029 124.029 117.956 6.073 17995 6290 1 14 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.990 -0.372 17995 6291 1 14 . 1 1 67 67 VAL C C 45 177.100 177.100 177.619 -0.519 17995 6292 1 14 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.838 1.528 17995 6293 1 14 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.358 0.102 17995 6294 1 14 . 1 1 67 67 VAL H H 45 9.055 9.055 7.761 1.294 17995 6295 1 14 . 1 1 68 68 ILE N N 46 121.006 121.006 122.246 -1.240 17995 6296 1 14 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.773 0.015 17995 6297 1 14 . 1 1 68 68 ILE C C 46 177.871 177.871 177.953 -0.082 17995 6298 1 14 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.885 -0.623 17995 6299 1 14 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.407 -1.240 17995 6300 1 14 . 1 1 68 68 ILE H H 46 8.509 8.509 7.792 0.717 17995 6301 1 14 . 1 1 69 69 THR N N 47 116.096 116.096 115.639 0.457 17995 6302 1 14 . 1 1 69 69 THR HA H 47 4.391 4.391 3.923 0.468 17995 6303 1 14 . 1 1 69 69 THR C C 47 176.365 176.365 176.345 0.020 17995 6304 1 14 . 1 1 69 69 THR CA C 47 66.256 66.256 66.584 -0.328 17995 6305 1 14 . 1 1 69 69 THR CB C 47 69.098 69.098 68.332 0.766 17995 6306 1 14 . 1 1 69 69 THR H H 47 8.512 8.512 7.807 0.705 17995 6307 1 14 . 1 1 70 70 ALA N N 48 123.948 123.948 124.693 -0.745 17995 6308 1 14 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.111 0.192 17995 6309 1 14 . 1 1 70 70 ALA C C 48 181.452 181.452 179.778 1.674 17995 6310 1 14 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.349 -0.166 17995 6311 1 14 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.192 1.230 17995 6312 1 14 . 1 1 70 70 ALA H H 48 7.802 7.802 8.037 -0.235 17995 6313 1 14 . 1 1 71 71 LEU N N 49 121.199 121.199 119.081 2.118 17995 6314 1 14 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.300 -0.077 17995 6315 1 14 . 1 1 71 71 LEU C C 49 178.192 178.192 179.654 -1.462 17995 6316 1 14 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.420 0.141 17995 6317 1 14 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.926 1.525 17995 6318 1 14 . 1 1 71 71 LEU H H 49 8.802 8.802 8.167 0.635 17995 6319 1 14 . 1 1 72 72 GLU N N 50 119.782 119.782 118.404 1.378 17995 6320 1 14 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.886 -0.396 17995 6321 1 14 . 1 1 72 72 GLU C C 50 180.303 180.303 179.886 0.417 17995 6322 1 14 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.128 0.723 17995 6323 1 14 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.841 2.267 17995 6324 1 14 . 1 1 72 72 GLU H H 50 8.762 8.762 8.052 0.710 17995 6325 1 14 . 1 1 73 73 GLU N N 51 116.902 116.902 119.253 -2.351 17995 6326 1 14 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.105 -0.053 17995 6327 1 14 . 1 1 73 73 GLU C C 51 178.334 178.334 179.020 -0.686 17995 6328 1 14 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.481 0.137 17995 6329 1 14 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.334 0.748 17995 6330 1 14 . 1 1 73 73 GLU H H 51 7.953 7.953 7.849 0.104 17995 6331 1 14 . 1 1 74 74 TYR N N 52 119.999 119.999 117.134 2.865 17995 6332 1 14 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.339 -0.457 17995 6333 1 14 . 1 1 74 74 TYR C C 52 177.384 177.384 177.964 -0.580 17995 6334 1 14 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.874 0.726 17995 6335 1 14 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.693 0.952 17995 6336 1 14 . 1 1 74 74 TYR H H 52 8.078 8.078 7.983 0.095 17995 6337 1 14 . 1 1 75 75 PHE N N 53 113.650 113.650 115.149 -1.499 17995 6338 1 14 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.602 -0.416 17995 6339 1 14 . 1 1 75 75 PHE C C 53 174.485 174.485 175.099 -0.614 17995 6340 1 14 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.913 0.331 17995 6341 1 14 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.390 0.650 17995 6342 1 14 . 1 1 75 75 PHE H H 53 8.244 8.244 8.113 0.131 17995 6343 1 14 . 1 1 76 76 ASP N N 54 119.712 119.712 117.055 2.657 17995 6344 1 14 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.487 -0.107 17995 6345 1 14 . 1 1 76 76 ASP C C 54 174.118 174.118 175.577 -1.459 17995 6346 1 14 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.684 -0.822 17995 6347 1 14 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.156 -0.000 17995 6348 1 14 . 1 1 76 76 ASP H H 54 7.596 7.596 8.031 -0.435 17995 6349 1 14 . 1 1 77 77 PHE N N 55 113.804 113.804 114.317 -0.513 17995 6350 1 14 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.977 0.098 17995 6351 1 14 . 1 1 77 77 PHE C C 55 174.384 174.384 173.809 0.575 17995 6352 1 14 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.565 -1.129 17995 6353 1 14 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.604 -0.974 17995 6354 1 14 . 1 1 77 77 PHE H H 55 7.725 7.725 8.080 -0.355 17995 6355 1 14 . 1 1 78 78 SER N N 56 114.319 114.319 115.195 -0.876 17995 6356 1 14 . 1 1 78 78 SER HA H 56 5.149 5.149 4.530 0.619 17995 6357 1 14 . 1 1 78 78 SER C C 56 174.100 174.100 173.362 0.738 17995 6358 1 14 . 1 1 78 78 SER CA C 56 56.800 56.800 55.816 0.984 17995 6359 1 14 . 1 1 78 78 SER CB C 56 65.011 65.011 64.493 0.518 17995 6360 1 14 . 1 1 78 78 SER H H 56 8.727 8.727 8.156 0.571 17995 6361 1 14 . 1 1 79 79 VAL N N 57 128.316 128.316 128.026 0.290 17995 6362 1 14 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.074 0.170 17995 6363 1 14 . 1 1 79 79 VAL C C 57 175.637 175.637 175.707 -0.070 17995 6364 1 14 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.307 -0.553 17995 6365 1 14 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.435 0.438 17995 6366 1 14 . 1 1 79 79 VAL H H 57 10.222 10.222 8.165 2.057 17995 6367 1 14 . 1 1 80 80 ASP N N 58 130.058 130.058 126.779 3.279 17995 6368 1 14 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.584 0.262 17995 6369 1 14 . 1 1 80 80 ASP C C 58 177.205 177.205 176.924 0.281 17995 6370 1 14 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.331 -0.855 17995 6371 1 14 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.636 -0.971 17995 6372 1 14 . 1 1 80 80 ASP H H 58 9.396 9.396 8.257 1.139 17995 6373 1 14 . 1 1 81 81 ASP N N 59 122.564 122.564 122.640 -0.076 17995 6374 1 14 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.386 -0.106 17995 6375 1 14 . 1 1 81 81 ASP C C 59 177.291 177.291 176.802 0.489 17995 6376 1 14 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.667 0.793 17995 6377 1 14 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.121 -0.391 17995 6378 1 14 . 1 1 81 81 ASP H H 59 8.696 8.696 8.737 -0.041 17995 6379 1 14 . 1 1 82 82 ASP N N 60 115.817 115.817 117.461 -1.644 17995 6380 1 14 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.523 0.036 17995 6381 1 14 . 1 1 82 82 ASP C C 60 176.939 176.939 177.266 -0.327 17995 6382 1 14 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.933 -1.072 17995 6383 1 14 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.243 -0.828 17995 6384 1 14 . 1 1 82 82 ASP H H 60 8.460 8.460 8.099 0.361 17995 6385 1 14 . 1 1 83 83 GLU N N 61 118.478 118.478 117.586 0.892 17995 6386 1 14 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.521 -0.220 17995 6387 1 14 . 1 1 83 83 GLU C C 61 175.841 175.841 177.209 -1.368 17995 6388 1 14 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.491 0.813 17995 6389 1 14 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.993 0.498 17995 6390 1 14 . 1 1 83 83 GLU H H 61 7.903 7.903 7.724 0.179 17995 6391 1 14 . 1 1 84 84 ILE N N 62 117.759 117.759 123.495 -5.736 17995 6392 1 14 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.864 0.301 17995 6393 1 14 . 1 1 84 84 ILE C C 62 174.069 174.069 175.161 -1.092 17995 6394 1 14 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.364 -2.870 17995 6395 1 14 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.878 2.257 17995 6396 1 14 . 1 1 84 84 ILE H H 62 7.396 7.396 7.580 -0.184 17995 6397 1 14 . 1 1 85 85 SER N N 63 119.980 119.980 122.092 -2.112 17995 6398 1 14 . 1 1 85 85 SER HA H 63 4.789 4.789 4.738 0.051 17995 6399 1 14 . 1 1 85 85 SER CA C 63 56.772 56.772 56.317 0.455 17995 6400 1 14 . 1 1 85 85 SER CB C 63 66.916 66.916 66.101 0.815 17995 6401 1 14 . 1 1 85 85 SER H H 63 8.384 8.384 8.230 0.154 17995 6402 1 14 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.398 -0.371 17995 6403 1 14 . 1 1 86 86 ALA C C 64 180.211 180.211 179.781 0.430 17995 6404 1 14 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.420 1.081 17995 6405 1 14 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.856 -0.846 17995 6406 1 14 . 1 1 87 87 GLN N N 65 116.123 116.123 115.675 0.448 17995 6407 1 14 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.240 -0.175 17995 6408 1 14 . 1 1 87 87 GLN C C 65 178.564 178.564 177.061 1.503 17995 6409 1 14 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.164 1.575 17995 6410 1 14 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.063 0.380 17995 6411 1 14 . 1 1 87 87 GLN H H 65 7.990 7.990 7.774 0.216 17995 6412 1 14 . 1 1 88 88 THR N N 66 119.153 119.153 114.834 4.319 17995 6413 1 14 . 1 1 88 88 THR HA H 66 3.631 3.631 3.893 -0.262 17995 6414 1 14 . 1 1 88 88 THR C C 66 174.748 174.748 174.377 0.371 17995 6415 1 14 . 1 1 88 88 THR CA C 66 66.591 66.591 64.963 1.628 17995 6416 1 14 . 1 1 88 88 THR CB C 66 68.702 68.702 68.780 -0.078 17995 6417 1 14 . 1 1 88 88 THR H H 66 7.738 7.738 7.245 0.493 17995 6418 1 14 . 1 1 89 89 PHE N N 67 115.088 115.088 116.660 -1.572 17995 6419 1 14 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.596 -0.359 17995 6420 1 14 . 1 1 89 89 PHE C C 67 173.600 173.600 177.079 -3.479 17995 6421 1 14 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.758 -0.236 17995 6422 1 14 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.828 0.878 17995 6423 1 14 . 1 1 89 89 PHE H H 67 7.180 7.180 7.513 -0.333 17995 6424 1 14 . 1 1 90 90 GLU N N 68 122.222 122.222 119.976 2.246 17995 6425 1 14 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.109 0.058 17995 6426 1 14 . 1 1 90 90 GLU C C 68 178.581 178.581 176.654 1.927 17995 6427 1 14 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.158 1.568 17995 6428 1 14 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.647 1.101 17995 6429 1 14 . 1 1 90 90 GLU H H 68 7.421 7.421 8.421 -1.000 17995 6430 1 14 . 1 1 91 91 THR N N 69 106.383 106.383 107.235 -0.852 17995 6431 1 14 . 1 1 91 91 THR HA H 69 5.477 5.477 4.857 0.620 17995 6432 1 14 . 1 1 91 91 THR C C 69 174.775 174.775 174.464 0.311 17995 6433 1 14 . 1 1 91 91 THR CA C 69 58.798 58.798 59.020 -0.222 17995 6434 1 14 . 1 1 91 91 THR CB C 69 74.841 74.841 72.941 1.900 17995 6435 1 14 . 1 1 91 91 THR H H 69 8.534 8.534 7.247 1.287 17995 6436 1 14 . 1 1 92 92 LEU N N 70 120.326 120.326 122.648 -2.322 17995 6437 1 14 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.077 0.066 17995 6438 1 14 . 1 1 92 92 LEU C C 70 178.174 178.174 178.240 -0.066 17995 6439 1 14 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.454 0.812 17995 6440 1 14 . 1 1 92 92 LEU CB C 70 40.870 40.870 41.935 -1.065 17995 6441 1 14 . 1 1 92 92 LEU H H 70 7.991 7.991 8.432 -0.441 17995 6442 1 14 . 1 1 93 93 GLY N N 71 106.588 106.588 105.696 0.892 17995 6443 1 14 . 1 1 93 93 GLY C C 71 175.300 175.300 176.072 -0.772 17995 6444 1 14 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.501 -0.164 17995 6445 1 14 . 1 1 93 93 GLY H H 71 9.019 9.019 8.369 0.650 17995 6446 1 14 . 1 1 94 94 SER N N 72 120.200 120.200 118.567 1.633 17995 6447 1 14 . 1 1 94 94 SER HA H 72 4.090 4.090 4.313 -0.223 17995 6448 1 14 . 1 1 94 94 SER C C 72 177.631 177.631 176.763 0.868 17995 6449 1 14 . 1 1 94 94 SER CA C 72 62.329 62.329 61.967 0.362 17995 6450 1 14 . 1 1 94 94 SER H H 72 8.709 8.709 7.426 1.283 17995 6451 1 14 . 1 1 95 95 LEU N N 73 129.169 129.169 121.305 7.864 17995 6452 1 14 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.848 0.392 17995 6453 1 14 . 1 1 95 95 LEU C C 73 176.439 176.439 178.876 -2.437 17995 6454 1 14 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.214 0.588 17995 6455 1 14 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.207 1.652 17995 6456 1 14 . 1 1 95 95 LEU H H 73 7.800 7.800 7.427 0.373 17995 6457 1 14 . 1 1 96 96 ALA N N 74 121.721 121.721 122.398 -0.677 17995 6458 1 14 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.917 0.072 17995 6459 1 14 . 1 1 96 96 ALA C C 74 180.456 180.456 179.843 0.613 17995 6460 1 14 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.107 0.595 17995 6461 1 14 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.296 -0.580 17995 6462 1 14 . 1 1 96 96 ALA H H 74 8.612 8.612 7.999 0.613 17995 6463 1 14 . 1 1 97 97 LEU N N 75 122.095 122.095 119.249 2.846 17995 6464 1 14 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.778 0.279 17995 6465 1 14 . 1 1 97 97 LEU C C 75 178.805 178.805 178.927 -0.122 17995 6466 1 14 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.609 0.160 17995 6467 1 14 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.168 1.654 17995 6468 1 14 . 1 1 97 97 LEU H H 75 8.777 8.777 8.045 0.732 17995 6469 1 14 . 1 1 98 98 PHE N N 76 122.741 122.741 117.651 5.090 17995 6470 1 14 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.024 0.238 17995 6471 1 14 . 1 1 98 98 PHE C C 76 176.878 176.878 178.554 -1.676 17995 6472 1 14 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.254 -1.022 17995 6473 1 14 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.462 0.087 17995 6474 1 14 . 1 1 98 98 PHE H H 76 7.889 7.889 7.889 -0.000 17995 6475 1 14 . 1 1 99 99 VAL N N 77 119.641 119.641 115.061 4.580 17995 6476 1 14 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.279 -0.501 17995 6477 1 14 . 1 1 99 99 VAL C C 77 176.414 176.414 177.880 -1.466 17995 6478 1 14 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.757 1.211 17995 6479 1 14 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.824 0.362 17995 6480 1 14 . 1 1 99 99 VAL H H 77 7.599 7.599 7.972 -0.373 17995 6481 1 14 . 1 1 100 100 GLU N N 78 118.850 118.850 121.661 -2.811 17995 6482 1 14 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.227 -0.454 17995 6483 1 14 . 1 1 100 100 GLU C C 78 179.007 179.007 179.218 -0.211 17995 6484 1 14 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.170 0.370 17995 6485 1 14 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.038 0.740 17995 6486 1 14 . 1 1 100 100 GLU H H 78 7.740 7.740 8.180 -0.440 17995 6487 1 14 . 1 1 101 101 HIS N N 79 120.328 120.328 117.838 2.490 17995 6488 1 14 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.427 -0.226 17995 6489 1 14 . 1 1 101 101 HIS C C 79 178.242 178.242 177.962 0.280 17995 6490 1 14 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.451 0.787 17995 6491 1 14 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.926 0.012 17995 6492 1 14 . 1 1 101 101 HIS H H 79 8.354 8.354 7.656 0.698 17995 6493 1 14 . 1 1 102 102 LYS N N 80 121.044 121.044 119.187 1.857 17995 6494 1 14 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.286 -0.719 17995 6495 1 14 . 1 1 102 102 LYS C C 80 179.199 179.199 178.187 1.012 17995 6496 1 14 . 1 1 102 102 LYS CA C 80 56.987 56.987 57.608 -0.621 17995 6497 1 14 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.962 -1.786 17995 6498 1 14 . 1 1 102 102 LYS H H 80 7.908 7.908 7.916 -0.008 17995 6499 1 14 . 1 1 103 103 LEU N N 81 118.698 118.698 118.796 -0.098 17995 6500 1 14 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.273 -0.115 17995 6501 1 14 . 1 1 103 103 LEU C C 81 178.593 178.593 178.823 -0.230 17995 6502 1 14 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.827 0.569 17995 6503 1 14 . 1 1 103 103 LEU CB C 81 42.309 42.309 41.171 1.138 17995 6504 1 14 . 1 1 103 103 LEU H H 81 7.784 7.784 7.598 0.186 17995 6505 1 14 . 1 1 104 104 SER N N 82 114.826 114.826 113.617 1.209 17995 6506 1 14 . 1 1 104 104 SER HA H 82 4.358 4.358 4.296 0.062 17995 6507 1 14 . 1 1 104 104 SER C C 82 174.810 174.810 174.334 0.476 17995 6508 1 14 . 1 1 104 104 SER CA C 82 59.567 59.567 60.112 -0.545 17995 6509 1 14 . 1 1 104 104 SER CB C 82 63.859 63.859 63.873 -0.014 17995 6510 1 14 . 1 1 104 104 SER H H 82 7.738 7.738 7.918 -0.180 17995 6511 1 15 . 1 1 24 24 GLN N N 2 121.730 121.730 122.605 -0.875 17995 6512 1 15 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.420 -0.458 17995 6513 1 15 . 1 1 24 24 GLN C C 2 177.291 177.291 177.546 -0.255 17995 6514 1 15 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.132 1.259 17995 6515 1 15 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.387 -0.677 17995 6516 1 15 . 1 1 24 24 GLN H H 2 8.511 8.511 9.008 -0.497 17995 6517 1 15 . 1 1 25 25 HIS N N 3 116.878 116.878 120.404 -3.526 17995 6518 1 15 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.601 0.502 17995 6519 1 15 . 1 1 25 25 HIS C C 3 175.501 175.501 177.302 -1.801 17995 6520 1 15 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.518 -1.171 17995 6521 1 15 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.935 0.692 17995 6522 1 15 . 1 1 25 25 HIS H H 3 8.216 8.216 8.406 -0.190 17995 6523 1 15 . 1 1 26 26 LEU N N 4 121.540 121.540 119.068 2.472 17995 6524 1 15 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.139 -0.446 17995 6525 1 15 . 1 1 26 26 LEU C C 4 177.649 177.649 178.297 -0.648 17995 6526 1 15 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.172 1.531 17995 6527 1 15 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.061 1.274 17995 6528 1 15 . 1 1 26 26 LEU H H 4 7.447 7.447 8.124 -0.677 17995 6529 1 15 . 1 1 27 27 GLU N N 5 118.441 118.441 120.077 -1.636 17995 6530 1 15 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.926 -0.035 17995 6531 1 15 . 1 1 27 27 GLU C C 5 178.162 178.162 178.406 -0.244 17995 6532 1 15 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.309 0.314 17995 6533 1 15 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.570 -0.493 17995 6534 1 15 . 1 1 27 27 GLU H H 5 8.561 8.561 7.818 0.743 17995 6535 1 15 . 1 1 28 28 ALA N N 6 122.005 122.005 121.950 0.055 17995 6536 1 15 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.148 -0.016 17995 6537 1 15 . 1 1 28 28 ALA C C 6 180.421 180.421 179.971 0.450 17995 6538 1 15 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.726 0.553 17995 6539 1 15 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.101 0.665 17995 6540 1 15 . 1 1 28 28 ALA H H 6 8.205 8.205 7.614 0.591 17995 6541 1 15 . 1 1 29 29 VAL N N 7 116.985 116.985 119.515 -2.530 17995 6542 1 15 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.695 -0.186 17995 6543 1 15 . 1 1 29 29 VAL C C 7 177.034 177.034 177.695 -0.661 17995 6544 1 15 . 1 1 29 29 VAL CA C 7 67.363 67.363 66.921 0.442 17995 6545 1 15 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.690 -0.251 17995 6546 1 15 . 1 1 29 29 VAL H H 7 8.392 8.392 8.145 0.247 17995 6547 1 15 . 1 1 30 30 ARG N N 8 121.674 121.674 119.143 2.531 17995 6548 1 15 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.007 -0.343 17995 6549 1 15 . 1 1 30 30 ARG C C 8 177.810 177.810 178.281 -0.471 17995 6550 1 15 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.328 1.197 17995 6551 1 15 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.421 1.245 17995 6552 1 15 . 1 1 30 30 ARG H H 8 8.784 8.784 8.249 0.535 17995 6553 1 15 . 1 1 31 31 ASN N N 9 118.102 118.102 118.662 -0.560 17995 6554 1 15 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.509 -0.225 17995 6555 1 15 . 1 1 31 31 ASN C C 9 177.890 177.890 177.316 0.574 17995 6556 1 15 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.997 0.257 17995 6557 1 15 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.133 -0.545 17995 6558 1 15 . 1 1 31 31 ASN H H 9 8.144 8.144 7.829 0.315 17995 6559 1 15 . 1 1 32 32 ILE N N 10 123.614 123.614 120.312 3.302 17995 6560 1 15 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.469 0.323 17995 6561 1 15 . 1 1 32 32 ILE C C 10 177.810 177.810 177.723 0.087 17995 6562 1 15 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.150 0.108 17995 6563 1 15 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.946 0.788 17995 6564 1 15 . 1 1 32 32 ILE H H 10 8.137 8.137 7.656 0.481 17995 6565 1 15 . 1 1 33 33 LEU N N 11 119.797 119.797 119.783 0.014 17995 6566 1 15 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.987 -0.201 17995 6567 1 15 . 1 1 33 33 LEU C C 11 179.039 179.039 179.532 -0.493 17995 6568 1 15 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.947 0.763 17995 6569 1 15 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.321 0.755 17995 6570 1 15 . 1 1 33 33 LEU H H 11 8.637 8.637 8.226 0.411 17995 6571 1 15 . 1 1 34 34 GLY N N 12 103.682 103.682 105.917 -2.235 17995 6572 1 15 . 1 1 34 34 GLY C C 12 175.242 175.242 175.710 -0.468 17995 6573 1 15 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.696 1.022 17995 6574 1 15 . 1 1 34 34 GLY H H 12 8.513 8.513 8.275 0.238 17995 6575 1 15 . 1 1 35 35 ASP N N 13 122.235 122.235 121.916 0.319 17995 6576 1 15 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.541 0.044 17995 6577 1 15 . 1 1 35 35 ASP C C 13 179.013 179.013 178.104 0.909 17995 6578 1 15 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.797 0.119 17995 6579 1 15 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.223 -0.177 17995 6580 1 15 . 1 1 35 35 ASP H H 13 7.968 7.968 7.724 0.244 17995 6581 1 15 . 1 1 36 36 VAL N N 14 120.841 120.841 118.746 2.095 17995 6582 1 15 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.898 -0.221 17995 6583 1 15 . 1 1 36 36 VAL C C 14 177.797 177.797 177.838 -0.041 17995 6584 1 15 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.287 0.716 17995 6585 1 15 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.063 0.168 17995 6586 1 15 . 1 1 36 36 VAL H H 14 8.765 8.765 8.023 0.742 17995 6587 1 15 . 1 1 37 37 LEU N N 15 114.630 114.630 115.117 -0.487 17995 6588 1 15 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.357 -0.076 17995 6589 1 15 . 1 1 37 37 LEU C C 15 175.483 175.483 176.205 -0.722 17995 6590 1 15 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.689 -0.519 17995 6591 1 15 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.002 -1.308 17995 6592 1 15 . 1 1 37 37 LEU H H 15 7.942 7.942 7.747 0.195 17995 6593 1 15 . 1 1 38 38 ASN N N 16 116.887 116.887 115.922 0.965 17995 6594 1 15 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.529 0.005 17995 6595 1 15 . 1 1 38 38 ASN C C 16 175.668 175.668 175.025 0.643 17995 6596 1 15 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.416 0.503 17995 6597 1 15 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.824 -0.966 17995 6598 1 15 . 1 1 38 38 ASN H H 16 7.561 7.561 8.015 -0.454 17995 6599 1 15 . 1 1 39 39 LEU N N 17 114.676 114.676 118.163 -3.487 17995 6600 1 15 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.208 -0.138 17995 6601 1 15 . 1 1 39 39 LEU C C 17 178.415 178.415 178.382 0.033 17995 6602 1 15 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.227 -0.483 17995 6603 1 15 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.222 1.054 17995 6604 1 15 . 1 1 39 39 LEU H H 17 8.233 8.233 7.733 0.500 17995 6605 1 15 . 1 1 40 40 GLY N N 18 109.665 109.665 107.187 2.478 17995 6606 1 15 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.976 -0.671 17995 6607 1 15 . 1 1 40 40 GLY H H 18 8.678 8.678 7.861 0.817 17995 6608 1 15 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.256 -0.128 17995 6609 1 15 . 1 1 41 41 GLU C C 19 178.328 178.328 178.331 -0.003 17995 6610 1 15 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.005 1.259 17995 6611 1 15 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.717 -0.637 17995 6612 1 15 . 1 1 42 42 ARG N N 20 118.936 118.936 121.653 -2.717 17995 6613 1 15 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.173 0.002 17995 6614 1 15 . 1 1 42 42 ARG C C 20 178.912 178.912 177.635 1.277 17995 6615 1 15 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.235 0.002 17995 6616 1 15 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.259 -0.203 17995 6617 1 15 . 1 1 42 42 ARG H H 20 7.979 7.979 7.987 -0.008 17995 6618 1 15 . 1 1 43 43 LYS N N 21 119.087 119.087 115.229 3.858 17995 6619 1 15 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.107 -0.359 17995 6620 1 15 . 1 1 43 43 LYS C C 21 176.559 176.559 177.920 -1.361 17995 6621 1 15 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.704 0.394 17995 6622 1 15 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.619 0.362 17995 6623 1 15 . 1 1 43 43 LYS H H 21 7.719 7.719 8.153 -0.434 17995 6624 1 15 . 1 1 44 44 HIS N N 22 115.571 115.571 118.374 -2.803 17995 6625 1 15 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.639 -0.211 17995 6626 1 15 . 1 1 44 44 HIS C C 22 176.288 176.288 176.330 -0.042 17995 6627 1 15 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.132 -0.348 17995 6628 1 15 . 1 1 44 44 HIS CB C 22 30.470 30.470 31.007 -0.537 17995 6629 1 15 . 1 1 44 44 HIS H H 22 7.124 7.124 7.846 -0.722 17995 6630 1 15 . 1 1 45 45 THR N N 23 107.890 107.890 114.775 -6.885 17995 6631 1 15 . 1 1 45 45 THR HA H 23 4.355 4.355 4.162 0.193 17995 6632 1 15 . 1 1 45 45 THR C C 23 174.650 174.650 174.716 -0.066 17995 6633 1 15 . 1 1 45 45 THR CA C 23 61.627 61.627 63.275 -1.648 17995 6634 1 15 . 1 1 45 45 THR CB C 23 69.475 69.475 69.014 0.461 17995 6635 1 15 . 1 1 45 45 THR H H 23 7.441 7.441 7.517 -0.076 17995 6636 1 15 . 1 1 46 46 LEU N N 24 121.435 121.435 119.276 2.159 17995 6637 1 15 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.775 -0.152 17995 6638 1 15 . 1 1 46 46 LEU C C 24 176.537 176.537 175.340 1.197 17995 6639 1 15 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.291 1.299 17995 6640 1 15 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.602 -0.485 17995 6641 1 15 . 1 1 46 46 LEU H H 24 7.059 7.059 7.266 -0.207 17995 6642 1 15 . 1 1 47 47 THR N N 25 116.104 116.104 114.062 2.042 17995 6643 1 15 . 1 1 47 47 THR HA H 25 4.605 4.605 4.516 0.089 17995 6644 1 15 . 1 1 47 47 THR C C 25 175.526 175.526 175.070 0.456 17995 6645 1 15 . 1 1 47 47 THR CA C 25 59.878 59.878 59.808 0.070 17995 6646 1 15 . 1 1 47 47 THR CB C 25 71.752 71.752 71.564 0.188 17995 6647 1 15 . 1 1 47 47 THR H H 25 9.432 9.432 7.868 1.564 17995 6648 1 15 . 1 1 48 48 ALA N N 26 122.234 122.234 120.854 1.380 17995 6649 1 15 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.105 -0.296 17995 6650 1 15 . 1 1 48 48 ALA CA C 26 55.593 55.593 55.103 0.490 17995 6651 1 15 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.607 0.047 17995 6652 1 15 . 1 1 48 48 ALA H H 26 9.142 9.142 8.591 0.551 17995 6653 1 15 . 1 1 49 49 SER HA H 27 4.448 4.448 4.340 0.108 17995 6654 1 15 . 1 1 49 49 SER C C 27 174.637 174.637 174.992 -0.355 17995 6655 1 15 . 1 1 49 49 SER CA C 27 58.348 58.348 59.634 -1.286 17995 6656 1 15 . 1 1 49 49 SER CB C 27 63.704 63.704 63.405 0.299 17995 6657 1 15 . 1 1 50 50 SER N N 28 122.032 122.032 118.850 3.182 17995 6658 1 15 . 1 1 50 50 SER HA H 28 4.269 4.269 4.327 -0.058 17995 6659 1 15 . 1 1 50 50 SER C C 28 172.904 172.904 174.258 -1.354 17995 6660 1 15 . 1 1 50 50 SER CA C 28 60.846 60.846 58.661 2.185 17995 6661 1 15 . 1 1 50 50 SER CB C 28 63.063 63.063 63.672 -0.609 17995 6662 1 15 . 1 1 50 50 SER H H 28 8.157 8.157 7.562 0.595 17995 6663 1 15 . 1 1 51 51 VAL N N 29 127.079 127.079 123.861 3.218 17995 6664 1 15 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.085 0.257 17995 6665 1 15 . 1 1 51 51 VAL C C 29 176.612 176.612 175.496 1.116 17995 6666 1 15 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.305 -0.857 17995 6667 1 15 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.227 -0.002 17995 6668 1 15 . 1 1 51 51 VAL H H 29 8.505 8.505 8.401 0.104 17995 6669 1 15 . 1 1 52 52 LEU N N 30 126.014 126.014 122.659 3.355 17995 6670 1 15 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.647 0.148 17995 6671 1 15 . 1 1 52 52 LEU C C 30 176.569 176.569 177.491 -0.922 17995 6672 1 15 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.331 -0.799 17995 6673 1 15 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.470 -2.466 17995 6674 1 15 . 1 1 52 52 LEU H H 30 7.954 7.954 8.165 -0.211 17995 6675 1 15 . 1 1 53 53 LEU N N 31 122.601 122.601 119.423 3.178 17995 6676 1 15 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.971 0.115 17995 6677 1 15 . 1 1 53 53 LEU C C 31 177.683 177.683 177.886 -0.203 17995 6678 1 15 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.575 0.799 17995 6679 1 15 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.063 0.756 17995 6680 1 15 . 1 1 53 53 LEU H H 31 7.777 7.777 7.589 0.188 17995 6681 1 15 . 1 1 54 54 GLY N N 32 114.941 114.941 113.760 1.181 17995 6682 1 15 . 1 1 54 54 GLY C C 32 173.612 173.612 174.222 -0.610 17995 6683 1 15 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.448 0.110 17995 6684 1 15 . 1 1 54 54 GLY H H 32 9.121 9.121 8.736 0.385 17995 6685 1 15 . 1 1 55 55 ASN N N 33 117.901 117.901 119.955 -2.054 17995 6686 1 15 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.774 0.156 17995 6687 1 15 . 1 1 55 55 ASN C C 33 174.458 174.458 176.224 -1.766 17995 6688 1 15 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.106 -0.287 17995 6689 1 15 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.945 1.602 17995 6690 1 15 . 1 1 55 55 ASN H H 33 7.789 7.789 7.865 -0.076 17995 6691 1 15 . 1 1 56 56 ILE N N 34 120.163 120.163 122.177 -2.014 17995 6692 1 15 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.374 0.163 17995 6693 1 15 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.916 0.085 17995 6694 1 15 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.422 1.671 17995 6695 1 15 . 1 1 56 56 ILE H H 34 7.703 7.703 8.071 -0.368 17995 6696 1 15 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.470 -0.297 17995 6697 1 15 . 1 1 57 57 PRO C C 35 177.969 177.969 176.461 1.508 17995 6698 1 15 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.165 1.111 17995 6699 1 15 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.006 -0.072 17995 6700 1 15 . 1 1 58 58 GLU N N 36 116.701 116.701 116.117 0.584 17995 6701 1 15 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.458 -0.486 17995 6702 1 15 . 1 1 58 58 GLU C C 36 176.612 176.612 175.524 1.088 17995 6703 1 15 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.294 4.053 17995 6704 1 15 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.617 0.215 17995 6705 1 15 . 1 1 58 58 GLU H H 36 9.581 9.581 8.542 1.039 17995 6706 1 15 . 1 1 59 59 LEU N N 37 121.189 121.189 124.523 -3.334 17995 6707 1 15 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.405 -0.093 17995 6708 1 15 . 1 1 59 59 LEU C C 37 173.353 173.353 174.871 -1.518 17995 6709 1 15 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.020 -0.742 17995 6710 1 15 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.278 -0.279 17995 6711 1 15 . 1 1 59 59 LEU H H 37 7.560 7.560 7.348 0.212 17995 6712 1 15 . 1 1 60 60 ASP N N 38 126.468 126.468 123.197 3.271 17995 6713 1 15 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.725 -0.010 17995 6714 1 15 . 1 1 60 60 ASP C C 38 175.828 175.828 177.115 -1.287 17995 6715 1 15 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.077 -1.157 17995 6716 1 15 . 1 1 60 60 ASP CB C 38 41.556 41.556 41.974 -0.418 17995 6717 1 15 . 1 1 60 60 ASP H H 38 7.527 7.527 7.568 -0.041 17995 6718 1 15 . 1 1 61 61 SER N N 39 113.128 113.128 114.112 -0.984 17995 6719 1 15 . 1 1 61 61 SER HA H 39 4.019 4.019 4.172 -0.153 17995 6720 1 15 . 1 1 61 61 SER C C 39 175.854 175.854 176.844 -0.990 17995 6721 1 15 . 1 1 61 61 SER CA C 39 61.276 61.276 61.413 -0.137 17995 6722 1 15 . 1 1 61 61 SER CB C 39 65.520 65.520 62.931 2.589 17995 6723 1 15 . 1 1 61 61 SER H H 39 8.623 8.623 8.369 0.254 17995 6724 1 15 . 1 1 62 62 MET N N 40 121.706 121.706 119.295 2.411 17995 6725 1 15 . 1 1 62 62 MET HA H 40 4.303 4.303 4.323 -0.020 17995 6726 1 15 . 1 1 62 62 MET C C 40 177.755 177.755 178.309 -0.554 17995 6727 1 15 . 1 1 62 62 MET CA C 40 57.714 57.714 56.006 1.708 17995 6728 1 15 . 1 1 62 62 MET CB C 40 32.386 32.386 31.146 1.240 17995 6729 1 15 . 1 1 62 62 MET H H 40 7.802 7.802 8.057 -0.255 17995 6730 1 15 . 1 1 63 63 ALA N N 41 124.277 124.277 122.227 2.050 17995 6731 1 15 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.115 0.056 17995 6732 1 15 . 1 1 63 63 ALA C C 41 179.893 179.893 179.370 0.523 17995 6733 1 15 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.153 -0.052 17995 6734 1 15 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.104 1.552 17995 6735 1 15 . 1 1 63 63 ALA H H 41 8.295 8.295 7.837 0.458 17995 6736 1 15 . 1 1 64 64 VAL N N 42 118.186 118.186 115.979 2.207 17995 6737 1 15 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.581 -0.588 17995 6738 1 15 . 1 1 64 64 VAL C C 42 177.327 177.327 177.339 -0.012 17995 6739 1 15 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.343 1.969 17995 6740 1 15 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.014 0.178 17995 6741 1 15 . 1 1 64 64 VAL H H 42 8.019 8.019 7.760 0.259 17995 6742 1 15 . 1 1 65 65 VAL N N 43 118.361 118.361 121.060 -2.699 17995 6743 1 15 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.439 0.125 17995 6744 1 15 . 1 1 65 65 VAL C C 43 178.520 178.520 178.008 0.512 17995 6745 1 15 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.662 -0.105 17995 6746 1 15 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.809 0.691 17995 6747 1 15 . 1 1 65 65 VAL H H 43 6.942 6.942 7.325 -0.383 17995 6748 1 15 . 1 1 66 66 ASN N N 44 119.476 119.476 118.719 0.757 17995 6749 1 15 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.480 0.082 17995 6750 1 15 . 1 1 66 66 ASN C C 44 178.760 178.760 178.042 0.718 17995 6751 1 15 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.795 -0.959 17995 6752 1 15 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.697 -0.890 17995 6753 1 15 . 1 1 66 66 ASN H H 44 7.789 7.789 7.959 -0.170 17995 6754 1 15 . 1 1 67 67 VAL N N 45 124.029 124.029 116.537 7.492 17995 6755 1 15 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.919 -0.301 17995 6756 1 15 . 1 1 67 67 VAL C C 45 177.100 177.100 178.018 -0.918 17995 6757 1 15 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.820 1.545 17995 6758 1 15 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.584 -0.124 17995 6759 1 15 . 1 1 67 67 VAL H H 45 9.055 9.055 7.714 1.341 17995 6760 1 15 . 1 1 68 68 ILE N N 46 121.006 121.006 122.639 -1.633 17995 6761 1 15 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.799 -0.011 17995 6762 1 15 . 1 1 68 68 ILE C C 46 177.871 177.871 178.076 -0.205 17995 6763 1 15 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.759 -0.497 17995 6764 1 15 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.627 -1.460 17995 6765 1 15 . 1 1 68 68 ILE H H 46 8.509 8.509 7.840 0.669 17995 6766 1 15 . 1 1 69 69 THR N N 47 116.096 116.096 116.071 0.025 17995 6767 1 15 . 1 1 69 69 THR HA H 47 4.391 4.391 3.926 0.465 17995 6768 1 15 . 1 1 69 69 THR C C 47 176.365 176.365 176.182 0.183 17995 6769 1 15 . 1 1 69 69 THR CA C 47 66.256 66.256 67.181 -0.926 17995 6770 1 15 . 1 1 69 69 THR CB C 47 69.098 69.098 68.290 0.808 17995 6771 1 15 . 1 1 69 69 THR H H 47 8.512 8.512 7.849 0.663 17995 6772 1 15 . 1 1 70 70 ALA N N 48 123.948 123.948 124.201 -0.253 17995 6773 1 15 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.225 0.078 17995 6774 1 15 . 1 1 70 70 ALA C C 48 181.452 181.452 179.611 1.841 17995 6775 1 15 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.204 -0.021 17995 6776 1 15 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.316 1.107 17995 6777 1 15 . 1 1 70 70 ALA H H 48 7.802 7.802 8.071 -0.269 17995 6778 1 15 . 1 1 71 71 LEU N N 49 121.199 121.199 119.714 1.485 17995 6779 1 15 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.240 -0.017 17995 6780 1 15 . 1 1 71 71 LEU C C 49 178.192 178.192 179.480 -1.288 17995 6781 1 15 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.373 0.188 17995 6782 1 15 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.939 1.512 17995 6783 1 15 . 1 1 71 71 LEU H H 49 8.802 8.802 8.266 0.536 17995 6784 1 15 . 1 1 72 72 GLU N N 50 119.782 119.782 118.426 1.356 17995 6785 1 15 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.891 -0.401 17995 6786 1 15 . 1 1 72 72 GLU C C 50 180.303 180.303 179.875 0.428 17995 6787 1 15 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.129 0.722 17995 6788 1 15 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.762 2.346 17995 6789 1 15 . 1 1 72 72 GLU H H 50 8.762 8.762 7.947 0.815 17995 6790 1 15 . 1 1 73 73 GLU N N 51 116.902 116.902 119.457 -2.555 17995 6791 1 15 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.087 -0.035 17995 6792 1 15 . 1 1 73 73 GLU C C 51 178.334 178.334 179.135 -0.801 17995 6793 1 15 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.710 -0.092 17995 6794 1 15 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.294 0.788 17995 6795 1 15 . 1 1 73 73 GLU H H 51 7.953 7.953 7.910 0.043 17995 6796 1 15 . 1 1 74 74 TYR N N 52 119.999 119.999 116.965 3.034 17995 6797 1 15 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.363 -0.481 17995 6798 1 15 . 1 1 74 74 TYR C C 52 177.384 177.384 178.185 -0.801 17995 6799 1 15 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.975 0.625 17995 6800 1 15 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.749 0.896 17995 6801 1 15 . 1 1 74 74 TYR H H 52 8.078 8.078 8.135 -0.057 17995 6802 1 15 . 1 1 75 75 PHE N N 53 113.650 113.650 115.670 -2.020 17995 6803 1 15 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.481 -0.295 17995 6804 1 15 . 1 1 75 75 PHE C C 53 174.485 174.485 175.252 -0.767 17995 6805 1 15 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.154 0.090 17995 6806 1 15 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.317 0.723 17995 6807 1 15 . 1 1 75 75 PHE H H 53 8.244 8.244 8.103 0.141 17995 6808 1 15 . 1 1 76 76 ASP N N 54 119.712 119.712 117.697 2.015 17995 6809 1 15 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.528 -0.148 17995 6810 1 15 . 1 1 76 76 ASP C C 54 174.118 174.118 175.576 -1.458 17995 6811 1 15 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.629 -0.766 17995 6812 1 15 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.140 0.016 17995 6813 1 15 . 1 1 76 76 ASP H H 54 7.596 7.596 7.994 -0.398 17995 6814 1 15 . 1 1 77 77 PHE N N 55 113.804 113.804 115.885 -2.081 17995 6815 1 15 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.071 0.004 17995 6816 1 15 . 1 1 77 77 PHE C C 55 174.384 174.384 173.487 0.897 17995 6817 1 15 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.610 -1.174 17995 6818 1 15 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.072 -0.442 17995 6819 1 15 . 1 1 77 77 PHE H H 55 7.725 7.725 8.316 -0.591 17995 6820 1 15 . 1 1 78 78 SER N N 56 114.319 114.319 114.141 0.178 17995 6821 1 15 . 1 1 78 78 SER HA H 56 5.149 5.149 4.646 0.503 17995 6822 1 15 . 1 1 78 78 SER C C 56 174.100 174.100 172.512 1.588 17995 6823 1 15 . 1 1 78 78 SER CA C 56 56.800 56.800 56.498 0.302 17995 6824 1 15 . 1 1 78 78 SER CB C 56 65.011 65.011 64.218 0.793 17995 6825 1 15 . 1 1 78 78 SER H H 56 8.727 8.727 8.230 0.497 17995 6826 1 15 . 1 1 79 79 VAL N N 57 128.316 128.316 127.066 1.250 17995 6827 1 15 . 1 1 79 79 VAL HA H 57 4.244 4.244 4.012 0.232 17995 6828 1 15 . 1 1 79 79 VAL C C 57 175.637 175.637 175.223 0.414 17995 6829 1 15 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.053 -0.299 17995 6830 1 15 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.480 0.393 17995 6831 1 15 . 1 1 79 79 VAL H H 57 10.222 10.222 8.173 2.049 17995 6832 1 15 . 1 1 80 80 ASP N N 58 130.058 130.058 126.777 3.281 17995 6833 1 15 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.581 0.265 17995 6834 1 15 . 1 1 80 80 ASP C C 58 177.205 177.205 176.578 0.627 17995 6835 1 15 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.264 -0.788 17995 6836 1 15 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.494 -0.829 17995 6837 1 15 . 1 1 80 80 ASP H H 58 9.396 9.396 8.281 1.115 17995 6838 1 15 . 1 1 81 81 ASP N N 59 122.564 122.564 122.394 0.170 17995 6839 1 15 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.401 -0.121 17995 6840 1 15 . 1 1 81 81 ASP C C 59 177.291 177.291 176.592 0.699 17995 6841 1 15 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.378 1.082 17995 6842 1 15 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.205 -0.475 17995 6843 1 15 . 1 1 81 81 ASP H H 59 8.696 8.696 8.726 -0.030 17995 6844 1 15 . 1 1 82 82 ASP N N 60 115.817 115.817 117.899 -2.082 17995 6845 1 15 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.486 0.073 17995 6846 1 15 . 1 1 82 82 ASP C C 60 176.939 176.939 177.583 -0.644 17995 6847 1 15 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.172 -1.311 17995 6848 1 15 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.345 -0.930 17995 6849 1 15 . 1 1 82 82 ASP H H 60 8.460 8.460 7.866 0.594 17995 6850 1 15 . 1 1 83 83 GLU N N 61 118.478 118.478 116.858 1.620 17995 6851 1 15 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.456 -0.155 17995 6852 1 15 . 1 1 83 83 GLU C C 61 175.841 175.841 177.106 -1.265 17995 6853 1 15 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.532 0.771 17995 6854 1 15 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.450 1.041 17995 6855 1 15 . 1 1 83 83 GLU H H 61 7.903 7.903 7.635 0.268 17995 6856 1 15 . 1 1 84 84 ILE N N 62 117.759 117.759 122.080 -4.321 17995 6857 1 15 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.891 0.274 17995 6858 1 15 . 1 1 84 84 ILE C C 62 174.069 174.069 175.180 -1.111 17995 6859 1 15 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.069 -2.575 17995 6860 1 15 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.961 2.174 17995 6861 1 15 . 1 1 84 84 ILE H H 62 7.396 7.396 7.340 0.056 17995 6862 1 15 . 1 1 85 85 SER N N 63 119.980 119.980 121.995 -2.015 17995 6863 1 15 . 1 1 85 85 SER HA H 63 4.789 4.789 4.696 0.093 17995 6864 1 15 . 1 1 85 85 SER CA C 63 56.772 56.772 56.018 0.754 17995 6865 1 15 . 1 1 85 85 SER CB C 63 66.916 66.916 65.847 1.069 17995 6866 1 15 . 1 1 85 85 SER H H 63 8.384 8.384 8.142 0.242 17995 6867 1 15 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.263 -0.236 17995 6868 1 15 . 1 1 86 86 ALA C C 64 180.211 180.211 178.958 1.253 17995 6869 1 15 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.626 0.875 17995 6870 1 15 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.771 -0.761 17995 6871 1 15 . 1 1 87 87 GLN N N 65 116.123 116.123 115.103 1.020 17995 6872 1 15 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.308 -0.243 17995 6873 1 15 . 1 1 87 87 GLN C C 65 178.564 178.564 177.159 1.405 17995 6874 1 15 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.490 1.249 17995 6875 1 15 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.313 0.130 17995 6876 1 15 . 1 1 87 87 GLN H H 65 7.990 7.990 7.825 0.165 17995 6877 1 15 . 1 1 88 88 THR N N 66 119.153 119.153 115.173 3.980 17995 6878 1 15 . 1 1 88 88 THR HA H 66 3.631 3.631 3.798 -0.167 17995 6879 1 15 . 1 1 88 88 THR C C 66 174.748 174.748 174.808 -0.060 17995 6880 1 15 . 1 1 88 88 THR CA C 66 66.591 66.591 65.476 1.115 17995 6881 1 15 . 1 1 88 88 THR CB C 66 68.702 68.702 68.537 0.165 17995 6882 1 15 . 1 1 88 88 THR H H 66 7.738 7.738 7.170 0.568 17995 6883 1 15 . 1 1 89 89 PHE N N 67 115.088 115.088 117.008 -1.920 17995 6884 1 15 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.614 -0.377 17995 6885 1 15 . 1 1 89 89 PHE C C 67 173.600 173.600 177.020 -3.420 17995 6886 1 15 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.492 0.030 17995 6887 1 15 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.298 1.408 17995 6888 1 15 . 1 1 89 89 PHE H H 67 7.180 7.180 7.454 -0.274 17995 6889 1 15 . 1 1 90 90 GLU N N 68 122.222 122.222 119.102 3.120 17995 6890 1 15 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.093 0.074 17995 6891 1 15 . 1 1 90 90 GLU C C 68 178.581 178.581 176.610 1.971 17995 6892 1 15 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.377 1.349 17995 6893 1 15 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.867 0.881 17995 6894 1 15 . 1 1 90 90 GLU H H 68 7.421 7.421 7.901 -0.480 17995 6895 1 15 . 1 1 91 91 THR N N 69 106.383 106.383 110.784 -4.401 17995 6896 1 15 . 1 1 91 91 THR HA H 69 5.477 5.477 4.728 0.749 17995 6897 1 15 . 1 1 91 91 THR C C 69 174.775 174.775 174.051 0.724 17995 6898 1 15 . 1 1 91 91 THR CA C 69 58.798 58.798 60.342 -1.544 17995 6899 1 15 . 1 1 91 91 THR CB C 69 74.841 74.841 71.714 3.127 17995 6900 1 15 . 1 1 91 91 THR H H 69 8.534 8.534 7.350 1.184 17995 6901 1 15 . 1 1 92 92 LEU N N 70 120.326 120.326 125.491 -5.165 17995 6902 1 15 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.159 -0.016 17995 6903 1 15 . 1 1 92 92 LEU C C 70 178.174 178.174 177.912 0.262 17995 6904 1 15 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.208 1.058 17995 6905 1 15 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.253 -1.383 17995 6906 1 15 . 1 1 92 92 LEU H H 70 7.991 7.991 8.441 -0.450 17995 6907 1 15 . 1 1 93 93 GLY N N 71 106.588 106.588 105.316 1.272 17995 6908 1 15 . 1 1 93 93 GLY C C 71 175.300 175.300 176.035 -0.735 17995 6909 1 15 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.497 -0.160 17995 6910 1 15 . 1 1 93 93 GLY H H 71 9.019 9.019 8.270 0.749 17995 6911 1 15 . 1 1 94 94 SER N N 72 120.200 120.200 118.382 1.818 17995 6912 1 15 . 1 1 94 94 SER HA H 72 4.090 4.090 4.260 -0.170 17995 6913 1 15 . 1 1 94 94 SER C C 72 177.631 177.631 176.444 1.187 17995 6914 1 15 . 1 1 94 94 SER CA C 72 62.329 62.329 61.758 0.571 17995 6915 1 15 . 1 1 94 94 SER H H 72 8.709 8.709 7.505 1.204 17995 6916 1 15 . 1 1 95 95 LEU N N 73 129.169 129.169 121.449 7.720 17995 6917 1 15 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.852 0.388 17995 6918 1 15 . 1 1 95 95 LEU C C 73 176.439 176.439 178.894 -2.455 17995 6919 1 15 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.269 0.533 17995 6920 1 15 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.256 1.603 17995 6921 1 15 . 1 1 95 95 LEU H H 73 7.800 7.800 7.437 0.363 17995 6922 1 15 . 1 1 96 96 ALA N N 74 121.721 121.721 122.282 -0.561 17995 6923 1 15 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.996 -0.007 17995 6924 1 15 . 1 1 96 96 ALA C C 74 180.456 180.456 179.982 0.474 17995 6925 1 15 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.212 0.490 17995 6926 1 15 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.365 -0.649 17995 6927 1 15 . 1 1 96 96 ALA H H 74 8.612 8.612 7.986 0.626 17995 6928 1 15 . 1 1 97 97 LEU N N 75 122.095 122.095 119.289 2.806 17995 6929 1 15 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.060 -0.003 17995 6930 1 15 . 1 1 97 97 LEU C C 75 178.805 178.805 179.485 -0.680 17995 6931 1 15 . 1 1 97 97 LEU CA C 75 57.769 57.769 58.140 -0.371 17995 6932 1 15 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.692 1.130 17995 6933 1 15 . 1 1 97 97 LEU H H 75 8.777 8.777 7.993 0.784 17995 6934 1 15 . 1 1 98 98 PHE N N 76 122.741 122.741 118.300 4.441 17995 6935 1 15 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.079 0.183 17995 6936 1 15 . 1 1 98 98 PHE C C 76 176.878 176.878 178.307 -1.429 17995 6937 1 15 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.828 -1.596 17995 6938 1 15 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.435 0.114 17995 6939 1 15 . 1 1 98 98 PHE H H 76 7.889 7.889 8.111 -0.222 17995 6940 1 15 . 1 1 99 99 VAL N N 77 119.641 119.641 115.556 4.085 17995 6941 1 15 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.525 -0.747 17995 6942 1 15 . 1 1 99 99 VAL C C 77 176.414 176.414 177.881 -1.467 17995 6943 1 15 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.084 0.884 17995 6944 1 15 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.102 0.084 17995 6945 1 15 . 1 1 99 99 VAL H H 77 7.599 7.599 8.253 -0.654 17995 6946 1 15 . 1 1 100 100 GLU N N 78 118.850 118.850 121.879 -3.029 17995 6947 1 15 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.128 -0.355 17995 6948 1 15 . 1 1 100 100 GLU C C 78 179.007 179.007 179.048 -0.041 17995 6949 1 15 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.204 0.336 17995 6950 1 15 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.870 0.908 17995 6951 1 15 . 1 1 100 100 GLU H H 78 7.740 7.740 8.145 -0.405 17995 6952 1 15 . 1 1 101 101 HIS N N 79 120.328 120.328 117.904 2.424 17995 6953 1 15 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.061 0.140 17995 6954 1 15 . 1 1 101 101 HIS C C 79 178.242 178.242 177.551 0.691 17995 6955 1 15 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.013 0.225 17995 6956 1 15 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.941 -0.003 17995 6957 1 15 . 1 1 101 101 HIS H H 79 8.354 8.354 7.936 0.418 17995 6958 1 15 . 1 1 102 102 LYS N N 80 121.044 121.044 118.481 2.563 17995 6959 1 15 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.262 -0.695 17995 6960 1 15 . 1 1 102 102 LYS C C 80 179.199 179.199 179.317 -0.118 17995 6961 1 15 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.652 -1.665 17995 6962 1 15 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.141 -1.965 17995 6963 1 15 . 1 1 102 102 LYS H H 80 7.908 7.908 7.968 -0.060 17995 6964 1 15 . 1 1 103 103 LEU N N 81 118.698 118.698 118.722 -0.024 17995 6965 1 15 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.325 -0.167 17995 6966 1 15 . 1 1 103 103 LEU C C 81 178.593 178.593 178.513 0.080 17995 6967 1 15 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.719 0.677 17995 6968 1 15 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.382 1.927 17995 6969 1 15 . 1 1 103 103 LEU H H 81 7.784 7.784 7.829 -0.045 17995 6970 1 15 . 1 1 104 104 SER N N 82 114.826 114.826 113.066 1.760 17995 6971 1 15 . 1 1 104 104 SER HA H 82 4.358 4.358 4.359 -0.001 17995 6972 1 15 . 1 1 104 104 SER C C 82 174.810 174.810 174.877 -0.067 17995 6973 1 15 . 1 1 104 104 SER CA C 82 59.567 59.567 58.988 0.579 17995 6974 1 15 . 1 1 104 104 SER CB C 82 63.859 63.859 63.342 0.517 17995 6975 1 15 . 1 1 104 104 SER H H 82 7.738 7.738 7.706 0.032 17995 6976 1 16 . 1 1 24 24 GLN N N 2 121.730 121.730 126.866 -5.136 17995 6977 1 16 . 1 1 24 24 GLN HA H 2 3.962 3.962 3.973 -0.011 17995 6978 1 16 . 1 1 24 24 GLN C C 2 177.291 177.291 177.527 -0.236 17995 6979 1 16 . 1 1 24 24 GLN CA C 2 58.391 58.391 58.607 -0.216 17995 6980 1 16 . 1 1 24 24 GLN CB C 2 28.710 28.710 28.404 0.306 17995 6981 1 16 . 1 1 24 24 GLN H H 2 8.511 8.511 8.751 -0.240 17995 6982 1 16 . 1 1 25 25 HIS N N 3 116.878 116.878 119.454 -2.576 17995 6983 1 16 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.632 0.471 17995 6984 1 16 . 1 1 25 25 HIS C C 3 175.501 175.501 177.333 -1.832 17995 6985 1 16 . 1 1 25 25 HIS CA C 3 56.347 56.347 56.493 -0.146 17995 6986 1 16 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.314 1.313 17995 6987 1 16 . 1 1 25 25 HIS H H 3 8.216 8.216 8.374 -0.158 17995 6988 1 16 . 1 1 26 26 LEU N N 4 121.540 121.540 120.231 1.309 17995 6989 1 16 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.138 -0.445 17995 6990 1 16 . 1 1 26 26 LEU C C 4 177.649 177.649 178.381 -0.732 17995 6991 1 16 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.285 1.418 17995 6992 1 16 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.541 0.794 17995 6993 1 16 . 1 1 26 26 LEU H H 4 7.447 7.447 8.086 -0.639 17995 6994 1 16 . 1 1 27 27 GLU N N 5 118.441 118.441 120.146 -1.705 17995 6995 1 16 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.926 -0.035 17995 6996 1 16 . 1 1 27 27 GLU C C 5 178.162 178.162 178.453 -0.291 17995 6997 1 16 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.449 0.173 17995 6998 1 16 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.643 -0.566 17995 6999 1 16 . 1 1 27 27 GLU H H 5 8.561 8.561 7.799 0.762 17995 7000 1 16 . 1 1 28 28 ALA N N 6 122.005 122.005 121.770 0.235 17995 7001 1 16 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.114 0.017 17995 7002 1 16 . 1 1 28 28 ALA C C 6 180.421 180.421 180.046 0.375 17995 7003 1 16 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.867 0.412 17995 7004 1 16 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.243 0.523 17995 7005 1 16 . 1 1 28 28 ALA H H 6 8.205 8.205 8.174 0.031 17995 7006 1 16 . 1 1 29 29 VAL N N 7 116.985 116.985 119.440 -2.455 17995 7007 1 16 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.750 -0.241 17995 7008 1 16 . 1 1 29 29 VAL C C 7 177.034 177.034 177.761 -0.727 17995 7009 1 16 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.742 -0.379 17995 7010 1 16 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.670 -0.231 17995 7011 1 16 . 1 1 29 29 VAL H H 7 8.392 8.392 8.090 0.302 17995 7012 1 16 . 1 1 30 30 ARG N N 8 121.674 121.674 119.407 2.267 17995 7013 1 16 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.018 -0.354 17995 7014 1 16 . 1 1 30 30 ARG C C 8 177.810 177.810 178.374 -0.564 17995 7015 1 16 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.303 1.222 17995 7016 1 16 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.353 1.313 17995 7017 1 16 . 1 1 30 30 ARG H H 8 8.784 8.784 8.311 0.473 17995 7018 1 16 . 1 1 31 31 ASN N N 9 118.102 118.102 118.662 -0.560 17995 7019 1 16 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.508 -0.224 17995 7020 1 16 . 1 1 31 31 ASN C C 9 177.890 177.890 177.325 0.565 17995 7021 1 16 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.027 0.227 17995 7022 1 16 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.198 -0.610 17995 7023 1 16 . 1 1 31 31 ASN H H 9 8.144 8.144 7.894 0.250 17995 7024 1 16 . 1 1 32 32 ILE N N 10 123.614 123.614 120.270 3.344 17995 7025 1 16 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.506 0.286 17995 7026 1 16 . 1 1 32 32 ILE C C 10 177.810 177.810 177.771 0.039 17995 7027 1 16 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.111 0.147 17995 7028 1 16 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.968 0.766 17995 7029 1 16 . 1 1 32 32 ILE H H 10 8.137 8.137 7.631 0.506 17995 7030 1 16 . 1 1 33 33 LEU N N 11 119.797 119.797 119.875 -0.078 17995 7031 1 16 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.996 -0.210 17995 7032 1 16 . 1 1 33 33 LEU C C 11 179.039 179.039 179.456 -0.417 17995 7033 1 16 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.082 0.628 17995 7034 1 16 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.438 0.638 17995 7035 1 16 . 1 1 33 33 LEU H H 11 8.637 8.637 8.386 0.251 17995 7036 1 16 . 1 1 34 34 GLY N N 12 103.682 103.682 105.425 -1.743 17995 7037 1 16 . 1 1 34 34 GLY C C 12 175.242 175.242 174.922 0.320 17995 7038 1 16 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.663 1.056 17995 7039 1 16 . 1 1 34 34 GLY H H 12 8.513 8.513 8.312 0.201 17995 7040 1 16 . 1 1 35 35 ASP N N 13 122.235 122.235 120.719 1.516 17995 7041 1 16 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.505 0.080 17995 7042 1 16 . 1 1 35 35 ASP C C 13 179.013 179.013 177.899 1.114 17995 7043 1 16 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.680 0.236 17995 7044 1 16 . 1 1 35 35 ASP CB C 13 41.046 41.046 40.970 0.076 17995 7045 1 16 . 1 1 35 35 ASP H H 13 7.968 7.968 7.669 0.299 17995 7046 1 16 . 1 1 36 36 VAL N N 14 120.841 120.841 118.623 2.218 17995 7047 1 16 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.866 -0.189 17995 7048 1 16 . 1 1 36 36 VAL C C 14 177.797 177.797 177.178 0.619 17995 7049 1 16 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.353 0.651 17995 7050 1 16 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.504 -0.272 17995 7051 1 16 . 1 1 36 36 VAL H H 14 8.765 8.765 8.001 0.764 17995 7052 1 16 . 1 1 37 37 LEU N N 15 114.630 114.630 116.324 -1.694 17995 7053 1 16 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.502 -0.221 17995 7054 1 16 . 1 1 37 37 LEU C C 15 175.483 175.483 176.163 -0.680 17995 7055 1 16 . 1 1 37 37 LEU CA C 15 54.170 54.170 53.772 0.398 17995 7056 1 16 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.157 -0.463 17995 7057 1 16 . 1 1 37 37 LEU H H 15 7.942 7.942 7.800 0.142 17995 7058 1 16 . 1 1 38 38 ASN N N 16 116.887 116.887 116.419 0.468 17995 7059 1 16 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.586 -0.052 17995 7060 1 16 . 1 1 38 38 ASN C C 16 175.668 175.668 175.557 0.111 17995 7061 1 16 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.608 0.312 17995 7062 1 16 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.882 -1.024 17995 7063 1 16 . 1 1 38 38 ASN H H 16 7.561 7.561 7.588 -0.027 17995 7064 1 16 . 1 1 39 39 LEU N N 17 114.676 114.676 119.476 -4.800 17995 7065 1 16 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.259 -0.189 17995 7066 1 16 . 1 1 39 39 LEU C C 17 178.415 178.415 177.977 0.438 17995 7067 1 16 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.362 0.382 17995 7068 1 16 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.645 0.631 17995 7069 1 16 . 1 1 39 39 LEU H H 17 8.233 8.233 7.718 0.515 17995 7070 1 16 . 1 1 40 40 GLY N N 18 109.665 109.665 107.233 2.432 17995 7071 1 16 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.774 -0.469 17995 7072 1 16 . 1 1 40 40 GLY H H 18 8.678 8.678 7.768 0.910 17995 7073 1 16 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.159 -0.031 17995 7074 1 16 . 1 1 41 41 GLU C C 19 178.328 178.328 177.861 0.467 17995 7075 1 16 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.215 1.049 17995 7076 1 16 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.612 -0.532 17995 7077 1 16 . 1 1 42 42 ARG N N 20 118.936 118.936 121.596 -2.660 17995 7078 1 16 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.120 0.055 17995 7079 1 16 . 1 1 42 42 ARG C C 20 178.912 178.912 177.918 0.994 17995 7080 1 16 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.723 -0.486 17995 7081 1 16 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.349 -0.293 17995 7082 1 16 . 1 1 42 42 ARG H H 20 7.979 7.979 8.050 -0.071 17995 7083 1 16 . 1 1 43 43 LYS N N 21 119.087 119.087 112.668 6.419 17995 7084 1 16 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.077 -0.329 17995 7085 1 16 . 1 1 43 43 LYS C C 21 176.559 176.559 177.017 -0.458 17995 7086 1 16 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.681 0.417 17995 7087 1 16 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.757 0.224 17995 7088 1 16 . 1 1 43 43 LYS H H 21 7.719 7.719 8.297 -0.578 17995 7089 1 16 . 1 1 44 44 HIS N N 22 115.571 115.571 117.303 -1.732 17995 7090 1 16 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.594 -0.166 17995 7091 1 16 . 1 1 44 44 HIS C C 22 176.288 176.288 176.586 -0.298 17995 7092 1 16 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.204 -0.420 17995 7093 1 16 . 1 1 44 44 HIS CB C 22 30.470 30.470 31.087 -0.617 17995 7094 1 16 . 1 1 44 44 HIS H H 22 7.124 7.124 7.657 -0.532 17995 7095 1 16 . 1 1 45 45 THR N N 23 107.890 107.890 114.610 -6.720 17995 7096 1 16 . 1 1 45 45 THR HA H 23 4.355 4.355 4.242 0.113 17995 7097 1 16 . 1 1 45 45 THR C C 23 174.650 174.650 175.319 -0.669 17995 7098 1 16 . 1 1 45 45 THR CA C 23 61.627 61.627 62.831 -1.204 17995 7099 1 16 . 1 1 45 45 THR CB C 23 69.475 69.475 69.112 0.363 17995 7100 1 16 . 1 1 45 45 THR H H 23 7.441 7.441 8.018 -0.577 17995 7101 1 16 . 1 1 46 46 LEU N N 24 121.435 121.435 118.123 3.312 17995 7102 1 16 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.733 -0.110 17995 7103 1 16 . 1 1 46 46 LEU C C 24 176.537 176.537 175.028 1.509 17995 7104 1 16 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.519 1.071 17995 7105 1 16 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.392 0.725 17995 7106 1 16 . 1 1 46 46 LEU H H 24 7.059 7.059 7.279 -0.220 17995 7107 1 16 . 1 1 47 47 THR N N 25 116.104 116.104 107.786 8.318 17995 7108 1 16 . 1 1 47 47 THR HA H 25 4.605 4.605 4.517 0.088 17995 7109 1 16 . 1 1 47 47 THR C C 25 175.526 175.526 175.718 -0.192 17995 7110 1 16 . 1 1 47 47 THR CA C 25 59.878 59.878 59.920 -0.042 17995 7111 1 16 . 1 1 47 47 THR CB C 25 71.752 71.752 70.761 0.991 17995 7112 1 16 . 1 1 47 47 THR H H 25 9.432 9.432 7.657 1.775 17995 7113 1 16 . 1 1 48 48 ALA N N 26 122.234 122.234 121.367 0.867 17995 7114 1 16 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.169 -0.360 17995 7115 1 16 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.699 0.894 17995 7116 1 16 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.389 0.265 17995 7117 1 16 . 1 1 48 48 ALA H H 26 9.142 9.142 8.561 0.581 17995 7118 1 16 . 1 1 49 49 SER HA H 27 4.448 4.448 4.383 0.065 17995 7119 1 16 . 1 1 49 49 SER C C 27 174.637 174.637 174.514 0.123 17995 7120 1 16 . 1 1 49 49 SER CA C 27 58.348 58.348 59.153 -0.805 17995 7121 1 16 . 1 1 49 49 SER CB C 27 63.704 63.704 62.805 0.899 17995 7122 1 16 . 1 1 50 50 SER N N 28 122.032 122.032 118.293 3.739 17995 7123 1 16 . 1 1 50 50 SER HA H 28 4.269 4.269 4.407 -0.138 17995 7124 1 16 . 1 1 50 50 SER C C 28 172.904 172.904 173.145 -0.241 17995 7125 1 16 . 1 1 50 50 SER CA C 28 60.846 60.846 58.797 2.049 17995 7126 1 16 . 1 1 50 50 SER CB C 28 63.063 63.063 63.790 -0.727 17995 7127 1 16 . 1 1 50 50 SER H H 28 8.157 8.157 7.426 0.731 17995 7128 1 16 . 1 1 51 51 VAL N N 29 127.079 127.079 127.484 -0.405 17995 7129 1 16 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.230 0.112 17995 7130 1 16 . 1 1 51 51 VAL C C 29 176.612 176.612 175.428 1.184 17995 7131 1 16 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.967 -0.519 17995 7132 1 16 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.381 -0.156 17995 7133 1 16 . 1 1 51 51 VAL H H 29 8.505 8.505 8.558 -0.053 17995 7134 1 16 . 1 1 52 52 LEU N N 30 126.014 126.014 124.237 1.777 17995 7135 1 16 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.545 0.250 17995 7136 1 16 . 1 1 52 52 LEU C C 30 176.569 176.569 177.596 -1.027 17995 7137 1 16 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.288 -0.756 17995 7138 1 16 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.052 -2.048 17995 7139 1 16 . 1 1 52 52 LEU H H 30 7.954 7.954 8.325 -0.371 17995 7140 1 16 . 1 1 53 53 LEU N N 31 122.601 122.601 119.307 3.294 17995 7141 1 16 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.852 0.234 17995 7142 1 16 . 1 1 53 53 LEU C C 31 177.683 177.683 178.793 -1.110 17995 7143 1 16 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.450 0.924 17995 7144 1 16 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.077 0.742 17995 7145 1 16 . 1 1 53 53 LEU H H 31 7.777 7.777 7.591 0.186 17995 7146 1 16 . 1 1 54 54 GLY N N 32 114.941 114.941 114.385 0.556 17995 7147 1 16 . 1 1 54 54 GLY C C 32 173.612 173.612 174.456 -0.844 17995 7148 1 16 . 1 1 54 54 GLY CA C 32 45.558 45.558 46.320 -0.762 17995 7149 1 16 . 1 1 54 54 GLY H H 32 9.121 9.121 9.088 0.033 17995 7150 1 16 . 1 1 55 55 ASN N N 33 117.901 117.901 120.833 -2.932 17995 7151 1 16 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.683 0.247 17995 7152 1 16 . 1 1 55 55 ASN C C 33 174.458 174.458 176.331 -1.873 17995 7153 1 16 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.565 -0.746 17995 7154 1 16 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.243 2.304 17995 7155 1 16 . 1 1 55 55 ASN H H 33 7.789 7.789 7.775 0.014 17995 7156 1 16 . 1 1 56 56 ILE N N 34 120.163 120.163 122.360 -2.197 17995 7157 1 16 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.321 0.216 17995 7158 1 16 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.189 -0.188 17995 7159 1 16 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.225 1.868 17995 7160 1 16 . 1 1 56 56 ILE H H 34 7.703 7.703 7.953 -0.250 17995 7161 1 16 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.455 -0.282 17995 7162 1 16 . 1 1 57 57 PRO C C 35 177.969 177.969 176.647 1.322 17995 7163 1 16 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.184 1.092 17995 7164 1 16 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.013 -0.079 17995 7165 1 16 . 1 1 58 58 GLU N N 36 116.701 116.701 117.439 -0.738 17995 7166 1 16 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.465 -0.493 17995 7167 1 16 . 1 1 58 58 GLU C C 36 176.612 176.612 175.256 1.356 17995 7168 1 16 . 1 1 58 58 GLU CA C 36 59.347 59.347 56.056 3.291 17995 7169 1 16 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.622 0.210 17995 7170 1 16 . 1 1 58 58 GLU H H 36 9.581 9.581 8.283 1.298 17995 7171 1 16 . 1 1 59 59 LEU N N 37 121.189 121.189 123.624 -2.435 17995 7172 1 16 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.526 -0.214 17995 7173 1 16 . 1 1 59 59 LEU C C 37 173.353 173.353 174.770 -1.417 17995 7174 1 16 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.211 -0.933 17995 7175 1 16 . 1 1 59 59 LEU CB C 37 40.999 40.999 42.222 -1.223 17995 7176 1 16 . 1 1 59 59 LEU H H 37 7.560 7.560 7.381 0.179 17995 7177 1 16 . 1 1 60 60 ASP N N 38 126.468 126.468 124.287 2.181 17995 7178 1 16 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.763 -0.048 17995 7179 1 16 . 1 1 60 60 ASP C C 38 175.828 175.828 176.416 -0.588 17995 7180 1 16 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.679 -0.759 17995 7181 1 16 . 1 1 60 60 ASP CB C 38 41.556 41.556 42.447 -0.891 17995 7182 1 16 . 1 1 60 60 ASP H H 38 7.527 7.527 7.955 -0.427 17995 7183 1 16 . 1 1 61 61 SER N N 39 113.128 113.128 114.535 -1.407 17995 7184 1 16 . 1 1 61 61 SER HA H 39 4.019 4.019 4.141 -0.122 17995 7185 1 16 . 1 1 61 61 SER C C 39 175.854 175.854 176.893 -1.039 17995 7186 1 16 . 1 1 61 61 SER CA C 39 61.276 61.276 61.502 -0.226 17995 7187 1 16 . 1 1 61 61 SER CB C 39 65.520 65.520 63.016 2.504 17995 7188 1 16 . 1 1 61 61 SER H H 39 8.623 8.623 8.408 0.215 17995 7189 1 16 . 1 1 62 62 MET N N 40 121.706 121.706 119.148 2.558 17995 7190 1 16 . 1 1 62 62 MET HA H 40 4.303 4.303 4.318 -0.015 17995 7191 1 16 . 1 1 62 62 MET C C 40 177.755 177.755 178.052 -0.297 17995 7192 1 16 . 1 1 62 62 MET CA C 40 57.714 57.714 56.269 1.445 17995 7193 1 16 . 1 1 62 62 MET CB C 40 32.386 32.386 31.260 1.126 17995 7194 1 16 . 1 1 62 62 MET H H 40 7.802 7.802 8.100 -0.298 17995 7195 1 16 . 1 1 63 63 ALA N N 41 124.277 124.277 122.112 2.165 17995 7196 1 16 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.180 -0.009 17995 7197 1 16 . 1 1 63 63 ALA C C 41 179.893 179.893 179.716 0.177 17995 7198 1 16 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.149 -0.048 17995 7199 1 16 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.758 1.898 17995 7200 1 16 . 1 1 63 63 ALA H H 41 8.295 8.295 8.363 -0.068 17995 7201 1 16 . 1 1 64 64 VAL N N 42 118.186 118.186 116.252 1.934 17995 7202 1 16 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.504 -0.511 17995 7203 1 16 . 1 1 64 64 VAL C C 42 177.327 177.327 177.333 -0.006 17995 7204 1 16 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.667 1.645 17995 7205 1 16 . 1 1 64 64 VAL CB C 42 31.192 31.192 30.521 0.671 17995 7206 1 16 . 1 1 64 64 VAL H H 42 8.019 8.019 7.552 0.467 17995 7207 1 16 . 1 1 65 65 VAL N N 43 118.361 118.361 121.561 -3.200 17995 7208 1 16 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.471 0.093 17995 7209 1 16 . 1 1 65 65 VAL C C 43 178.520 178.520 178.117 0.403 17995 7210 1 16 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.426 0.131 17995 7211 1 16 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.071 0.429 17995 7212 1 16 . 1 1 65 65 VAL H H 43 6.942 6.942 7.301 -0.359 17995 7213 1 16 . 1 1 66 66 ASN N N 44 119.476 119.476 118.496 0.980 17995 7214 1 16 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.487 0.075 17995 7215 1 16 . 1 1 66 66 ASN C C 44 178.760 178.760 178.082 0.678 17995 7216 1 16 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.295 -0.459 17995 7217 1 16 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.199 -0.392 17995 7218 1 16 . 1 1 66 66 ASN H H 44 7.789 7.789 8.170 -0.381 17995 7219 1 16 . 1 1 67 67 VAL N N 45 124.029 124.029 116.799 7.230 17995 7220 1 16 . 1 1 67 67 VAL HA H 45 3.618 3.618 4.109 -0.491 17995 7221 1 16 . 1 1 67 67 VAL C C 45 177.100 177.100 177.833 -0.733 17995 7222 1 16 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.160 2.206 17995 7223 1 16 . 1 1 67 67 VAL CB C 45 31.460 31.460 30.927 0.533 17995 7224 1 16 . 1 1 67 67 VAL H H 45 9.055 9.055 7.756 1.299 17995 7225 1 16 . 1 1 68 68 ILE N N 46 121.006 121.006 123.326 -2.320 17995 7226 1 16 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.783 0.005 17995 7227 1 16 . 1 1 68 68 ILE C C 46 177.871 177.871 177.907 -0.036 17995 7228 1 16 . 1 1 68 68 ILE CA C 46 65.262 65.262 66.089 -0.827 17995 7229 1 16 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.403 -1.236 17995 7230 1 16 . 1 1 68 68 ILE H H 46 8.509 8.509 7.746 0.763 17995 7231 1 16 . 1 1 69 69 THR N N 47 116.096 116.096 116.050 0.046 17995 7232 1 16 . 1 1 69 69 THR HA H 47 4.391 4.391 3.911 0.480 17995 7233 1 16 . 1 1 69 69 THR C C 47 176.365 176.365 176.172 0.193 17995 7234 1 16 . 1 1 69 69 THR CA C 47 66.256 66.256 67.205 -0.949 17995 7235 1 16 . 1 1 69 69 THR CB C 47 69.098 69.098 68.259 0.839 17995 7236 1 16 . 1 1 69 69 THR H H 47 8.512 8.512 7.892 0.620 17995 7237 1 16 . 1 1 70 70 ALA N N 48 123.948 123.948 123.902 0.046 17995 7238 1 16 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.159 0.144 17995 7239 1 16 . 1 1 70 70 ALA C C 48 181.452 181.452 179.637 1.815 17995 7240 1 16 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.188 -0.005 17995 7241 1 16 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.321 1.101 17995 7242 1 16 . 1 1 70 70 ALA H H 48 7.802 7.802 7.927 -0.125 17995 7243 1 16 . 1 1 71 71 LEU N N 49 121.199 121.199 119.856 1.343 17995 7244 1 16 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.313 -0.090 17995 7245 1 16 . 1 1 71 71 LEU C C 49 178.192 178.192 179.716 -1.524 17995 7246 1 16 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.342 0.219 17995 7247 1 16 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.046 1.405 17995 7248 1 16 . 1 1 71 71 LEU H H 49 8.802 8.802 8.352 0.450 17995 7249 1 16 . 1 1 72 72 GLU N N 50 119.782 119.782 118.174 1.608 17995 7250 1 16 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.038 -0.548 17995 7251 1 16 . 1 1 72 72 GLU C C 50 180.303 180.303 179.546 0.757 17995 7252 1 16 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.124 0.727 17995 7253 1 16 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.926 2.182 17995 7254 1 16 . 1 1 72 72 GLU H H 50 8.762 8.762 8.007 0.755 17995 7255 1 16 . 1 1 73 73 GLU N N 51 116.902 116.902 118.799 -1.897 17995 7256 1 16 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.087 -0.035 17995 7257 1 16 . 1 1 73 73 GLU C C 51 178.334 178.334 178.878 -0.544 17995 7258 1 16 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.654 -0.036 17995 7259 1 16 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.347 0.735 17995 7260 1 16 . 1 1 73 73 GLU H H 51 7.953 7.953 7.754 0.199 17995 7261 1 16 . 1 1 74 74 TYR N N 52 119.999 119.999 116.792 3.207 17995 7262 1 16 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.295 -0.413 17995 7263 1 16 . 1 1 74 74 TYR C C 52 177.384 177.384 178.190 -0.806 17995 7264 1 16 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.032 0.568 17995 7265 1 16 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.595 1.050 17995 7266 1 16 . 1 1 74 74 TYR H H 52 8.078 8.078 8.057 0.021 17995 7267 1 16 . 1 1 75 75 PHE N N 53 113.650 113.650 114.922 -1.272 17995 7268 1 16 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.479 -0.293 17995 7269 1 16 . 1 1 75 75 PHE C C 53 174.485 174.485 175.622 -1.137 17995 7270 1 16 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.429 -0.185 17995 7271 1 16 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.569 0.471 17995 7272 1 16 . 1 1 75 75 PHE H H 53 8.244 8.244 8.186 0.058 17995 7273 1 16 . 1 1 76 76 ASP N N 54 119.712 119.712 118.764 0.948 17995 7274 1 16 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.590 -0.210 17995 7275 1 16 . 1 1 76 76 ASP C C 54 174.118 174.118 175.438 -1.320 17995 7276 1 16 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.652 -0.789 17995 7277 1 16 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.270 -0.114 17995 7278 1 16 . 1 1 76 76 ASP H H 54 7.596 7.596 8.130 -0.534 17995 7279 1 16 . 1 1 77 77 PHE N N 55 113.804 113.804 116.505 -2.701 17995 7280 1 16 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.942 0.133 17995 7281 1 16 . 1 1 77 77 PHE C C 55 174.384 174.384 173.122 1.262 17995 7282 1 16 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.569 -1.133 17995 7283 1 16 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.505 0.125 17995 7284 1 16 . 1 1 77 77 PHE H H 55 7.725 7.725 7.859 -0.134 17995 7285 1 16 . 1 1 78 78 SER N N 56 114.319 114.319 115.782 -1.463 17995 7286 1 16 . 1 1 78 78 SER HA H 56 5.149 5.149 4.765 0.384 17995 7287 1 16 . 1 1 78 78 SER C C 56 174.100 174.100 173.409 0.691 17995 7288 1 16 . 1 1 78 78 SER CA C 56 56.800 56.800 56.222 0.578 17995 7289 1 16 . 1 1 78 78 SER CB C 56 65.011 65.011 63.572 1.439 17995 7290 1 16 . 1 1 78 78 SER H H 56 8.727 8.727 8.336 0.391 17995 7291 1 16 . 1 1 79 79 VAL N N 57 128.316 128.316 127.746 0.570 17995 7292 1 16 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.886 0.358 17995 7293 1 16 . 1 1 79 79 VAL C C 57 175.637 175.637 175.230 0.407 17995 7294 1 16 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.565 -0.811 17995 7295 1 16 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.096 0.777 17995 7296 1 16 . 1 1 79 79 VAL H H 57 10.222 10.222 8.047 2.175 17995 7297 1 16 . 1 1 80 80 ASP N N 58 130.058 130.058 126.899 3.159 17995 7298 1 16 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.455 0.391 17995 7299 1 16 . 1 1 80 80 ASP C C 58 177.205 177.205 176.742 0.463 17995 7300 1 16 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.784 -1.308 17995 7301 1 16 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.036 -0.371 17995 7302 1 16 . 1 1 80 80 ASP H H 58 9.396 9.396 8.118 1.278 17995 7303 1 16 . 1 1 81 81 ASP N N 59 122.564 122.564 124.325 -1.761 17995 7304 1 16 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.403 -0.123 17995 7305 1 16 . 1 1 81 81 ASP C C 59 177.291 177.291 176.525 0.766 17995 7306 1 16 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.467 0.993 17995 7307 1 16 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.131 -0.401 17995 7308 1 16 . 1 1 81 81 ASP H H 59 8.696 8.696 8.813 -0.117 17995 7309 1 16 . 1 1 82 82 ASP N N 60 115.817 115.817 117.621 -1.804 17995 7310 1 16 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.541 0.018 17995 7311 1 16 . 1 1 82 82 ASP C C 60 176.939 176.939 177.128 -0.189 17995 7312 1 16 . 1 1 82 82 ASP CA C 60 54.861 54.861 55.692 -0.831 17995 7313 1 16 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.394 -0.979 17995 7314 1 16 . 1 1 82 82 ASP H H 60 8.460 8.460 7.898 0.562 17995 7315 1 16 . 1 1 83 83 GLU N N 61 118.478 118.478 118.508 -0.030 17995 7316 1 16 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.434 -0.133 17995 7317 1 16 . 1 1 83 83 GLU C C 61 175.841 175.841 177.016 -1.175 17995 7318 1 16 . 1 1 83 83 GLU CA C 61 57.304 57.304 57.035 0.269 17995 7319 1 16 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.684 0.807 17995 7320 1 16 . 1 1 83 83 GLU H H 61 7.903 7.903 7.717 0.186 17995 7321 1 16 . 1 1 84 84 ILE N N 62 117.759 117.759 122.218 -4.459 17995 7322 1 16 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.827 0.338 17995 7323 1 16 . 1 1 84 84 ILE C C 62 174.069 174.069 175.009 -0.940 17995 7324 1 16 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.394 -2.900 17995 7325 1 16 . 1 1 84 84 ILE CB C 62 39.135 39.135 36.961 2.174 17995 7326 1 16 . 1 1 84 84 ILE H H 62 7.396 7.396 7.528 -0.132 17995 7327 1 16 . 1 1 85 85 SER N N 63 119.980 119.980 121.539 -1.559 17995 7328 1 16 . 1 1 85 85 SER HA H 63 4.789 4.789 4.695 0.094 17995 7329 1 16 . 1 1 85 85 SER CA C 63 56.772 56.772 56.113 0.659 17995 7330 1 16 . 1 1 85 85 SER CB C 63 66.916 66.916 65.917 0.999 17995 7331 1 16 . 1 1 85 85 SER H H 63 8.384 8.384 8.125 0.259 17995 7332 1 16 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.306 -0.279 17995 7333 1 16 . 1 1 86 86 ALA C C 64 180.211 180.211 179.575 0.636 17995 7334 1 16 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.619 0.882 17995 7335 1 16 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.723 -0.713 17995 7336 1 16 . 1 1 87 87 GLN N N 65 116.123 116.123 114.960 1.163 17995 7337 1 16 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.317 -0.252 17995 7338 1 16 . 1 1 87 87 GLN C C 65 178.564 178.564 177.057 1.507 17995 7339 1 16 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.093 1.647 17995 7340 1 16 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.195 0.248 17995 7341 1 16 . 1 1 87 87 GLN H H 65 7.990 7.990 7.719 0.271 17995 7342 1 16 . 1 1 88 88 THR N N 66 119.153 119.153 114.419 4.734 17995 7343 1 16 . 1 1 88 88 THR HA H 66 3.631 3.631 3.726 -0.095 17995 7344 1 16 . 1 1 88 88 THR C C 66 174.748 174.748 174.244 0.504 17995 7345 1 16 . 1 1 88 88 THR CA C 66 66.591 66.591 65.105 1.486 17995 7346 1 16 . 1 1 88 88 THR CB C 66 68.702 68.702 68.625 0.077 17995 7347 1 16 . 1 1 88 88 THR H H 66 7.738 7.738 7.304 0.434 17995 7348 1 16 . 1 1 89 89 PHE N N 67 115.088 115.088 116.615 -1.527 17995 7349 1 16 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.714 -0.477 17995 7350 1 16 . 1 1 89 89 PHE C C 67 173.600 173.600 176.803 -3.203 17995 7351 1 16 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.544 -0.022 17995 7352 1 16 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.379 0.327 17995 7353 1 16 . 1 1 89 89 PHE H H 67 7.180 7.180 7.434 -0.254 17995 7354 1 16 . 1 1 90 90 GLU N N 68 122.222 122.222 120.084 2.138 17995 7355 1 16 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.127 0.040 17995 7356 1 16 . 1 1 90 90 GLU C C 68 178.581 178.581 176.771 1.810 17995 7357 1 16 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.269 1.457 17995 7358 1 16 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.716 1.032 17995 7359 1 16 . 1 1 90 90 GLU H H 68 7.421 7.421 8.030 -0.609 17995 7360 1 16 . 1 1 91 91 THR N N 69 106.383 106.383 107.871 -1.488 17995 7361 1 16 . 1 1 91 91 THR HA H 69 5.477 5.477 4.934 0.543 17995 7362 1 16 . 1 1 91 91 THR C C 69 174.775 174.775 174.767 0.008 17995 7363 1 16 . 1 1 91 91 THR CA C 69 58.798 58.798 59.545 -0.747 17995 7364 1 16 . 1 1 91 91 THR CB C 69 74.841 74.841 72.854 1.987 17995 7365 1 16 . 1 1 91 91 THR H H 69 8.534 8.534 7.311 1.223 17995 7366 1 16 . 1 1 92 92 LEU N N 70 120.326 120.326 122.437 -2.111 17995 7367 1 16 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.133 0.010 17995 7368 1 16 . 1 1 92 92 LEU C C 70 178.174 178.174 178.088 0.086 17995 7369 1 16 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.497 0.769 17995 7370 1 16 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.221 -1.351 17995 7371 1 16 . 1 1 92 92 LEU H H 70 7.991 7.991 8.451 -0.460 17995 7372 1 16 . 1 1 93 93 GLY N N 71 106.588 106.588 105.174 1.414 17995 7373 1 16 . 1 1 93 93 GLY C C 71 175.300 175.300 176.174 -0.874 17995 7374 1 16 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.498 -0.161 17995 7375 1 16 . 1 1 93 93 GLY H H 71 9.019 9.019 8.322 0.697 17995 7376 1 16 . 1 1 94 94 SER N N 72 120.200 120.200 118.311 1.889 17995 7377 1 16 . 1 1 94 94 SER HA H 72 4.090 4.090 4.388 -0.298 17995 7378 1 16 . 1 1 94 94 SER C C 72 177.631 177.631 176.251 1.380 17995 7379 1 16 . 1 1 94 94 SER CA C 72 62.329 62.329 61.603 0.726 17995 7380 1 16 . 1 1 94 94 SER H H 72 8.709 8.709 7.459 1.250 17995 7381 1 16 . 1 1 95 95 LEU N N 73 129.169 129.169 122.341 6.828 17995 7382 1 16 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.870 0.370 17995 7383 1 16 . 1 1 95 95 LEU C C 73 176.439 176.439 179.205 -2.766 17995 7384 1 16 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.230 0.571 17995 7385 1 16 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.144 1.715 17995 7386 1 16 . 1 1 95 95 LEU H H 73 7.800 7.800 7.401 0.399 17995 7387 1 16 . 1 1 96 96 ALA N N 74 121.721 121.721 122.007 -0.286 17995 7388 1 16 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.956 0.033 17995 7389 1 16 . 1 1 96 96 ALA C C 74 180.456 180.456 179.676 0.780 17995 7390 1 16 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.328 0.374 17995 7391 1 16 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.275 -0.559 17995 7392 1 16 . 1 1 96 96 ALA H H 74 8.612 8.612 8.241 0.371 17995 7393 1 16 . 1 1 97 97 LEU N N 75 122.095 122.095 119.361 2.734 17995 7394 1 16 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.961 0.096 17995 7395 1 16 . 1 1 97 97 LEU C C 75 178.805 178.805 179.260 -0.455 17995 7396 1 16 . 1 1 97 97 LEU CA C 75 57.769 57.769 58.024 -0.255 17995 7397 1 16 . 1 1 97 97 LEU CB C 75 41.822 41.822 41.036 0.786 17995 7398 1 16 . 1 1 97 97 LEU H H 75 8.777 8.777 7.802 0.975 17995 7399 1 16 . 1 1 98 98 PHE N N 76 122.741 122.741 117.516 5.225 17995 7400 1 16 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.269 -0.007 17995 7401 1 16 . 1 1 98 98 PHE C C 76 176.878 176.878 178.636 -1.758 17995 7402 1 16 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.333 -1.101 17995 7403 1 16 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.419 0.130 17995 7404 1 16 . 1 1 98 98 PHE H H 76 7.889 7.889 8.250 -0.361 17995 7405 1 16 . 1 1 99 99 VAL N N 77 119.641 119.641 116.307 3.334 17995 7406 1 16 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.719 -0.941 17995 7407 1 16 . 1 1 99 99 VAL C C 77 176.414 176.414 177.931 -1.517 17995 7408 1 16 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.071 0.897 17995 7409 1 16 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.416 0.770 17995 7410 1 16 . 1 1 99 99 VAL H H 77 7.599 7.599 8.340 -0.741 17995 7411 1 16 . 1 1 100 100 GLU N N 78 118.850 118.850 121.844 -2.994 17995 7412 1 16 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.199 -0.426 17995 7413 1 16 . 1 1 100 100 GLU C C 78 179.007 179.007 179.102 -0.095 17995 7414 1 16 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.600 -0.060 17995 7415 1 16 . 1 1 100 100 GLU CB C 78 29.778 29.778 28.936 0.843 17995 7416 1 16 . 1 1 100 100 GLU H H 78 7.740 7.740 8.244 -0.504 17995 7417 1 16 . 1 1 101 101 HIS N N 79 120.328 120.328 117.357 2.971 17995 7418 1 16 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.323 -0.122 17995 7419 1 16 . 1 1 101 101 HIS C C 79 178.242 178.242 177.430 0.812 17995 7420 1 16 . 1 1 101 101 HIS CA C 79 59.238 59.238 59.713 -0.475 17995 7421 1 16 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.889 0.049 17995 7422 1 16 . 1 1 101 101 HIS H H 79 8.354 8.354 7.719 0.635 17995 7423 1 16 . 1 1 102 102 LYS N N 80 121.044 121.044 117.551 3.493 17995 7424 1 16 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.268 -0.701 17995 7425 1 16 . 1 1 102 102 LYS C C 80 179.199 179.199 179.427 -0.228 17995 7426 1 16 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.416 -1.429 17995 7427 1 16 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.522 -2.346 17995 7428 1 16 . 1 1 102 102 LYS H H 80 7.908 7.908 7.934 -0.026 17995 7429 1 16 . 1 1 103 103 LEU N N 81 118.698 118.698 118.846 -0.148 17995 7430 1 16 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.314 -0.156 17995 7431 1 16 . 1 1 103 103 LEU C C 81 178.593 178.593 178.206 0.387 17995 7432 1 16 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.199 0.197 17995 7433 1 16 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.565 1.744 17995 7434 1 16 . 1 1 103 103 LEU H H 81 7.784 7.784 8.246 -0.462 17995 7435 1 16 . 1 1 104 104 SER N N 82 114.826 114.826 112.733 2.093 17995 7436 1 16 . 1 1 104 104 SER HA H 82 4.358 4.358 4.499 -0.141 17995 7437 1 16 . 1 1 104 104 SER C C 82 174.810 174.810 173.737 1.073 17995 7438 1 16 . 1 1 104 104 SER CA C 82 59.567 59.567 59.417 0.150 17995 7439 1 16 . 1 1 104 104 SER CB C 82 63.859 63.859 63.575 0.284 17995 7440 1 16 . 1 1 104 104 SER H H 82 7.738 7.738 7.965 -0.227 17995 7441 1 17 . 1 1 24 24 GLN N N 2 121.730 121.730 120.835 0.895 17995 7442 1 17 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.439 -0.477 17995 7443 1 17 . 1 1 24 24 GLN C C 2 177.291 177.291 177.601 -0.310 17995 7444 1 17 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.254 1.137 17995 7445 1 17 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.329 -0.619 17995 7446 1 17 . 1 1 24 24 GLN H H 2 8.511 8.511 9.083 -0.572 17995 7447 1 17 . 1 1 25 25 HIS N N 3 116.878 116.878 121.091 -4.213 17995 7448 1 17 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.602 0.501 17995 7449 1 17 . 1 1 25 25 HIS C C 3 175.501 175.501 177.255 -1.754 17995 7450 1 17 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.849 -1.502 17995 7451 1 17 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.956 0.671 17995 7452 1 17 . 1 1 25 25 HIS H H 3 8.216 8.216 8.276 -0.060 17995 7453 1 17 . 1 1 26 26 LEU N N 4 121.540 121.540 118.857 2.683 17995 7454 1 17 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.105 -0.412 17995 7455 1 17 . 1 1 26 26 LEU C C 4 177.649 177.649 178.283 -0.634 17995 7456 1 17 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.057 1.646 17995 7457 1 17 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.052 1.283 17995 7458 1 17 . 1 1 26 26 LEU H H 4 7.447 7.447 8.187 -0.740 17995 7459 1 17 . 1 1 27 27 GLU N N 5 118.441 118.441 120.060 -1.619 17995 7460 1 17 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.920 -0.029 17995 7461 1 17 . 1 1 27 27 GLU C C 5 178.162 178.162 178.390 -0.228 17995 7462 1 17 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.361 0.261 17995 7463 1 17 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.553 -0.476 17995 7464 1 17 . 1 1 27 27 GLU H H 5 8.561 8.561 7.829 0.732 17995 7465 1 17 . 1 1 28 28 ALA N N 6 122.005 122.005 121.676 0.329 17995 7466 1 17 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.167 -0.035 17995 7467 1 17 . 1 1 28 28 ALA C C 6 180.421 180.421 180.042 0.379 17995 7468 1 17 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.752 0.527 17995 7469 1 17 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.330 0.436 17995 7470 1 17 . 1 1 28 28 ALA H H 6 8.205 8.205 7.696 0.509 17995 7471 1 17 . 1 1 29 29 VAL N N 7 116.985 116.985 119.648 -2.663 17995 7472 1 17 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.737 -0.228 17995 7473 1 17 . 1 1 29 29 VAL C C 7 177.034 177.034 177.780 -0.746 17995 7474 1 17 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.718 -0.355 17995 7475 1 17 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.627 -0.188 17995 7476 1 17 . 1 1 29 29 VAL H H 7 8.392 8.392 8.106 0.286 17995 7477 1 17 . 1 1 30 30 ARG N N 8 121.674 121.674 119.179 2.495 17995 7478 1 17 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.061 -0.397 17995 7479 1 17 . 1 1 30 30 ARG C C 8 177.810 177.810 178.353 -0.543 17995 7480 1 17 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.178 1.347 17995 7481 1 17 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.371 1.295 17995 7482 1 17 . 1 1 30 30 ARG H H 8 8.784 8.784 8.298 0.486 17995 7483 1 17 . 1 1 31 31 ASN N N 9 118.102 118.102 119.017 -0.915 17995 7484 1 17 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.510 -0.226 17995 7485 1 17 . 1 1 31 31 ASN C C 9 177.890 177.890 177.287 0.603 17995 7486 1 17 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.107 0.147 17995 7487 1 17 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.201 -0.613 17995 7488 1 17 . 1 1 31 31 ASN H H 9 8.144 8.144 7.899 0.245 17995 7489 1 17 . 1 1 32 32 ILE N N 10 123.614 123.614 120.241 3.373 17995 7490 1 17 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.522 0.270 17995 7491 1 17 . 1 1 32 32 ILE C C 10 177.810 177.810 177.707 0.103 17995 7492 1 17 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.198 0.060 17995 7493 1 17 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.972 0.762 17995 7494 1 17 . 1 1 32 32 ILE H H 10 8.137 8.137 7.775 0.362 17995 7495 1 17 . 1 1 33 33 LEU N N 11 119.797 119.797 120.151 -0.354 17995 7496 1 17 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.991 -0.205 17995 7497 1 17 . 1 1 33 33 LEU C C 11 179.039 179.039 179.423 -0.384 17995 7498 1 17 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.013 0.697 17995 7499 1 17 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.436 0.640 17995 7500 1 17 . 1 1 33 33 LEU H H 11 8.637 8.637 8.276 0.361 17995 7501 1 17 . 1 1 34 34 GLY N N 12 103.682 103.682 105.527 -1.845 17995 7502 1 17 . 1 1 34 34 GLY C C 12 175.242 175.242 175.174 0.068 17995 7503 1 17 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.823 0.895 17995 7504 1 17 . 1 1 34 34 GLY H H 12 8.513 8.513 8.386 0.127 17995 7505 1 17 . 1 1 35 35 ASP N N 13 122.235 122.235 121.482 0.753 17995 7506 1 17 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.578 0.007 17995 7507 1 17 . 1 1 35 35 ASP C C 13 179.013 179.013 177.988 1.025 17995 7508 1 17 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.276 0.640 17995 7509 1 17 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.166 -0.120 17995 7510 1 17 . 1 1 35 35 ASP H H 13 7.968 7.968 7.649 0.319 17995 7511 1 17 . 1 1 36 36 VAL N N 14 120.841 120.841 119.397 1.444 17995 7512 1 17 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.760 -0.083 17995 7513 1 17 . 1 1 36 36 VAL C C 14 177.797 177.797 177.830 -0.033 17995 7514 1 17 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.722 0.282 17995 7515 1 17 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.104 0.128 17995 7516 1 17 . 1 1 36 36 VAL H H 14 8.765 8.765 8.173 0.592 17995 7517 1 17 . 1 1 37 37 LEU N N 15 114.630 114.630 115.294 -0.664 17995 7518 1 17 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.344 -0.063 17995 7519 1 17 . 1 1 37 37 LEU C C 15 175.483 175.483 176.767 -1.284 17995 7520 1 17 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.669 -0.499 17995 7521 1 17 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.889 -0.195 17995 7522 1 17 . 1 1 37 37 LEU H H 15 7.942 7.942 7.946 -0.004 17995 7523 1 17 . 1 1 38 38 ASN N N 16 116.887 116.887 116.026 0.861 17995 7524 1 17 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.579 -0.045 17995 7525 1 17 . 1 1 38 38 ASN C C 16 175.668 175.668 175.370 0.298 17995 7526 1 17 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.840 0.080 17995 7527 1 17 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.634 -0.776 17995 7528 1 17 . 1 1 38 38 ASN H H 16 7.561 7.561 7.964 -0.403 17995 7529 1 17 . 1 1 39 39 LEU N N 17 114.676 114.676 118.330 -3.654 17995 7530 1 17 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.174 -0.104 17995 7531 1 17 . 1 1 39 39 LEU C C 17 178.415 178.415 178.283 0.132 17995 7532 1 17 . 1 1 39 39 LEU CA C 17 55.744 55.744 56.046 -0.302 17995 7533 1 17 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.288 1.988 17995 7534 1 17 . 1 1 39 39 LEU H H 17 8.233 8.233 8.285 -0.052 17995 7535 1 17 . 1 1 40 40 GLY N N 18 109.665 109.665 107.423 2.242 17995 7536 1 17 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.728 -0.423 17995 7537 1 17 . 1 1 40 40 GLY H H 18 8.678 8.678 7.789 0.889 17995 7538 1 17 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.241 -0.113 17995 7539 1 17 . 1 1 41 41 GLU C C 19 178.328 178.328 178.859 -0.531 17995 7540 1 17 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.423 0.841 17995 7541 1 17 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.735 -0.655 17995 7542 1 17 . 1 1 42 42 ARG N N 20 118.936 118.936 120.336 -1.400 17995 7543 1 17 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.180 -0.005 17995 7544 1 17 . 1 1 42 42 ARG C C 20 178.912 178.912 177.938 0.974 17995 7545 1 17 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.463 -0.226 17995 7546 1 17 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.313 -0.257 17995 7547 1 17 . 1 1 42 42 ARG H H 20 7.979 7.979 7.785 0.194 17995 7548 1 17 . 1 1 43 43 LYS N N 21 119.087 119.087 115.512 3.575 17995 7549 1 17 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.066 -0.318 17995 7550 1 17 . 1 1 43 43 LYS C C 21 176.559 176.559 177.740 -1.181 17995 7551 1 17 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.766 0.332 17995 7552 1 17 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.482 0.499 17995 7553 1 17 . 1 1 43 43 LYS H H 21 7.719 7.719 8.230 -0.511 17995 7554 1 17 . 1 1 44 44 HIS N N 22 115.571 115.571 117.424 -1.853 17995 7555 1 17 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.538 -0.110 17995 7556 1 17 . 1 1 44 44 HIS C C 22 176.288 176.288 176.100 0.188 17995 7557 1 17 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.589 -0.805 17995 7558 1 17 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.830 -0.360 17995 7559 1 17 . 1 1 44 44 HIS H H 22 7.124 7.124 7.744 -0.620 17995 7560 1 17 . 1 1 45 45 THR N N 23 107.890 107.890 112.847 -4.957 17995 7561 1 17 . 1 1 45 45 THR HA H 23 4.355 4.355 4.232 0.123 17995 7562 1 17 . 1 1 45 45 THR C C 23 174.650 174.650 175.248 -0.598 17995 7563 1 17 . 1 1 45 45 THR CA C 23 61.627 61.627 62.860 -1.233 17995 7564 1 17 . 1 1 45 45 THR CB C 23 69.475 69.475 69.305 0.170 17995 7565 1 17 . 1 1 45 45 THR H H 23 7.441 7.441 7.595 -0.154 17995 7566 1 17 . 1 1 46 46 LEU N N 24 121.435 121.435 119.486 1.949 17995 7567 1 17 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.789 -0.166 17995 7568 1 17 . 1 1 46 46 LEU C C 24 176.537 176.537 175.505 1.032 17995 7569 1 17 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.308 1.282 17995 7570 1 17 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.998 0.119 17995 7571 1 17 . 1 1 46 46 LEU H H 24 7.059 7.059 7.298 -0.239 17995 7572 1 17 . 1 1 47 47 THR N N 25 116.104 116.104 112.667 3.437 17995 7573 1 17 . 1 1 47 47 THR HA H 25 4.605 4.605 4.554 0.051 17995 7574 1 17 . 1 1 47 47 THR C C 25 175.526 175.526 175.959 -0.433 17995 7575 1 17 . 1 1 47 47 THR CA C 25 59.878 59.878 59.524 0.354 17995 7576 1 17 . 1 1 47 47 THR CB C 25 71.752 71.752 71.148 0.604 17995 7577 1 17 . 1 1 47 47 THR H H 25 9.432 9.432 7.858 1.574 17995 7578 1 17 . 1 1 48 48 ALA N N 26 122.234 122.234 121.680 0.554 17995 7579 1 17 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.133 -0.324 17995 7580 1 17 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.576 1.017 17995 7581 1 17 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.409 0.245 17995 7582 1 17 . 1 1 48 48 ALA H H 26 9.142 9.142 8.617 0.525 17995 7583 1 17 . 1 1 49 49 SER HA H 27 4.448 4.448 4.413 0.035 17995 7584 1 17 . 1 1 49 49 SER C C 27 174.637 174.637 174.253 0.384 17995 7585 1 17 . 1 1 49 49 SER CA C 27 58.348 58.348 59.167 -0.820 17995 7586 1 17 . 1 1 49 49 SER CB C 27 63.704 63.704 63.061 0.643 17995 7587 1 17 . 1 1 50 50 SER N N 28 122.032 122.032 117.523 4.509 17995 7588 1 17 . 1 1 50 50 SER HA H 28 4.269 4.269 4.465 -0.196 17995 7589 1 17 . 1 1 50 50 SER C C 28 172.904 172.904 173.441 -0.537 17995 7590 1 17 . 1 1 50 50 SER CA C 28 60.846 60.846 57.476 3.370 17995 7591 1 17 . 1 1 50 50 SER CB C 28 63.063 63.063 63.802 -0.739 17995 7592 1 17 . 1 1 50 50 SER H H 28 8.157 8.157 7.448 0.709 17995 7593 1 17 . 1 1 51 51 VAL N N 29 127.079 127.079 126.717 0.362 17995 7594 1 17 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.314 0.028 17995 7595 1 17 . 1 1 51 51 VAL C C 29 176.612 176.612 175.670 0.942 17995 7596 1 17 . 1 1 51 51 VAL CA C 29 62.448 62.448 62.816 -0.368 17995 7597 1 17 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.596 -0.372 17995 7598 1 17 . 1 1 51 51 VAL H H 29 8.505 8.505 8.597 -0.092 17995 7599 1 17 . 1 1 52 52 LEU N N 30 126.014 126.014 124.578 1.436 17995 7600 1 17 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.619 0.176 17995 7601 1 17 . 1 1 52 52 LEU C C 30 176.569 176.569 177.500 -0.931 17995 7602 1 17 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.211 -0.679 17995 7603 1 17 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.022 -2.018 17995 7604 1 17 . 1 1 52 52 LEU H H 30 7.954 7.954 8.345 -0.391 17995 7605 1 17 . 1 1 53 53 LEU N N 31 122.601 122.601 119.870 2.731 17995 7606 1 17 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.844 0.242 17995 7607 1 17 . 1 1 53 53 LEU C C 31 177.683 177.683 178.661 -0.978 17995 7608 1 17 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.635 0.739 17995 7609 1 17 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.227 0.592 17995 7610 1 17 . 1 1 53 53 LEU H H 31 7.777 7.777 7.565 0.212 17995 7611 1 17 . 1 1 54 54 GLY N N 32 114.941 114.941 113.396 1.545 17995 7612 1 17 . 1 1 54 54 GLY C C 32 173.612 173.612 174.348 -0.736 17995 7613 1 17 . 1 1 54 54 GLY CA C 32 45.558 45.558 46.136 -0.578 17995 7614 1 17 . 1 1 54 54 GLY H H 32 9.121 9.121 8.562 0.559 17995 7615 1 17 . 1 1 55 55 ASN N N 33 117.901 117.901 118.575 -0.674 17995 7616 1 17 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.728 0.202 17995 7617 1 17 . 1 1 55 55 ASN C C 33 174.458 174.458 175.910 -1.452 17995 7618 1 17 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.243 -0.424 17995 7619 1 17 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.283 2.264 17995 7620 1 17 . 1 1 55 55 ASN H H 33 7.789 7.789 8.038 -0.249 17995 7621 1 17 . 1 1 56 56 ILE N N 34 120.163 120.163 122.939 -2.776 17995 7622 1 17 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.316 0.221 17995 7623 1 17 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.190 -0.189 17995 7624 1 17 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.644 1.449 17995 7625 1 17 . 1 1 56 56 ILE H H 34 7.703 7.703 7.899 -0.196 17995 7626 1 17 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.411 -0.238 17995 7627 1 17 . 1 1 57 57 PRO C C 35 177.969 177.969 176.629 1.340 17995 7628 1 17 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.340 0.936 17995 7629 1 17 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.914 0.020 17995 7630 1 17 . 1 1 58 58 GLU N N 36 116.701 116.701 116.632 0.069 17995 7631 1 17 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.378 -0.406 17995 7632 1 17 . 1 1 58 58 GLU C C 36 176.612 176.612 176.066 0.546 17995 7633 1 17 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.918 3.429 17995 7634 1 17 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.678 0.154 17995 7635 1 17 . 1 1 58 58 GLU H H 36 9.581 9.581 8.556 1.025 17995 7636 1 17 . 1 1 59 59 LEU N N 37 121.189 121.189 124.075 -2.886 17995 7637 1 17 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.465 -0.153 17995 7638 1 17 . 1 1 59 59 LEU C C 37 173.353 173.353 175.369 -2.016 17995 7639 1 17 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.425 -1.147 17995 7640 1 17 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.111 0.888 17995 7641 1 17 . 1 1 59 59 LEU H H 37 7.560 7.560 7.407 0.153 17995 7642 1 17 . 1 1 60 60 ASP N N 38 126.468 126.468 123.512 2.956 17995 7643 1 17 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.780 -0.065 17995 7644 1 17 . 1 1 60 60 ASP C C 38 175.828 175.828 176.941 -1.113 17995 7645 1 17 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.352 -1.432 17995 7646 1 17 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.273 -2.717 17995 7647 1 17 . 1 1 60 60 ASP H H 38 7.527 7.527 7.687 -0.160 17995 7648 1 17 . 1 1 61 61 SER N N 39 113.128 113.128 115.559 -2.431 17995 7649 1 17 . 1 1 61 61 SER HA H 39 4.019 4.019 4.210 -0.192 17995 7650 1 17 . 1 1 61 61 SER C C 39 175.854 175.854 176.823 -0.969 17995 7651 1 17 . 1 1 61 61 SER CA C 39 61.276 61.276 61.647 -0.371 17995 7652 1 17 . 1 1 61 61 SER CB C 39 65.520 65.520 62.936 2.584 17995 7653 1 17 . 1 1 61 61 SER H H 39 8.623 8.623 8.515 0.108 17995 7654 1 17 . 1 1 62 62 MET N N 40 121.706 121.706 119.224 2.482 17995 7655 1 17 . 1 1 62 62 MET HA H 40 4.303 4.303 4.362 -0.059 17995 7656 1 17 . 1 1 62 62 MET C C 40 177.755 177.755 177.919 -0.164 17995 7657 1 17 . 1 1 62 62 MET CA C 40 57.714 57.714 56.129 1.585 17995 7658 1 17 . 1 1 62 62 MET CB C 40 32.386 32.386 31.247 1.139 17995 7659 1 17 . 1 1 62 62 MET H H 40 7.802 7.802 8.542 -0.740 17995 7660 1 17 . 1 1 63 63 ALA N N 41 124.277 124.277 121.877 2.400 17995 7661 1 17 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.186 -0.015 17995 7662 1 17 . 1 1 63 63 ALA C C 41 179.893 179.893 179.624 0.269 17995 7663 1 17 . 1 1 63 63 ALA CA C 41 55.101 55.101 55.023 0.078 17995 7664 1 17 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.812 1.844 17995 7665 1 17 . 1 1 63 63 ALA H H 41 8.295 8.295 8.278 0.017 17995 7666 1 17 . 1 1 64 64 VAL N N 42 118.186 118.186 116.459 1.727 17995 7667 1 17 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.527 -0.534 17995 7668 1 17 . 1 1 64 64 VAL C C 42 177.327 177.327 177.282 0.045 17995 7669 1 17 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.429 1.883 17995 7670 1 17 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.090 0.102 17995 7671 1 17 . 1 1 64 64 VAL H H 42 8.019 8.019 7.668 0.351 17995 7672 1 17 . 1 1 65 65 VAL N N 43 118.361 118.361 121.142 -2.781 17995 7673 1 17 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.453 0.111 17995 7674 1 17 . 1 1 65 65 VAL C C 43 178.520 178.520 177.995 0.525 17995 7675 1 17 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.630 -0.073 17995 7676 1 17 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.967 0.533 17995 7677 1 17 . 1 1 65 65 VAL H H 43 6.942 6.942 7.269 -0.327 17995 7678 1 17 . 1 1 66 66 ASN N N 44 119.476 119.476 118.514 0.962 17995 7679 1 17 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.493 0.069 17995 7680 1 17 . 1 1 66 66 ASN C C 44 178.760 178.760 178.164 0.596 17995 7681 1 17 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.340 -0.504 17995 7682 1 17 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.313 -0.506 17995 7683 1 17 . 1 1 66 66 ASN H H 44 7.789 7.789 8.145 -0.356 17995 7684 1 17 . 1 1 67 67 VAL N N 45 124.029 124.029 116.174 7.855 17995 7685 1 17 . 1 1 67 67 VAL HA H 45 3.618 3.618 4.041 -0.423 17995 7686 1 17 . 1 1 67 67 VAL C C 45 177.100 177.100 177.842 -0.742 17995 7687 1 17 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.606 1.760 17995 7688 1 17 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.694 -0.234 17995 7689 1 17 . 1 1 67 67 VAL H H 45 9.055 9.055 7.643 1.412 17995 7690 1 17 . 1 1 68 68 ILE N N 46 121.006 121.006 122.772 -1.766 17995 7691 1 17 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.802 -0.014 17995 7692 1 17 . 1 1 68 68 ILE C C 46 177.871 177.871 177.861 0.010 17995 7693 1 17 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.944 -0.682 17995 7694 1 17 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.597 -1.430 17995 7695 1 17 . 1 1 68 68 ILE H H 46 8.509 8.509 7.778 0.731 17995 7696 1 17 . 1 1 69 69 THR N N 47 116.096 116.096 115.817 0.279 17995 7697 1 17 . 1 1 69 69 THR HA H 47 4.391 4.391 3.867 0.524 17995 7698 1 17 . 1 1 69 69 THR C C 47 176.365 176.365 176.244 0.121 17995 7699 1 17 . 1 1 69 69 THR CA C 47 66.256 66.256 66.856 -0.600 17995 7700 1 17 . 1 1 69 69 THR CB C 47 69.098 69.098 68.578 0.520 17995 7701 1 17 . 1 1 69 69 THR H H 47 8.512 8.512 7.863 0.649 17995 7702 1 17 . 1 1 70 70 ALA N N 48 123.948 123.948 124.565 -0.617 17995 7703 1 17 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.119 0.184 17995 7704 1 17 . 1 1 70 70 ALA C C 48 181.452 181.452 179.661 1.791 17995 7705 1 17 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.375 -0.192 17995 7706 1 17 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.280 1.142 17995 7707 1 17 . 1 1 70 70 ALA H H 48 7.802 7.802 7.902 -0.100 17995 7708 1 17 . 1 1 71 71 LEU N N 49 121.199 121.199 119.332 1.867 17995 7709 1 17 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.312 -0.089 17995 7710 1 17 . 1 1 71 71 LEU C C 49 178.192 178.192 179.661 -1.469 17995 7711 1 17 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.593 -0.032 17995 7712 1 17 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.082 1.369 17995 7713 1 17 . 1 1 71 71 LEU H H 49 8.802 8.802 8.217 0.585 17995 7714 1 17 . 1 1 72 72 GLU N N 50 119.782 119.782 118.155 1.627 17995 7715 1 17 . 1 1 72 72 GLU HA H 50 3.490 3.490 3.968 -0.478 17995 7716 1 17 . 1 1 72 72 GLU C C 50 180.303 180.303 179.580 0.723 17995 7717 1 17 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.182 0.669 17995 7718 1 17 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.893 2.215 17995 7719 1 17 . 1 1 72 72 GLU H H 50 8.762 8.762 8.028 0.734 17995 7720 1 17 . 1 1 73 73 GLU N N 51 116.902 116.902 118.293 -1.391 17995 7721 1 17 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.128 -0.076 17995 7722 1 17 . 1 1 73 73 GLU C C 51 178.334 178.334 179.000 -0.666 17995 7723 1 17 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.644 -0.026 17995 7724 1 17 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.286 0.796 17995 7725 1 17 . 1 1 73 73 GLU H H 51 7.953 7.953 7.771 0.182 17995 7726 1 17 . 1 1 74 74 TYR N N 52 119.999 119.999 117.344 2.655 17995 7727 1 17 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.313 -0.431 17995 7728 1 17 . 1 1 74 74 TYR C C 52 177.384 177.384 177.913 -0.529 17995 7729 1 17 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.185 0.415 17995 7730 1 17 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.652 0.993 17995 7731 1 17 . 1 1 74 74 TYR H H 52 8.078 8.078 8.029 0.049 17995 7732 1 17 . 1 1 75 75 PHE N N 53 113.650 113.650 115.550 -1.900 17995 7733 1 17 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.525 -0.339 17995 7734 1 17 . 1 1 75 75 PHE C C 53 174.485 174.485 175.464 -0.979 17995 7735 1 17 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.299 -0.055 17995 7736 1 17 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.635 0.405 17995 7737 1 17 . 1 1 75 75 PHE H H 53 8.244 8.244 8.205 0.039 17995 7738 1 17 . 1 1 76 76 ASP N N 54 119.712 119.712 118.343 1.369 17995 7739 1 17 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.592 -0.212 17995 7740 1 17 . 1 1 76 76 ASP C C 54 174.118 174.118 175.443 -1.325 17995 7741 1 17 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.719 -0.856 17995 7742 1 17 . 1 1 76 76 ASP CB C 54 39.156 39.156 38.955 0.201 17995 7743 1 17 . 1 1 76 76 ASP H H 54 7.596 7.596 8.229 -0.633 17995 7744 1 17 . 1 1 77 77 PHE N N 55 113.804 113.804 117.023 -3.219 17995 7745 1 17 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.995 0.080 17995 7746 1 17 . 1 1 77 77 PHE C C 55 174.384 174.384 173.517 0.867 17995 7747 1 17 . 1 1 77 77 PHE CA C 55 54.436 54.436 56.167 -1.731 17995 7748 1 17 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.357 0.273 17995 7749 1 17 . 1 1 77 77 PHE H H 55 7.725 7.725 7.949 -0.224 17995 7750 1 17 . 1 1 78 78 SER N N 56 114.319 114.319 115.286 -0.967 17995 7751 1 17 . 1 1 78 78 SER HA H 56 5.149 5.149 4.796 0.353 17995 7752 1 17 . 1 1 78 78 SER C C 56 174.100 174.100 173.019 1.081 17995 7753 1 17 . 1 1 78 78 SER CA C 56 56.800 56.800 56.438 0.362 17995 7754 1 17 . 1 1 78 78 SER CB C 56 65.011 65.011 63.672 1.339 17995 7755 1 17 . 1 1 78 78 SER H H 56 8.727 8.727 8.300 0.427 17995 7756 1 17 . 1 1 79 79 VAL N N 57 128.316 128.316 128.482 -0.166 17995 7757 1 17 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.898 0.346 17995 7758 1 17 . 1 1 79 79 VAL C C 57 175.637 175.637 175.327 0.310 17995 7759 1 17 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.316 -1.562 17995 7760 1 17 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.946 0.927 17995 7761 1 17 . 1 1 79 79 VAL H H 57 10.222 10.222 8.015 2.207 17995 7762 1 17 . 1 1 80 80 ASP N N 58 130.058 130.058 126.677 3.381 17995 7763 1 17 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.530 0.316 17995 7764 1 17 . 1 1 80 80 ASP C C 58 177.205 177.205 176.842 0.363 17995 7765 1 17 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.477 -1.001 17995 7766 1 17 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.313 -0.648 17995 7767 1 17 . 1 1 80 80 ASP H H 58 9.396 9.396 8.201 1.195 17995 7768 1 17 . 1 1 81 81 ASP N N 59 122.564 122.564 125.150 -2.586 17995 7769 1 17 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.337 -0.057 17995 7770 1 17 . 1 1 81 81 ASP C C 59 177.291 177.291 177.531 -0.240 17995 7771 1 17 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.279 0.181 17995 7772 1 17 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.130 -0.400 17995 7773 1 17 . 1 1 81 81 ASP H H 59 8.696 8.696 8.797 -0.101 17995 7774 1 17 . 1 1 82 82 ASP N N 60 115.817 115.817 117.881 -2.064 17995 7775 1 17 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.539 0.020 17995 7776 1 17 . 1 1 82 82 ASP C C 60 176.939 176.939 177.481 -0.542 17995 7777 1 17 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.067 -1.206 17995 7778 1 17 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.236 -0.821 17995 7779 1 17 . 1 1 82 82 ASP H H 60 8.460 8.460 8.049 0.411 17995 7780 1 17 . 1 1 83 83 GLU N N 61 118.478 118.478 117.063 1.415 17995 7781 1 17 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.484 -0.183 17995 7782 1 17 . 1 1 83 83 GLU C C 61 175.841 175.841 177.243 -1.402 17995 7783 1 17 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.730 0.574 17995 7784 1 17 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.743 0.748 17995 7785 1 17 . 1 1 83 83 GLU H H 61 7.903 7.903 7.702 0.201 17995 7786 1 17 . 1 1 84 84 ILE N N 62 117.759 117.759 122.276 -4.517 17995 7787 1 17 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.970 0.195 17995 7788 1 17 . 1 1 84 84 ILE C C 62 174.069 174.069 175.120 -1.051 17995 7789 1 17 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.605 -3.111 17995 7790 1 17 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.317 1.818 17995 7791 1 17 . 1 1 84 84 ILE H H 62 7.396 7.396 7.524 -0.128 17995 7792 1 17 . 1 1 85 85 SER N N 63 119.980 119.980 121.276 -1.296 17995 7793 1 17 . 1 1 85 85 SER HA H 63 4.789 4.789 4.711 0.078 17995 7794 1 17 . 1 1 85 85 SER CA C 63 56.772 56.772 56.737 0.035 17995 7795 1 17 . 1 1 85 85 SER CB C 63 66.916 66.916 66.075 0.841 17995 7796 1 17 . 1 1 85 85 SER H H 63 8.384 8.384 8.117 0.267 17995 7797 1 17 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.246 -0.219 17995 7798 1 17 . 1 1 86 86 ALA C C 64 180.211 180.211 179.111 1.100 17995 7799 1 17 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.881 0.620 17995 7800 1 17 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.798 -0.788 17995 7801 1 17 . 1 1 87 87 GLN N N 65 116.123 116.123 114.128 1.995 17995 7802 1 17 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.288 -0.223 17995 7803 1 17 . 1 1 87 87 GLN C C 65 178.564 178.564 177.279 1.285 17995 7804 1 17 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.501 1.238 17995 7805 1 17 . 1 1 87 87 GLN CB C 65 28.443 28.443 28.327 0.116 17995 7806 1 17 . 1 1 87 87 GLN H H 65 7.990 7.990 7.749 0.241 17995 7807 1 17 . 1 1 88 88 THR N N 66 119.153 119.153 114.869 4.284 17995 7808 1 17 . 1 1 88 88 THR HA H 66 3.631 3.631 3.605 0.026 17995 7809 1 17 . 1 1 88 88 THR C C 66 174.748 174.748 174.912 -0.164 17995 7810 1 17 . 1 1 88 88 THR CA C 66 66.591 66.591 64.611 1.980 17995 7811 1 17 . 1 1 88 88 THR CB C 66 68.702 68.702 68.902 -0.200 17995 7812 1 17 . 1 1 88 88 THR H H 66 7.738 7.738 7.299 0.439 17995 7813 1 17 . 1 1 89 89 PHE N N 67 115.088 115.088 118.105 -3.017 17995 7814 1 17 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.711 -0.474 17995 7815 1 17 . 1 1 89 89 PHE C C 67 173.600 173.600 176.302 -2.702 17995 7816 1 17 . 1 1 89 89 PHE CA C 67 57.522 57.522 56.826 0.696 17995 7817 1 17 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.398 1.308 17995 7818 1 17 . 1 1 89 89 PHE H H 67 7.180 7.180 7.435 -0.255 17995 7819 1 17 . 1 1 90 90 GLU N N 68 122.222 122.222 120.533 1.689 17995 7820 1 17 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.089 0.078 17995 7821 1 17 . 1 1 90 90 GLU C C 68 178.581 178.581 176.350 2.231 17995 7822 1 17 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.552 1.174 17995 7823 1 17 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.636 1.112 17995 7824 1 17 . 1 1 90 90 GLU H H 68 7.421 7.421 7.882 -0.461 17995 7825 1 17 . 1 1 91 91 THR N N 69 106.383 106.383 107.388 -1.005 17995 7826 1 17 . 1 1 91 91 THR HA H 69 5.477 5.477 4.945 0.532 17995 7827 1 17 . 1 1 91 91 THR C C 69 174.775 174.775 174.694 0.081 17995 7828 1 17 . 1 1 91 91 THR CA C 69 58.798 58.798 58.889 -0.091 17995 7829 1 17 . 1 1 91 91 THR CB C 69 74.841 74.841 72.985 1.856 17995 7830 1 17 . 1 1 91 91 THR H H 69 8.534 8.534 7.181 1.353 17995 7831 1 17 . 1 1 92 92 LEU N N 70 120.326 120.326 122.863 -2.537 17995 7832 1 17 . 1 1 92 92 LEU HA H 70 4.143 4.143 3.976 0.167 17995 7833 1 17 . 1 1 92 92 LEU C C 70 178.174 178.174 178.197 -0.023 17995 7834 1 17 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.777 0.489 17995 7835 1 17 . 1 1 92 92 LEU CB C 70 40.870 40.870 41.888 -1.018 17995 7836 1 17 . 1 1 92 92 LEU H H 70 7.991 7.991 8.609 -0.618 17995 7837 1 17 . 1 1 93 93 GLY N N 71 106.588 106.588 105.336 1.252 17995 7838 1 17 . 1 1 93 93 GLY C C 71 175.300 175.300 175.895 -0.595 17995 7839 1 17 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.558 -0.221 17995 7840 1 17 . 1 1 93 93 GLY H H 71 9.019 9.019 8.223 0.796 17995 7841 1 17 . 1 1 94 94 SER N N 72 120.200 120.200 118.336 1.864 17995 7842 1 17 . 1 1 94 94 SER HA H 72 4.090 4.090 4.266 -0.176 17995 7843 1 17 . 1 1 94 94 SER C C 72 177.631 177.631 176.522 1.109 17995 7844 1 17 . 1 1 94 94 SER CA C 72 62.329 62.329 61.991 0.338 17995 7845 1 17 . 1 1 94 94 SER H H 72 8.709 8.709 7.422 1.287 17995 7846 1 17 . 1 1 95 95 LEU N N 73 129.169 129.169 121.005 8.164 17995 7847 1 17 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.811 0.429 17995 7848 1 17 . 1 1 95 95 LEU C C 73 176.439 176.439 178.815 -2.376 17995 7849 1 17 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.938 0.864 17995 7850 1 17 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.122 1.737 17995 7851 1 17 . 1 1 95 95 LEU H H 73 7.800 7.800 7.325 0.475 17995 7852 1 17 . 1 1 96 96 ALA N N 74 121.721 121.721 122.737 -1.016 17995 7853 1 17 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.965 0.024 17995 7854 1 17 . 1 1 96 96 ALA C C 74 180.456 180.456 179.914 0.542 17995 7855 1 17 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.309 0.393 17995 7856 1 17 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.375 -0.659 17995 7857 1 17 . 1 1 96 96 ALA H H 74 8.612 8.612 8.014 0.598 17995 7858 1 17 . 1 1 97 97 LEU N N 75 122.095 122.095 118.636 3.459 17995 7859 1 17 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.083 -0.026 17995 7860 1 17 . 1 1 97 97 LEU C C 75 178.805 178.805 179.514 -0.709 17995 7861 1 17 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.728 0.041 17995 7862 1 17 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.537 1.285 17995 7863 1 17 . 1 1 97 97 LEU H H 75 8.777 8.777 8.172 0.605 17995 7864 1 17 . 1 1 98 98 PHE N N 76 122.741 122.741 118.470 4.271 17995 7865 1 17 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.006 0.256 17995 7866 1 17 . 1 1 98 98 PHE C C 76 176.878 176.878 178.379 -1.501 17995 7867 1 17 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.188 -0.956 17995 7868 1 17 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.321 0.228 17995 7869 1 17 . 1 1 98 98 PHE H H 76 7.889 7.889 8.051 -0.162 17995 7870 1 17 . 1 1 99 99 VAL N N 77 119.641 119.641 115.692 3.949 17995 7871 1 17 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.588 -0.810 17995 7872 1 17 . 1 1 99 99 VAL C C 77 176.414 176.414 177.863 -1.449 17995 7873 1 17 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.172 0.796 17995 7874 1 17 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.155 0.031 17995 7875 1 17 . 1 1 99 99 VAL H H 77 7.599 7.599 8.377 -0.778 17995 7876 1 17 . 1 1 100 100 GLU N N 78 118.850 118.850 121.505 -2.655 17995 7877 1 17 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.240 -0.467 17995 7878 1 17 . 1 1 100 100 GLU C C 78 179.007 179.007 179.211 -0.204 17995 7879 1 17 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.492 0.049 17995 7880 1 17 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.086 0.692 17995 7881 1 17 . 1 1 100 100 GLU H H 78 7.740 7.740 8.232 -0.492 17995 7882 1 17 . 1 1 101 101 HIS N N 79 120.328 120.328 117.213 3.115 17995 7883 1 17 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.313 -0.112 17995 7884 1 17 . 1 1 101 101 HIS C C 79 178.242 178.242 177.217 1.025 17995 7885 1 17 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.212 1.026 17995 7886 1 17 . 1 1 101 101 HIS CB C 79 29.938 29.938 30.122 -0.184 17995 7887 1 17 . 1 1 101 101 HIS H H 79 8.354 8.354 7.844 0.510 17995 7888 1 17 . 1 1 102 102 LYS N N 80 121.044 121.044 118.938 2.106 17995 7889 1 17 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.223 -0.656 17995 7890 1 17 . 1 1 102 102 LYS C C 80 179.199 179.199 178.753 0.446 17995 7891 1 17 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.589 -1.602 17995 7892 1 17 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.217 -2.041 17995 7893 1 17 . 1 1 102 102 LYS H H 80 7.908 7.908 7.942 -0.035 17995 7894 1 17 . 1 1 103 103 LEU N N 81 118.698 118.698 117.305 1.393 17995 7895 1 17 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.292 -0.134 17995 7896 1 17 . 1 1 103 103 LEU C C 81 178.593 178.593 178.077 0.516 17995 7897 1 17 . 1 1 103 103 LEU CA C 81 56.396 56.396 56.436 -0.040 17995 7898 1 17 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.857 1.452 17995 7899 1 17 . 1 1 103 103 LEU H H 81 7.784 7.784 7.896 -0.112 17995 7900 1 17 . 1 1 104 104 SER N N 82 114.826 114.826 111.650 3.176 17995 7901 1 17 . 1 1 104 104 SER HA H 82 4.358 4.358 4.546 -0.188 17995 7902 1 17 . 1 1 104 104 SER C C 82 174.810 174.810 174.411 0.399 17995 7903 1 17 . 1 1 104 104 SER CA C 82 59.567 59.567 57.727 1.840 17995 7904 1 17 . 1 1 104 104 SER CB C 82 63.859 63.859 63.677 0.182 17995 7905 1 17 . 1 1 104 104 SER H H 82 7.738 7.738 7.691 0.047 17995 7906 1 18 . 1 1 24 24 GLN N N 2 121.730 121.730 122.590 -0.860 17995 7907 1 18 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.271 -0.309 17995 7908 1 18 . 1 1 24 24 GLN C C 2 177.291 177.291 177.442 -0.151 17995 7909 1 18 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.110 1.281 17995 7910 1 18 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.075 -0.365 17995 7911 1 18 . 1 1 24 24 GLN H H 2 8.511 8.511 9.109 -0.598 17995 7912 1 18 . 1 1 25 25 HIS N N 3 116.878 116.878 120.498 -3.620 17995 7913 1 18 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.595 0.508 17995 7914 1 18 . 1 1 25 25 HIS C C 3 175.501 175.501 177.436 -1.935 17995 7915 1 18 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.458 -2.111 17995 7916 1 18 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.966 0.661 17995 7917 1 18 . 1 1 25 25 HIS H H 3 8.216 8.216 8.633 -0.417 17995 7918 1 18 . 1 1 26 26 LEU N N 4 121.540 121.540 118.714 2.826 17995 7919 1 18 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.166 -0.473 17995 7920 1 18 . 1 1 26 26 LEU C C 4 177.649 177.649 178.164 -0.515 17995 7921 1 18 . 1 1 26 26 LEU CA C 4 59.703 59.703 57.780 1.923 17995 7922 1 18 . 1 1 26 26 LEU CB C 4 42.335 42.335 40.999 1.335 17995 7923 1 18 . 1 1 26 26 LEU H H 4 7.447 7.447 8.165 -0.718 17995 7924 1 18 . 1 1 27 27 GLU N N 5 118.441 118.441 120.707 -2.266 17995 7925 1 18 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.887 0.004 17995 7926 1 18 . 1 1 27 27 GLU C C 5 178.162 178.162 178.335 -0.173 17995 7927 1 18 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.595 0.027 17995 7928 1 18 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.545 -0.468 17995 7929 1 18 . 1 1 27 27 GLU H H 5 8.561 8.561 7.788 0.773 17995 7930 1 18 . 1 1 28 28 ALA N N 6 122.005 122.005 121.385 0.620 17995 7931 1 18 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.230 -0.098 17995 7932 1 18 . 1 1 28 28 ALA C C 6 180.421 180.421 180.113 0.308 17995 7933 1 18 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.595 0.684 17995 7934 1 18 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.340 0.426 17995 7935 1 18 . 1 1 28 28 ALA H H 6 8.205 8.205 7.779 0.426 17995 7936 1 18 . 1 1 29 29 VAL N N 7 116.985 116.985 120.244 -3.259 17995 7937 1 18 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.546 -0.037 17995 7938 1 18 . 1 1 29 29 VAL C C 7 177.034 177.034 177.499 -0.465 17995 7939 1 18 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.105 0.258 17995 7940 1 18 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.680 -0.241 17995 7941 1 18 . 1 1 29 29 VAL H H 7 8.392 8.392 8.082 0.310 17995 7942 1 18 . 1 1 30 30 ARG N N 8 121.674 121.674 118.666 3.008 17995 7943 1 18 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.021 -0.357 17995 7944 1 18 . 1 1 30 30 ARG C C 8 177.810 177.810 178.414 -0.604 17995 7945 1 18 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.239 1.286 17995 7946 1 18 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.478 1.188 17995 7947 1 18 . 1 1 30 30 ARG H H 8 8.784 8.784 8.290 0.494 17995 7948 1 18 . 1 1 31 31 ASN N N 9 118.102 118.102 118.705 -0.603 17995 7949 1 18 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.545 -0.261 17995 7950 1 18 . 1 1 31 31 ASN C C 9 177.890 177.890 177.767 0.123 17995 7951 1 18 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.033 0.221 17995 7952 1 18 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.239 -0.651 17995 7953 1 18 . 1 1 31 31 ASN H H 9 8.144 8.144 7.950 0.194 17995 7954 1 18 . 1 1 32 32 ILE N N 10 123.614 123.614 120.967 2.647 17995 7955 1 18 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.491 0.301 17995 7956 1 18 . 1 1 32 32 ILE C C 10 177.810 177.810 177.540 0.270 17995 7957 1 18 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.132 0.126 17995 7958 1 18 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.945 0.789 17995 7959 1 18 . 1 1 32 32 ILE H H 10 8.137 8.137 7.753 0.384 17995 7960 1 18 . 1 1 33 33 LEU N N 11 119.797 119.797 119.345 0.452 17995 7961 1 18 . 1 1 33 33 LEU HA H 11 3.786 3.786 3.948 -0.162 17995 7962 1 18 . 1 1 33 33 LEU C C 11 179.039 179.039 179.459 -0.420 17995 7963 1 18 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.999 0.711 17995 7964 1 18 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.416 0.660 17995 7965 1 18 . 1 1 33 33 LEU H H 11 8.637 8.637 8.211 0.426 17995 7966 1 18 . 1 1 34 34 GLY N N 12 103.682 103.682 105.809 -2.127 17995 7967 1 18 . 1 1 34 34 GLY C C 12 175.242 175.242 175.407 -0.165 17995 7968 1 18 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.803 0.915 17995 7969 1 18 . 1 1 34 34 GLY H H 12 8.513 8.513 8.273 0.240 17995 7970 1 18 . 1 1 35 35 ASP N N 13 122.235 122.235 121.427 0.808 17995 7971 1 18 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.630 -0.045 17995 7972 1 18 . 1 1 35 35 ASP C C 13 179.013 179.013 177.870 1.143 17995 7973 1 18 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.304 0.612 17995 7974 1 18 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.278 -0.232 17995 7975 1 18 . 1 1 35 35 ASP H H 13 7.968 7.968 7.758 0.210 17995 7976 1 18 . 1 1 36 36 VAL N N 14 120.841 120.841 120.175 0.666 17995 7977 1 18 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.965 -0.288 17995 7978 1 18 . 1 1 36 36 VAL C C 14 177.797 177.797 177.476 0.321 17995 7979 1 18 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.065 0.939 17995 7980 1 18 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.386 -0.154 17995 7981 1 18 . 1 1 36 36 VAL H H 14 8.765 8.765 7.972 0.793 17995 7982 1 18 . 1 1 37 37 LEU N N 15 114.630 114.630 116.800 -2.170 17995 7983 1 18 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.314 -0.033 17995 7984 1 18 . 1 1 37 37 LEU C C 15 175.483 175.483 176.394 -0.911 17995 7985 1 18 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.714 -0.544 17995 7986 1 18 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.627 0.068 17995 7987 1 18 . 1 1 37 37 LEU H H 15 7.942 7.942 7.971 -0.029 17995 7988 1 18 . 1 1 38 38 ASN N N 16 116.887 116.887 115.798 1.089 17995 7989 1 18 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.406 0.128 17995 7990 1 18 . 1 1 38 38 ASN C C 16 175.668 175.668 175.163 0.505 17995 7991 1 18 . 1 1 38 38 ASN CA C 16 53.920 53.920 54.007 -0.087 17995 7992 1 18 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.351 -0.493 17995 7993 1 18 . 1 1 38 38 ASN H H 16 7.561 7.561 7.646 -0.085 17995 7994 1 18 . 1 1 39 39 LEU N N 17 114.676 114.676 118.857 -4.181 17995 7995 1 18 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.249 -0.179 17995 7996 1 18 . 1 1 39 39 LEU C C 17 178.415 178.415 177.954 0.461 17995 7997 1 18 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.884 -0.140 17995 7998 1 18 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.288 0.988 17995 7999 1 18 . 1 1 39 39 LEU H H 17 8.233 8.233 8.029 0.204 17995 8000 1 18 . 1 1 40 40 GLY N N 18 109.665 109.665 107.934 1.731 17995 8001 1 18 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.782 -0.478 17995 8002 1 18 . 1 1 40 40 GLY H H 18 8.678 8.678 7.953 0.725 17995 8003 1 18 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.257 -0.129 17995 8004 1 18 . 1 1 41 41 GLU C C 19 178.328 178.328 178.396 -0.068 17995 8005 1 18 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.885 1.379 17995 8006 1 18 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.946 -0.866 17995 8007 1 18 . 1 1 42 42 ARG N N 20 118.936 118.936 121.074 -2.138 17995 8008 1 18 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.177 -0.002 17995 8009 1 18 . 1 1 42 42 ARG C C 20 178.912 178.912 177.986 0.926 17995 8010 1 18 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.608 -0.371 17995 8011 1 18 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.198 -0.142 17995 8012 1 18 . 1 1 42 42 ARG H H 20 7.979 7.979 7.956 0.023 17995 8013 1 18 . 1 1 43 43 LYS N N 21 119.087 119.087 115.897 3.190 17995 8014 1 18 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.154 -0.406 17995 8015 1 18 . 1 1 43 43 LYS C C 21 176.559 176.559 178.401 -1.842 17995 8016 1 18 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.610 0.488 17995 8017 1 18 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.499 0.482 17995 8018 1 18 . 1 1 43 43 LYS H H 21 7.719 7.719 8.243 -0.524 17995 8019 1 18 . 1 1 44 44 HIS N N 22 115.571 115.571 119.050 -3.479 17995 8020 1 18 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.531 -0.103 17995 8021 1 18 . 1 1 44 44 HIS C C 22 176.288 176.288 175.582 0.706 17995 8022 1 18 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.599 -0.815 17995 8023 1 18 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.496 -0.026 17995 8024 1 18 . 1 1 44 44 HIS H H 22 7.124 7.124 7.944 -0.820 17995 8025 1 18 . 1 1 45 45 THR N N 23 107.890 107.890 113.266 -5.376 17995 8026 1 18 . 1 1 45 45 THR HA H 23 4.355 4.355 4.247 0.108 17995 8027 1 18 . 1 1 45 45 THR C C 23 174.650 174.650 174.634 0.016 17995 8028 1 18 . 1 1 45 45 THR CA C 23 61.627 61.627 61.441 0.185 17995 8029 1 18 . 1 1 45 45 THR CB C 23 69.475 69.475 68.582 0.893 17995 8030 1 18 . 1 1 45 45 THR H H 23 7.441 7.441 7.513 -0.072 17995 8031 1 18 . 1 1 46 46 LEU N N 24 121.435 121.435 120.069 1.366 17995 8032 1 18 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.919 -0.296 17995 8033 1 18 . 1 1 46 46 LEU C C 24 176.537 176.537 175.197 1.340 17995 8034 1 18 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.373 1.217 17995 8035 1 18 . 1 1 46 46 LEU CB C 24 43.117 43.117 42.843 0.274 17995 8036 1 18 . 1 1 46 46 LEU H H 24 7.059 7.059 7.339 -0.280 17995 8037 1 18 . 1 1 47 47 THR N N 25 116.104 116.104 113.126 2.978 17995 8038 1 18 . 1 1 47 47 THR HA H 25 4.605 4.605 4.644 -0.039 17995 8039 1 18 . 1 1 47 47 THR C C 25 175.526 175.526 175.741 -0.215 17995 8040 1 18 . 1 1 47 47 THR CA C 25 59.878 59.878 60.188 -0.310 17995 8041 1 18 . 1 1 47 47 THR CB C 25 71.752 71.752 70.557 1.195 17995 8042 1 18 . 1 1 47 47 THR H H 25 9.432 9.432 8.017 1.415 17995 8043 1 18 . 1 1 48 48 ALA N N 26 122.234 122.234 121.070 1.164 17995 8044 1 18 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.226 -0.417 17995 8045 1 18 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.628 0.965 17995 8046 1 18 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.353 0.301 17995 8047 1 18 . 1 1 48 48 ALA H H 26 9.142 9.142 8.602 0.540 17995 8048 1 18 . 1 1 49 49 SER HA H 27 4.448 4.448 4.297 0.151 17995 8049 1 18 . 1 1 49 49 SER C C 27 174.637 174.637 174.928 -0.291 17995 8050 1 18 . 1 1 49 49 SER CA C 27 58.348 58.348 60.154 -1.806 17995 8051 1 18 . 1 1 49 49 SER CB C 27 63.704 63.704 63.203 0.501 17995 8052 1 18 . 1 1 50 50 SER N N 28 122.032 122.032 118.992 3.040 17995 8053 1 18 . 1 1 50 50 SER HA H 28 4.269 4.269 4.367 -0.098 17995 8054 1 18 . 1 1 50 50 SER C C 28 172.904 172.904 174.132 -1.228 17995 8055 1 18 . 1 1 50 50 SER CA C 28 60.846 60.846 58.623 2.224 17995 8056 1 18 . 1 1 50 50 SER CB C 28 63.063 63.063 63.533 -0.470 17995 8057 1 18 . 1 1 50 50 SER H H 28 8.157 8.157 7.449 0.708 17995 8058 1 18 . 1 1 51 51 VAL N N 29 127.079 127.079 127.385 -0.306 17995 8059 1 18 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.024 0.318 17995 8060 1 18 . 1 1 51 51 VAL C C 29 176.612 176.612 175.752 0.860 17995 8061 1 18 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.449 -1.001 17995 8062 1 18 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.476 -0.251 17995 8063 1 18 . 1 1 51 51 VAL H H 29 8.505 8.505 8.718 -0.213 17995 8064 1 18 . 1 1 52 52 LEU N N 30 126.014 126.014 126.036 -0.022 17995 8065 1 18 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.678 0.117 17995 8066 1 18 . 1 1 52 52 LEU C C 30 176.569 176.569 176.883 -0.314 17995 8067 1 18 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.448 -0.916 17995 8068 1 18 . 1 1 52 52 LEU CB C 30 41.004 41.004 42.982 -1.978 17995 8069 1 18 . 1 1 52 52 LEU H H 30 7.954 7.954 8.603 -0.649 17995 8070 1 18 . 1 1 53 53 LEU N N 31 122.601 122.601 120.571 2.030 17995 8071 1 18 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.023 0.063 17995 8072 1 18 . 1 1 53 53 LEU C C 31 177.683 177.683 177.570 0.113 17995 8073 1 18 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.751 0.623 17995 8074 1 18 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.788 0.031 17995 8075 1 18 . 1 1 53 53 LEU H H 31 7.777 7.777 7.858 -0.081 17995 8076 1 18 . 1 1 54 54 GLY N N 32 114.941 114.941 114.014 0.927 17995 8077 1 18 . 1 1 54 54 GLY C C 32 173.612 173.612 174.500 -0.888 17995 8078 1 18 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.463 0.095 17995 8079 1 18 . 1 1 54 54 GLY H H 32 9.121 9.121 8.676 0.445 17995 8080 1 18 . 1 1 55 55 ASN N N 33 117.901 117.901 120.380 -2.479 17995 8081 1 18 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.789 0.141 17995 8082 1 18 . 1 1 55 55 ASN C C 33 174.458 174.458 175.665 -1.207 17995 8083 1 18 . 1 1 55 55 ASN CA C 33 53.819 53.819 53.877 -0.058 17995 8084 1 18 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.609 1.938 17995 8085 1 18 . 1 1 55 55 ASN H H 33 7.789 7.789 7.776 0.013 17995 8086 1 18 . 1 1 56 56 ILE N N 34 120.163 120.163 123.156 -2.993 17995 8087 1 18 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.435 0.102 17995 8088 1 18 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.762 0.239 17995 8089 1 18 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.633 1.460 17995 8090 1 18 . 1 1 56 56 ILE H H 34 7.703 7.703 8.042 -0.339 17995 8091 1 18 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.463 -0.290 17995 8092 1 18 . 1 1 57 57 PRO C C 35 177.969 177.969 176.590 1.379 17995 8093 1 18 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.151 1.125 17995 8094 1 18 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.000 -0.066 17995 8095 1 18 . 1 1 58 58 GLU N N 36 116.701 116.701 116.865 -0.164 17995 8096 1 18 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.360 -0.388 17995 8097 1 18 . 1 1 58 58 GLU C C 36 176.612 176.612 175.848 0.764 17995 8098 1 18 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.725 3.622 17995 8099 1 18 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.516 0.316 17995 8100 1 18 . 1 1 58 58 GLU H H 36 9.581 9.581 8.584 0.997 17995 8101 1 18 . 1 1 59 59 LEU N N 37 121.189 121.189 123.585 -2.396 17995 8102 1 18 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.325 -0.013 17995 8103 1 18 . 1 1 59 59 LEU C C 37 173.353 173.353 175.376 -2.023 17995 8104 1 18 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.639 -1.361 17995 8105 1 18 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.540 -0.541 17995 8106 1 18 . 1 1 59 59 LEU H H 37 7.560 7.560 7.275 0.285 17995 8107 1 18 . 1 1 60 60 ASP N N 38 126.468 126.468 124.521 1.947 17995 8108 1 18 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.827 -0.112 17995 8109 1 18 . 1 1 60 60 ASP C C 38 175.828 175.828 176.714 -0.886 17995 8110 1 18 . 1 1 60 60 ASP CA C 38 51.920 51.920 52.713 -0.793 17995 8111 1 18 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.128 -2.572 17995 8112 1 18 . 1 1 60 60 ASP H H 38 7.527 7.527 7.591 -0.064 17995 8113 1 18 . 1 1 61 61 SER N N 39 113.128 113.128 115.751 -2.623 17995 8114 1 18 . 1 1 61 61 SER HA H 39 4.019 4.019 4.137 -0.118 17995 8115 1 18 . 1 1 61 61 SER C C 39 175.854 175.854 176.791 -0.937 17995 8116 1 18 . 1 1 61 61 SER CA C 39 61.276 61.276 61.762 -0.486 17995 8117 1 18 . 1 1 61 61 SER CB C 39 65.520 65.520 62.927 2.593 17995 8118 1 18 . 1 1 61 61 SER H H 39 8.623 8.623 8.531 0.092 17995 8119 1 18 . 1 1 62 62 MET N N 40 121.706 121.706 119.903 1.803 17995 8120 1 18 . 1 1 62 62 MET HA H 40 4.303 4.303 4.251 0.052 17995 8121 1 18 . 1 1 62 62 MET C C 40 177.755 177.755 178.110 -0.355 17995 8122 1 18 . 1 1 62 62 MET CA C 40 57.714 57.714 57.723 -0.009 17995 8123 1 18 . 1 1 62 62 MET CB C 40 32.386 32.386 31.481 0.905 17995 8124 1 18 . 1 1 62 62 MET H H 40 7.802 7.802 8.575 -0.773 17995 8125 1 18 . 1 1 63 63 ALA N N 41 124.277 124.277 122.422 1.855 17995 8126 1 18 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.129 0.042 17995 8127 1 18 . 1 1 63 63 ALA C C 41 179.893 179.893 179.596 0.297 17995 8128 1 18 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.902 0.199 17995 8129 1 18 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.762 1.894 17995 8130 1 18 . 1 1 63 63 ALA H H 41 8.295 8.295 8.010 0.285 17995 8131 1 18 . 1 1 64 64 VAL N N 42 118.186 118.186 115.459 2.727 17995 8132 1 18 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.515 -0.522 17995 8133 1 18 . 1 1 64 64 VAL C C 42 177.327 177.327 177.390 -0.063 17995 8134 1 18 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.471 1.841 17995 8135 1 18 . 1 1 64 64 VAL CB C 42 31.192 31.192 30.327 0.865 17995 8136 1 18 . 1 1 64 64 VAL H H 42 8.019 8.019 8.075 -0.056 17995 8137 1 18 . 1 1 65 65 VAL N N 43 118.361 118.361 122.115 -3.754 17995 8138 1 18 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.456 0.108 17995 8139 1 18 . 1 1 65 65 VAL C C 43 178.520 178.520 178.118 0.402 17995 8140 1 18 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.537 0.020 17995 8141 1 18 . 1 1 65 65 VAL CB C 43 31.500 31.500 30.970 0.530 17995 8142 1 18 . 1 1 65 65 VAL H H 43 6.942 6.942 7.357 -0.415 17995 8143 1 18 . 1 1 66 66 ASN N N 44 119.476 119.476 118.573 0.903 17995 8144 1 18 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.448 0.114 17995 8145 1 18 . 1 1 66 66 ASN C C 44 178.760 178.760 178.108 0.652 17995 8146 1 18 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.375 -0.539 17995 8147 1 18 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.270 -0.463 17995 8148 1 18 . 1 1 66 66 ASN H H 44 7.789 7.789 7.948 -0.159 17995 8149 1 18 . 1 1 67 67 VAL N N 45 124.029 124.029 117.016 7.013 17995 8150 1 18 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.858 -0.240 17995 8151 1 18 . 1 1 67 67 VAL C C 45 177.100 177.100 177.730 -0.630 17995 8152 1 18 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.986 1.380 17995 8153 1 18 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.599 -0.139 17995 8154 1 18 . 1 1 67 67 VAL H H 45 9.055 9.055 7.758 1.297 17995 8155 1 18 . 1 1 68 68 ILE N N 46 121.006 121.006 122.264 -1.258 17995 8156 1 18 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.721 0.067 17995 8157 1 18 . 1 1 68 68 ILE C C 46 177.871 177.871 178.063 -0.192 17995 8158 1 18 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.800 -0.538 17995 8159 1 18 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.619 -1.452 17995 8160 1 18 . 1 1 68 68 ILE H H 46 8.509 8.509 7.822 0.687 17995 8161 1 18 . 1 1 69 69 THR N N 47 116.096 116.096 116.267 -0.171 17995 8162 1 18 . 1 1 69 69 THR HA H 47 4.391 4.391 3.910 0.481 17995 8163 1 18 . 1 1 69 69 THR C C 47 176.365 176.365 176.352 0.013 17995 8164 1 18 . 1 1 69 69 THR CA C 47 66.256 66.256 67.126 -0.870 17995 8165 1 18 . 1 1 69 69 THR CB C 47 69.098 69.098 68.668 0.430 17995 8166 1 18 . 1 1 69 69 THR H H 47 8.512 8.512 7.899 0.613 17995 8167 1 18 . 1 1 70 70 ALA N N 48 123.948 123.948 124.475 -0.527 17995 8168 1 18 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.271 0.032 17995 8169 1 18 . 1 1 70 70 ALA C C 48 181.452 181.452 179.703 1.749 17995 8170 1 18 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.360 -0.177 17995 8171 1 18 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.236 1.185 17995 8172 1 18 . 1 1 70 70 ALA H H 48 7.802 7.802 7.893 -0.091 17995 8173 1 18 . 1 1 71 71 LEU N N 49 121.199 121.199 119.330 1.869 17995 8174 1 18 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.137 0.086 17995 8175 1 18 . 1 1 71 71 LEU C C 49 178.192 178.192 179.592 -1.400 17995 8176 1 18 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.290 0.271 17995 8177 1 18 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.832 1.619 17995 8178 1 18 . 1 1 71 71 LEU H H 49 8.802 8.802 8.260 0.542 17995 8179 1 18 . 1 1 72 72 GLU N N 50 119.782 119.782 118.684 1.098 17995 8180 1 18 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.399 -0.909 17995 8181 1 18 . 1 1 72 72 GLU C C 50 180.303 180.303 180.044 0.259 17995 8182 1 18 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.466 0.385 17995 8183 1 18 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.052 2.056 17995 8184 1 18 . 1 1 72 72 GLU H H 50 8.762 8.762 8.326 0.436 17995 8185 1 18 . 1 1 73 73 GLU N N 51 116.902 116.902 119.648 -2.746 17995 8186 1 18 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.192 -0.140 17995 8187 1 18 . 1 1 73 73 GLU C C 51 178.334 178.334 178.963 -0.629 17995 8188 1 18 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.804 -0.186 17995 8189 1 18 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.506 0.576 17995 8190 1 18 . 1 1 73 73 GLU H H 51 7.953 7.953 7.980 -0.027 17995 8191 1 18 . 1 1 74 74 TYR N N 52 119.999 119.999 117.237 2.762 17995 8192 1 18 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.335 -0.453 17995 8193 1 18 . 1 1 74 74 TYR C C 52 177.384 177.384 178.171 -0.787 17995 8194 1 18 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.045 0.555 17995 8195 1 18 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.776 0.869 17995 8196 1 18 . 1 1 74 74 TYR H H 52 8.078 8.078 8.155 -0.077 17995 8197 1 18 . 1 1 75 75 PHE N N 53 113.650 113.650 114.716 -1.066 17995 8198 1 18 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.385 -0.199 17995 8199 1 18 . 1 1 75 75 PHE C C 53 174.485 174.485 175.109 -0.624 17995 8200 1 18 . 1 1 75 75 PHE CA C 53 59.244 59.244 58.660 0.584 17995 8201 1 18 . 1 1 75 75 PHE CB C 53 40.040 40.040 38.566 1.474 17995 8202 1 18 . 1 1 75 75 PHE H H 53 8.244 8.244 8.140 0.104 17995 8203 1 18 . 1 1 76 76 ASP N N 54 119.712 119.712 117.455 2.257 17995 8204 1 18 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.533 -0.153 17995 8205 1 18 . 1 1 76 76 ASP C C 54 174.118 174.118 175.555 -1.437 17995 8206 1 18 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.653 -0.790 17995 8207 1 18 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.266 -0.110 17995 8208 1 18 . 1 1 76 76 ASP H H 54 7.596 7.596 8.058 -0.462 17995 8209 1 18 . 1 1 77 77 PHE N N 55 113.804 113.804 114.537 -0.733 17995 8210 1 18 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.982 0.093 17995 8211 1 18 . 1 1 77 77 PHE C C 55 174.384 174.384 173.834 0.550 17995 8212 1 18 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.284 -0.848 17995 8213 1 18 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.325 -0.695 17995 8214 1 18 . 1 1 77 77 PHE H H 55 7.725 7.725 8.090 -0.365 17995 8215 1 18 . 1 1 78 78 SER N N 56 114.319 114.319 116.172 -1.853 17995 8216 1 18 . 1 1 78 78 SER HA H 56 5.149 5.149 4.804 0.345 17995 8217 1 18 . 1 1 78 78 SER C C 56 174.100 174.100 173.369 0.731 17995 8218 1 18 . 1 1 78 78 SER CA C 56 56.800 56.800 56.239 0.561 17995 8219 1 18 . 1 1 78 78 SER CB C 56 65.011 65.011 63.637 1.374 17995 8220 1 18 . 1 1 78 78 SER H H 56 8.727 8.727 8.111 0.616 17995 8221 1 18 . 1 1 79 79 VAL N N 57 128.316 128.316 128.384 -0.068 17995 8222 1 18 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.639 0.605 17995 8223 1 18 . 1 1 79 79 VAL C C 57 175.637 175.637 175.592 0.045 17995 8224 1 18 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.013 -1.259 17995 8225 1 18 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.963 0.910 17995 8226 1 18 . 1 1 79 79 VAL H H 57 10.222 10.222 7.967 2.255 17995 8227 1 18 . 1 1 80 80 ASP N N 58 130.058 130.058 126.948 3.110 17995 8228 1 18 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.435 0.411 17995 8229 1 18 . 1 1 80 80 ASP C C 58 177.205 177.205 176.707 0.498 17995 8230 1 18 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.616 -1.140 17995 8231 1 18 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.232 -0.567 17995 8232 1 18 . 1 1 80 80 ASP H H 58 9.396 9.396 8.306 1.090 17995 8233 1 18 . 1 1 81 81 ASP N N 59 122.564 122.564 125.249 -2.685 17995 8234 1 18 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.341 -0.061 17995 8235 1 18 . 1 1 81 81 ASP C C 59 177.291 177.291 177.253 0.038 17995 8236 1 18 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.748 0.712 17995 8237 1 18 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.082 -0.352 17995 8238 1 18 . 1 1 81 81 ASP H H 59 8.696 8.696 8.746 -0.050 17995 8239 1 18 . 1 1 82 82 ASP N N 60 115.817 115.817 118.574 -2.757 17995 8240 1 18 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.508 0.051 17995 8241 1 18 . 1 1 82 82 ASP C C 60 176.939 176.939 177.020 -0.081 17995 8242 1 18 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.114 -1.253 17995 8243 1 18 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.131 -0.716 17995 8244 1 18 . 1 1 82 82 ASP H H 60 8.460 8.460 8.036 0.424 17995 8245 1 18 . 1 1 83 83 GLU N N 61 118.478 118.478 117.469 1.009 17995 8246 1 18 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.361 -0.060 17995 8247 1 18 . 1 1 83 83 GLU C C 61 175.841 175.841 176.324 -0.483 17995 8248 1 18 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.484 0.820 17995 8249 1 18 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.568 0.923 17995 8250 1 18 . 1 1 83 83 GLU H H 61 7.903 7.903 7.657 0.246 17995 8251 1 18 . 1 1 84 84 ILE N N 62 117.759 117.759 121.392 -3.633 17995 8252 1 18 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.861 0.304 17995 8253 1 18 . 1 1 84 84 ILE C C 62 174.069 174.069 174.959 -0.890 17995 8254 1 18 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.890 -2.396 17995 8255 1 18 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.318 1.817 17995 8256 1 18 . 1 1 84 84 ILE H H 62 7.396 7.396 7.230 0.166 17995 8257 1 18 . 1 1 85 85 SER N N 63 119.980 119.980 120.858 -0.878 17995 8258 1 18 . 1 1 85 85 SER HA H 63 4.789 4.789 4.666 0.123 17995 8259 1 18 . 1 1 85 85 SER CA C 63 56.772 56.772 57.300 -0.528 17995 8260 1 18 . 1 1 85 85 SER CB C 63 66.916 66.916 65.666 1.250 17995 8261 1 18 . 1 1 85 85 SER H H 63 8.384 8.384 8.147 0.237 17995 8262 1 18 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.267 -0.240 17995 8263 1 18 . 1 1 86 86 ALA C C 64 180.211 180.211 179.128 1.083 17995 8264 1 18 . 1 1 86 86 ALA CA C 64 55.501 55.501 55.032 0.469 17995 8265 1 18 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.741 -0.731 17995 8266 1 18 . 1 1 87 87 GLN N N 65 116.123 116.123 114.544 1.579 17995 8267 1 18 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.345 -0.280 17995 8268 1 18 . 1 1 87 87 GLN C C 65 178.564 178.564 177.541 1.023 17995 8269 1 18 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.677 1.062 17995 8270 1 18 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.636 0.807 17995 8271 1 18 . 1 1 87 87 GLN H H 65 7.990 7.990 8.562 -0.572 17995 8272 1 18 . 1 1 88 88 THR N N 66 119.153 119.153 116.096 3.057 17995 8273 1 18 . 1 1 88 88 THR HA H 66 3.631 3.631 4.165 -0.534 17995 8274 1 18 . 1 1 88 88 THR C C 66 174.748 174.748 174.735 0.013 17995 8275 1 18 . 1 1 88 88 THR CA C 66 66.591 66.591 66.363 0.228 17995 8276 1 18 . 1 1 88 88 THR CB C 66 68.702 68.702 68.764 -0.062 17995 8277 1 18 . 1 1 88 88 THR H H 66 7.738 7.738 7.596 0.142 17995 8278 1 18 . 1 1 89 89 PHE N N 67 115.088 115.088 117.360 -2.272 17995 8279 1 18 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.641 -0.404 17995 8280 1 18 . 1 1 89 89 PHE C C 67 173.600 173.600 176.967 -3.367 17995 8281 1 18 . 1 1 89 89 PHE CA C 67 57.522 57.522 58.222 -0.700 17995 8282 1 18 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.849 0.857 17995 8283 1 18 . 1 1 89 89 PHE H H 67 7.180 7.180 7.592 -0.412 17995 8284 1 18 . 1 1 90 90 GLU N N 68 122.222 122.222 119.512 2.710 17995 8285 1 18 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.101 0.066 17995 8286 1 18 . 1 1 90 90 GLU C C 68 178.581 178.581 176.651 1.930 17995 8287 1 18 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.459 1.267 17995 8288 1 18 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.850 0.898 17995 8289 1 18 . 1 1 90 90 GLU H H 68 7.421 7.421 8.029 -0.608 17995 8290 1 18 . 1 1 91 91 THR N N 69 106.383 106.383 111.012 -4.629 17995 8291 1 18 . 1 1 91 91 THR HA H 69 5.477 5.477 4.717 0.760 17995 8292 1 18 . 1 1 91 91 THR C C 69 174.775 174.775 173.850 0.925 17995 8293 1 18 . 1 1 91 91 THR CA C 69 58.798 58.798 59.570 -0.772 17995 8294 1 18 . 1 1 91 91 THR CB C 69 74.841 74.841 71.300 3.541 17995 8295 1 18 . 1 1 91 91 THR H H 69 8.534 8.534 7.341 1.193 17995 8296 1 18 . 1 1 92 92 LEU N N 70 120.326 120.326 124.320 -3.994 17995 8297 1 18 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.133 0.010 17995 8298 1 18 . 1 1 92 92 LEU C C 70 178.174 178.174 177.958 0.216 17995 8299 1 18 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.477 0.789 17995 8300 1 18 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.229 -1.359 17995 8301 1 18 . 1 1 92 92 LEU H H 70 7.991 7.991 8.809 -0.818 17995 8302 1 18 . 1 1 93 93 GLY N N 71 106.588 106.588 105.328 1.260 17995 8303 1 18 . 1 1 93 93 GLY C C 71 175.300 175.300 176.002 -0.702 17995 8304 1 18 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.522 -0.184 17995 8305 1 18 . 1 1 93 93 GLY H H 71 9.019 9.019 8.245 0.774 17995 8306 1 18 . 1 1 94 94 SER N N 72 120.200 120.200 118.530 1.670 17995 8307 1 18 . 1 1 94 94 SER HA H 72 4.090 4.090 4.216 -0.126 17995 8308 1 18 . 1 1 94 94 SER C C 72 177.631 177.631 176.770 0.861 17995 8309 1 18 . 1 1 94 94 SER CA C 72 62.329 62.329 61.743 0.586 17995 8310 1 18 . 1 1 94 94 SER H H 72 8.709 8.709 7.424 1.285 17995 8311 1 18 . 1 1 95 95 LEU N N 73 129.169 129.169 121.437 7.732 17995 8312 1 18 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.991 0.249 17995 8313 1 18 . 1 1 95 95 LEU C C 73 176.439 176.439 179.020 -2.581 17995 8314 1 18 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.370 0.432 17995 8315 1 18 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.333 1.526 17995 8316 1 18 . 1 1 95 95 LEU H H 73 7.800 7.800 7.471 0.329 17995 8317 1 18 . 1 1 96 96 ALA N N 74 121.721 121.721 121.886 -0.165 17995 8318 1 18 . 1 1 96 96 ALA HA H 74 3.989 3.989 4.028 -0.039 17995 8319 1 18 . 1 1 96 96 ALA C C 74 180.456 180.456 180.005 0.451 17995 8320 1 18 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.179 0.523 17995 8321 1 18 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.427 -0.711 17995 8322 1 18 . 1 1 96 96 ALA H H 74 8.612 8.612 8.041 0.571 17995 8323 1 18 . 1 1 97 97 LEU N N 75 122.095 122.095 119.561 2.534 17995 8324 1 18 . 1 1 97 97 LEU HA H 75 4.057 4.057 4.038 0.019 17995 8325 1 18 . 1 1 97 97 LEU C C 75 178.805 178.805 179.225 -0.420 17995 8326 1 18 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.770 -0.001 17995 8327 1 18 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.548 1.274 17995 8328 1 18 . 1 1 97 97 LEU H H 75 8.777 8.777 8.026 0.751 17995 8329 1 18 . 1 1 98 98 PHE N N 76 122.741 122.741 117.937 4.804 17995 8330 1 18 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.940 0.322 17995 8331 1 18 . 1 1 98 98 PHE C C 76 176.878 176.878 178.392 -1.514 17995 8332 1 18 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.707 -1.475 17995 8333 1 18 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.407 0.142 17995 8334 1 18 . 1 1 98 98 PHE H H 76 7.889 7.889 8.037 -0.148 17995 8335 1 18 . 1 1 99 99 VAL N N 77 119.641 119.641 114.378 5.263 17995 8336 1 18 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.688 -0.910 17995 8337 1 18 . 1 1 99 99 VAL C C 77 176.414 176.414 177.509 -1.095 17995 8338 1 18 . 1 1 99 99 VAL CA C 77 66.968 66.968 66.119 0.849 17995 8339 1 18 . 1 1 99 99 VAL CB C 77 31.186 31.186 31.137 0.049 17995 8340 1 18 . 1 1 99 99 VAL H H 77 7.599 7.599 8.125 -0.526 17995 8341 1 18 . 1 1 100 100 GLU N N 78 118.850 118.850 121.910 -3.060 17995 8342 1 18 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.284 -0.511 17995 8343 1 18 . 1 1 100 100 GLU C C 78 179.007 179.007 179.091 -0.084 17995 8344 1 18 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.542 -0.002 17995 8345 1 18 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.014 0.764 17995 8346 1 18 . 1 1 100 100 GLU H H 78 7.740 7.740 8.131 -0.391 17995 8347 1 18 . 1 1 101 101 HIS N N 79 120.328 120.328 117.743 2.585 17995 8348 1 18 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.364 -0.163 17995 8349 1 18 . 1 1 101 101 HIS C C 79 178.242 178.242 177.961 0.281 17995 8350 1 18 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.563 0.675 17995 8351 1 18 . 1 1 101 101 HIS CB C 79 29.938 29.938 30.128 -0.190 17995 8352 1 18 . 1 1 101 101 HIS H H 79 8.354 8.354 8.066 0.288 17995 8353 1 18 . 1 1 102 102 LYS N N 80 121.044 121.044 119.163 1.881 17995 8354 1 18 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.237 -0.670 17995 8355 1 18 . 1 1 102 102 LYS C C 80 179.199 179.199 179.113 0.086 17995 8356 1 18 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.559 -1.572 17995 8357 1 18 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.289 -2.113 17995 8358 1 18 . 1 1 102 102 LYS H H 80 7.908 7.908 7.992 -0.084 17995 8359 1 18 . 1 1 103 103 LEU N N 81 118.698 118.698 118.775 -0.077 17995 8360 1 18 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.359 -0.201 17995 8361 1 18 . 1 1 103 103 LEU C C 81 178.593 178.593 178.399 0.194 17995 8362 1 18 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.990 0.406 17995 8363 1 18 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.743 1.566 17995 8364 1 18 . 1 1 103 103 LEU H H 81 7.784 7.784 7.982 -0.198 17995 8365 1 18 . 1 1 104 104 SER N N 82 114.826 114.826 112.767 2.059 17995 8366 1 18 . 1 1 104 104 SER HA H 82 4.358 4.358 4.596 -0.238 17995 8367 1 18 . 1 1 104 104 SER C C 82 174.810 174.810 173.918 0.892 17995 8368 1 18 . 1 1 104 104 SER CA C 82 59.567 59.567 59.757 -0.190 17995 8369 1 18 . 1 1 104 104 SER CB C 82 63.859 63.859 64.488 -0.629 17995 8370 1 18 . 1 1 104 104 SER H H 82 7.738 7.738 7.929 -0.191 17995 8371 1 19 . 1 1 24 24 GLN N N 2 121.730 121.730 123.532 -1.802 17995 8372 1 19 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.426 -0.464 17995 8373 1 19 . 1 1 24 24 GLN C C 2 177.291 177.291 177.368 -0.077 17995 8374 1 19 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.219 1.172 17995 8375 1 19 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.301 -0.591 17995 8376 1 19 . 1 1 24 24 GLN H H 2 8.511 8.511 9.104 -0.593 17995 8377 1 19 . 1 1 25 25 HIS N N 3 116.878 116.878 120.961 -4.083 17995 8378 1 19 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.657 0.446 17995 8379 1 19 . 1 1 25 25 HIS C C 3 175.501 175.501 177.362 -1.861 17995 8380 1 19 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.935 -1.588 17995 8381 1 19 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.680 0.947 17995 8382 1 19 . 1 1 25 25 HIS H H 3 8.216 8.216 8.363 -0.147 17995 8383 1 19 . 1 1 26 26 LEU N N 4 121.540 121.540 119.286 2.254 17995 8384 1 19 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.129 -0.436 17995 8385 1 19 . 1 1 26 26 LEU C C 4 177.649 177.649 178.247 -0.598 17995 8386 1 19 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.128 1.575 17995 8387 1 19 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.171 1.164 17995 8388 1 19 . 1 1 26 26 LEU H H 4 7.447 7.447 8.135 -0.688 17995 8389 1 19 . 1 1 27 27 GLU N N 5 118.441 118.441 120.368 -1.927 17995 8390 1 19 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.907 -0.016 17995 8391 1 19 . 1 1 27 27 GLU C C 5 178.162 178.162 178.212 -0.050 17995 8392 1 19 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.186 0.436 17995 8393 1 19 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.448 -0.371 17995 8394 1 19 . 1 1 27 27 GLU H H 5 8.561 8.561 7.668 0.893 17995 8395 1 19 . 1 1 28 28 ALA N N 6 122.005 122.005 122.478 -0.473 17995 8396 1 19 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.109 0.023 17995 8397 1 19 . 1 1 28 28 ALA C C 6 180.421 180.421 179.861 0.560 17995 8398 1 19 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.857 0.422 17995 8399 1 19 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.127 0.639 17995 8400 1 19 . 1 1 28 28 ALA H H 6 8.205 8.205 8.191 0.014 17995 8401 1 19 . 1 1 29 29 VAL N N 7 116.985 116.985 119.314 -2.329 17995 8402 1 19 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.745 -0.236 17995 8403 1 19 . 1 1 29 29 VAL C C 7 177.034 177.034 177.757 -0.723 17995 8404 1 19 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.682 -0.319 17995 8405 1 19 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.657 -0.218 17995 8406 1 19 . 1 1 29 29 VAL H H 7 8.392 8.392 8.095 0.297 17995 8407 1 19 . 1 1 30 30 ARG N N 8 121.674 121.674 119.348 2.326 17995 8408 1 19 . 1 1 30 30 ARG HA H 8 3.664 3.664 3.999 -0.335 17995 8409 1 19 . 1 1 30 30 ARG C C 8 177.810 177.810 178.322 -0.512 17995 8410 1 19 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.265 1.260 17995 8411 1 19 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.355 1.311 17995 8412 1 19 . 1 1 30 30 ARG H H 8 8.784 8.784 8.283 0.501 17995 8413 1 19 . 1 1 31 31 ASN N N 9 118.102 118.102 118.958 -0.856 17995 8414 1 19 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.496 -0.212 17995 8415 1 19 . 1 1 31 31 ASN C C 9 177.890 177.890 177.246 0.644 17995 8416 1 19 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.023 0.231 17995 8417 1 19 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.143 -0.555 17995 8418 1 19 . 1 1 31 31 ASN H H 9 8.144 8.144 7.855 0.289 17995 8419 1 19 . 1 1 32 32 ILE N N 10 123.614 123.614 120.082 3.532 17995 8420 1 19 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.449 0.343 17995 8421 1 19 . 1 1 32 32 ILE C C 10 177.810 177.810 177.863 -0.053 17995 8422 1 19 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.099 0.159 17995 8423 1 19 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.876 0.858 17995 8424 1 19 . 1 1 32 32 ILE H H 10 8.137 8.137 7.684 0.453 17995 8425 1 19 . 1 1 33 33 LEU N N 11 119.797 119.797 119.875 -0.078 17995 8426 1 19 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.050 -0.264 17995 8427 1 19 . 1 1 33 33 LEU C C 11 179.039 179.039 179.436 -0.397 17995 8428 1 19 . 1 1 33 33 LEU CA C 11 58.710 58.710 57.914 0.796 17995 8429 1 19 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.485 0.591 17995 8430 1 19 . 1 1 33 33 LEU H H 11 8.637 8.637 8.299 0.338 17995 8431 1 19 . 1 1 34 34 GLY N N 12 103.682 103.682 105.912 -2.230 17995 8432 1 19 . 1 1 34 34 GLY C C 12 175.242 175.242 175.214 0.028 17995 8433 1 19 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.884 0.834 17995 8434 1 19 . 1 1 34 34 GLY H H 12 8.513 8.513 8.355 0.158 17995 8435 1 19 . 1 1 35 35 ASP N N 13 122.235 122.235 121.512 0.723 17995 8436 1 19 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.514 0.071 17995 8437 1 19 . 1 1 35 35 ASP C C 13 179.013 179.013 178.421 0.592 17995 8438 1 19 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.823 0.093 17995 8439 1 19 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.285 -0.239 17995 8440 1 19 . 1 1 35 35 ASP H H 13 7.968 7.968 7.719 0.249 17995 8441 1 19 . 1 1 36 36 VAL N N 14 120.841 120.841 120.186 0.655 17995 8442 1 19 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.830 -0.153 17995 8443 1 19 . 1 1 36 36 VAL C C 14 177.797 177.797 177.758 0.039 17995 8444 1 19 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.655 0.349 17995 8445 1 19 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.324 -0.092 17995 8446 1 19 . 1 1 36 36 VAL H H 14 8.765 8.765 8.079 0.686 17995 8447 1 19 . 1 1 37 37 LEU N N 15 114.630 114.630 115.667 -1.037 17995 8448 1 19 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.357 -0.076 17995 8449 1 19 . 1 1 37 37 LEU C C 15 175.483 175.483 176.651 -1.168 17995 8450 1 19 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.139 0.030 17995 8451 1 19 . 1 1 37 37 LEU CB C 15 40.694 40.694 40.653 0.041 17995 8452 1 19 . 1 1 37 37 LEU H H 15 7.942 7.942 7.928 0.014 17995 8453 1 19 . 1 1 38 38 ASN N N 16 116.887 116.887 116.420 0.467 17995 8454 1 19 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.522 0.012 17995 8455 1 19 . 1 1 38 38 ASN C C 16 175.668 175.668 175.348 0.320 17995 8456 1 19 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.835 0.085 17995 8457 1 19 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.148 -0.290 17995 8458 1 19 . 1 1 38 38 ASN H H 16 7.561 7.561 8.083 -0.522 17995 8459 1 19 . 1 1 39 39 LEU N N 17 114.676 114.676 119.172 -4.496 17995 8460 1 19 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.220 -0.150 17995 8461 1 19 . 1 1 39 39 LEU C C 17 178.415 178.415 178.086 0.329 17995 8462 1 19 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.629 0.115 17995 8463 1 19 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.340 0.936 17995 8464 1 19 . 1 1 39 39 LEU H H 17 8.233 8.233 7.897 0.336 17995 8465 1 19 . 1 1 40 40 GLY N N 18 109.665 109.665 107.707 1.958 17995 8466 1 19 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.975 -0.670 17995 8467 1 19 . 1 1 40 40 GLY H H 18 8.678 8.678 8.077 0.601 17995 8468 1 19 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.257 -0.129 17995 8469 1 19 . 1 1 41 41 GLU C C 19 178.328 178.328 178.196 0.132 17995 8470 1 19 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.946 1.318 17995 8471 1 19 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.841 -0.761 17995 8472 1 19 . 1 1 42 42 ARG N N 20 118.936 118.936 121.423 -2.487 17995 8473 1 19 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.098 0.077 17995 8474 1 19 . 1 1 42 42 ARG C C 20 178.912 178.912 177.932 0.980 17995 8475 1 19 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.677 -0.440 17995 8476 1 19 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.165 -0.109 17995 8477 1 19 . 1 1 42 42 ARG H H 20 7.979 7.979 7.997 -0.018 17995 8478 1 19 . 1 1 43 43 LYS N N 21 119.087 119.087 117.552 1.535 17995 8479 1 19 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.103 -0.355 17995 8480 1 19 . 1 1 43 43 LYS C C 21 176.559 176.559 178.501 -1.942 17995 8481 1 19 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.861 0.236 17995 8482 1 19 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.581 0.400 17995 8483 1 19 . 1 1 43 43 LYS H H 21 7.719 7.719 8.221 -0.502 17995 8484 1 19 . 1 1 44 44 HIS N N 22 115.571 115.571 117.790 -2.219 17995 8485 1 19 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.514 -0.086 17995 8486 1 19 . 1 1 44 44 HIS C C 22 176.288 176.288 176.349 -0.061 17995 8487 1 19 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.560 -0.776 17995 8488 1 19 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.629 -0.159 17995 8489 1 19 . 1 1 44 44 HIS H H 22 7.124 7.124 7.946 -0.822 17995 8490 1 19 . 1 1 45 45 THR N N 23 107.890 107.890 113.799 -5.909 17995 8491 1 19 . 1 1 45 45 THR HA H 23 4.355 4.355 4.338 0.017 17995 8492 1 19 . 1 1 45 45 THR C C 23 174.650 174.650 174.184 0.466 17995 8493 1 19 . 1 1 45 45 THR CA C 23 61.627 61.627 61.827 -0.200 17995 8494 1 19 . 1 1 45 45 THR CB C 23 69.475 69.475 68.792 0.683 17995 8495 1 19 . 1 1 45 45 THR H H 23 7.441 7.441 7.632 -0.191 17995 8496 1 19 . 1 1 46 46 LEU N N 24 121.435 121.435 119.918 1.517 17995 8497 1 19 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.829 -0.206 17995 8498 1 19 . 1 1 46 46 LEU C C 24 176.537 176.537 175.465 1.072 17995 8499 1 19 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.175 1.415 17995 8500 1 19 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.901 -0.784 17995 8501 1 19 . 1 1 46 46 LEU H H 24 7.059 7.059 7.211 -0.152 17995 8502 1 19 . 1 1 47 47 THR N N 25 116.104 116.104 114.275 1.829 17995 8503 1 19 . 1 1 47 47 THR HA H 25 4.605 4.605 4.538 0.067 17995 8504 1 19 . 1 1 47 47 THR C C 25 175.526 175.526 175.623 -0.097 17995 8505 1 19 . 1 1 47 47 THR CA C 25 59.878 59.878 60.079 -0.201 17995 8506 1 19 . 1 1 47 47 THR CB C 25 71.752 71.752 71.050 0.702 17995 8507 1 19 . 1 1 47 47 THR H H 25 9.432 9.432 8.003 1.429 17995 8508 1 19 . 1 1 48 48 ALA N N 26 122.234 122.234 121.341 0.893 17995 8509 1 19 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.190 -0.381 17995 8510 1 19 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.739 0.854 17995 8511 1 19 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.603 0.051 17995 8512 1 19 . 1 1 48 48 ALA H H 26 9.142 9.142 8.615 0.527 17995 8513 1 19 . 1 1 49 49 SER HA H 27 4.448 4.448 4.313 0.135 17995 8514 1 19 . 1 1 49 49 SER C C 27 174.637 174.637 175.092 -0.455 17995 8515 1 19 . 1 1 49 49 SER CA C 27 58.348 58.348 59.583 -1.235 17995 8516 1 19 . 1 1 49 49 SER CB C 27 63.704 63.704 63.255 0.449 17995 8517 1 19 . 1 1 50 50 SER N N 28 122.032 122.032 117.517 4.515 17995 8518 1 19 . 1 1 50 50 SER HA H 28 4.269 4.269 4.421 -0.152 17995 8519 1 19 . 1 1 50 50 SER C C 28 172.904 172.904 174.076 -1.172 17995 8520 1 19 . 1 1 50 50 SER CA C 28 60.846 60.846 57.849 2.997 17995 8521 1 19 . 1 1 50 50 SER CB C 28 63.063 63.063 63.905 -0.842 17995 8522 1 19 . 1 1 50 50 SER H H 28 8.157 8.157 7.483 0.674 17995 8523 1 19 . 1 1 51 51 VAL N N 29 127.079 127.079 125.223 1.856 17995 8524 1 19 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.104 0.238 17995 8525 1 19 . 1 1 51 51 VAL C C 29 176.612 176.612 175.325 1.287 17995 8526 1 19 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.566 -1.118 17995 8527 1 19 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.458 -0.233 17995 8528 1 19 . 1 1 51 51 VAL H H 29 8.505 8.505 8.400 0.105 17995 8529 1 19 . 1 1 52 52 LEU N N 30 126.014 126.014 121.286 4.728 17995 8530 1 19 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.609 0.186 17995 8531 1 19 . 1 1 52 52 LEU C C 30 176.569 176.569 177.297 -0.728 17995 8532 1 19 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.171 -0.639 17995 8533 1 19 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.432 -2.428 17995 8534 1 19 . 1 1 52 52 LEU H H 30 7.954 7.954 8.180 -0.226 17995 8535 1 19 . 1 1 53 53 LEU N N 31 122.601 122.601 119.580 3.021 17995 8536 1 19 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.012 0.074 17995 8537 1 19 . 1 1 53 53 LEU C C 31 177.683 177.683 177.707 -0.024 17995 8538 1 19 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.612 0.762 17995 8539 1 19 . 1 1 53 53 LEU CB C 31 41.819 41.819 40.911 0.908 17995 8540 1 19 . 1 1 53 53 LEU H H 31 7.777 7.777 7.579 0.198 17995 8541 1 19 . 1 1 54 54 GLY N N 32 114.941 114.941 113.615 1.326 17995 8542 1 19 . 1 1 54 54 GLY C C 32 173.612 173.612 174.749 -1.137 17995 8543 1 19 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.318 0.240 17995 8544 1 19 . 1 1 54 54 GLY H H 32 9.121 9.121 8.602 0.519 17995 8545 1 19 . 1 1 55 55 ASN N N 33 117.901 117.901 121.137 -3.236 17995 8546 1 19 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.749 0.181 17995 8547 1 19 . 1 1 55 55 ASN C C 33 174.458 174.458 175.753 -1.295 17995 8548 1 19 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.327 -0.508 17995 8549 1 19 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.438 2.109 17995 8550 1 19 . 1 1 55 55 ASN H H 33 7.789 7.789 7.834 -0.045 17995 8551 1 19 . 1 1 56 56 ILE N N 34 120.163 120.163 122.724 -2.561 17995 8552 1 19 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.456 0.081 17995 8553 1 19 . 1 1 56 56 ILE CA C 34 58.001 58.001 57.673 0.327 17995 8554 1 19 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.293 1.800 17995 8555 1 19 . 1 1 56 56 ILE H H 34 7.703 7.703 7.993 -0.290 17995 8556 1 19 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.455 -0.282 17995 8557 1 19 . 1 1 57 57 PRO C C 35 177.969 177.969 176.666 1.303 17995 8558 1 19 . 1 1 57 57 PRO CA C 35 65.276 65.276 63.975 1.301 17995 8559 1 19 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.065 -0.131 17995 8560 1 19 . 1 1 58 58 GLU N N 36 116.701 116.701 116.674 0.027 17995 8561 1 19 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.379 -0.407 17995 8562 1 19 . 1 1 58 58 GLU C C 36 176.612 176.612 176.182 0.430 17995 8563 1 19 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.616 3.731 17995 8564 1 19 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.409 0.423 17995 8565 1 19 . 1 1 58 58 GLU H H 36 9.581 9.581 8.346 1.235 17995 8566 1 19 . 1 1 59 59 LEU N N 37 121.189 121.189 123.890 -2.701 17995 8567 1 19 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.312 -0.000 17995 8568 1 19 . 1 1 59 59 LEU C C 37 173.353 173.353 175.769 -2.416 17995 8569 1 19 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.274 -0.996 17995 8570 1 19 . 1 1 59 59 LEU CB C 37 40.999 40.999 41.236 -0.236 17995 8571 1 19 . 1 1 59 59 LEU H H 37 7.560 7.560 7.188 0.372 17995 8572 1 19 . 1 1 60 60 ASP N N 38 126.468 126.468 124.980 1.488 17995 8573 1 19 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.664 0.051 17995 8574 1 19 . 1 1 60 60 ASP C C 38 175.828 175.828 176.838 -1.010 17995 8575 1 19 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.707 -1.787 17995 8576 1 19 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.579 -2.023 17995 8577 1 19 . 1 1 60 60 ASP H H 38 7.527 7.527 7.782 -0.255 17995 8578 1 19 . 1 1 61 61 SER N N 39 113.128 113.128 117.596 -4.468 17995 8579 1 19 . 1 1 61 61 SER HA H 39 4.019 4.019 4.163 -0.144 17995 8580 1 19 . 1 1 61 61 SER C C 39 175.854 175.854 176.558 -0.704 17995 8581 1 19 . 1 1 61 61 SER CA C 39 61.276 61.276 61.437 -0.161 17995 8582 1 19 . 1 1 61 61 SER CB C 39 65.520 65.520 62.979 2.541 17995 8583 1 19 . 1 1 61 61 SER H H 39 8.623 8.623 8.438 0.185 17995 8584 1 19 . 1 1 62 62 MET N N 40 121.706 121.706 118.376 3.330 17995 8585 1 19 . 1 1 62 62 MET HA H 40 4.303 4.303 4.363 -0.060 17995 8586 1 19 . 1 1 62 62 MET C C 40 177.755 177.755 178.214 -0.459 17995 8587 1 19 . 1 1 62 62 MET CA C 40 57.714 57.714 55.949 1.765 17995 8588 1 19 . 1 1 62 62 MET CB C 40 32.386 32.386 31.363 1.023 17995 8589 1 19 . 1 1 62 62 MET H H 40 7.802 7.802 8.215 -0.413 17995 8590 1 19 . 1 1 63 63 ALA N N 41 124.277 124.277 122.240 2.037 17995 8591 1 19 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.185 -0.014 17995 8592 1 19 . 1 1 63 63 ALA C C 41 179.893 179.893 179.378 0.515 17995 8593 1 19 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.617 0.484 17995 8594 1 19 . 1 1 63 63 ALA CB C 41 19.656 19.656 18.071 1.585 17995 8595 1 19 . 1 1 63 63 ALA H H 41 8.295 8.295 7.790 0.505 17995 8596 1 19 . 1 1 64 64 VAL N N 42 118.186 118.186 116.048 2.138 17995 8597 1 19 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.449 -0.456 17995 8598 1 19 . 1 1 64 64 VAL C C 42 177.327 177.327 177.325 0.002 17995 8599 1 19 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.747 1.565 17995 8600 1 19 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.345 -0.152 17995 8601 1 19 . 1 1 64 64 VAL H H 42 8.019 8.019 7.664 0.355 17995 8602 1 19 . 1 1 65 65 VAL N N 43 118.361 118.361 121.119 -2.758 17995 8603 1 19 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.446 0.118 17995 8604 1 19 . 1 1 65 65 VAL C C 43 178.520 178.520 177.875 0.645 17995 8605 1 19 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.455 0.102 17995 8606 1 19 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.131 0.369 17995 8607 1 19 . 1 1 65 65 VAL H H 43 6.942 6.942 7.416 -0.474 17995 8608 1 19 . 1 1 66 66 ASN N N 44 119.476 119.476 117.593 1.883 17995 8609 1 19 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.520 0.042 17995 8610 1 19 . 1 1 66 66 ASN C C 44 178.760 178.760 177.830 0.930 17995 8611 1 19 . 1 1 66 66 ASN CA C 44 55.836 55.836 55.901 -0.065 17995 8612 1 19 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.531 -0.723 17995 8613 1 19 . 1 1 66 66 ASN H H 44 7.789 7.789 7.832 -0.043 17995 8614 1 19 . 1 1 67 67 VAL N N 45 124.029 124.029 116.610 7.419 17995 8615 1 19 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.862 -0.244 17995 8616 1 19 . 1 1 67 67 VAL C C 45 177.100 177.100 177.749 -0.649 17995 8617 1 19 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.916 1.450 17995 8618 1 19 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.737 -0.277 17995 8619 1 19 . 1 1 67 67 VAL H H 45 9.055 9.055 7.638 1.417 17995 8620 1 19 . 1 1 68 68 ILE N N 46 121.006 121.006 121.910 -0.904 17995 8621 1 19 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.761 0.027 17995 8622 1 19 . 1 1 68 68 ILE C C 46 177.871 177.871 178.173 -0.302 17995 8623 1 19 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.715 -0.453 17995 8624 1 19 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.564 -1.397 17995 8625 1 19 . 1 1 68 68 ILE H H 46 8.509 8.509 7.699 0.810 17995 8626 1 19 . 1 1 69 69 THR N N 47 116.096 116.096 116.095 0.001 17995 8627 1 19 . 1 1 69 69 THR HA H 47 4.391 4.391 3.887 0.504 17995 8628 1 19 . 1 1 69 69 THR C C 47 176.365 176.365 176.226 0.139 17995 8629 1 19 . 1 1 69 69 THR CA C 47 66.256 66.256 66.979 -0.723 17995 8630 1 19 . 1 1 69 69 THR CB C 47 69.098 69.098 68.608 0.490 17995 8631 1 19 . 1 1 69 69 THR H H 47 8.512 8.512 7.887 0.625 17995 8632 1 19 . 1 1 70 70 ALA N N 48 123.948 123.948 124.630 -0.682 17995 8633 1 19 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.182 0.121 17995 8634 1 19 . 1 1 70 70 ALA C C 48 181.452 181.452 179.682 1.770 17995 8635 1 19 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.340 -0.157 17995 8636 1 19 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.321 1.101 17995 8637 1 19 . 1 1 70 70 ALA H H 48 7.802 7.802 7.853 -0.051 17995 8638 1 19 . 1 1 71 71 LEU N N 49 121.199 121.199 119.542 1.657 17995 8639 1 19 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.331 -0.108 17995 8640 1 19 . 1 1 71 71 LEU C C 49 178.192 178.192 179.778 -1.586 17995 8641 1 19 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.226 0.335 17995 8642 1 19 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.962 1.489 17995 8643 1 19 . 1 1 71 71 LEU H H 49 8.802 8.802 8.414 0.388 17995 8644 1 19 . 1 1 72 72 GLU N N 50 119.782 119.782 118.778 1.004 17995 8645 1 19 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.154 -0.664 17995 8646 1 19 . 1 1 72 72 GLU C C 50 180.303 180.303 179.901 0.402 17995 8647 1 19 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.047 0.804 17995 8648 1 19 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.912 2.196 17995 8649 1 19 . 1 1 72 72 GLU H H 50 8.762 8.762 8.019 0.743 17995 8650 1 19 . 1 1 73 73 GLU N N 51 116.902 116.902 119.647 -2.745 17995 8651 1 19 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.033 0.019 17995 8652 1 19 . 1 1 73 73 GLU C C 51 178.334 178.334 179.152 -0.818 17995 8653 1 19 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.747 -0.129 17995 8654 1 19 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.261 0.821 17995 8655 1 19 . 1 1 73 73 GLU H H 51 7.953 7.953 7.776 0.177 17995 8656 1 19 . 1 1 74 74 TYR N N 52 119.999 119.999 117.636 2.363 17995 8657 1 19 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.263 -0.382 17995 8658 1 19 . 1 1 74 74 TYR C C 52 177.384 177.384 178.156 -0.772 17995 8659 1 19 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.887 0.713 17995 8660 1 19 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.646 0.999 17995 8661 1 19 . 1 1 74 74 TYR H H 52 8.078 8.078 7.977 0.101 17995 8662 1 19 . 1 1 75 75 PHE N N 53 113.650 113.650 115.157 -1.507 17995 8663 1 19 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.423 -0.237 17995 8664 1 19 . 1 1 75 75 PHE C C 53 174.485 174.485 175.355 -0.870 17995 8665 1 19 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.137 0.107 17995 8666 1 19 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.250 0.790 17995 8667 1 19 . 1 1 75 75 PHE H H 53 8.244 8.244 8.022 0.222 17995 8668 1 19 . 1 1 76 76 ASP N N 54 119.712 119.712 118.422 1.290 17995 8669 1 19 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.479 -0.098 17995 8670 1 19 . 1 1 76 76 ASP C C 54 174.118 174.118 175.357 -1.239 17995 8671 1 19 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.355 -0.492 17995 8672 1 19 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.846 -0.690 17995 8673 1 19 . 1 1 76 76 ASP H H 54 7.596 7.596 7.896 -0.300 17995 8674 1 19 . 1 1 77 77 PHE N N 55 113.804 113.804 114.584 -0.780 17995 8675 1 19 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.969 0.106 17995 8676 1 19 . 1 1 77 77 PHE C C 55 174.384 174.384 173.555 0.829 17995 8677 1 19 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.593 -1.157 17995 8678 1 19 . 1 1 77 77 PHE CB C 55 40.630 40.630 41.308 -0.678 17995 8679 1 19 . 1 1 77 77 PHE H H 55 7.725 7.725 8.071 -0.346 17995 8680 1 19 . 1 1 78 78 SER N N 56 114.319 114.319 115.061 -0.742 17995 8681 1 19 . 1 1 78 78 SER HA H 56 5.149 5.149 4.718 0.431 17995 8682 1 19 . 1 1 78 78 SER C C 56 174.100 174.100 173.529 0.571 17995 8683 1 19 . 1 1 78 78 SER CA C 56 56.800 56.800 55.556 1.244 17995 8684 1 19 . 1 1 78 78 SER CB C 56 65.011 65.011 64.308 0.703 17995 8685 1 19 . 1 1 78 78 SER H H 56 8.727 8.727 8.104 0.623 17995 8686 1 19 . 1 1 79 79 VAL N N 57 128.316 128.316 127.776 0.540 17995 8687 1 19 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.824 0.420 17995 8688 1 19 . 1 1 79 79 VAL C C 57 175.637 175.637 175.430 0.207 17995 8689 1 19 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.402 -0.648 17995 8690 1 19 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.343 0.530 17995 8691 1 19 . 1 1 79 79 VAL H H 57 10.222 10.222 8.134 2.088 17995 8692 1 19 . 1 1 80 80 ASP N N 58 130.058 130.058 126.614 3.444 17995 8693 1 19 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.529 0.317 17995 8694 1 19 . 1 1 80 80 ASP C C 58 177.205 177.205 177.104 0.101 17995 8695 1 19 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.140 -0.664 17995 8696 1 19 . 1 1 80 80 ASP CB C 58 42.665 42.665 42.879 -0.214 17995 8697 1 19 . 1 1 80 80 ASP H H 58 9.396 9.396 8.423 0.973 17995 8698 1 19 . 1 1 81 81 ASP N N 59 122.564 122.564 124.391 -1.827 17995 8699 1 19 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.308 -0.028 17995 8700 1 19 . 1 1 81 81 ASP C C 59 177.291 177.291 178.038 -0.747 17995 8701 1 19 . 1 1 81 81 ASP CA C 59 57.460 57.460 57.221 0.238 17995 8702 1 19 . 1 1 81 81 ASP CB C 59 40.730 40.730 40.956 -0.226 17995 8703 1 19 . 1 1 81 81 ASP H H 59 8.696 8.696 8.779 -0.083 17995 8704 1 19 . 1 1 82 82 ASP N N 60 115.817 115.817 118.567 -2.750 17995 8705 1 19 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.526 0.033 17995 8706 1 19 . 1 1 82 82 ASP C C 60 176.939 176.939 177.096 -0.157 17995 8707 1 19 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.136 -1.275 17995 8708 1 19 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.145 -0.730 17995 8709 1 19 . 1 1 82 82 ASP H H 60 8.460 8.460 8.143 0.317 17995 8710 1 19 . 1 1 83 83 GLU N N 61 118.478 118.478 115.078 3.400 17995 8711 1 19 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.431 -0.131 17995 8712 1 19 . 1 1 83 83 GLU C C 61 175.841 175.841 175.528 0.313 17995 8713 1 19 . 1 1 83 83 GLU CA C 61 57.304 57.304 55.469 1.835 17995 8714 1 19 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.453 1.038 17995 8715 1 19 . 1 1 83 83 GLU H H 61 7.903 7.903 7.737 0.166 17995 8716 1 19 . 1 1 84 84 ILE N N 62 117.759 117.759 123.601 -5.842 17995 8717 1 19 . 1 1 84 84 ILE HA H 62 4.165 4.165 4.128 0.037 17995 8718 1 19 . 1 1 84 84 ILE C C 62 174.069 174.069 174.855 -0.786 17995 8719 1 19 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.439 -1.945 17995 8720 1 19 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.547 1.588 17995 8721 1 19 . 1 1 84 84 ILE H H 62 7.396 7.396 7.356 0.039 17995 8722 1 19 . 1 1 85 85 SER N N 63 119.980 119.980 122.405 -2.425 17995 8723 1 19 . 1 1 85 85 SER HA H 63 4.789 4.789 4.703 0.086 17995 8724 1 19 . 1 1 85 85 SER CA C 63 56.772 56.772 56.931 -0.159 17995 8725 1 19 . 1 1 85 85 SER CB C 63 66.916 66.916 66.027 0.889 17995 8726 1 19 . 1 1 85 85 SER H H 63 8.384 8.384 8.122 0.262 17995 8727 1 19 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.281 -0.254 17995 8728 1 19 . 1 1 86 86 ALA C C 64 180.211 180.211 179.574 0.637 17995 8729 1 19 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.784 0.717 17995 8730 1 19 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.482 -0.472 17995 8731 1 19 . 1 1 87 87 GLN N N 65 116.123 116.123 115.566 0.557 17995 8732 1 19 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.167 -0.102 17995 8733 1 19 . 1 1 87 87 GLN C C 65 178.564 178.564 177.778 0.786 17995 8734 1 19 . 1 1 87 87 GLN CA C 65 58.739 58.739 58.321 0.418 17995 8735 1 19 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.672 0.771 17995 8736 1 19 . 1 1 87 87 GLN H H 65 7.990 7.990 8.602 -0.612 17995 8737 1 19 . 1 1 88 88 THR N N 66 119.153 119.153 115.627 3.526 17995 8738 1 19 . 1 1 88 88 THR HA H 66 3.631 3.631 4.129 -0.498 17995 8739 1 19 . 1 1 88 88 THR C C 66 174.748 174.748 174.816 -0.068 17995 8740 1 19 . 1 1 88 88 THR CA C 66 66.591 66.591 65.998 0.593 17995 8741 1 19 . 1 1 88 88 THR CB C 66 68.702 68.702 68.624 0.078 17995 8742 1 19 . 1 1 88 88 THR H H 66 7.738 7.738 7.520 0.218 17995 8743 1 19 . 1 1 89 89 PHE N N 67 115.088 115.088 116.468 -1.380 17995 8744 1 19 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.662 -0.425 17995 8745 1 19 . 1 1 89 89 PHE C C 67 173.600 173.600 176.462 -2.862 17995 8746 1 19 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.243 0.279 17995 8747 1 19 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.570 1.136 17995 8748 1 19 . 1 1 89 89 PHE H H 67 7.180 7.180 7.596 -0.416 17995 8749 1 19 . 1 1 90 90 GLU N N 68 122.222 122.222 119.752 2.470 17995 8750 1 19 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.101 0.066 17995 8751 1 19 . 1 1 90 90 GLU C C 68 178.581 178.581 176.756 1.825 17995 8752 1 19 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.443 1.283 17995 8753 1 19 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.962 0.786 17995 8754 1 19 . 1 1 90 90 GLU H H 68 7.421 7.421 7.876 -0.455 17995 8755 1 19 . 1 1 91 91 THR N N 69 106.383 106.383 111.446 -5.063 17995 8756 1 19 . 1 1 91 91 THR HA H 69 5.477 5.477 4.726 0.751 17995 8757 1 19 . 1 1 91 91 THR C C 69 174.775 174.775 173.880 0.895 17995 8758 1 19 . 1 1 91 91 THR CA C 69 58.798 58.798 59.642 -0.845 17995 8759 1 19 . 1 1 91 91 THR CB C 69 74.841 74.841 71.336 3.505 17995 8760 1 19 . 1 1 91 91 THR H H 69 8.534 8.534 7.391 1.143 17995 8761 1 19 . 1 1 92 92 LEU N N 70 120.326 120.326 125.127 -4.801 17995 8762 1 19 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.125 0.018 17995 8763 1 19 . 1 1 92 92 LEU C C 70 178.174 178.174 177.814 0.360 17995 8764 1 19 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.148 1.119 17995 8765 1 19 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.162 -1.292 17995 8766 1 19 . 1 1 92 92 LEU H H 70 7.991 7.991 8.689 -0.698 17995 8767 1 19 . 1 1 93 93 GLY N N 71 106.588 106.588 105.455 1.133 17995 8768 1 19 . 1 1 93 93 GLY C C 71 175.300 175.300 175.922 -0.622 17995 8769 1 19 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.429 -0.092 17995 8770 1 19 . 1 1 93 93 GLY H H 71 9.019 9.019 8.191 0.828 17995 8771 1 19 . 1 1 94 94 SER N N 72 120.200 120.200 118.596 1.604 17995 8772 1 19 . 1 1 94 94 SER HA H 72 4.090 4.090 4.159 -0.069 17995 8773 1 19 . 1 1 94 94 SER C C 72 177.631 177.631 176.752 0.879 17995 8774 1 19 . 1 1 94 94 SER CA C 72 62.329 62.329 61.656 0.673 17995 8775 1 19 . 1 1 94 94 SER H H 72 8.709 8.709 7.471 1.238 17995 8776 1 19 . 1 1 95 95 LEU N N 73 129.169 129.169 121.577 7.592 17995 8777 1 19 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.986 0.254 17995 8778 1 19 . 1 1 95 95 LEU C C 73 176.439 176.439 178.909 -2.470 17995 8779 1 19 . 1 1 95 95 LEU CA C 73 57.802 57.802 56.789 1.013 17995 8780 1 19 . 1 1 95 95 LEU CB C 73 41.859 41.859 39.985 1.874 17995 8781 1 19 . 1 1 95 95 LEU H H 73 7.800 7.800 7.414 0.386 17995 8782 1 19 . 1 1 96 96 ALA N N 74 121.721 121.721 122.647 -0.926 17995 8783 1 19 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.908 0.081 17995 8784 1 19 . 1 1 96 96 ALA C C 74 180.456 180.456 179.693 0.763 17995 8785 1 19 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.254 0.448 17995 8786 1 19 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.303 -0.587 17995 8787 1 19 . 1 1 96 96 ALA H H 74 8.612 8.612 8.085 0.527 17995 8788 1 19 . 1 1 97 97 LEU N N 75 122.095 122.095 118.535 3.560 17995 8789 1 19 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.876 0.181 17995 8790 1 19 . 1 1 97 97 LEU C C 75 178.805 178.805 178.968 -0.163 17995 8791 1 19 . 1 1 97 97 LEU CA C 75 57.769 57.769 56.967 0.802 17995 8792 1 19 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.145 1.677 17995 8793 1 19 . 1 1 97 97 LEU H H 75 8.777 8.777 7.723 1.054 17995 8794 1 19 . 1 1 98 98 PHE N N 76 122.741 122.741 118.489 4.252 17995 8795 1 19 . 1 1 98 98 PHE HA H 76 4.262 4.262 3.933 0.329 17995 8796 1 19 . 1 1 98 98 PHE C C 76 176.878 176.878 178.403 -1.525 17995 8797 1 19 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.250 -1.018 17995 8798 1 19 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.461 0.088 17995 8799 1 19 . 1 1 98 98 PHE H H 76 7.889 7.889 7.910 -0.021 17995 8800 1 19 . 1 1 99 99 VAL N N 77 119.641 119.641 115.062 4.579 17995 8801 1 19 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.269 -0.491 17995 8802 1 19 . 1 1 99 99 VAL C C 77 176.414 176.414 177.512 -1.098 17995 8803 1 19 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.816 1.152 17995 8804 1 19 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.717 0.469 17995 8805 1 19 . 1 1 99 99 VAL H H 77 7.599 7.599 7.970 -0.371 17995 8806 1 19 . 1 1 100 100 GLU N N 78 118.850 118.850 121.581 -2.731 17995 8807 1 19 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.172 -0.399 17995 8808 1 19 . 1 1 100 100 GLU C C 78 179.007 179.007 178.961 0.046 17995 8809 1 19 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.393 0.147 17995 8810 1 19 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.069 0.709 17995 8811 1 19 . 1 1 100 100 GLU H H 78 7.740 7.740 7.895 -0.155 17995 8812 1 19 . 1 1 101 101 HIS N N 79 120.328 120.328 117.690 2.638 17995 8813 1 19 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.169 0.032 17995 8814 1 19 . 1 1 101 101 HIS C C 79 178.242 178.242 177.734 0.508 17995 8815 1 19 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.480 0.758 17995 8816 1 19 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.834 0.104 17995 8817 1 19 . 1 1 101 101 HIS H H 79 8.354 8.354 7.669 0.685 17995 8818 1 19 . 1 1 102 102 LYS N N 80 121.044 121.044 118.616 2.428 17995 8819 1 19 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.073 -0.506 17995 8820 1 19 . 1 1 102 102 LYS C C 80 179.199 179.199 178.930 0.269 17995 8821 1 19 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.424 -1.437 17995 8822 1 19 . 1 1 102 102 LYS CB C 80 30.176 30.176 31.996 -1.820 17995 8823 1 19 . 1 1 102 102 LYS H H 80 7.908 7.908 7.832 0.076 17995 8824 1 19 . 1 1 103 103 LEU N N 81 118.698 118.698 117.882 0.816 17995 8825 1 19 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.290 -0.133 17995 8826 1 19 . 1 1 103 103 LEU C C 81 178.593 178.593 178.394 0.199 17995 8827 1 19 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.838 0.558 17995 8828 1 19 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.638 1.671 17995 8829 1 19 . 1 1 103 103 LEU H H 81 7.784 7.784 7.671 0.113 17995 8830 1 19 . 1 1 104 104 SER N N 82 114.826 114.826 112.895 1.931 17995 8831 1 19 . 1 1 104 104 SER HA H 82 4.358 4.358 4.533 -0.175 17995 8832 1 19 . 1 1 104 104 SER C C 82 174.810 174.810 174.859 -0.049 17995 8833 1 19 . 1 1 104 104 SER CA C 82 59.567 59.567 59.605 -0.037 17995 8834 1 19 . 1 1 104 104 SER CB C 82 63.859 63.859 63.858 0.001 17995 8835 1 19 . 1 1 104 104 SER H H 82 7.738 7.738 7.722 0.016 17995 8836 1 20 . 1 1 24 24 GLN N N 2 121.730 121.730 123.910 -2.180 17995 8837 1 20 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.405 -0.443 17995 8838 1 20 . 1 1 24 24 GLN C C 2 177.291 177.291 177.535 -0.244 17995 8839 1 20 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.051 1.340 17995 8840 1 20 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.355 -0.645 17995 8841 1 20 . 1 1 24 24 GLN H H 2 8.511 8.511 9.206 -0.695 17995 8842 1 20 . 1 1 25 25 HIS N N 3 116.878 116.878 120.459 -3.581 17995 8843 1 20 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.598 0.505 17995 8844 1 20 . 1 1 25 25 HIS C C 3 175.501 175.501 177.444 -1.943 17995 8845 1 20 . 1 1 25 25 HIS CA C 3 56.347 56.347 58.512 -2.165 17995 8846 1 20 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.927 0.700 17995 8847 1 20 . 1 1 25 25 HIS H H 3 8.216 8.216 8.380 -0.164 17995 8848 1 20 . 1 1 26 26 LEU N N 4 121.540 121.540 119.227 2.313 17995 8849 1 20 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.119 -0.426 17995 8850 1 20 . 1 1 26 26 LEU C C 4 177.649 177.649 178.317 -0.668 17995 8851 1 20 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.015 1.688 17995 8852 1 20 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.311 1.024 17995 8853 1 20 . 1 1 26 26 LEU H H 4 7.447 7.447 8.067 -0.620 17995 8854 1 20 . 1 1 27 27 GLU N N 5 118.441 118.441 120.502 -2.061 17995 8855 1 20 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.898 -0.007 17995 8856 1 20 . 1 1 27 27 GLU C C 5 178.162 178.162 178.100 0.062 17995 8857 1 20 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.233 0.390 17995 8858 1 20 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.113 -0.036 17995 8859 1 20 . 1 1 27 27 GLU H H 5 8.561 8.561 7.619 0.942 17995 8860 1 20 . 1 1 28 28 ALA N N 6 122.005 122.005 121.675 0.330 17995 8861 1 20 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.124 0.008 17995 8862 1 20 . 1 1 28 28 ALA C C 6 180.421 180.421 179.896 0.525 17995 8863 1 20 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.785 0.494 17995 8864 1 20 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.089 0.677 17995 8865 1 20 . 1 1 28 28 ALA H H 6 8.205 8.205 8.216 -0.011 17995 8866 1 20 . 1 1 29 29 VAL N N 7 116.985 116.985 119.623 -2.638 17995 8867 1 20 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.761 -0.252 17995 8868 1 20 . 1 1 29 29 VAL C C 7 177.034 177.034 177.649 -0.615 17995 8869 1 20 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.765 -0.402 17995 8870 1 20 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.648 -0.209 17995 8871 1 20 . 1 1 29 29 VAL H H 7 8.392 8.392 8.084 0.308 17995 8872 1 20 . 1 1 30 30 ARG N N 8 121.674 121.674 119.436 2.238 17995 8873 1 20 . 1 1 30 30 ARG HA H 8 3.664 3.664 3.992 -0.328 17995 8874 1 20 . 1 1 30 30 ARG C C 8 177.810 177.810 178.394 -0.584 17995 8875 1 20 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.381 1.144 17995 8876 1 20 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.371 1.295 17995 8877 1 20 . 1 1 30 30 ARG H H 8 8.784 8.784 8.225 0.559 17995 8878 1 20 . 1 1 31 31 ASN N N 9 118.102 118.102 118.495 -0.393 17995 8879 1 20 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.523 -0.239 17995 8880 1 20 . 1 1 31 31 ASN C C 9 177.890 177.890 177.299 0.591 17995 8881 1 20 . 1 1 31 31 ASN CA C 9 56.254 56.254 55.984 0.270 17995 8882 1 20 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.179 -0.591 17995 8883 1 20 . 1 1 31 31 ASN H H 9 8.144 8.144 7.867 0.277 17995 8884 1 20 . 1 1 32 32 ILE N N 10 123.614 123.614 120.429 3.185 17995 8885 1 20 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.447 0.345 17995 8886 1 20 . 1 1 32 32 ILE C C 10 177.810 177.810 177.784 0.026 17995 8887 1 20 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.364 -0.106 17995 8888 1 20 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.961 0.773 17995 8889 1 20 . 1 1 32 32 ILE H H 10 8.137 8.137 7.737 0.400 17995 8890 1 20 . 1 1 33 33 LEU N N 11 119.797 119.797 119.658 0.139 17995 8891 1 20 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.113 -0.327 17995 8892 1 20 . 1 1 33 33 LEU C C 11 179.039 179.039 179.418 -0.379 17995 8893 1 20 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.548 0.162 17995 8894 1 20 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.293 0.783 17995 8895 1 20 . 1 1 33 33 LEU H H 11 8.637 8.637 8.237 0.400 17995 8896 1 20 . 1 1 34 34 GLY N N 12 103.682 103.682 105.711 -2.029 17995 8897 1 20 . 1 1 34 34 GLY C C 12 175.242 175.242 175.394 -0.152 17995 8898 1 20 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.836 0.882 17995 8899 1 20 . 1 1 34 34 GLY H H 12 8.513 8.513 8.397 0.116 17995 8900 1 20 . 1 1 35 35 ASP N N 13 122.235 122.235 122.218 0.017 17995 8901 1 20 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.544 0.041 17995 8902 1 20 . 1 1 35 35 ASP C C 13 179.013 179.013 178.279 0.734 17995 8903 1 20 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.828 0.088 17995 8904 1 20 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.209 -0.163 17995 8905 1 20 . 1 1 35 35 ASP H H 13 7.968 7.968 7.656 0.312 17995 8906 1 20 . 1 1 36 36 VAL N N 14 120.841 120.841 119.941 0.900 17995 8907 1 20 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.826 -0.149 17995 8908 1 20 . 1 1 36 36 VAL C C 14 177.797 177.797 177.860 -0.063 17995 8909 1 20 . 1 1 36 36 VAL CA C 14 66.004 66.004 66.089 -0.085 17995 8910 1 20 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.121 0.111 17995 8911 1 20 . 1 1 36 36 VAL H H 14 8.765 8.765 8.090 0.675 17995 8912 1 20 . 1 1 37 37 LEU N N 15 114.630 114.630 116.069 -1.439 17995 8913 1 20 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.238 0.043 17995 8914 1 20 . 1 1 37 37 LEU C C 15 175.483 175.483 176.041 -0.558 17995 8915 1 20 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.828 -0.658 17995 8916 1 20 . 1 1 37 37 LEU CB C 15 40.694 40.694 42.015 -1.321 17995 8917 1 20 . 1 1 37 37 LEU H H 15 7.942 7.942 7.692 0.250 17995 8918 1 20 . 1 1 38 38 ASN N N 16 116.887 116.887 115.594 1.293 17995 8919 1 20 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.548 -0.015 17995 8920 1 20 . 1 1 38 38 ASN C C 16 175.668 175.668 175.258 0.410 17995 8921 1 20 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.615 0.305 17995 8922 1 20 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.692 -0.834 17995 8923 1 20 . 1 1 38 38 ASN H H 16 7.561 7.561 7.843 -0.282 17995 8924 1 20 . 1 1 39 39 LEU N N 17 114.676 114.676 119.216 -4.540 17995 8925 1 20 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.345 -0.275 17995 8926 1 20 . 1 1 39 39 LEU C C 17 178.415 178.415 178.264 0.151 17995 8927 1 20 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.548 0.196 17995 8928 1 20 . 1 1 39 39 LEU CB C 17 43.276 43.276 41.940 1.336 17995 8929 1 20 . 1 1 39 39 LEU H H 17 8.233 8.233 7.965 0.268 17995 8930 1 20 . 1 1 40 40 GLY N N 18 109.665 109.665 107.622 2.043 17995 8931 1 20 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.620 -0.315 17995 8932 1 20 . 1 1 40 40 GLY H H 18 8.678 8.678 7.943 0.735 17995 8933 1 20 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.208 -0.080 17995 8934 1 20 . 1 1 41 41 GLU C C 19 178.328 178.328 178.073 0.255 17995 8935 1 20 . 1 1 41 41 GLU CA C 19 58.264 58.264 57.384 0.880 17995 8936 1 20 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.432 -0.352 17995 8937 1 20 . 1 1 42 42 ARG N N 20 118.936 118.936 120.525 -1.589 17995 8938 1 20 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.093 0.082 17995 8939 1 20 . 1 1 42 42 ARG C C 20 178.912 178.912 177.611 1.301 17995 8940 1 20 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.411 -0.174 17995 8941 1 20 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.275 -0.219 17995 8942 1 20 . 1 1 42 42 ARG H H 20 7.979 7.979 7.845 0.134 17995 8943 1 20 . 1 1 43 43 LYS N N 21 119.087 119.087 115.183 3.904 17995 8944 1 20 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.127 -0.379 17995 8945 1 20 . 1 1 43 43 LYS C C 21 176.559 176.559 178.695 -2.136 17995 8946 1 20 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.806 0.292 17995 8947 1 20 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.950 0.032 17995 8948 1 20 . 1 1 43 43 LYS H H 21 7.719 7.719 7.786 -0.067 17995 8949 1 20 . 1 1 44 44 HIS N N 22 115.571 115.571 117.657 -2.086 17995 8950 1 20 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.658 -0.230 17995 8951 1 20 . 1 1 44 44 HIS C C 22 176.288 176.288 175.618 0.670 17995 8952 1 20 . 1 1 44 44 HIS CA C 22 57.784 57.784 57.779 0.005 17995 8953 1 20 . 1 1 44 44 HIS CB C 22 30.470 30.470 31.004 -0.534 17995 8954 1 20 . 1 1 44 44 HIS H H 22 7.124 7.124 7.700 -0.577 17995 8955 1 20 . 1 1 45 45 THR N N 23 107.890 107.890 113.330 -5.440 17995 8956 1 20 . 1 1 45 45 THR HA H 23 4.355 4.355 4.291 0.064 17995 8957 1 20 . 1 1 45 45 THR C C 23 174.650 174.650 174.033 0.617 17995 8958 1 20 . 1 1 45 45 THR CA C 23 61.627 61.627 61.728 -0.101 17995 8959 1 20 . 1 1 45 45 THR CB C 23 69.475 69.475 68.817 0.658 17995 8960 1 20 . 1 1 45 45 THR H H 23 7.441 7.441 7.634 -0.193 17995 8961 1 20 . 1 1 46 46 LEU N N 24 121.435 121.435 117.934 3.501 17995 8962 1 20 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.766 -0.143 17995 8963 1 20 . 1 1 46 46 LEU C C 24 176.537 176.537 175.218 1.319 17995 8964 1 20 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.167 1.423 17995 8965 1 20 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.890 -0.773 17995 8966 1 20 . 1 1 46 46 LEU H H 24 7.059 7.059 7.109 -0.050 17995 8967 1 20 . 1 1 47 47 THR N N 25 116.104 116.104 112.978 3.126 17995 8968 1 20 . 1 1 47 47 THR HA H 25 4.605 4.605 4.566 0.039 17995 8969 1 20 . 1 1 47 47 THR C C 25 175.526 175.526 176.248 -0.722 17995 8970 1 20 . 1 1 47 47 THR CA C 25 59.878 59.878 60.100 -0.222 17995 8971 1 20 . 1 1 47 47 THR CB C 25 71.752 71.752 70.695 1.057 17995 8972 1 20 . 1 1 47 47 THR H H 25 9.432 9.432 7.945 1.487 17995 8973 1 20 . 1 1 48 48 ALA N N 26 122.234 122.234 122.746 -0.512 17995 8974 1 20 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.143 -0.334 17995 8975 1 20 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.843 0.750 17995 8976 1 20 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.198 0.456 17995 8977 1 20 . 1 1 48 48 ALA H H 26 9.142 9.142 8.542 0.600 17995 8978 1 20 . 1 1 49 49 SER HA H 27 4.448 4.448 4.380 0.068 17995 8979 1 20 . 1 1 49 49 SER C C 27 174.637 174.637 174.789 -0.152 17995 8980 1 20 . 1 1 49 49 SER CA C 27 58.348 58.348 58.863 -0.515 17995 8981 1 20 . 1 1 49 49 SER CB C 27 63.704 63.704 62.880 0.824 17995 8982 1 20 . 1 1 50 50 SER N N 28 122.032 122.032 118.049 3.983 17995 8983 1 20 . 1 1 50 50 SER HA H 28 4.269 4.269 4.471 -0.202 17995 8984 1 20 . 1 1 50 50 SER C C 28 172.904 172.904 173.672 -0.768 17995 8985 1 20 . 1 1 50 50 SER CA C 28 60.846 60.846 58.655 2.191 17995 8986 1 20 . 1 1 50 50 SER CB C 28 63.063 63.063 64.267 -1.204 17995 8987 1 20 . 1 1 50 50 SER H H 28 8.157 8.157 7.469 0.688 17995 8988 1 20 . 1 1 51 51 VAL N N 29 127.079 127.079 125.814 1.265 17995 8989 1 20 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.182 0.160 17995 8990 1 20 . 1 1 51 51 VAL C C 29 176.612 176.612 175.736 0.876 17995 8991 1 20 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.052 -0.604 17995 8992 1 20 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.703 -0.478 17995 8993 1 20 . 1 1 51 51 VAL H H 29 8.505 8.505 8.675 -0.170 17995 8994 1 20 . 1 1 52 52 LEU N N 30 126.014 126.014 125.223 0.791 17995 8995 1 20 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.678 0.117 17995 8996 1 20 . 1 1 52 52 LEU C C 30 176.569 176.569 176.692 -0.123 17995 8997 1 20 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.473 -0.941 17995 8998 1 20 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.037 -2.033 17995 8999 1 20 . 1 1 52 52 LEU H H 30 7.954 7.954 8.433 -0.479 17995 9000 1 20 . 1 1 53 53 LEU N N 31 122.601 122.601 120.550 2.051 17995 9001 1 20 . 1 1 53 53 LEU HA H 31 4.086 4.086 4.079 0.007 17995 9002 1 20 . 1 1 53 53 LEU C C 31 177.683 177.683 177.705 -0.022 17995 9003 1 20 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.591 0.783 17995 9004 1 20 . 1 1 53 53 LEU CB C 31 41.819 41.819 42.353 -0.534 17995 9005 1 20 . 1 1 53 53 LEU H H 31 7.777 7.777 8.006 -0.229 17995 9006 1 20 . 1 1 54 54 GLY N N 32 114.941 114.941 115.152 -0.211 17995 9007 1 20 . 1 1 54 54 GLY C C 32 173.612 173.612 173.951 -0.339 17995 9008 1 20 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.758 -0.200 17995 9009 1 20 . 1 1 54 54 GLY H H 32 9.121 9.121 9.165 -0.044 17995 9010 1 20 . 1 1 55 55 ASN N N 33 117.901 117.901 119.761 -1.860 17995 9011 1 20 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.791 0.139 17995 9012 1 20 . 1 1 55 55 ASN C C 33 174.458 174.458 176.077 -1.619 17995 9013 1 20 . 1 1 55 55 ASN CA C 33 53.819 53.819 53.736 0.083 17995 9014 1 20 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.802 1.745 17995 9015 1 20 . 1 1 55 55 ASN H H 33 7.789 7.789 7.745 0.044 17995 9016 1 20 . 1 1 56 56 ILE N N 34 120.163 120.163 123.451 -3.288 17995 9017 1 20 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.274 0.263 17995 9018 1 20 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.677 -0.676 17995 9019 1 20 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.487 1.606 17995 9020 1 20 . 1 1 56 56 ILE H H 34 7.703 7.703 8.071 -0.368 17995 9021 1 20 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.440 -0.267 17995 9022 1 20 . 1 1 57 57 PRO C C 35 177.969 177.969 176.559 1.410 17995 9023 1 20 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.191 1.085 17995 9024 1 20 . 1 1 57 57 PRO CB C 35 31.934 31.934 31.969 -0.035 17995 9025 1 20 . 1 1 58 58 GLU N N 36 116.701 116.701 116.816 -0.115 17995 9026 1 20 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.407 -0.435 17995 9027 1 20 . 1 1 58 58 GLU C C 36 176.612 176.612 175.817 0.795 17995 9028 1 20 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.730 3.617 17995 9029 1 20 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.690 0.142 17995 9030 1 20 . 1 1 58 58 GLU H H 36 9.581 9.581 8.559 1.022 17995 9031 1 20 . 1 1 59 59 LEU N N 37 121.189 121.189 124.082 -2.893 17995 9032 1 20 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.416 -0.104 17995 9033 1 20 . 1 1 59 59 LEU C C 37 173.353 173.353 175.525 -2.172 17995 9034 1 20 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.682 -1.404 17995 9035 1 20 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.414 0.585 17995 9036 1 20 . 1 1 59 59 LEU H H 37 7.560 7.560 7.287 0.273 17995 9037 1 20 . 1 1 60 60 ASP N N 38 126.468 126.468 124.232 2.236 17995 9038 1 20 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.766 -0.051 17995 9039 1 20 . 1 1 60 60 ASP C C 38 175.828 175.828 176.856 -1.028 17995 9040 1 20 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.250 -1.330 17995 9041 1 20 . 1 1 60 60 ASP CB C 38 41.556 41.556 44.404 -2.848 17995 9042 1 20 . 1 1 60 60 ASP H H 38 7.527 7.527 7.570 -0.043 17995 9043 1 20 . 1 1 61 61 SER N N 39 113.128 113.128 115.765 -2.637 17995 9044 1 20 . 1 1 61 61 SER HA H 39 4.019 4.019 4.195 -0.176 17995 9045 1 20 . 1 1 61 61 SER C C 39 175.854 175.854 176.845 -0.991 17995 9046 1 20 . 1 1 61 61 SER CA C 39 61.276 61.276 61.638 -0.362 17995 9047 1 20 . 1 1 61 61 SER CB C 39 65.520 65.520 62.947 2.573 17995 9048 1 20 . 1 1 61 61 SER H H 39 8.623 8.623 8.524 0.099 17995 9049 1 20 . 1 1 62 62 MET N N 40 121.706 121.706 119.267 2.439 17995 9050 1 20 . 1 1 62 62 MET HA H 40 4.303 4.303 4.332 -0.029 17995 9051 1 20 . 1 1 62 62 MET C C 40 177.755 177.755 177.920 -0.165 17995 9052 1 20 . 1 1 62 62 MET CA C 40 57.714 57.714 56.561 1.153 17995 9053 1 20 . 1 1 62 62 MET CB C 40 32.386 32.386 31.413 0.973 17995 9054 1 20 . 1 1 62 62 MET H H 40 7.802 7.802 8.527 -0.725 17995 9055 1 20 . 1 1 63 63 ALA N N 41 124.277 124.277 121.747 2.530 17995 9056 1 20 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.182 -0.011 17995 9057 1 20 . 1 1 63 63 ALA C C 41 179.893 179.893 179.707 0.186 17995 9058 1 20 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.765 0.336 17995 9059 1 20 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.631 2.025 17995 9060 1 20 . 1 1 63 63 ALA H H 41 8.295 8.295 8.280 0.015 17995 9061 1 20 . 1 1 64 64 VAL N N 42 118.186 118.186 115.975 2.211 17995 9062 1 20 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.447 -0.454 17995 9063 1 20 . 1 1 64 64 VAL C C 42 177.327 177.327 177.370 -0.043 17995 9064 1 20 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.886 1.426 17995 9065 1 20 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.437 -0.245 17995 9066 1 20 . 1 1 64 64 VAL H H 42 8.019 8.019 7.788 0.231 17995 9067 1 20 . 1 1 65 65 VAL N N 43 118.361 118.361 120.987 -2.626 17995 9068 1 20 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.527 0.037 17995 9069 1 20 . 1 1 65 65 VAL C C 43 178.520 178.520 178.075 0.445 17995 9070 1 20 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.641 -0.084 17995 9071 1 20 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.037 0.463 17995 9072 1 20 . 1 1 65 65 VAL H H 43 6.942 6.942 7.385 -0.443 17995 9073 1 20 . 1 1 66 66 ASN N N 44 119.476 119.476 118.315 1.161 17995 9074 1 20 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.498 0.064 17995 9075 1 20 . 1 1 66 66 ASN C C 44 178.760 178.760 178.044 0.716 17995 9076 1 20 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.237 -0.401 17995 9077 1 20 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.428 -0.621 17995 9078 1 20 . 1 1 66 66 ASN H H 44 7.789 7.789 8.069 -0.280 17995 9079 1 20 . 1 1 67 67 VAL N N 45 124.029 124.029 116.697 7.332 17995 9080 1 20 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.921 -0.303 17995 9081 1 20 . 1 1 67 67 VAL C C 45 177.100 177.100 177.858 -0.758 17995 9082 1 20 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.947 1.419 17995 9083 1 20 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.599 -0.139 17995 9084 1 20 . 1 1 67 67 VAL H H 45 9.055 9.055 7.619 1.436 17995 9085 1 20 . 1 1 68 68 ILE N N 46 121.006 121.006 121.833 -0.827 17995 9086 1 20 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.795 -0.007 17995 9087 1 20 . 1 1 68 68 ILE C C 46 177.871 177.871 177.993 -0.122 17995 9088 1 20 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.636 -0.374 17995 9089 1 20 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.489 -1.322 17995 9090 1 20 . 1 1 68 68 ILE H H 46 8.509 8.509 7.807 0.702 17995 9091 1 20 . 1 1 69 69 THR N N 47 116.096 116.096 115.876 0.220 17995 9092 1 20 . 1 1 69 69 THR HA H 47 4.391 4.391 3.931 0.460 17995 9093 1 20 . 1 1 69 69 THR C C 47 176.365 176.365 176.322 0.043 17995 9094 1 20 . 1 1 69 69 THR CA C 47 66.256 66.256 66.725 -0.469 17995 9095 1 20 . 1 1 69 69 THR CB C 47 69.098 69.098 68.337 0.761 17995 9096 1 20 . 1 1 69 69 THR H H 47 8.512 8.512 7.933 0.579 17995 9097 1 20 . 1 1 70 70 ALA N N 48 123.948 123.948 124.385 -0.437 17995 9098 1 20 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.212 0.091 17995 9099 1 20 . 1 1 70 70 ALA C C 48 181.452 181.452 179.862 1.590 17995 9100 1 20 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.246 -0.063 17995 9101 1 20 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.225 1.197 17995 9102 1 20 . 1 1 70 70 ALA H H 48 7.802 7.802 7.908 -0.106 17995 9103 1 20 . 1 1 71 71 LEU N N 49 121.199 121.199 119.776 1.423 17995 9104 1 20 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.334 -0.111 17995 9105 1 20 . 1 1 71 71 LEU C C 49 178.192 178.192 179.584 -1.392 17995 9106 1 20 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.669 -0.108 17995 9107 1 20 . 1 1 71 71 LEU CB C 49 42.451 42.451 41.063 1.388 17995 9108 1 20 . 1 1 71 71 LEU H H 49 8.802 8.802 8.269 0.533 17995 9109 1 20 . 1 1 72 72 GLU N N 50 119.782 119.782 118.269 1.513 17995 9110 1 20 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.080 -0.590 17995 9111 1 20 . 1 1 72 72 GLU C C 50 180.303 180.303 179.566 0.737 17995 9112 1 20 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.078 0.773 17995 9113 1 20 . 1 1 72 72 GLU CB C 50 31.108 31.108 28.909 2.199 17995 9114 1 20 . 1 1 72 72 GLU H H 50 8.762 8.762 7.988 0.774 17995 9115 1 20 . 1 1 73 73 GLU N N 51 116.902 116.902 118.716 -1.814 17995 9116 1 20 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.084 -0.032 17995 9117 1 20 . 1 1 73 73 GLU C C 51 178.334 178.334 178.978 -0.644 17995 9118 1 20 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.710 -0.092 17995 9119 1 20 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.382 0.700 17995 9120 1 20 . 1 1 73 73 GLU H H 51 7.953 7.953 7.875 0.078 17995 9121 1 20 . 1 1 74 74 TYR N N 52 119.999 119.999 117.050 2.949 17995 9122 1 20 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.300 -0.418 17995 9123 1 20 . 1 1 74 74 TYR C C 52 177.384 177.384 178.180 -0.796 17995 9124 1 20 . 1 1 74 74 TYR CA C 52 61.600 61.600 61.089 0.511 17995 9125 1 20 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.640 1.005 17995 9126 1 20 . 1 1 74 74 TYR H H 52 8.078 8.078 8.111 -0.033 17995 9127 1 20 . 1 1 75 75 PHE N N 53 113.650 113.650 114.973 -1.323 17995 9128 1 20 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.499 -0.313 17995 9129 1 20 . 1 1 75 75 PHE C C 53 174.485 174.485 175.735 -1.250 17995 9130 1 20 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.641 -0.397 17995 9131 1 20 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.534 0.506 17995 9132 1 20 . 1 1 75 75 PHE H H 53 8.244 8.244 8.144 0.100 17995 9133 1 20 . 1 1 76 76 ASP N N 54 119.712 119.712 117.983 1.729 17995 9134 1 20 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.574 -0.194 17995 9135 1 20 . 1 1 76 76 ASP C C 54 174.118 174.118 175.467 -1.349 17995 9136 1 20 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.592 -0.729 17995 9137 1 20 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.188 -0.032 17995 9138 1 20 . 1 1 76 76 ASP H H 54 7.596 7.596 8.246 -0.650 17995 9139 1 20 . 1 1 77 77 PHE N N 55 113.804 113.804 116.721 -2.917 17995 9140 1 20 . 1 1 77 77 PHE HA H 55 5.075 5.075 5.008 0.067 17995 9141 1 20 . 1 1 77 77 PHE C C 55 174.384 174.384 173.568 0.816 17995 9142 1 20 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.527 -1.091 17995 9143 1 20 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.669 -0.038 17995 9144 1 20 . 1 1 77 77 PHE H H 55 7.725 7.725 8.101 -0.376 17995 9145 1 20 . 1 1 78 78 SER N N 56 114.319 114.319 114.913 -0.594 17995 9146 1 20 . 1 1 78 78 SER HA H 56 5.149 5.149 4.805 0.344 17995 9147 1 20 . 1 1 78 78 SER C C 56 174.100 174.100 173.120 0.980 17995 9148 1 20 . 1 1 78 78 SER CA C 56 56.800 56.800 56.608 0.192 17995 9149 1 20 . 1 1 78 78 SER CB C 56 65.011 65.011 63.688 1.323 17995 9150 1 20 . 1 1 78 78 SER H H 56 8.727 8.727 8.232 0.495 17995 9151 1 20 . 1 1 79 79 VAL N N 57 128.316 128.316 128.224 0.092 17995 9152 1 20 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.762 0.482 17995 9153 1 20 . 1 1 79 79 VAL C C 57 175.637 175.637 175.234 0.403 17995 9154 1 20 . 1 1 79 79 VAL CA C 57 61.754 61.754 63.275 -1.521 17995 9155 1 20 . 1 1 79 79 VAL CB C 57 32.873 32.873 31.904 0.969 17995 9156 1 20 . 1 1 79 79 VAL H H 57 10.222 10.222 7.998 2.224 17995 9157 1 20 . 1 1 80 80 ASP N N 58 130.058 130.058 126.499 3.559 17995 9158 1 20 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.529 0.317 17995 9159 1 20 . 1 1 80 80 ASP C C 58 177.205 177.205 176.739 0.466 17995 9160 1 20 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.106 -0.630 17995 9161 1 20 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.570 -0.905 17995 9162 1 20 . 1 1 80 80 ASP H H 58 9.396 9.396 8.101 1.295 17995 9163 1 20 . 1 1 81 81 ASP N N 59 122.564 122.564 123.576 -1.012 17995 9164 1 20 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.343 -0.063 17995 9165 1 20 . 1 1 81 81 ASP C C 59 177.291 177.291 177.692 -0.401 17995 9166 1 20 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.977 0.483 17995 9167 1 20 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.030 -0.300 17995 9168 1 20 . 1 1 81 81 ASP H H 59 8.696 8.696 8.706 -0.010 17995 9169 1 20 . 1 1 82 82 ASP N N 60 115.817 115.817 119.042 -3.225 17995 9170 1 20 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.518 0.041 17995 9171 1 20 . 1 1 82 82 ASP C C 60 176.939 176.939 177.120 -0.181 17995 9172 1 20 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.104 -1.243 17995 9173 1 20 . 1 1 82 82 ASP CB C 60 40.415 40.415 40.860 -0.445 17995 9174 1 20 . 1 1 82 82 ASP H H 60 8.460 8.460 8.171 0.289 17995 9175 1 20 . 1 1 83 83 GLU N N 61 118.478 118.478 116.224 2.254 17995 9176 1 20 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.429 -0.128 17995 9177 1 20 . 1 1 83 83 GLU C C 61 175.841 175.841 175.492 0.349 17995 9178 1 20 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.413 0.892 17995 9179 1 20 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.419 1.072 17995 9180 1 20 . 1 1 83 83 GLU H H 61 7.903 7.903 7.629 0.274 17995 9181 1 20 . 1 1 84 84 ILE N N 62 117.759 117.759 122.398 -4.639 17995 9182 1 20 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.871 0.294 17995 9183 1 20 . 1 1 84 84 ILE C C 62 174.069 174.069 175.021 -0.952 17995 9184 1 20 . 1 1 84 84 ILE CA C 62 59.494 59.494 61.808 -2.314 17995 9185 1 20 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.667 1.468 17995 9186 1 20 . 1 1 84 84 ILE H H 62 7.396 7.396 7.286 0.110 17995 9187 1 20 . 1 1 85 85 SER N N 63 119.980 119.980 122.575 -2.595 17995 9188 1 20 . 1 1 85 85 SER HA H 63 4.789 4.789 4.674 0.115 17995 9189 1 20 . 1 1 85 85 SER CA C 63 56.772 56.772 56.913 -0.140 17995 9190 1 20 . 1 1 85 85 SER CB C 63 66.916 66.916 65.864 1.052 17995 9191 1 20 . 1 1 85 85 SER H H 63 8.384 8.384 8.397 -0.013 17995 9192 1 20 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.260 -0.233 17995 9193 1 20 . 1 1 86 86 ALA C C 64 180.211 180.211 179.680 0.531 17995 9194 1 20 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.849 0.652 17995 9195 1 20 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.494 -0.484 17995 9196 1 20 . 1 1 87 87 GLN N N 65 116.123 116.123 113.870 2.253 17995 9197 1 20 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.237 -0.172 17995 9198 1 20 . 1 1 87 87 GLN C C 65 178.564 178.564 177.061 1.503 17995 9199 1 20 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.422 1.317 17995 9200 1 20 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.483 0.960 17995 9201 1 20 . 1 1 87 87 GLN H H 65 7.990 7.990 8.582 -0.592 17995 9202 1 20 . 1 1 88 88 THR N N 66 119.153 119.153 115.435 3.718 17995 9203 1 20 . 1 1 88 88 THR HA H 66 3.631 3.631 4.253 -0.622 17995 9204 1 20 . 1 1 88 88 THR C C 66 174.748 174.748 174.966 -0.218 17995 9205 1 20 . 1 1 88 88 THR CA C 66 66.591 66.591 65.041 1.550 17995 9206 1 20 . 1 1 88 88 THR CB C 66 68.702 68.702 68.972 -0.270 17995 9207 1 20 . 1 1 88 88 THR H H 66 7.738 7.738 7.440 0.298 17995 9208 1 20 . 1 1 89 89 PHE N N 67 115.088 115.088 117.515 -2.427 17995 9209 1 20 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.728 -0.491 17995 9210 1 20 . 1 1 89 89 PHE C C 67 173.600 173.600 176.198 -2.598 17995 9211 1 20 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.141 0.382 17995 9212 1 20 . 1 1 89 89 PHE CB C 67 39.706 39.706 39.410 0.296 17995 9213 1 20 . 1 1 89 89 PHE H H 67 7.180 7.180 7.638 -0.458 17995 9214 1 20 . 1 1 90 90 GLU N N 68 122.222 122.222 119.425 2.797 17995 9215 1 20 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.121 0.046 17995 9216 1 20 . 1 1 90 90 GLU C C 68 178.581 178.581 177.052 1.529 17995 9217 1 20 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.194 1.532 17995 9218 1 20 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.982 0.766 17995 9219 1 20 . 1 1 90 90 GLU H H 68 7.421 7.421 7.966 -0.545 17995 9220 1 20 . 1 1 91 91 THR N N 69 106.383 106.383 108.587 -2.204 17995 9221 1 20 . 1 1 91 91 THR HA H 69 5.477 5.477 4.803 0.674 17995 9222 1 20 . 1 1 91 91 THR C C 69 174.775 174.775 174.397 0.378 17995 9223 1 20 . 1 1 91 91 THR CA C 69 58.798 58.798 59.514 -0.716 17995 9224 1 20 . 1 1 91 91 THR CB C 69 74.841 74.841 72.908 1.933 17995 9225 1 20 . 1 1 91 91 THR H H 69 8.534 8.534 7.398 1.136 17995 9226 1 20 . 1 1 92 92 LEU N N 70 120.326 120.326 122.805 -2.479 17995 9227 1 20 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.113 0.030 17995 9228 1 20 . 1 1 92 92 LEU C C 70 178.174 178.174 178.140 0.034 17995 9229 1 20 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.771 0.495 17995 9230 1 20 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.009 -1.139 17995 9231 1 20 . 1 1 92 92 LEU H H 70 7.991 7.991 8.457 -0.466 17995 9232 1 20 . 1 1 93 93 GLY N N 71 106.588 106.588 105.046 1.542 17995 9233 1 20 . 1 1 93 93 GLY C C 71 175.300 175.300 176.008 -0.708 17995 9234 1 20 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.383 -0.046 17995 9235 1 20 . 1 1 93 93 GLY H H 71 9.019 9.019 8.330 0.689 17995 9236 1 20 . 1 1 94 94 SER N N 72 120.200 120.200 118.517 1.683 17995 9237 1 20 . 1 1 94 94 SER HA H 72 4.090 4.090 4.183 -0.093 17995 9238 1 20 . 1 1 94 94 SER C C 72 177.631 177.631 176.370 1.261 17995 9239 1 20 . 1 1 94 94 SER CA C 72 62.329 62.329 61.939 0.390 17995 9240 1 20 . 1 1 94 94 SER H H 72 8.709 8.709 7.425 1.284 17995 9241 1 20 . 1 1 95 95 LEU N N 73 129.169 129.169 121.749 7.420 17995 9242 1 20 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.998 0.242 17995 9243 1 20 . 1 1 95 95 LEU C C 73 176.439 176.439 179.115 -2.676 17995 9244 1 20 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.179 0.623 17995 9245 1 20 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.027 1.832 17995 9246 1 20 . 1 1 95 95 LEU H H 73 7.800 7.800 7.396 0.404 17995 9247 1 20 . 1 1 96 96 ALA N N 74 121.721 121.721 122.348 -0.627 17995 9248 1 20 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.908 0.081 17995 9249 1 20 . 1 1 96 96 ALA C C 74 180.456 180.456 179.832 0.624 17995 9250 1 20 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.224 0.478 17995 9251 1 20 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.299 -0.583 17995 9252 1 20 . 1 1 96 96 ALA H H 74 8.612 8.612 8.084 0.528 17995 9253 1 20 . 1 1 97 97 LEU N N 75 122.095 122.095 118.909 3.186 17995 9254 1 20 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.867 0.190 17995 9255 1 20 . 1 1 97 97 LEU C C 75 178.805 178.805 179.173 -0.368 17995 9256 1 20 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.267 0.502 17995 9257 1 20 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.396 1.426 17995 9258 1 20 . 1 1 97 97 LEU H H 75 8.777 8.777 7.812 0.965 17995 9259 1 20 . 1 1 98 98 PHE N N 76 122.741 122.741 118.106 4.635 17995 9260 1 20 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.005 0.257 17995 9261 1 20 . 1 1 98 98 PHE C C 76 176.878 176.878 178.603 -1.725 17995 9262 1 20 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.205 -0.973 17995 9263 1 20 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.440 0.109 17995 9264 1 20 . 1 1 98 98 PHE H H 76 7.889 7.889 7.748 0.141 17995 9265 1 20 . 1 1 99 99 VAL N N 77 119.641 119.641 114.951 4.690 17995 9266 1 20 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.437 -0.659 17995 9267 1 20 . 1 1 99 99 VAL C C 77 176.414 176.414 177.446 -1.032 17995 9268 1 20 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.879 1.089 17995 9269 1 20 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.977 0.209 17995 9270 1 20 . 1 1 99 99 VAL H H 77 7.599 7.599 8.364 -0.765 17995 9271 1 20 . 1 1 100 100 GLU N N 78 118.850 118.850 122.124 -3.274 17995 9272 1 20 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.166 -0.393 17995 9273 1 20 . 1 1 100 100 GLU C C 78 179.007 179.007 179.048 -0.041 17995 9274 1 20 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.459 0.081 17995 9275 1 20 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.055 0.723 17995 9276 1 20 . 1 1 100 100 GLU H H 78 7.740 7.740 8.047 -0.307 17995 9277 1 20 . 1 1 101 101 HIS N N 79 120.328 120.328 116.173 4.155 17995 9278 1 20 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.443 -0.242 17995 9279 1 20 . 1 1 101 101 HIS C C 79 178.242 178.242 177.757 0.485 17995 9280 1 20 . 1 1 101 101 HIS CA C 79 59.238 59.238 57.563 1.675 17995 9281 1 20 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.973 -0.035 17995 9282 1 20 . 1 1 101 101 HIS H H 79 8.354 8.354 7.529 0.825 17995 9283 1 20 . 1 1 102 102 LYS N N 80 121.044 121.044 119.238 1.806 17995 9284 1 20 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.232 -0.665 17995 9285 1 20 . 1 1 102 102 LYS C C 80 179.199 179.199 178.709 0.490 17995 9286 1 20 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.063 -1.076 17995 9287 1 20 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.469 -2.293 17995 9288 1 20 . 1 1 102 102 LYS H H 80 7.908 7.908 7.744 0.164 17995 9289 1 20 . 1 1 103 103 LEU N N 81 118.698 118.698 119.620 -0.922 17995 9290 1 20 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.241 -0.083 17995 9291 1 20 . 1 1 103 103 LEU C C 81 178.593 178.593 178.595 -0.002 17995 9292 1 20 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.911 0.485 17995 9293 1 20 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.029 2.280 17995 9294 1 20 . 1 1 103 103 LEU H H 81 7.784 7.784 7.995 -0.211 17995 9295 1 20 . 1 1 104 104 SER N N 82 114.826 114.826 114.385 0.441 17995 9296 1 20 . 1 1 104 104 SER HA H 82 4.358 4.358 4.314 0.044 17995 9297 1 20 . 1 1 104 104 SER C C 82 174.810 174.810 175.231 -0.421 17995 9298 1 20 . 1 1 104 104 SER CA C 82 59.567 59.567 60.356 -0.789 17995 9299 1 20 . 1 1 104 104 SER CB C 82 63.859 63.859 63.353 0.506 17995 9300 1 20 . 1 1 104 104 SER H H 82 7.738 7.738 7.906 -0.168 17995 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 77 2.529 -0.459 2.503 17995 2 1 1 "Average Difference" HA 85 0.306 0.051 0.304 17995 3 1 1 "Average Difference" C 77 0.963 0.149 0.958 17995 4 1 1 "Average Difference" CA 81 0.983 -0.170 0.974 17995 5 1 1 "Average Difference" CB 76 1.054 -0.279 1.023 17995 6 1 1 "Average Difference" HN 77 0.618 -0.196 0.590 17995 7 1 2 "Average Difference" N 77 2.722 -0.428 2.706 17995 8 1 2 "Average Difference" HA 85 0.296 0.052 0.293 17995 9 1 2 "Average Difference" C 77 0.972 0.183 0.961 17995 10 1 2 "Average Difference" CA 81 1.028 -0.155 1.023 17995 11 1 2 "Average Difference" CB 76 0.996 -0.367 0.932 17995 12 1 2 "Average Difference" HN 77 0.609 -0.213 0.574 17995 13 1 3 "Average Difference" N 77 2.815 -0.448 2.797 17995 14 1 3 "Average Difference" HA 85 0.264 0.033 0.263 17995 15 1 3 "Average Difference" C 77 1.013 0.177 1.004 17995 16 1 3 "Average Difference" CA 81 0.978 -0.111 0.977 17995 17 1 3 "Average Difference" CB 76 1.021 -0.284 0.987 17995 18 1 3 "Average Difference" HN 77 0.588 -0.190 0.559 17995 19 1 4 "Average Difference" N 77 2.919 -0.296 2.923 17995 20 1 4 "Average Difference" HA 85 0.295 0.026 0.296 17995 21 1 4 "Average Difference" C 77 0.928 0.132 0.925 17995 22 1 4 "Average Difference" CA 81 1.050 -0.229 1.031 17995 23 1 4 "Average Difference" CB 76 1.116 -0.358 1.064 17995 24 1 4 "Average Difference" HN 77 0.588 -0.208 0.554 17995 25 1 5 "Average Difference" N 77 2.683 -0.472 2.659 17995 26 1 5 "Average Difference" HA 85 0.295 0.020 0.296 17995 27 1 5 "Average Difference" C 77 0.990 0.183 0.979 17995 28 1 5 "Average Difference" CA 81 1.014 -0.117 1.013 17995 29 1 5 "Average Difference" CB 76 1.045 -0.280 1.013 17995 30 1 5 "Average Difference" HN 77 0.573 -0.180 0.547 17995 31 1 6 "Average Difference" N 77 2.773 -0.345 2.769 17995 32 1 6 "Average Difference" HA 85 0.277 0.045 0.275 17995 33 1 6 "Average Difference" C 77 0.937 0.119 0.936 17995 34 1 6 "Average Difference" CA 81 1.019 -0.156 1.013 17995 35 1 6 "Average Difference" CB 76 1.058 -0.287 1.025 17995 36 1 6 "Average Difference" HN 77 0.574 -0.202 0.541 17995 37 1 7 "Average Difference" N 77 2.852 -0.426 2.838 17995 38 1 7 "Average Difference" HA 85 0.275 0.036 0.275 17995 39 1 7 "Average Difference" C 77 0.999 0.146 0.995 17995 40 1 7 "Average Difference" CA 81 0.973 -0.099 0.974 17995 41 1 7 "Average Difference" CB 76 1.084 -0.343 1.035 17995 42 1 7 "Average Difference" HN 77 0.603 -0.192 0.575 17995 43 1 8 "Average Difference" N 77 2.777 -0.187 2.789 17995 44 1 8 "Average Difference" HA 85 0.282 0.029 0.282 17995 45 1 8 "Average Difference" C 77 1.018 0.141 1.015 17995 46 1 8 "Average Difference" CA 81 0.954 -0.179 0.942 17995 47 1 8 "Average Difference" CB 76 1.066 -0.336 1.018 17995 48 1 8 "Average Difference" HN 77 0.584 -0.220 0.544 17995 49 1 9 "Average Difference" N 77 2.835 -0.456 2.816 17995 50 1 9 "Average Difference" HA 85 0.287 0.027 0.288 17995 51 1 9 "Average Difference" C 77 0.930 0.128 0.927 17995 52 1 9 "Average Difference" CA 81 1.067 -0.131 1.065 17995 53 1 9 "Average Difference" CB 76 1.177 -0.384 1.120 17995 54 1 9 "Average Difference" HN 77 0.598 -0.215 0.562 17995 55 1 10 "Average Difference" N 77 2.566 -0.322 2.562 17995 56 1 10 "Average Difference" HA 85 0.305 0.029 0.305 17995 57 1 10 "Average Difference" C 77 0.935 0.200 0.919 17995 58 1 10 "Average Difference" CA 81 0.959 -0.125 0.957 17995 59 1 10 "Average Difference" CB 76 1.069 -0.374 1.008 17995 60 1 10 "Average Difference" HN 77 0.565 -0.208 0.528 17995 61 1 11 "Average Difference" N 77 2.810 -0.313 2.811 17995 62 1 11 "Average Difference" HA 85 0.295 0.026 0.295 17995 63 1 11 "Average Difference" C 77 1.004 0.164 0.997 17995 64 1 11 "Average Difference" CA 81 0.999 -0.130 0.997 17995 65 1 11 "Average Difference" CB 76 1.087 -0.338 1.040 17995 66 1 11 "Average Difference" HN 77 0.583 -0.193 0.554 17995 67 1 12 "Average Difference" N 77 2.999 -0.348 2.998 17995 68 1 12 "Average Difference" HA 85 0.297 0.033 0.297 17995 69 1 12 "Average Difference" C 77 1.007 0.115 1.007 17995 70 1 12 "Average Difference" CA 81 1.061 -0.199 1.049 17995 71 1 12 "Average Difference" CB 76 1.100 -0.338 1.054 17995 72 1 12 "Average Difference" HN 77 0.616 -0.199 0.586 17995 73 1 13 "Average Difference" N 77 2.767 -0.334 2.765 17995 74 1 13 "Average Difference" HA 85 0.292 0.027 0.292 17995 75 1 13 "Average Difference" C 77 0.946 0.149 0.940 17995 76 1 13 "Average Difference" CA 81 0.978 -0.159 0.971 17995 77 1 13 "Average Difference" CB 76 1.052 -0.283 1.020 17995 78 1 13 "Average Difference" HN 77 0.566 -0.185 0.538 17995 79 1 14 "Average Difference" N 77 2.527 -0.417 2.509 17995 80 1 14 "Average Difference" HA 85 0.283 0.034 0.283 17995 81 1 14 "Average Difference" C 77 0.978 0.160 0.971 17995 82 1 14 "Average Difference" CA 81 1.040 -0.208 1.025 17995 83 1 14 "Average Difference" CB 76 1.013 -0.334 0.963 17995 84 1 14 "Average Difference" HN 77 0.608 -0.223 0.569 17995 85 1 15 "Average Difference" N 77 2.801 -0.482 2.777 17995 86 1 15 "Average Difference" HA 85 0.284 0.032 0.284 17995 87 1 15 "Average Difference" C 77 1.023 0.140 1.020 17995 88 1 15 "Average Difference" CA 81 1.042 -0.190 1.031 17995 89 1 15 "Average Difference" CB 76 1.074 -0.317 1.033 17995 90 1 15 "Average Difference" HN 77 0.591 -0.235 0.546 17995 91 1 16 "Average Difference" N 77 2.923 -0.455 2.907 17995 92 1 16 "Average Difference" HA 85 0.300 0.039 0.300 17995 93 1 16 "Average Difference" C 77 1.013 0.100 1.015 17995 94 1 16 "Average Difference" CA 81 0.962 -0.161 0.954 17995 95 1 16 "Average Difference" CB 76 1.049 -0.369 0.989 17995 96 1 16 "Average Difference" HN 77 0.618 -0.211 0.585 17995 97 1 17 "Average Difference" N 77 2.703 -0.526 2.669 17995 98 1 17 "Average Difference" HA 85 0.291 0.037 0.291 17995 99 1 17 "Average Difference" C 77 0.966 0.166 0.958 17995 100 1 17 "Average Difference" CA 81 1.076 -0.163 1.071 17995 101 1 17 "Average Difference" CB 76 1.062 -0.337 1.014 17995 102 1 17 "Average Difference" HN 77 0.610 -0.205 0.578 17995 103 1 18 "Average Difference" N 77 2.689 -0.216 2.698 17995 104 1 18 "Average Difference" HA 85 0.317 0.042 0.316 17995 105 1 18 "Average Difference" C 77 0.954 0.132 0.951 17995 106 1 18 "Average Difference" CA 81 0.999 -0.112 0.999 17995 107 1 18 "Average Difference" CB 76 1.108 -0.347 1.059 17995 108 1 18 "Average Difference" HN 77 0.599 -0.165 0.580 17995 109 1 19 "Average Difference" N 77 2.871 -0.279 2.876 17995 110 1 19 "Average Difference" HA 85 0.277 0.025 0.278 17995 111 1 19 "Average Difference" C 77 0.945 0.155 0.939 17995 112 1 19 "Average Difference" CA 81 1.019 -0.240 0.996 17995 113 1 19 "Average Difference" CB 76 1.087 -0.338 1.040 17995 114 1 19 "Average Difference" HN 77 0.597 -0.224 0.556 17995 115 1 20 "Average Difference" N 77 2.725 -0.359 2.719 17995 116 1 20 "Average Difference" HA 85 0.291 0.044 0.290 17995 117 1 20 "Average Difference" C 77 0.954 0.127 0.952 17995 118 1 20 "Average Difference" CA 81 0.976 -0.160 0.969 17995 119 1 20 "Average Difference" CB 76 1.091 -0.301 1.056 17995 120 1 20 "Average Difference" HN 77 0.610 -0.195 0.581 17995 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 17995 _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 24 24 GLN N N 2 121.730 121.730 122.215 -0.485 17995 2 1 . 1 1 24 24 GLN HA H 2 3.962 3.962 4.338 -0.376 17995 3 1 . 1 1 24 24 GLN C C 2 177.291 177.291 177.602 -0.311 17995 4 1 . 1 1 24 24 GLN CA C 2 58.391 58.391 57.481 0.910 17995 5 1 . 1 1 24 24 GLN CB C 2 28.710 28.710 29.189 -0.479 17995 6 1 . 1 1 24 24 GLN H H 2 8.511 8.511 9.077 -0.566 17995 7 1 . 1 1 25 25 HIS N N 3 116.878 116.878 120.080 -3.202 17995 8 1 . 1 1 25 25 HIS HA H 3 5.103 5.103 4.639 0.464 17995 9 1 . 1 1 25 25 HIS C C 3 175.501 175.501 177.390 -1.889 17995 10 1 . 1 1 25 25 HIS CA C 3 56.347 56.347 57.883 -1.536 17995 11 1 . 1 1 25 25 HIS CB C 3 30.627 30.627 29.925 0.702 17995 12 1 . 1 1 25 25 HIS H H 3 8.216 8.216 8.343 -0.127 17995 13 1 . 1 1 26 26 LEU N N 4 121.540 121.540 119.207 2.333 17995 14 1 . 1 1 26 26 LEU HA H 4 3.693 3.693 4.118 -0.425 17995 15 1 . 1 1 26 26 LEU C C 4 177.649 177.649 178.305 -0.656 17995 16 1 . 1 1 26 26 LEU CA C 4 59.703 59.703 58.164 1.539 17995 17 1 . 1 1 26 26 LEU CB C 4 42.335 42.335 41.228 1.107 17995 18 1 . 1 1 26 26 LEU H H 4 7.447 7.447 8.111 -0.664 17995 19 1 . 1 1 27 27 GLU N N 5 118.441 118.441 120.142 -1.701 17995 20 1 . 1 1 27 27 GLU HA H 5 3.891 3.891 3.944 -0.053 17995 21 1 . 1 1 27 27 GLU C C 5 178.162 178.162 178.299 -0.137 17995 22 1 . 1 1 27 27 GLU CA C 5 59.622 59.622 59.232 0.390 17995 23 1 . 1 1 27 27 GLU CB C 5 29.077 29.077 29.325 -0.248 17995 24 1 . 1 1 27 27 GLU H H 5 8.561 8.561 7.834 0.727 17995 25 1 . 1 1 28 28 ALA N N 6 122.005 122.005 121.769 0.236 17995 26 1 . 1 1 28 28 ALA HA H 6 4.132 4.132 4.172 -0.040 17995 27 1 . 1 1 28 28 ALA C C 6 180.421 180.421 180.003 0.418 17995 28 1 . 1 1 28 28 ALA CA C 6 55.279 55.279 54.801 0.478 17995 29 1 . 1 1 28 28 ALA CB C 6 18.766 18.766 18.195 0.571 17995 30 1 . 1 1 28 28 ALA H H 6 8.205 8.205 7.843 0.362 17995 31 1 . 1 1 29 29 VAL N N 7 116.985 116.985 119.702 -2.717 17995 32 1 . 1 1 29 29 VAL HA H 7 3.509 3.509 3.693 -0.184 17995 33 1 . 1 1 29 29 VAL C C 7 177.034 177.034 177.688 -0.654 17995 34 1 . 1 1 29 29 VAL CA C 7 67.363 67.363 67.218 0.145 17995 35 1 . 1 1 29 29 VAL CB C 7 31.439 31.439 31.537 -0.098 17995 36 1 . 1 1 29 29 VAL H H 7 8.392 8.392 8.066 0.326 17995 37 1 . 1 1 30 30 ARG N N 8 121.674 121.674 119.122 2.552 17995 38 1 . 1 1 30 30 ARG HA H 8 3.664 3.664 4.030 -0.366 17995 39 1 . 1 1 30 30 ARG C C 8 177.810 177.810 178.454 -0.644 17995 40 1 . 1 1 30 30 ARG CA C 8 60.525 60.525 59.268 1.257 17995 41 1 . 1 1 30 30 ARG CB C 8 30.666 30.666 29.413 1.253 17995 42 1 . 1 1 30 30 ARG H H 8 8.784 8.784 8.299 0.485 17995 43 1 . 1 1 31 31 ASN N N 9 118.102 118.102 118.764 -0.662 17995 44 1 . 1 1 31 31 ASN HA H 9 4.284 4.284 4.522 -0.238 17995 45 1 . 1 1 31 31 ASN C C 9 177.890 177.890 177.326 0.564 17995 46 1 . 1 1 31 31 ASN CA C 9 56.254 56.254 56.104 0.150 17995 47 1 . 1 1 31 31 ASN CB C 9 37.588 37.588 38.262 -0.674 17995 48 1 . 1 1 31 31 ASN H H 9 8.144 8.144 7.912 0.232 17995 49 1 . 1 1 32 32 ILE N N 10 123.614 123.614 120.472 3.142 17995 50 1 . 1 1 32 32 ILE HA H 10 3.792 3.792 3.499 0.293 17995 51 1 . 1 1 32 32 ILE C C 10 177.810 177.810 177.783 0.027 17995 52 1 . 1 1 32 32 ILE CA C 10 65.258 65.258 65.257 0.001 17995 53 1 . 1 1 32 32 ILE CB C 10 38.734 38.734 37.935 0.799 17995 54 1 . 1 1 32 32 ILE H H 10 8.137 8.137 7.717 0.420 17995 55 1 . 1 1 33 33 LEU N N 11 119.797 119.797 119.662 0.135 17995 56 1 . 1 1 33 33 LEU HA H 11 3.786 3.786 4.024 -0.237 17995 57 1 . 1 1 33 33 LEU C C 11 179.039 179.039 179.432 -0.393 17995 58 1 . 1 1 33 33 LEU CA C 11 58.710 58.710 58.179 0.531 17995 59 1 . 1 1 33 33 LEU CB C 11 42.076 42.076 41.315 0.761 17995 60 1 . 1 1 33 33 LEU H H 11 8.637 8.637 8.387 0.250 17995 61 1 . 1 1 34 34 GLY N N 12 103.682 103.682 105.801 -2.119 17995 62 1 . 1 1 34 34 GLY C C 12 175.242 175.242 175.473 -0.231 17995 63 1 . 1 1 34 34 GLY CA C 12 47.718 47.718 46.866 0.852 17995 64 1 . 1 1 34 34 GLY H H 12 8.513 8.513 8.297 0.216 17995 65 1 . 1 1 35 35 ASP N N 13 122.235 122.235 121.745 0.490 17995 66 1 . 1 1 35 35 ASP HA H 13 4.585 4.585 4.577 0.008 17995 67 1 . 1 1 35 35 ASP C C 13 179.013 179.013 178.169 0.844 17995 68 1 . 1 1 35 35 ASP CA C 13 56.916 56.916 56.641 0.275 17995 69 1 . 1 1 35 35 ASP CB C 13 41.046 41.046 41.255 -0.209 17995 70 1 . 1 1 35 35 ASP H H 13 7.968 7.968 7.709 0.259 17995 71 1 . 1 1 36 36 VAL N N 14 120.841 120.841 119.783 1.058 17995 72 1 . 1 1 36 36 VAL HA H 14 3.677 3.677 3.839 -0.162 17995 73 1 . 1 1 36 36 VAL C C 14 177.797 177.797 177.763 0.034 17995 74 1 . 1 1 36 36 VAL CA C 14 66.004 66.004 65.593 0.411 17995 75 1 . 1 1 36 36 VAL CB C 14 32.232 32.232 32.193 0.038 17995 76 1 . 1 1 36 36 VAL H H 14 8.765 8.765 8.070 0.695 17995 77 1 . 1 1 37 37 LEU N N 15 114.630 114.630 115.698 -1.068 17995 78 1 . 1 1 37 37 LEU HA H 15 4.281 4.281 4.345 -0.064 17995 79 1 . 1 1 37 37 LEU C C 15 175.483 175.483 176.391 -0.908 17995 80 1 . 1 1 37 37 LEU CA C 15 54.170 54.170 54.549 -0.379 17995 81 1 . 1 1 37 37 LEU CB C 15 40.694 40.694 41.302 -0.608 17995 82 1 . 1 1 37 37 LEU H H 15 7.942 7.942 7.890 0.052 17995 83 1 . 1 1 38 38 ASN N N 16 116.887 116.887 116.278 0.609 17995 84 1 . 1 1 38 38 ASN HA H 16 4.534 4.534 4.523 0.011 17995 85 1 . 1 1 38 38 ASN C C 16 175.668 175.668 175.144 0.524 17995 86 1 . 1 1 38 38 ASN CA C 16 53.920 53.920 53.826 0.094 17995 87 1 . 1 1 38 38 ASN CB C 16 36.858 36.858 37.550 -0.692 17995 88 1 . 1 1 38 38 ASN H H 16 7.561 7.561 7.890 -0.329 17995 89 1 . 1 1 39 39 LEU N N 17 114.676 114.676 119.284 -4.608 17995 90 1 . 1 1 39 39 LEU HA H 17 4.070 4.070 4.261 -0.191 17995 91 1 . 1 1 39 39 LEU C C 17 178.415 178.415 178.112 0.303 17995 92 1 . 1 1 39 39 LEU CA C 17 55.744 55.744 55.776 -0.032 17995 93 1 . 1 1 39 39 LEU CB C 17 43.276 43.276 42.146 1.130 17995 94 1 . 1 1 39 39 LEU H H 17 8.233 8.233 7.969 0.264 17995 95 1 . 1 1 40 40 GLY N N 18 109.665 109.665 107.562 2.103 17995 96 1 . 1 1 40 40 GLY CA C 18 46.305 46.305 46.803 -0.498 17995 97 1 . 1 1 40 40 GLY H H 18 8.678 8.678 7.929 0.749 17995 98 1 . 1 1 41 41 GLU HA H 19 4.128 4.128 4.296 -0.168 17995 99 1 . 1 1 41 41 GLU C C 19 178.328 178.328 178.115 0.213 17995 100 1 . 1 1 41 41 GLU CA C 19 58.264 58.264 56.955 1.309 17995 101 1 . 1 1 41 41 GLU CB C 19 29.080 29.080 29.846 -0.766 17995 102 1 . 1 1 42 42 ARG N N 20 118.936 118.936 120.948 -2.012 17995 103 1 . 1 1 42 42 ARG HA H 20 4.175 4.175 4.121 0.054 17995 104 1 . 1 1 42 42 ARG C C 20 178.912 178.912 177.646 1.266 17995 105 1 . 1 1 42 42 ARG CA C 20 58.237 58.237 58.651 -0.414 17995 106 1 . 1 1 42 42 ARG CB C 20 30.056 30.056 30.250 -0.194 17995 107 1 . 1 1 42 42 ARG H H 20 7.979 7.979 7.886 0.093 17995 108 1 . 1 1 43 43 LYS N N 21 119.087 119.087 114.923 4.164 17995 109 1 . 1 1 43 43 LYS HA H 21 3.748 3.748 4.121 -0.373 17995 110 1 . 1 1 43 43 LYS C C 21 176.559 176.559 177.866 -1.307 17995 111 1 . 1 1 43 43 LYS CA C 21 59.098 59.098 58.746 0.352 17995 112 1 . 1 1 43 43 LYS CB C 21 31.981 31.981 31.578 0.403 17995 113 1 . 1 1 43 43 LYS H H 21 7.719 7.719 8.206 -0.487 17995 114 1 . 1 1 44 44 HIS N N 22 115.571 115.571 117.784 -2.213 17995 115 1 . 1 1 44 44 HIS HA H 22 4.428 4.428 4.539 -0.111 17995 116 1 . 1 1 44 44 HIS C C 22 176.288 176.288 176.107 0.181 17995 117 1 . 1 1 44 44 HIS CA C 22 57.784 57.784 58.278 -0.494 17995 118 1 . 1 1 44 44 HIS CB C 22 30.470 30.470 30.628 -0.158 17995 119 1 . 1 1 44 44 HIS H H 22 7.124 7.124 7.757 -0.633 17995 120 1 . 1 1 45 45 THR N N 23 107.890 107.890 113.419 -5.529 17995 121 1 . 1 1 45 45 THR HA H 23 4.355 4.355 4.233 0.122 17995 122 1 . 1 1 45 45 THR C C 23 174.650 174.650 174.742 -0.092 17995 123 1 . 1 1 45 45 THR CA C 23 61.627 61.627 62.554 -0.927 17995 124 1 . 1 1 45 45 THR CB C 23 69.475 69.475 69.056 0.419 17995 125 1 . 1 1 45 45 THR H H 23 7.441 7.441 7.644 -0.202 17995 126 1 . 1 1 46 46 LEU N N 24 121.435 121.435 119.391 2.044 17995 127 1 . 1 1 46 46 LEU HA H 24 4.623 4.623 4.807 -0.184 17995 128 1 . 1 1 46 46 LEU C C 24 176.537 176.537 175.472 1.065 17995 129 1 . 1 1 46 46 LEU CA C 24 54.590 54.590 53.434 1.156 17995 130 1 . 1 1 46 46 LEU CB C 24 43.117 43.117 43.173 -0.056 17995 131 1 . 1 1 46 46 LEU H H 24 7.059 7.059 7.283 -0.224 17995 132 1 . 1 1 47 47 THR N N 25 116.104 116.104 112.434 3.670 17995 133 1 . 1 1 47 47 THR HA H 25 4.605 4.605 4.571 0.034 17995 134 1 . 1 1 47 47 THR C C 25 175.526 175.526 175.595 -0.069 17995 135 1 . 1 1 47 47 THR CA C 25 59.878 59.878 59.835 0.043 17995 136 1 . 1 1 47 47 THR CB C 25 71.752 71.752 71.137 0.615 17995 137 1 . 1 1 47 47 THR H H 25 9.432 9.432 7.887 1.545 17995 138 1 . 1 1 48 48 ALA N N 26 122.234 122.234 121.603 0.631 17995 139 1 . 1 1 48 48 ALA HA H 26 3.809 3.809 4.155 -0.346 17995 140 1 . 1 1 48 48 ALA CA C 26 55.593 55.593 54.941 0.651 17995 141 1 . 1 1 48 48 ALA CB C 26 18.654 18.654 18.446 0.208 17995 142 1 . 1 1 48 48 ALA H H 26 9.142 9.142 8.579 0.563 17995 143 1 . 1 1 49 49 SER HA H 27 4.448 4.448 4.371 0.077 17995 144 1 . 1 1 49 49 SER C C 27 174.637 174.637 174.650 -0.013 17995 145 1 . 1 1 49 49 SER CA C 27 58.348 58.348 59.139 -0.790 17995 146 1 . 1 1 49 49 SER CB C 27 63.704 63.704 62.998 0.706 17995 147 1 . 1 1 50 50 SER N N 28 122.032 122.032 118.297 3.735 17995 148 1 . 1 1 50 50 SER HA H 28 4.269 4.269 4.428 -0.159 17995 149 1 . 1 1 50 50 SER C C 28 172.904 172.904 173.763 -0.859 17995 150 1 . 1 1 50 50 SER CA C 28 60.846 60.846 58.324 2.522 17995 151 1 . 1 1 50 50 SER CB C 28 63.063 63.063 63.859 -0.796 17995 152 1 . 1 1 50 50 SER H H 28 8.157 8.157 7.484 0.673 17995 153 1 . 1 1 51 51 VAL N N 29 127.079 127.079 125.884 1.195 17995 154 1 . 1 1 51 51 VAL HA H 29 4.342 4.342 4.188 0.154 17995 155 1 . 1 1 51 51 VAL C C 29 176.612 176.612 175.716 0.896 17995 156 1 . 1 1 51 51 VAL CA C 29 62.448 62.448 63.059 -0.611 17995 157 1 . 1 1 51 51 VAL CB C 29 32.225 32.225 32.433 -0.208 17995 158 1 . 1 1 51 51 VAL H H 29 8.505 8.505 8.591 -0.086 17995 159 1 . 1 1 52 52 LEU N N 30 126.014 126.014 124.452 1.562 17995 160 1 . 1 1 52 52 LEU HA H 30 4.795 4.795 4.626 0.169 17995 161 1 . 1 1 52 52 LEU C C 30 176.569 176.569 177.176 -0.607 17995 162 1 . 1 1 52 52 LEU CA C 30 54.532 54.532 55.479 -0.947 17995 163 1 . 1 1 52 52 LEU CB C 30 41.004 41.004 43.064 -2.060 17995 164 1 . 1 1 52 52 LEU H H 30 7.954 7.954 8.330 -0.376 17995 165 1 . 1 1 53 53 LEU N N 31 122.601 122.601 120.008 2.593 17995 166 1 . 1 1 53 53 LEU HA H 31 4.086 4.086 3.963 0.123 17995 167 1 . 1 1 53 53 LEU C C 31 177.683 177.683 177.857 -0.174 17995 168 1 . 1 1 53 53 LEU CA C 31 57.374 57.374 56.659 0.715 17995 169 1 . 1 1 53 53 LEU CB C 31 41.819 41.819 41.533 0.286 17995 170 1 . 1 1 53 53 LEU H H 31 7.777 7.777 7.771 0.006 17995 171 1 . 1 1 54 54 GLY N N 32 114.941 114.941 114.134 0.807 17995 172 1 . 1 1 54 54 GLY C C 32 173.612 173.612 174.404 -0.792 17995 173 1 . 1 1 54 54 GLY CA C 32 45.558 45.558 45.684 -0.126 17995 174 1 . 1 1 54 54 GLY H H 32 9.121 9.121 8.884 0.237 17995 175 1 . 1 1 55 55 ASN N N 33 117.901 117.901 120.382 -2.481 17995 176 1 . 1 1 55 55 ASN HA H 33 4.930 4.930 4.757 0.173 17995 177 1 . 1 1 55 55 ASN C C 33 174.458 174.458 176.112 -1.654 17995 178 1 . 1 1 55 55 ASN CA C 33 53.819 53.819 54.259 -0.440 17995 179 1 . 1 1 55 55 ASN CB C 33 41.547 41.547 39.518 2.029 17995 180 1 . 1 1 55 55 ASN H H 33 7.789 7.789 7.836 -0.047 17995 181 1 . 1 1 56 56 ILE N N 34 120.163 120.163 122.503 -2.340 17995 182 1 . 1 1 56 56 ILE HA H 34 4.537 4.537 4.389 0.148 17995 183 1 . 1 1 56 56 ILE CA C 34 58.001 58.001 58.035 -0.034 17995 184 1 . 1 1 56 56 ILE CB C 34 38.093 38.093 36.351 1.742 17995 185 1 . 1 1 56 56 ILE H H 34 7.703 7.703 8.009 -0.306 17995 186 1 . 1 1 57 57 PRO HA H 35 4.173 4.173 4.436 -0.263 17995 187 1 . 1 1 57 57 PRO C C 35 177.969 177.969 176.695 1.274 17995 188 1 . 1 1 57 57 PRO CA C 35 65.276 65.276 64.248 1.028 17995 189 1 . 1 1 57 57 PRO CB C 35 31.934 31.934 32.009 -0.075 17995 190 1 . 1 1 58 58 GLU N N 36 116.701 116.701 116.788 -0.087 17995 191 1 . 1 1 58 58 GLU HA H 36 3.972 3.972 4.385 -0.413 17995 192 1 . 1 1 58 58 GLU C C 36 176.612 176.612 175.797 0.815 17995 193 1 . 1 1 58 58 GLU CA C 36 59.347 59.347 55.824 3.523 17995 194 1 . 1 1 58 58 GLU CB C 36 29.832 29.832 29.512 0.320 17995 195 1 . 1 1 58 58 GLU H H 36 9.581 9.581 8.503 1.078 17995 196 1 . 1 1 59 59 LEU N N 37 121.189 121.189 123.932 -2.743 17995 197 1 . 1 1 59 59 LEU HA H 37 4.312 4.312 4.337 -0.025 17995 198 1 . 1 1 59 59 LEU C C 37 173.353 173.353 175.519 -2.166 17995 199 1 . 1 1 59 59 LEU CA C 37 53.278 53.278 54.621 -1.343 17995 200 1 . 1 1 59 59 LEU CB C 37 40.999 40.999 40.887 0.112 17995 201 1 . 1 1 59 59 LEU H H 37 7.560 7.560 7.290 0.269 17995 202 1 . 1 1 60 60 ASP N N 38 126.468 126.468 124.434 2.034 17995 203 1 . 1 1 60 60 ASP HA H 38 4.715 4.715 4.745 -0.030 17995 204 1 . 1 1 60 60 ASP C C 38 175.828 175.828 176.899 -1.071 17995 205 1 . 1 1 60 60 ASP CA C 38 51.920 51.920 53.143 -1.223 17995 206 1 . 1 1 60 60 ASP CB C 38 41.556 41.556 43.705 -2.149 17995 207 1 . 1 1 60 60 ASP H H 38 7.527 7.527 7.697 -0.170 17995 208 1 . 1 1 61 61 SER N N 39 113.128 113.128 115.953 -2.825 17995 209 1 . 1 1 61 61 SER HA H 39 4.019 4.019 4.153 -0.134 17995 210 1 . 1 1 61 61 SER C C 39 175.854 175.854 176.794 -0.940 17995 211 1 . 1 1 61 61 SER CA C 39 61.276 61.276 61.558 -0.282 17995 212 1 . 1 1 61 61 SER CB C 39 65.520 65.520 62.969 2.551 17995 213 1 . 1 1 61 61 SER H H 39 8.623 8.623 8.493 0.130 17995 214 1 . 1 1 62 62 MET N N 40 121.706 121.706 119.124 2.582 17995 215 1 . 1 1 62 62 MET HA H 40 4.303 4.303 4.280 0.023 17995 216 1 . 1 1 62 62 MET C C 40 177.755 177.755 178.093 -0.338 17995 217 1 . 1 1 62 62 MET CA C 40 57.714 57.714 56.585 1.129 17995 218 1 . 1 1 62 62 MET CB C 40 32.386 32.386 31.343 1.043 17995 219 1 . 1 1 62 62 MET H H 40 7.802 7.802 8.259 -0.457 17995 220 1 . 1 1 63 63 ALA N N 41 124.277 124.277 121.969 2.308 17995 221 1 . 1 1 63 63 ALA HA H 41 4.171 4.171 4.129 0.042 17995 222 1 . 1 1 63 63 ALA C C 41 179.893 179.893 179.460 0.433 17995 223 1 . 1 1 63 63 ALA CA C 41 55.101 55.101 54.866 0.235 17995 224 1 . 1 1 63 63 ALA CB C 41 19.656 19.656 17.897 1.759 17995 225 1 . 1 1 63 63 ALA H H 41 8.295 8.295 7.986 0.309 17995 226 1 . 1 1 64 64 VAL N N 42 118.186 118.186 115.751 2.435 17995 227 1 . 1 1 64 64 VAL HA H 42 2.993 2.993 3.417 -0.424 17995 228 1 . 1 1 64 64 VAL C C 42 177.327 177.327 177.397 -0.069 17995 229 1 . 1 1 64 64 VAL CA C 42 67.312 67.312 65.622 1.690 17995 230 1 . 1 1 64 64 VAL CB C 42 31.192 31.192 31.132 0.060 17995 231 1 . 1 1 64 64 VAL H H 42 8.019 8.019 7.637 0.382 17995 232 1 . 1 1 65 65 VAL N N 43 118.361 118.361 121.131 -2.769 17995 233 1 . 1 1 65 65 VAL HA H 43 3.564 3.564 3.480 0.084 17995 234 1 . 1 1 65 65 VAL C C 43 178.520 178.520 178.117 0.403 17995 235 1 . 1 1 65 65 VAL CA C 43 66.557 66.557 66.427 0.130 17995 236 1 . 1 1 65 65 VAL CB C 43 31.500 31.500 31.046 0.454 17995 237 1 . 1 1 65 65 VAL H H 43 6.942 6.942 7.372 -0.430 17995 238 1 . 1 1 66 66 ASN N N 44 119.476 119.476 118.401 1.075 17995 239 1 . 1 1 66 66 ASN HA H 44 4.562 4.562 4.480 0.082 17995 240 1 . 1 1 66 66 ASN C C 44 178.760 178.760 178.048 0.712 17995 241 1 . 1 1 66 66 ASN CA C 44 55.836 55.836 56.323 -0.487 17995 242 1 . 1 1 66 66 ASN CB C 44 37.807 37.807 38.363 -0.556 17995 243 1 . 1 1 66 66 ASN H H 44 7.789 7.789 7.971 -0.182 17995 244 1 . 1 1 67 67 VAL N N 45 124.029 124.029 116.792 7.237 17995 245 1 . 1 1 67 67 VAL HA H 45 3.618 3.618 3.910 -0.292 17995 246 1 . 1 1 67 67 VAL C C 45 177.100 177.100 177.821 -0.721 17995 247 1 . 1 1 67 67 VAL CA C 45 67.366 67.366 65.862 1.504 17995 248 1 . 1 1 67 67 VAL CB C 45 31.460 31.460 31.529 -0.069 17995 249 1 . 1 1 67 67 VAL H H 45 9.055 9.055 7.699 1.356 17995 250 1 . 1 1 68 68 ILE N N 46 121.006 121.006 122.253 -1.247 17995 251 1 . 1 1 68 68 ILE HA H 46 3.788 3.788 3.743 0.045 17995 252 1 . 1 1 68 68 ILE C C 46 177.871 177.871 178.025 -0.154 17995 253 1 . 1 1 68 68 ILE CA C 46 65.262 65.262 65.729 -0.467 17995 254 1 . 1 1 68 68 ILE CB C 46 36.167 36.167 37.545 -1.378 17995 255 1 . 1 1 68 68 ILE H H 46 8.509 8.509 7.840 0.669 17995 256 1 . 1 1 69 69 THR N N 47 116.096 116.096 116.282 -0.186 17995 257 1 . 1 1 69 69 THR HA H 47 4.391 4.391 3.956 0.435 17995 258 1 . 1 1 69 69 THR C C 47 176.365 176.365 176.321 0.044 17995 259 1 . 1 1 69 69 THR CA C 47 66.256 66.256 66.992 -0.737 17995 260 1 . 1 1 69 69 THR CB C 47 69.098 69.098 68.472 0.626 17995 261 1 . 1 1 69 69 THR H H 47 8.512 8.512 7.893 0.619 17995 262 1 . 1 1 70 70 ALA N N 48 123.948 123.948 124.302 -0.354 17995 263 1 . 1 1 70 70 ALA HA H 48 4.303 4.303 4.193 0.110 17995 264 1 . 1 1 70 70 ALA C C 48 181.452 181.452 179.672 1.780 17995 265 1 . 1 1 70 70 ALA CA C 48 55.183 55.183 55.262 -0.079 17995 266 1 . 1 1 70 70 ALA CB C 48 19.422 19.422 18.251 1.171 17995 267 1 . 1 1 70 70 ALA H H 48 7.802 7.802 7.922 -0.120 17995 268 1 . 1 1 71 71 LEU N N 49 121.199 121.199 119.455 1.744 17995 269 1 . 1 1 71 71 LEU HA H 49 4.223 4.223 4.180 0.043 17995 270 1 . 1 1 71 71 LEU C C 49 178.192 178.192 179.579 -1.387 17995 271 1 . 1 1 71 71 LEU CA C 49 58.561 58.561 58.280 0.281 17995 272 1 . 1 1 71 71 LEU CB C 49 42.451 42.451 40.927 1.524 17995 273 1 . 1 1 71 71 LEU H H 49 8.802 8.802 8.275 0.527 17995 274 1 . 1 1 72 72 GLU N N 50 119.782 119.782 118.555 1.227 17995 275 1 . 1 1 72 72 GLU HA H 50 3.490 3.490 4.011 -0.521 17995 276 1 . 1 1 72 72 GLU C C 50 180.303 180.303 179.668 0.635 17995 277 1 . 1 1 72 72 GLU CA C 50 59.851 59.851 59.259 0.592 17995 278 1 . 1 1 72 72 GLU CB C 50 31.108 31.108 29.008 2.100 17995 279 1 . 1 1 72 72 GLU H H 50 8.762 8.762 8.102 0.660 17995 280 1 . 1 1 73 73 GLU N N 51 116.902 116.902 119.159 -2.257 17995 281 1 . 1 1 73 73 GLU HA H 51 4.052 4.052 4.099 -0.047 17995 282 1 . 1 1 73 73 GLU C C 51 178.334 178.334 179.019 -0.685 17995 283 1 . 1 1 73 73 GLU CA C 51 58.618 58.618 58.703 -0.085 17995 284 1 . 1 1 73 73 GLU CB C 51 30.082 30.082 29.369 0.713 17995 285 1 . 1 1 73 73 GLU H H 51 7.953 7.953 7.872 0.081 17995 286 1 . 1 1 74 74 TYR N N 52 119.999 119.999 117.445 2.554 17995 287 1 . 1 1 74 74 TYR HA H 52 3.882 3.882 4.312 -0.430 17995 288 1 . 1 1 74 74 TYR C C 52 177.384 177.384 178.080 -0.696 17995 289 1 . 1 1 74 74 TYR CA C 52 61.600 61.600 60.968 0.632 17995 290 1 . 1 1 74 74 TYR CB C 52 39.645 39.645 38.684 0.961 17995 291 1 . 1 1 74 74 TYR H H 52 8.078 8.078 8.059 0.019 17995 292 1 . 1 1 75 75 PHE N N 53 113.650 113.650 115.186 -1.535 17995 293 1 . 1 1 75 75 PHE HA H 53 4.186 4.186 4.447 -0.261 17995 294 1 . 1 1 75 75 PHE C C 53 174.485 174.485 175.426 -0.942 17995 295 1 . 1 1 75 75 PHE CA C 53 59.244 59.244 59.130 0.114 17995 296 1 . 1 1 75 75 PHE CB C 53 40.040 40.040 39.180 0.860 17995 297 1 . 1 1 75 75 PHE H H 53 8.244 8.244 8.124 0.120 17995 298 1 . 1 1 76 76 ASP N N 54 119.712 119.712 117.907 1.805 17995 299 1 . 1 1 76 76 ASP HA H 54 4.380 4.380 4.500 -0.120 17995 300 1 . 1 1 76 76 ASP C C 54 174.118 174.118 175.331 -1.213 17995 301 1 . 1 1 76 76 ASP CA C 54 54.863 54.863 55.501 -0.638 17995 302 1 . 1 1 76 76 ASP CB C 54 39.156 39.156 39.283 -0.127 17995 303 1 . 1 1 76 76 ASP H H 54 7.596 7.596 8.038 -0.442 17995 304 1 . 1 1 77 77 PHE N N 55 113.804 113.804 116.052 -2.248 17995 305 1 . 1 1 77 77 PHE HA H 55 5.075 5.075 4.982 0.093 17995 306 1 . 1 1 77 77 PHE C C 55 174.384 174.384 173.570 0.814 17995 307 1 . 1 1 77 77 PHE CA C 55 54.436 54.436 55.676 -1.240 17995 308 1 . 1 1 77 77 PHE CB C 55 40.630 40.630 40.780 -0.150 17995 309 1 . 1 1 77 77 PHE H H 55 7.725 7.725 7.939 -0.214 17995 310 1 . 1 1 78 78 SER N N 56 114.319 114.319 115.541 -1.222 17995 311 1 . 1 1 78 78 SER HA H 56 5.149 5.149 4.796 0.353 17995 312 1 . 1 1 78 78 SER C C 56 174.100 174.100 173.184 0.916 17995 313 1 . 1 1 78 78 SER CA C 56 56.800 56.800 56.548 0.252 17995 314 1 . 1 1 78 78 SER CB C 56 65.011 65.011 64.179 0.832 17995 315 1 . 1 1 78 78 SER H H 56 8.727 8.727 8.272 0.455 17995 316 1 . 1 1 79 79 VAL N N 57 128.316 128.316 127.678 0.638 17995 317 1 . 1 1 79 79 VAL HA H 57 4.244 4.244 3.896 0.348 17995 318 1 . 1 1 79 79 VAL C C 57 175.637 175.637 175.441 0.196 17995 319 1 . 1 1 79 79 VAL CA C 57 61.754 61.754 62.699 -0.945 17995 320 1 . 1 1 79 79 VAL CB C 57 32.873 32.873 32.014 0.859 17995 321 1 . 1 1 79 79 VAL H H 57 10.222 10.222 8.184 2.038 17995 322 1 . 1 1 80 80 ASP N N 58 130.058 130.058 126.982 3.076 17995 323 1 . 1 1 80 80 ASP HA H 58 4.846 4.846 4.546 0.300 17995 324 1 . 1 1 80 80 ASP C C 58 177.205 177.205 176.879 0.326 17995 325 1 . 1 1 80 80 ASP CA C 58 53.476 53.476 54.271 -0.795 17995 326 1 . 1 1 80 80 ASP CB C 58 42.665 42.665 43.377 -0.712 17995 327 1 . 1 1 80 80 ASP H H 58 9.396 9.396 8.209 1.187 17995 328 1 . 1 1 81 81 ASP N N 59 122.564 122.564 124.007 -1.443 17995 329 1 . 1 1 81 81 ASP HA H 59 4.280 4.280 4.370 -0.090 17995 330 1 . 1 1 81 81 ASP C C 59 177.291 177.291 177.267 0.024 17995 331 1 . 1 1 81 81 ASP CA C 59 57.460 57.460 56.826 0.634 17995 332 1 . 1 1 81 81 ASP CB C 59 40.730 40.730 41.082 -0.352 17995 333 1 . 1 1 81 81 ASP H H 59 8.696 8.696 8.764 -0.069 17995 334 1 . 1 1 82 82 ASP N N 60 115.817 115.817 118.416 -2.599 17995 335 1 . 1 1 82 82 ASP HA H 60 4.559 4.559 4.518 0.041 17995 336 1 . 1 1 82 82 ASP C C 60 176.939 176.939 177.291 -0.352 17995 337 1 . 1 1 82 82 ASP CA C 60 54.861 54.861 56.072 -1.211 17995 338 1 . 1 1 82 82 ASP CB C 60 40.415 40.415 41.145 -0.730 17995 339 1 . 1 1 82 82 ASP H H 60 8.460 8.460 8.065 0.395 17995 340 1 . 1 1 83 83 GLU N N 61 118.478 118.478 116.982 1.496 17995 341 1 . 1 1 83 83 GLU HA H 61 4.301 4.301 4.438 -0.137 17995 342 1 . 1 1 83 83 GLU C C 61 175.841 175.841 176.607 -0.766 17995 343 1 . 1 1 83 83 GLU CA C 61 57.304 57.304 56.530 0.774 17995 344 1 . 1 1 83 83 GLU CB C 61 31.491 31.491 30.624 0.867 17995 345 1 . 1 1 83 83 GLU H H 61 7.903 7.903 7.715 0.188 17995 346 1 . 1 1 84 84 ILE N N 62 117.759 117.759 122.231 -4.472 17995 347 1 . 1 1 84 84 ILE HA H 62 4.165 4.165 3.864 0.301 17995 348 1 . 1 1 84 84 ILE C C 62 174.069 174.069 175.138 -1.069 17995 349 1 . 1 1 84 84 ILE CA C 62 59.494 59.494 62.053 -2.559 17995 350 1 . 1 1 84 84 ILE CB C 62 39.135 39.135 37.342 1.793 17995 351 1 . 1 1 84 84 ILE H H 62 7.396 7.396 7.358 0.038 17995 352 1 . 1 1 85 85 SER N N 63 119.980 119.980 121.820 -1.840 17995 353 1 . 1 1 85 85 SER HA H 63 4.789 4.789 4.720 0.069 17995 354 1 . 1 1 85 85 SER CA C 63 56.772 56.772 56.528 0.244 17995 355 1 . 1 1 85 85 SER CB C 63 66.916 66.916 65.941 0.975 17995 356 1 . 1 1 85 85 SER H H 63 8.384 8.384 8.209 0.175 17995 357 1 . 1 1 86 86 ALA HA H 64 4.027 4.027 4.300 -0.273 17995 358 1 . 1 1 86 86 ALA C C 64 180.211 180.211 179.470 0.741 17995 359 1 . 1 1 86 86 ALA CA C 64 55.501 55.501 54.756 0.745 17995 360 1 . 1 1 86 86 ALA CB C 64 18.010 18.010 18.669 -0.659 17995 361 1 . 1 1 87 87 GLN N N 65 116.123 116.123 115.106 1.017 17995 362 1 . 1 1 87 87 GLN HA H 65 4.065 4.065 4.241 -0.176 17995 363 1 . 1 1 87 87 GLN C C 65 178.564 178.564 177.346 1.218 17995 364 1 . 1 1 87 87 GLN CA C 65 58.739 58.739 57.460 1.279 17995 365 1 . 1 1 87 87 GLN CB C 65 28.443 28.443 27.915 0.528 17995 366 1 . 1 1 87 87 GLN H H 65 7.990 7.990 8.062 -0.072 17995 367 1 . 1 1 88 88 THR N N 66 119.153 119.153 115.307 3.846 17995 368 1 . 1 1 88 88 THR HA H 66 3.631 3.631 3.979 -0.348 17995 369 1 . 1 1 88 88 THR C C 66 174.748 174.748 174.798 -0.050 17995 370 1 . 1 1 88 88 THR CA C 66 66.591 66.591 65.418 1.173 17995 371 1 . 1 1 88 88 THR CB C 66 68.702 68.702 68.702 0.000 17995 372 1 . 1 1 88 88 THR H H 66 7.738 7.738 7.409 0.329 17995 373 1 . 1 1 89 89 PHE N N 67 115.088 115.088 117.152 -2.064 17995 374 1 . 1 1 89 89 PHE HA H 67 4.237 4.237 4.656 -0.419 17995 375 1 . 1 1 89 89 PHE C C 67 173.600 173.600 176.531 -2.931 17995 376 1 . 1 1 89 89 PHE CA C 67 57.522 57.522 57.538 -0.016 17995 377 1 . 1 1 89 89 PHE CB C 67 39.706 39.706 38.691 1.015 17995 378 1 . 1 1 89 89 PHE H H 67 7.180 7.180 7.557 -0.377 17995 379 1 . 1 1 90 90 GLU N N 68 122.222 122.222 119.635 2.587 17995 380 1 . 1 1 90 90 GLU HA H 68 4.167 4.167 4.102 0.065 17995 381 1 . 1 1 90 90 GLU C C 68 178.581 178.581 176.755 1.826 17995 382 1 . 1 1 90 90 GLU CA C 68 60.726 60.726 59.373 1.354 17995 383 1 . 1 1 90 90 GLU CB C 68 30.748 30.748 29.844 0.905 17995 384 1 . 1 1 90 90 GLU H H 68 7.421 7.421 7.976 -0.555 17995 385 1 . 1 1 91 91 THR N N 69 106.383 106.383 109.499 -3.117 17995 386 1 . 1 1 91 91 THR HA H 69 5.477 5.477 4.823 0.654 17995 387 1 . 1 1 91 91 THR C C 69 174.775 174.775 174.226 0.549 17995 388 1 . 1 1 91 91 THR CA C 69 58.798 58.798 59.638 -0.841 17995 389 1 . 1 1 91 91 THR CB C 69 74.841 74.841 72.239 2.602 17995 390 1 . 1 1 91 91 THR H H 69 8.534 8.534 7.310 1.224 17995 391 1 . 1 1 92 92 LEU N N 70 120.326 120.326 123.726 -3.400 17995 392 1 . 1 1 92 92 LEU HA H 70 4.143 4.143 4.116 0.027 17995 393 1 . 1 1 92 92 LEU C C 70 178.174 178.174 178.025 0.149 17995 394 1 . 1 1 92 92 LEU CA C 70 58.266 58.266 57.441 0.825 17995 395 1 . 1 1 92 92 LEU CB C 70 40.870 40.870 42.145 -1.275 17995 396 1 . 1 1 92 92 LEU H H 70 7.991 7.991 8.597 -0.606 17995 397 1 . 1 1 93 93 GLY N N 71 106.588 106.588 105.181 1.407 17995 398 1 . 1 1 93 93 GLY C C 71 175.300 175.300 176.053 -0.753 17995 399 1 . 1 1 93 93 GLY CA C 71 47.337 47.337 47.451 -0.114 17995 400 1 . 1 1 93 93 GLY H H 71 9.019 9.019 8.347 0.672 17995 401 1 . 1 1 94 94 SER N N 72 120.200 120.200 118.518 1.682 17995 402 1 . 1 1 94 94 SER HA H 72 4.090 4.090 4.259 -0.169 17995 403 1 . 1 1 94 94 SER C C 72 177.631 177.631 176.584 1.047 17995 404 1 . 1 1 94 94 SER CA C 72 62.329 62.329 61.990 0.339 17995 405 1 . 1 1 94 94 SER H H 72 8.709 8.709 7.413 1.296 17995 406 1 . 1 1 95 95 LEU N N 73 129.169 129.169 121.519 7.650 17995 407 1 . 1 1 95 95 LEU HA H 73 4.240 4.240 3.932 0.308 17995 408 1 . 1 1 95 95 LEU C C 73 176.439 176.439 178.980 -2.541 17995 409 1 . 1 1 95 95 LEU CA C 73 57.802 57.802 57.204 0.598 17995 410 1 . 1 1 95 95 LEU CB C 73 41.859 41.859 40.225 1.634 17995 411 1 . 1 1 95 95 LEU H H 73 7.800 7.800 7.432 0.368 17995 412 1 . 1 1 96 96 ALA N N 74 121.721 121.721 122.311 -0.590 17995 413 1 . 1 1 96 96 ALA HA H 74 3.989 3.989 3.972 0.017 17995 414 1 . 1 1 96 96 ALA C C 74 180.456 180.456 179.829 0.627 17995 415 1 . 1 1 96 96 ALA CA C 74 55.702 55.702 55.235 0.467 17995 416 1 . 1 1 96 96 ALA CB C 74 17.716 17.716 18.358 -0.642 17995 417 1 . 1 1 96 96 ALA H H 74 8.612 8.612 8.102 0.510 17995 418 1 . 1 1 97 97 LEU N N 75 122.095 122.095 119.165 2.930 17995 419 1 . 1 1 97 97 LEU HA H 75 4.057 4.057 3.927 0.130 17995 420 1 . 1 1 97 97 LEU C C 75 178.805 178.805 179.157 -0.352 17995 421 1 . 1 1 97 97 LEU CA C 75 57.769 57.769 57.591 0.178 17995 422 1 . 1 1 97 97 LEU CB C 75 41.822 41.822 40.456 1.366 17995 423 1 . 1 1 97 97 LEU H H 75 8.777 8.777 7.921 0.856 17995 424 1 . 1 1 98 98 PHE N N 76 122.741 122.741 118.012 4.729 17995 425 1 . 1 1 98 98 PHE HA H 76 4.262 4.262 4.020 0.242 17995 426 1 . 1 1 98 98 PHE C C 76 176.878 176.878 178.470 -1.592 17995 427 1 . 1 1 98 98 PHE CA C 76 61.232 61.232 62.335 -1.103 17995 428 1 . 1 1 98 98 PHE CB C 76 38.549 38.549 38.442 0.107 17995 429 1 . 1 1 98 98 PHE H H 76 7.889 7.889 8.019 -0.131 17995 430 1 . 1 1 99 99 VAL N N 77 119.641 119.641 115.287 4.354 17995 431 1 . 1 1 99 99 VAL HA H 77 2.778 2.778 3.529 -0.751 17995 432 1 . 1 1 99 99 VAL C C 77 176.414 176.414 177.661 -1.247 17995 433 1 . 1 1 99 99 VAL CA C 77 66.968 66.968 65.969 0.999 17995 434 1 . 1 1 99 99 VAL CB C 77 31.186 31.186 30.968 0.218 17995 435 1 . 1 1 99 99 VAL H H 77 7.599 7.599 8.187 -0.588 17995 436 1 . 1 1 100 100 GLU N N 78 118.850 118.850 121.666 -2.816 17995 437 1 . 1 1 100 100 GLU HA H 78 3.773 3.773 4.202 -0.429 17995 438 1 . 1 1 100 100 GLU C C 78 179.007 179.007 179.113 -0.106 17995 439 1 . 1 1 100 100 GLU CA C 78 59.540 59.540 59.336 0.204 17995 440 1 . 1 1 100 100 GLU CB C 78 29.778 29.778 29.032 0.746 17995 441 1 . 1 1 100 100 GLU H H 78 7.740 7.740 8.106 -0.366 17995 442 1 . 1 1 101 101 HIS N N 79 120.328 120.328 117.620 2.708 17995 443 1 . 1 1 101 101 HIS HA H 79 4.201 4.201 4.298 -0.097 17995 444 1 . 1 1 101 101 HIS C C 79 178.242 178.242 177.705 0.537 17995 445 1 . 1 1 101 101 HIS CA C 79 59.238 59.238 58.563 0.675 17995 446 1 . 1 1 101 101 HIS CB C 79 29.938 29.938 29.910 0.028 17995 447 1 . 1 1 101 101 HIS H H 79 8.354 8.354 7.821 0.533 17995 448 1 . 1 1 102 102 LYS N N 80 121.044 121.044 118.986 2.057 17995 449 1 . 1 1 102 102 LYS HA H 80 3.567 3.567 4.219 -0.652 17995 450 1 . 1 1 102 102 LYS C C 80 179.199 179.199 178.910 0.289 17995 451 1 . 1 1 102 102 LYS CA C 80 56.987 56.987 58.395 -1.408 17995 452 1 . 1 1 102 102 LYS CB C 80 30.176 30.176 32.113 -1.937 17995 453 1 . 1 1 102 102 LYS H H 80 7.908 7.908 7.863 0.045 17995 454 1 . 1 1 103 103 LEU N N 81 118.698 118.698 118.511 0.187 17995 455 1 . 1 1 103 103 LEU HA H 81 4.158 4.158 4.335 -0.177 17995 456 1 . 1 1 103 103 LEU C C 81 178.593 178.593 178.517 0.076 17995 457 1 . 1 1 103 103 LEU CA C 81 56.396 56.396 55.992 0.404 17995 458 1 . 1 1 103 103 LEU CB C 81 42.309 42.309 40.764 1.545 17995 459 1 . 1 1 103 103 LEU H H 81 7.784 7.784 7.875 -0.091 17995 460 1 . 1 1 104 104 SER N N 82 114.826 114.826 113.155 1.671 17995 461 1 . 1 1 104 104 SER HA H 82 4.358 4.358 4.431 -0.073 17995 462 1 . 1 1 104 104 SER C C 82 174.810 174.810 174.457 0.353 17995 463 1 . 1 1 104 104 SER CA C 82 59.567 59.567 59.618 -0.051 17995 464 1 . 1 1 104 104 SER CB C 82 63.859 63.859 63.792 0.067 17995 465 1 . 1 1 104 104 SER H H 82 7.738 7.738 7.874 -0.136 17995 stop_ save_